----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:58:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.207312249999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.285822920000006 0.000000000000000 c 0.000000000000000 0.000000000000000 5.221712509999999 Atomic positions (fractional): *1 O 0.04720613621694 0.25000000000000 0.33341146685620 15.999 2 O 0.45279386378306 0.75000000000000 0.83341146685620 15.999 3 O 0.95279386378306 0.75000000000000 0.66658853314380 15.999 4 O 0.54720613621694 0.25000000000000 0.16658853314380 15.999 *5 O 0.17764122062205 0.53861768886808 0.70785414914844 15.999 6 O 0.32235877937795 0.46138231113192 0.20785414914844 15.999 7 O 0.82235877937795 0.03861768886808 0.29214585085156 15.999 8 O 0.67764122062205 0.96138231113191 0.79214585085156 15.999 9 O 0.82235877937795 0.46138231113192 0.29214585085156 15.999 10 O 0.67764122062205 0.53861768886808 0.79214585085156 15.999 11 O 0.17764122062205 0.96138231113191 0.70785414914844 15.999 12 O 0.32235877937795 0.03861768886808 0.20785414914844 15.999 *13 O 0.38696404106006 0.25000000000000 0.71890665184080 15.999 14 O 0.11303595893994 0.75000000000000 0.21890665184080 15.999 15 O 0.61303595893994 0.75000000000000 0.28109334815920 15.999 16 O 0.88696404106006 0.25000000000000 0.78109334815920 15.999 *17 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 19 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *21 Ge 0.90086896299559 0.25000000000000 0.45084015062015 72.640 22 Ge 0.59913103700441 0.75000000000000 0.95084015062015 72.640 23 Ge 0.09913103700441 0.75000000000000 0.54915984937985 72.640 24 Ge 0.40086896299559 0.25000000000000 0.04915984937985 72.640 *25 Lu 0.22370030706213 0.25000000000000 0.49189710015897 174.967 26 Lu 0.27629969293787 0.75000000000000 0.99189710015897 174.967 27 Lu 0.77629969293787 0.75000000000000 0.50810289984103 174.967 28 Lu 0.72370030706213 0.25000000000000 0.00810289984103 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.207312249999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.285822919999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.221712509999999 Atomic positions (fractional): *1 O 0.04720613621694 0.25000000000000 0.33341146685620 15.999 > 1 2 O 0.45279386378306 0.75000000000000 0.83341146685620 15.999 > 2 3 O 0.95279386378306 0.75000000000000 0.66658853314380 15.999 > 3 4 O 0.54720613621694 0.25000000000000 0.16658853314380 15.999 > 4 *5 O 0.17764122062205 0.53861768886808 0.70785414914844 15.999 > 5 6 O 0.32235877937795 0.46138231113192 0.20785414914844 15.999 > 6 7 O 0.82235877937795 0.03861768886808 0.29214585085156 15.999 > 7 8 O 0.67764122062205 0.96138231113192 0.79214585085156 15.999 > 8 9 O 0.82235877937795 0.46138231113192 0.29214585085156 15.999 > 9 10 O 0.67764122062205 0.53861768886808 0.79214585085156 15.999 > 10 11 O 0.17764122062205 0.96138231113192 0.70785414914844 15.999 > 11 12 O 0.32235877937795 0.03861768886808 0.20785414914844 15.999 > 12 *13 O 0.38696404106006 0.25000000000000 0.71890665184080 15.999 > 13 14 O 0.11303595893994 0.75000000000000 0.21890665184080 15.999 > 14 15 O 0.61303595893994 0.75000000000000 0.28109334815920 15.999 > 15 16 O 0.88696404106006 0.25000000000000 0.78109334815920 15.999 > 16 *17 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 17 18 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 18 19 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 19 20 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 20 *21 Ge 0.90086896299559 0.25000000000000 0.45084015062015 72.640 > 21 22 Ge 0.59913103700441 0.75000000000000 0.95084015062015 72.640 > 22 23 Ge 0.09913103700441 0.75000000000000 0.54915984937985 72.640 > 23 24 Ge 0.40086896299559 0.25000000000000 0.04915984937985 72.640 > 24 *25 Lu 0.22370030706213 0.25000000000000 0.49189710015897 174.967 > 25 26 Lu 0.27629969293787 0.75000000000000 0.99189710015897 174.967 > 26 27 Lu 0.77629969293787 0.75000000000000 0.50810289984103 174.967 > 27 28 Lu 0.72370030706213 0.25000000000000 0.00810289984103 174.967 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.207312249999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.571645839999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.443425019999998 Atomic positions (fractional): *1 O 0.04720613621694 0.12500000000000 0.16670573342810 15.999 > 1 2 O 0.04720613621694 0.62500000000000 0.16670573342810 15.999 > 1 3 O 0.04720613621694 0.12500000000000 0.66670573342810 15.999 > 1 4 O 0.04720613621694 0.62500000000000 0.66670573342810 15.999 > 1 5 O 0.45279386378306 0.37500000000000 0.41670573342810 15.999 > 2 6 O 0.45279386378306 0.87500000000000 0.41670573342810 15.999 > 2 7 O 0.45279386378306 0.37500000000000 0.91670573342810 15.999 > 2 8 O 0.45279386378306 0.87500000000000 0.91670573342810 15.999 > 2 9 O 0.95279386378306 0.37500000000000 0.33329426657190 15.999 > 3 10 O 0.95279386378306 0.87500000000000 0.33329426657190 15.999 > 3 11 O 0.95279386378306 0.37500000000000 0.83329426657190 15.999 > 3 12 O 0.95279386378306 0.87500000000000 0.83329426657190 15.999 > 3 13 O 0.54720613621694 0.12500000000000 0.08329426657190 15.999 > 4 14 O 0.54720613621694 0.62500000000000 0.08329426657190 15.999 > 4 15 O 0.54720613621694 0.12500000000000 0.58329426657190 15.999 > 4 16 O 0.54720613621694 0.62500000000000 0.58329426657190 15.999 > 4 *17 O 0.17764122062205 0.26930884443404 0.35392707457422 15.999 > 5 18 O 0.17764122062205 0.76930884443404 0.35392707457422 15.999 > 5 19 O 0.17764122062205 0.26930884443404 0.85392707457422 15.999 > 5 20 O 0.17764122062205 0.76930884443404 0.85392707457422 15.999 > 5 21 O 0.32235877937795 0.23069115556596 0.10392707457422 15.999 > 6 22 O 0.32235877937795 0.73069115556596 0.10392707457422 15.999 > 6 23 O 0.32235877937795 0.23069115556596 0.60392707457422 15.999 > 6 24 O 0.32235877937795 0.73069115556596 0.60392707457422 15.999 > 6 25 O 0.82235877937795 0.01930884443404 0.14607292542578 15.999 > 7 26 O 0.82235877937795 0.51930884443404 0.14607292542578 15.999 > 7 27 O 0.82235877937795 0.01930884443404 0.64607292542578 15.999 > 7 28 O 0.82235877937795 0.51930884443404 0.64607292542578 15.999 > 7 29 O 0.67764122062205 0.48069115556596 0.39607292542578 15.999 > 8 30 O 0.67764122062205 0.98069115556596 0.39607292542578 15.999 > 8 31 O 0.67764122062205 0.48069115556596 0.89607292542578 15.999 > 8 32 O 0.67764122062205 0.98069115556596 0.89607292542578 15.999 > 8 33 O 0.82235877937795 0.23069115556596 0.14607292542578 15.999 > 9 34 O 0.82235877937795 0.73069115556596 0.14607292542578 15.999 > 9 35 O 0.82235877937795 0.23069115556596 0.64607292542578 15.999 > 9 36 O 0.82235877937795 0.73069115556596 0.64607292542578 15.999 > 9 37 O 0.67764122062205 0.26930884443404 0.39607292542578 15.999 > 10 38 O 0.67764122062205 0.76930884443404 0.39607292542578 15.999 > 10 39 O 0.67764122062205 0.26930884443404 0.89607292542578 15.999 > 10 40 O 0.67764122062205 0.76930884443404 0.89607292542578 15.999 > 10 41 O 0.17764122062205 0.48069115556596 0.35392707457422 15.999 > 11 42 O 0.17764122062205 0.98069115556596 0.35392707457422 15.999 > 11 43 O 0.17764122062205 0.48069115556596 0.85392707457422 15.999 > 11 44 O 0.17764122062205 0.98069115556596 0.85392707457422 15.999 > 11 45 O 0.32235877937795 0.01930884443404 0.10392707457422 15.999 > 12 46 O 0.32235877937795 0.51930884443404 0.10392707457422 15.999 > 12 47 O 0.32235877937795 0.01930884443404 0.60392707457422 15.999 > 12 48 O 0.32235877937795 0.51930884443404 0.60392707457422 15.999 > 12 *49 O 0.38696404106006 0.12500000000000 0.35945332592040 15.999 > 13 50 O 0.38696404106006 0.62500000000000 0.35945332592040 15.999 > 13 51 O 0.38696404106006 0.12500000000000 0.85945332592040 15.999 > 13 52 O 0.38696404106006 0.62500000000000 0.85945332592040 15.999 > 13 53 O 0.11303595893994 0.37500000000000 0.10945332592040 15.999 > 14 54 O 0.11303595893994 0.87500000000000 0.10945332592040 15.999 > 14 55 O 0.11303595893994 0.37500000000000 0.60945332592040 15.999 > 14 56 O 0.11303595893994 0.87500000000000 0.60945332592040 15.999 > 14 57 O 0.61303595893994 0.37500000000000 0.14054667407960 15.999 > 15 58 O 0.61303595893994 0.87500000000000 0.14054667407960 15.999 > 15 59 O 0.61303595893994 0.37500000000000 0.64054667407960 15.999 > 15 60 O 0.61303595893994 0.87500000000000 0.64054667407960 15.999 > 15 61 O 0.88696404106006 0.12500000000000 0.39054667407960 15.999 > 16 62 O 0.88696404106006 0.62500000000000 0.39054667407960 15.999 > 16 63 O 0.88696404106006 0.12500000000000 0.89054667407960 15.999 > 16 64 O 0.88696404106006 0.62500000000000 0.89054667407960 15.999 > 16 *65 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 17 66 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 17 67 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 17 68 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 17 69 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 18 70 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 18 71 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 18 72 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 18 73 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 19 74 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 19 75 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 19 76 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 19 77 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 20 78 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 20 79 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 20 80 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 20 *81 Ge 0.90086896299559 0.12500000000000 0.22542007531008 72.640 > 21 82 Ge 0.90086896299559 0.62500000000000 0.22542007531008 72.640 > 21 83 Ge 0.90086896299559 0.12500000000000 0.72542007531008 72.640 > 21 84 Ge 0.90086896299559 0.62500000000000 0.72542007531008 72.640 > 21 85 Ge 0.59913103700441 0.37500000000000 0.47542007531008 72.640 > 22 86 Ge 0.59913103700441 0.87500000000000 0.47542007531008 72.640 > 22 87 Ge 0.59913103700441 0.37500000000000 0.97542007531008 72.640 > 22 88 Ge 0.59913103700441 0.87500000000000 0.97542007531008 72.640 > 22 89 Ge 0.09913103700441 0.37500000000000 0.27457992468992 72.640 > 23 90 Ge 0.09913103700441 0.87500000000000 0.27457992468992 72.640 > 23 91 Ge 0.09913103700441 0.37500000000000 0.77457992468992 72.640 > 23 92 Ge 0.09913103700441 0.87500000000000 0.77457992468992 72.640 > 23 93 Ge 0.40086896299559 0.12500000000000 0.02457992468992 72.640 > 24 94 Ge 0.40086896299559 0.62500000000000 0.02457992468992 72.640 > 24 95 Ge 0.40086896299559 0.12500000000000 0.52457992468992 72.640 > 24 96 Ge 0.40086896299559 0.62500000000000 0.52457992468992 72.640 > 24 *97 Lu 0.22370030706213 0.12500000000000 0.24594855007949 174.967 > 25 98 Lu 0.22370030706213 0.62500000000000 0.24594855007949 174.967 > 25 99 Lu 0.22370030706213 0.12500000000000 0.74594855007949 174.967 > 25 100 Lu 0.22370030706213 0.62500000000000 0.74594855007949 174.967 > 25 101 Lu 0.27629969293787 0.37500000000000 0.49594855007949 174.967 > 26 102 Lu 0.27629969293787 0.87500000000000 0.49594855007949 174.967 > 26 103 Lu 0.27629969293787 0.37500000000000 0.99594855007949 174.967 > 26 104 Lu 0.27629969293787 0.87500000000000 0.99594855007949 174.967 > 26 105 Lu 0.77629969293787 0.37500000000000 0.25405144992051 174.967 > 27 106 Lu 0.77629969293787 0.87500000000000 0.25405144992051 174.967 > 27 107 Lu 0.77629969293787 0.37500000000000 0.75405144992051 174.967 > 27 108 Lu 0.77629969293787 0.87500000000000 0.75405144992051 174.967 > 27 109 Lu 0.72370030706213 0.12500000000000 0.00405144992051 174.967 > 28 110 Lu 0.72370030706213 0.62500000000000 0.00405144992051 174.967 > 28 111 Lu 0.72370030706213 0.12500000000000 0.50405144992051 174.967 > 28 112 Lu 0.72370030706213 0.62500000000000 0.50405144992051 174.967 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3743163 0.0000000 0.0000000 0.0000000 3.2576323 0.0000000 0.0000000 0.0000000 3.2200648 -------------------------- Born effective charges -------------------------- 1 O -3.0867618 0.0000000 -0.0717586 0.0000000 -1.4015148 0.0000000 -0.1445501 0.0000000 -1.3477140 2 O -3.0867618 0.0000000 0.0717586 0.0000000 -1.4015148 0.0000000 0.1445501 0.0000000 -1.3477140 3 O -3.0867618 0.0000000 -0.0717586 0.0000000 -1.4015148 0.0000000 -0.1445501 0.0000000 -1.3477140 4 O -3.0867618 0.0000000 0.0717586 0.0000000 -1.4015148 0.0000000 0.1445501 0.0000000 -1.3477140 5 O -1.6512199 0.2480964 -0.3164408 0.3230290 -2.5267410 -0.3760175 -0.3851813 -0.3095306 -1.8376605 6 O -1.6512199 0.2480964 0.3164408 0.3230290 -2.5267410 0.3760175 0.3851813 0.3095306 -1.8376605 7 O -1.6512199 -0.2480964 -0.3164408 -0.3230290 -2.5267410 0.3760175 -0.3851813 0.3095306 -1.8376605 8 O -1.6512199 -0.2480964 0.3164408 -0.3230290 -2.5267410 -0.3760175 0.3851813 -0.3095306 -1.8376605 9 O -1.6512199 0.2480964 -0.3164408 0.3230290 -2.5267410 -0.3760175 -0.3851813 -0.3095306 -1.8376605 10 O -1.6512199 0.2480964 0.3164408 0.3230290 -2.5267410 0.3760175 0.3851813 0.3095306 -1.8376605 11 O -1.6512199 -0.2480964 -0.3164408 -0.3230290 -2.5267410 0.3760175 -0.3851813 0.3095306 -1.8376605 12 O -1.6512199 -0.2480964 0.3164408 -0.3230290 -2.5267410 -0.3760175 0.3851813 -0.3095306 -1.8376605 13 O -1.8824032 0.0000000 -0.5414749 0.0000000 -1.3239238 0.0000000 -0.6180879 0.0000000 -2.4164769 14 O -1.8824032 0.0000000 0.5414749 0.0000000 -1.3239238 0.0000000 0.6180879 0.0000000 -2.4164769 15 O -1.8824032 0.0000000 -0.5414749 0.0000000 -1.3239238 0.0000000 -0.6180879 0.0000000 -2.4164769 16 O -1.8824032 0.0000000 0.5414749 0.0000000 -1.3239238 0.0000000 0.6180879 0.0000000 -2.4164769 17 Na 1.0405532 -0.1500038 -0.0037433 -0.0976562 0.9731927 0.0664187 0.0120663 0.0245304 1.1897736 18 Na 1.0405532 -0.1500038 0.0037433 -0.0976562 0.9731927 -0.0664187 -0.0120663 -0.0245304 1.1897736 19 Na 1.0405532 0.1500038 -0.0037433 0.0976562 0.9731927 -0.0664187 0.0120663 -0.0245304 1.1897736 20 Na 1.0405532 0.1500038 0.0037433 0.0976562 0.9731927 0.0664187 -0.0120663 0.0245304 1.1897736 21 Ge 3.2842884 0.0000000 -0.1652068 0.0000000 2.9659033 0.0000000 0.1253219 0.0000000 2.9616154 22 Ge 3.2842884 0.0000000 0.1652068 0.0000000 2.9659033 0.0000000 -0.1253219 0.0000000 2.9616154 23 Ge 3.2842884 0.0000000 -0.1652068 0.0000000 2.9659033 0.0000000 0.1253219 0.0000000 2.9616154 24 Ge 3.2842884 0.0000000 0.1652068 0.0000000 2.9659033 0.0000000 -0.1253219 0.0000000 2.9616154 25 Lu 3.9467633 0.0000000 0.1181597 0.0000000 3.8398245 0.0000000 0.1368688 0.0000000 3.2881228 26 Lu 3.9467633 0.0000000 -0.1181597 0.0000000 3.8398245 0.0000000 -0.1368688 0.0000000 3.2881228 27 Lu 3.9467633 0.0000000 0.1181597 0.0000000 3.8398245 0.0000000 0.1368688 0.0000000 3.2881228 28 Lu 3.9467633 0.0000000 -0.1181597 0.0000000 3.8398245 0.0000000 -0.1368688 0.0000000 3.2881228 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.084 Solver_block: 200 / 480 - Time: 3.181 Solver_block: 300 / 480 - Time: 3.281 Solver_block: 400 / 480 - Time: 3.269 Solver_block: 480 / 480 - Time: 2.620 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.545 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:59:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:59:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.207312249999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.285822920000006 0.000000000000000 c 0.000000000000000 0.000000000000000 5.221712509999999 Atomic positions (fractional): 1 O 0.04720613621694 0.25000000000000 0.33341146685620 15.999 2 O 0.45279386378306 0.75000000000000 0.83341146685620 15.999 3 O 0.95279386378306 0.75000000000000 0.66658853314380 15.999 4 O 0.54720613621694 0.25000000000000 0.16658853314380 15.999 5 O 0.17764122062205 0.53861768886808 0.70785414914844 15.999 6 O 0.32235877937795 0.46138231113192 0.20785414914844 15.999 7 O 0.82235877937795 0.03861768886808 0.29214585085156 15.999 8 O 0.67764122062205 0.96138231113191 0.79214585085156 15.999 9 O 0.82235877937795 0.46138231113192 0.29214585085156 15.999 10 O 0.67764122062205 0.53861768886808 0.79214585085156 15.999 11 O 0.17764122062205 0.96138231113191 0.70785414914844 15.999 12 O 0.32235877937795 0.03861768886808 0.20785414914844 15.999 13 O 0.38696404106006 0.25000000000000 0.71890665184080 15.999 14 O 0.11303595893994 0.75000000000000 0.21890665184080 15.999 15 O 0.61303595893994 0.75000000000000 0.28109334815920 15.999 16 O 0.88696404106006 0.25000000000000 0.78109334815920 15.999 17 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 19 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 21 Ge 0.90086896299559 0.25000000000000 0.45084015062015 72.640 22 Ge 0.59913103700441 0.75000000000000 0.95084015062015 72.640 23 Ge 0.09913103700441 0.75000000000000 0.54915984937985 72.640 24 Ge 0.40086896299559 0.25000000000000 0.04915984937985 72.640 25 Lu 0.22370030706213 0.25000000000000 0.49189710015897 174.967 26 Lu 0.27629969293787 0.75000000000000 0.99189710015897 174.967 27 Lu 0.77629969293787 0.75000000000000 0.50810289984103 174.967 28 Lu 0.72370030706213 0.25000000000000 0.00810289984103 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.207312249999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.571645839999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.443425019999998 Atomic positions (fractional): 1 O 0.04720613621694 0.12500000000000 0.16670573342810 15.999 > 1 2 O 0.04720613621694 0.62500000000000 0.16670573342810 15.999 > 1 3 O 0.04720613621694 0.12500000000000 0.66670573342810 15.999 > 1 4 O 0.04720613621694 0.62500000000000 0.66670573342810 15.999 > 1 5 O 0.45279386378306 0.37500000000000 0.41670573342810 15.999 > 5 6 O 0.45279386378306 0.87500000000000 0.41670573342810 15.999 > 5 7 O 0.45279386378306 0.37500000000000 0.91670573342810 15.999 > 5 8 O 0.45279386378306 0.87500000000000 0.91670573342810 15.999 > 5 9 O 0.95279386378306 0.37500000000000 0.33329426657190 15.999 > 9 10 O 0.95279386378306 0.87500000000000 0.33329426657190 15.999 > 9 11 O 0.95279386378306 0.37500000000000 0.83329426657190 15.999 > 9 12 O 0.95279386378306 0.87500000000000 0.83329426657190 15.999 > 9 13 O 0.54720613621694 0.12500000000000 0.08329426657190 15.999 > 13 14 O 0.54720613621694 0.62500000000000 0.08329426657190 15.999 > 13 15 O 0.54720613621694 0.12500000000000 0.58329426657190 15.999 > 13 16 O 0.54720613621694 0.62500000000000 0.58329426657190 15.999 > 13 17 O 0.17764122062205 0.26930884443404 0.35392707457422 15.999 > 17 18 O 0.17764122062205 0.76930884443404 0.35392707457422 15.999 > 17 19 O 0.17764122062205 0.26930884443404 0.85392707457422 15.999 > 17 20 O 0.17764122062205 0.76930884443404 0.85392707457422 15.999 > 17 21 O 0.32235877937795 0.23069115556596 0.10392707457422 15.999 > 21 22 O 0.32235877937795 0.73069115556596 0.10392707457422 15.999 > 21 23 O 0.32235877937795 0.23069115556596 0.60392707457422 15.999 > 21 24 O 0.32235877937795 0.73069115556596 0.60392707457422 15.999 > 21 25 O 0.82235877937795 0.01930884443404 0.14607292542578 15.999 > 25 26 O 0.82235877937795 0.51930884443404 0.14607292542578 15.999 > 25 27 O 0.82235877937795 0.01930884443404 0.64607292542578 15.999 > 25 28 O 0.82235877937795 0.51930884443404 0.64607292542578 15.999 > 25 29 O 0.67764122062205 0.48069115556596 0.39607292542578 15.999 > 29 30 O 0.67764122062205 0.98069115556596 0.39607292542578 15.999 > 29 31 O 0.67764122062205 0.48069115556596 0.89607292542578 15.999 > 29 32 O 0.67764122062205 0.98069115556596 0.89607292542578 15.999 > 29 33 O 0.82235877937795 0.23069115556596 0.14607292542578 15.999 > 33 34 O 0.82235877937795 0.73069115556596 0.14607292542578 15.999 > 33 35 O 0.82235877937795 0.23069115556596 0.64607292542578 15.999 > 33 36 O 0.82235877937795 0.73069115556596 0.64607292542578 15.999 > 33 37 O 0.67764122062205 0.26930884443404 0.39607292542578 15.999 > 37 38 O 0.67764122062205 0.76930884443404 0.39607292542578 15.999 > 37 39 O 0.67764122062205 0.26930884443404 0.89607292542578 15.999 > 37 40 O 0.67764122062205 0.76930884443404 0.89607292542578 15.999 > 37 41 O 0.17764122062205 0.48069115556596 0.35392707457422 15.999 > 41 42 O 0.17764122062205 0.98069115556596 0.35392707457422 15.999 > 41 43 O 0.17764122062205 0.48069115556596 0.85392707457422 15.999 > 41 44 O 0.17764122062205 0.98069115556596 0.85392707457422 15.999 > 41 45 O 0.32235877937795 0.01930884443404 0.10392707457422 15.999 > 45 46 O 0.32235877937795 0.51930884443404 0.10392707457422 15.999 > 45 47 O 0.32235877937795 0.01930884443404 0.60392707457422 15.999 > 45 48 O 0.32235877937795 0.51930884443404 0.60392707457422 15.999 > 45 49 O 0.38696404106006 0.12500000000000 0.35945332592040 15.999 > 49 50 O 0.38696404106006 0.62500000000000 0.35945332592040 15.999 > 49 51 O 0.38696404106006 0.12500000000000 0.85945332592040 15.999 > 49 52 O 0.38696404106006 0.62500000000000 0.85945332592040 15.999 > 49 53 O 0.11303595893994 0.37500000000000 0.10945332592040 15.999 > 53 54 O 0.11303595893994 0.87500000000000 0.10945332592040 15.999 > 53 55 O 0.11303595893994 0.37500000000000 0.60945332592040 15.999 > 53 56 O 0.11303595893994 0.87500000000000 0.60945332592040 15.999 > 53 57 O 0.61303595893994 0.37500000000000 0.14054667407960 15.999 > 57 58 O 0.61303595893994 0.87500000000000 0.14054667407960 15.999 > 57 59 O 0.61303595893994 0.37500000000000 0.64054667407960 15.999 > 57 60 O 0.61303595893994 0.87500000000000 0.64054667407960 15.999 > 57 61 O 0.88696404106006 0.12500000000000 0.39054667407960 15.999 > 61 62 O 0.88696404106006 0.62500000000000 0.39054667407960 15.999 > 61 63 O 0.88696404106006 0.12500000000000 0.89054667407960 15.999 > 61 64 O 0.88696404106006 0.62500000000000 0.89054667407960 15.999 > 61 65 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 65 66 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 65 67 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 65 68 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 65 69 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 69 70 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 69 71 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 69 72 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 69 73 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 73 74 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 73 75 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 73 76 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 73 77 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 77 78 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 77 79 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 77 80 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 77 81 Ge 0.90086896299559 0.12500000000000 0.22542007531008 72.640 > 81 82 Ge 0.90086896299559 0.62500000000000 0.22542007531008 72.640 > 81 83 Ge 0.90086896299559 0.12500000000000 0.72542007531008 72.640 > 81 84 Ge 0.90086896299559 0.62500000000000 0.72542007531008 72.640 > 81 85 Ge 0.59913103700441 0.37500000000000 0.47542007531008 72.640 > 85 86 Ge 0.59913103700441 0.87500000000000 0.47542007531008 72.640 > 85 87 Ge 0.59913103700441 0.37500000000000 0.97542007531008 72.640 > 85 88 Ge 0.59913103700441 0.87500000000000 0.97542007531008 72.640 > 85 89 Ge 0.09913103700441 0.37500000000000 0.27457992468992 72.640 > 89 90 Ge 0.09913103700441 0.87500000000000 0.27457992468992 72.640 > 89 91 Ge 0.09913103700441 0.37500000000000 0.77457992468992 72.640 > 89 92 Ge 0.09913103700441 0.87500000000000 0.77457992468992 72.640 > 89 93 Ge 0.40086896299559 0.12500000000000 0.02457992468992 72.640 > 93 94 Ge 0.40086896299559 0.62500000000000 0.02457992468992 72.640 > 93 95 Ge 0.40086896299559 0.12500000000000 0.52457992468992 72.640 > 93 96 Ge 0.40086896299559 0.62500000000000 0.52457992468992 72.640 > 93 97 Lu 0.22370030706213 0.12500000000000 0.24594855007949 174.967 > 97 98 Lu 0.22370030706213 0.62500000000000 0.24594855007949 174.967 > 97 99 Lu 0.22370030706213 0.12500000000000 0.74594855007949 174.967 > 97 100 Lu 0.22370030706213 0.62500000000000 0.74594855007949 174.967 > 97 101 Lu 0.27629969293787 0.37500000000000 0.49594855007949 174.967 > 101 102 Lu 0.27629969293787 0.87500000000000 0.49594855007949 174.967 > 101 103 Lu 0.27629969293787 0.37500000000000 0.99594855007949 174.967 > 101 104 Lu 0.27629969293787 0.87500000000000 0.99594855007949 174.967 > 101 105 Lu 0.77629969293787 0.37500000000000 0.25405144992051 174.967 > 105 106 Lu 0.77629969293787 0.87500000000000 0.25405144992051 174.967 > 105 107 Lu 0.77629969293787 0.37500000000000 0.75405144992051 174.967 > 105 108 Lu 0.77629969293787 0.87500000000000 0.75405144992051 174.967 > 105 109 Lu 0.72370030706213 0.12500000000000 0.00405144992051 174.967 > 109 110 Lu 0.72370030706213 0.62500000000000 0.00405144992051 174.967 > 109 111 Lu 0.72370030706213 0.12500000000000 0.50405144992051 174.967 > 109 112 Lu 0.72370030706213 0.62500000000000 0.50405144992051 174.967 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3743163 0.0000000 0.0000000 0.0000000 3.2576323 0.0000000 0.0000000 0.0000000 3.2200648 -------------------------- Born effective charges -------------------------- 1 O -3.0867618 0.0000000 -0.0717586 0.0000000 -1.4015148 0.0000000 -0.1445501 0.0000000 -1.3477140 2 O -3.0867618 0.0000000 0.0717586 0.0000000 -1.4015148 0.0000000 0.1445501 0.0000000 -1.3477140 3 O -3.0867618 0.0000000 -0.0717586 0.0000000 -1.4015148 0.0000000 -0.1445501 0.0000000 -1.3477140 4 O -3.0867618 0.0000000 0.0717586 0.0000000 -1.4015148 0.0000000 0.1445501 0.0000000 -1.3477140 5 O -1.6512199 0.2480964 -0.3164408 0.3230290 -2.5267410 -0.3760175 -0.3851813 -0.3095306 -1.8376605 6 O -1.6512199 0.2480964 0.3164408 0.3230290 -2.5267410 0.3760175 0.3851813 0.3095306 -1.8376605 7 O -1.6512199 -0.2480964 -0.3164408 -0.3230290 -2.5267410 0.3760175 -0.3851813 0.3095306 -1.8376605 8 O -1.6512199 -0.2480964 0.3164408 -0.3230290 -2.5267410 -0.3760175 0.3851813 -0.3095306 -1.8376605 9 O -1.6512199 0.2480964 -0.3164408 0.3230290 -2.5267410 -0.3760175 -0.3851813 -0.3095306 -1.8376605 10 O -1.6512199 0.2480964 0.3164408 0.3230290 -2.5267410 0.3760175 0.3851813 0.3095306 -1.8376605 11 O -1.6512199 -0.2480964 -0.3164408 -0.3230290 -2.5267410 0.3760175 -0.3851813 0.3095306 -1.8376605 12 O -1.6512199 -0.2480964 0.3164408 -0.3230290 -2.5267410 -0.3760175 0.3851813 -0.3095306 -1.8376605 13 O -1.8824032 0.0000000 -0.5414749 0.0000000 -1.3239238 0.0000000 -0.6180879 0.0000000 -2.4164769 14 O -1.8824032 0.0000000 0.5414749 0.0000000 -1.3239238 0.0000000 0.6180879 0.0000000 -2.4164769 15 O -1.8824032 0.0000000 -0.5414749 0.0000000 -1.3239238 0.0000000 -0.6180879 0.0000000 -2.4164769 16 O -1.8824032 0.0000000 0.5414749 0.0000000 -1.3239238 0.0000000 0.6180879 0.0000000 -2.4164769 17 Na 1.0405532 -0.1500038 -0.0037433 -0.0976562 0.9731927 0.0664187 0.0120663 0.0245304 1.1897736 18 Na 1.0405532 -0.1500038 0.0037433 -0.0976562 0.9731927 -0.0664187 -0.0120663 -0.0245304 1.1897736 19 Na 1.0405532 0.1500038 -0.0037433 0.0976562 0.9731927 -0.0664187 0.0120663 -0.0245304 1.1897736 20 Na 1.0405532 0.1500038 0.0037433 0.0976562 0.9731927 0.0664187 -0.0120663 0.0245304 1.1897736 21 Ge 3.2842884 0.0000000 -0.1652068 0.0000000 2.9659033 0.0000000 0.1253219 0.0000000 2.9616154 22 Ge 3.2842884 0.0000000 0.1652068 0.0000000 2.9659033 0.0000000 -0.1253219 0.0000000 2.9616154 23 Ge 3.2842884 0.0000000 -0.1652068 0.0000000 2.9659033 0.0000000 0.1253219 0.0000000 2.9616154 24 Ge 3.2842884 0.0000000 0.1652068 0.0000000 2.9659033 0.0000000 -0.1253219 0.0000000 2.9616154 25 Lu 3.9467633 0.0000000 0.1181597 0.0000000 3.8398245 0.0000000 0.1368688 0.0000000 3.2881228 26 Lu 3.9467633 0.0000000 -0.1181597 0.0000000 3.8398245 0.0000000 -0.1368688 0.0000000 3.2881228 27 Lu 3.9467633 0.0000000 0.1181597 0.0000000 3.8398245 0.0000000 0.1368688 0.0000000 3.2881228 28 Lu 3.9467633 0.0000000 -0.1181597 0.0000000 3.8398245 0.0000000 -0.1368688 0.0000000 3.2881228 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000007 (xxx) -0.00000007 (xxx) -0.00000007 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (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 2026-01-07 21:59:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:59:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.207312249999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.285822920000006 0.000000000000000 c 0.000000000000000 0.000000000000000 5.221712509999999 Atomic positions (fractional): 1 O 0.04720613621694 0.25000000000000 0.33341146685620 15.999 2 O 0.45279386378306 0.75000000000000 0.83341146685620 15.999 3 O 0.95279386378306 0.75000000000000 0.66658853314380 15.999 4 O 0.54720613621694 0.25000000000000 0.16658853314380 15.999 5 O 0.17764122062205 0.53861768886808 0.70785414914844 15.999 6 O 0.32235877937795 0.46138231113192 0.20785414914844 15.999 7 O 0.82235877937795 0.03861768886808 0.29214585085156 15.999 8 O 0.67764122062205 0.96138231113191 0.79214585085156 15.999 9 O 0.82235877937795 0.46138231113192 0.29214585085156 15.999 10 O 0.67764122062205 0.53861768886808 0.79214585085156 15.999 11 O 0.17764122062205 0.96138231113191 0.70785414914844 15.999 12 O 0.32235877937795 0.03861768886808 0.20785414914844 15.999 13 O 0.38696404106006 0.25000000000000 0.71890665184080 15.999 14 O 0.11303595893994 0.75000000000000 0.21890665184080 15.999 15 O 0.61303595893994 0.75000000000000 0.28109334815920 15.999 16 O 0.88696404106006 0.25000000000000 0.78109334815920 15.999 17 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 19 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 21 Ge 0.90086896299559 0.25000000000000 0.45084015062015 72.640 22 Ge 0.59913103700441 0.75000000000000 0.95084015062015 72.640 23 Ge 0.09913103700441 0.75000000000000 0.54915984937985 72.640 24 Ge 0.40086896299559 0.25000000000000 0.04915984937985 72.640 25 Lu 0.22370030706213 0.25000000000000 0.49189710015897 174.967 26 Lu 0.27629969293787 0.75000000000000 0.99189710015897 174.967 27 Lu 0.77629969293787 0.75000000000000 0.50810289984103 174.967 28 Lu 0.72370030706213 0.25000000000000 0.00810289984103 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.207312249999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.571645839999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.443425019999998 Atomic positions (fractional): 1 O 0.04720613621694 0.12500000000000 0.16670573342810 15.999 > 1 2 O 0.04720613621694 0.62500000000000 0.16670573342810 15.999 > 1 3 O 0.04720613621694 0.12500000000000 0.66670573342810 15.999 > 1 4 O 0.04720613621694 0.62500000000000 0.66670573342810 15.999 > 1 5 O 0.45279386378306 0.37500000000000 0.41670573342810 15.999 > 5 6 O 0.45279386378306 0.87500000000000 0.41670573342810 15.999 > 5 7 O 0.45279386378306 0.37500000000000 0.91670573342810 15.999 > 5 8 O 0.45279386378306 0.87500000000000 0.91670573342810 15.999 > 5 9 O 0.95279386378306 0.37500000000000 0.33329426657190 15.999 > 9 10 O 0.95279386378306 0.87500000000000 0.33329426657190 15.999 > 9 11 O 0.95279386378306 0.37500000000000 0.83329426657190 15.999 > 9 12 O 0.95279386378306 0.87500000000000 0.83329426657190 15.999 > 9 13 O 0.54720613621694 0.12500000000000 0.08329426657190 15.999 > 13 14 O 0.54720613621694 0.62500000000000 0.08329426657190 15.999 > 13 15 O 0.54720613621694 0.12500000000000 0.58329426657190 15.999 > 13 16 O 0.54720613621694 0.62500000000000 0.58329426657190 15.999 > 13 17 O 0.17764122062205 0.26930884443404 0.35392707457422 15.999 > 17 18 O 0.17764122062205 0.76930884443404 0.35392707457422 15.999 > 17 19 O 0.17764122062205 0.26930884443404 0.85392707457422 15.999 > 17 20 O 0.17764122062205 0.76930884443404 0.85392707457422 15.999 > 17 21 O 0.32235877937795 0.23069115556596 0.10392707457422 15.999 > 21 22 O 0.32235877937795 0.73069115556596 0.10392707457422 15.999 > 21 23 O 0.32235877937795 0.23069115556596 0.60392707457422 15.999 > 21 24 O 0.32235877937795 0.73069115556596 0.60392707457422 15.999 > 21 25 O 0.82235877937795 0.01930884443404 0.14607292542578 15.999 > 25 26 O 0.82235877937795 0.51930884443404 0.14607292542578 15.999 > 25 27 O 0.82235877937795 0.01930884443404 0.64607292542578 15.999 > 25 28 O 0.82235877937795 0.51930884443404 0.64607292542578 15.999 > 25 29 O 0.67764122062205 0.48069115556596 0.39607292542578 15.999 > 29 30 O 0.67764122062205 0.98069115556596 0.39607292542578 15.999 > 29 31 O 0.67764122062205 0.48069115556596 0.89607292542578 15.999 > 29 32 O 0.67764122062205 0.98069115556596 0.89607292542578 15.999 > 29 33 O 0.82235877937795 0.23069115556596 0.14607292542578 15.999 > 33 34 O 0.82235877937795 0.73069115556596 0.14607292542578 15.999 > 33 35 O 0.82235877937795 0.23069115556596 0.64607292542578 15.999 > 33 36 O 0.82235877937795 0.73069115556596 0.64607292542578 15.999 > 33 37 O 0.67764122062205 0.26930884443404 0.39607292542578 15.999 > 37 38 O 0.67764122062205 0.76930884443404 0.39607292542578 15.999 > 37 39 O 0.67764122062205 0.26930884443404 0.89607292542578 15.999 > 37 40 O 0.67764122062205 0.76930884443404 0.89607292542578 15.999 > 37 41 O 0.17764122062205 0.48069115556596 0.35392707457422 15.999 > 41 42 O 0.17764122062205 0.98069115556596 0.35392707457422 15.999 > 41 43 O 0.17764122062205 0.48069115556596 0.85392707457422 15.999 > 41 44 O 0.17764122062205 0.98069115556596 0.85392707457422 15.999 > 41 45 O 0.32235877937795 0.01930884443404 0.10392707457422 15.999 > 45 46 O 0.32235877937795 0.51930884443404 0.10392707457422 15.999 > 45 47 O 0.32235877937795 0.01930884443404 0.60392707457422 15.999 > 45 48 O 0.32235877937795 0.51930884443404 0.60392707457422 15.999 > 45 49 O 0.38696404106006 0.12500000000000 0.35945332592040 15.999 > 49 50 O 0.38696404106006 0.62500000000000 0.35945332592040 15.999 > 49 51 O 0.38696404106006 0.12500000000000 0.85945332592040 15.999 > 49 52 O 0.38696404106006 0.62500000000000 0.85945332592040 15.999 > 49 53 O 0.11303595893994 0.37500000000000 0.10945332592040 15.999 > 53 54 O 0.11303595893994 0.87500000000000 0.10945332592040 15.999 > 53 55 O 0.11303595893994 0.37500000000000 0.60945332592040 15.999 > 53 56 O 0.11303595893994 0.87500000000000 0.60945332592040 15.999 > 53 57 O 0.61303595893994 0.37500000000000 0.14054667407960 15.999 > 57 58 O 0.61303595893994 0.87500000000000 0.14054667407960 15.999 > 57 59 O 0.61303595893994 0.37500000000000 0.64054667407960 15.999 > 57 60 O 0.61303595893994 0.87500000000000 0.64054667407960 15.999 > 57 61 O 0.88696404106006 0.12500000000000 0.39054667407960 15.999 > 61 62 O 0.88696404106006 0.62500000000000 0.39054667407960 15.999 > 61 63 O 0.88696404106006 0.12500000000000 0.89054667407960 15.999 > 61 64 O 0.88696404106006 0.62500000000000 0.89054667407960 15.999 > 61 65 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 65 66 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 65 67 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 65 68 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 65 69 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 69 70 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 69 71 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 69 72 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 69 73 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 73 74 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 73 75 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 73 76 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 73 77 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 77 78 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 77 79 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 77 80 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 77 81 Ge 0.90086896299559 0.12500000000000 0.22542007531008 72.640 > 81 82 Ge 0.90086896299559 0.62500000000000 0.22542007531008 72.640 > 81 83 Ge 0.90086896299559 0.12500000000000 0.72542007531008 72.640 > 81 84 Ge 0.90086896299559 0.62500000000000 0.72542007531008 72.640 > 81 85 Ge 0.59913103700441 0.37500000000000 0.47542007531008 72.640 > 85 86 Ge 0.59913103700441 0.87500000000000 0.47542007531008 72.640 > 85 87 Ge 0.59913103700441 0.37500000000000 0.97542007531008 72.640 > 85 88 Ge 0.59913103700441 0.87500000000000 0.97542007531008 72.640 > 85 89 Ge 0.09913103700441 0.37500000000000 0.27457992468992 72.640 > 89 90 Ge 0.09913103700441 0.87500000000000 0.27457992468992 72.640 > 89 91 Ge 0.09913103700441 0.37500000000000 0.77457992468992 72.640 > 89 92 Ge 0.09913103700441 0.87500000000000 0.77457992468992 72.640 > 89 93 Ge 0.40086896299559 0.12500000000000 0.02457992468992 72.640 > 93 94 Ge 0.40086896299559 0.62500000000000 0.02457992468992 72.640 > 93 95 Ge 0.40086896299559 0.12500000000000 0.52457992468992 72.640 > 93 96 Ge 0.40086896299559 0.62500000000000 0.52457992468992 72.640 > 93 97 Lu 0.22370030706213 0.12500000000000 0.24594855007949 174.967 > 97 98 Lu 0.22370030706213 0.62500000000000 0.24594855007949 174.967 > 97 99 Lu 0.22370030706213 0.12500000000000 0.74594855007949 174.967 > 97 100 Lu 0.22370030706213 0.62500000000000 0.74594855007949 174.967 > 97 101 Lu 0.27629969293787 0.37500000000000 0.49594855007949 174.967 > 101 102 Lu 0.27629969293787 0.87500000000000 0.49594855007949 174.967 > 101 103 Lu 0.27629969293787 0.37500000000000 0.99594855007949 174.967 > 101 104 Lu 0.27629969293787 0.87500000000000 0.99594855007949 174.967 > 101 105 Lu 0.77629969293787 0.37500000000000 0.25405144992051 174.967 > 105 106 Lu 0.77629969293787 0.87500000000000 0.25405144992051 174.967 > 105 107 Lu 0.77629969293787 0.37500000000000 0.75405144992051 174.967 > 105 108 Lu 0.77629969293787 0.87500000000000 0.75405144992051 174.967 > 105 109 Lu 0.72370030706213 0.12500000000000 0.00405144992051 174.967 > 109 110 Lu 0.72370030706213 0.62500000000000 0.00405144992051 174.967 > 109 111 Lu 0.72370030706213 0.12500000000000 0.50405144992051 174.967 > 109 112 Lu 0.72370030706213 0.62500000000000 0.50405144992051 174.967 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3743163 0.0000000 0.0000000 0.0000000 3.2576323 0.0000000 0.0000000 0.0000000 3.2200648 -------------------------- Born effective charges -------------------------- 1 O -3.0867618 0.0000000 -0.0717586 0.0000000 -1.4015148 0.0000000 -0.1445501 0.0000000 -1.3477140 2 O -3.0867618 0.0000000 0.0717586 0.0000000 -1.4015148 0.0000000 0.1445501 0.0000000 -1.3477140 3 O -3.0867618 0.0000000 -0.0717586 0.0000000 -1.4015148 0.0000000 -0.1445501 0.0000000 -1.3477140 4 O -3.0867618 0.0000000 0.0717586 0.0000000 -1.4015148 0.0000000 0.1445501 0.0000000 -1.3477140 5 O -1.6512199 0.2480964 -0.3164408 0.3230290 -2.5267410 -0.3760175 -0.3851813 -0.3095306 -1.8376605 6 O -1.6512199 0.2480964 0.3164408 0.3230290 -2.5267410 0.3760175 0.3851813 0.3095306 -1.8376605 7 O -1.6512199 -0.2480964 -0.3164408 -0.3230290 -2.5267410 0.3760175 -0.3851813 0.3095306 -1.8376605 8 O -1.6512199 -0.2480964 0.3164408 -0.3230290 -2.5267410 -0.3760175 0.3851813 -0.3095306 -1.8376605 9 O -1.6512199 0.2480964 -0.3164408 0.3230290 -2.5267410 -0.3760175 -0.3851813 -0.3095306 -1.8376605 10 O -1.6512199 0.2480964 0.3164408 0.3230290 -2.5267410 0.3760175 0.3851813 0.3095306 -1.8376605 11 O -1.6512199 -0.2480964 -0.3164408 -0.3230290 -2.5267410 0.3760175 -0.3851813 0.3095306 -1.8376605 12 O -1.6512199 -0.2480964 0.3164408 -0.3230290 -2.5267410 -0.3760175 0.3851813 -0.3095306 -1.8376605 13 O -1.8824032 0.0000000 -0.5414749 0.0000000 -1.3239238 0.0000000 -0.6180879 0.0000000 -2.4164769 14 O -1.8824032 0.0000000 0.5414749 0.0000000 -1.3239238 0.0000000 0.6180879 0.0000000 -2.4164769 15 O -1.8824032 0.0000000 -0.5414749 0.0000000 -1.3239238 0.0000000 -0.6180879 0.0000000 -2.4164769 16 O -1.8824032 0.0000000 0.5414749 0.0000000 -1.3239238 0.0000000 0.6180879 0.0000000 -2.4164769 17 Na 1.0405532 -0.1500038 -0.0037433 -0.0976562 0.9731927 0.0664187 0.0120663 0.0245304 1.1897736 18 Na 1.0405532 -0.1500038 0.0037433 -0.0976562 0.9731927 -0.0664187 -0.0120663 -0.0245304 1.1897736 19 Na 1.0405532 0.1500038 -0.0037433 0.0976562 0.9731927 -0.0664187 0.0120663 -0.0245304 1.1897736 20 Na 1.0405532 0.1500038 0.0037433 0.0976562 0.9731927 0.0664187 -0.0120663 0.0245304 1.1897736 21 Ge 3.2842884 0.0000000 -0.1652068 0.0000000 2.9659033 0.0000000 0.1253219 0.0000000 2.9616154 22 Ge 3.2842884 0.0000000 0.1652068 0.0000000 2.9659033 0.0000000 -0.1253219 0.0000000 2.9616154 23 Ge 3.2842884 0.0000000 -0.1652068 0.0000000 2.9659033 0.0000000 0.1253219 0.0000000 2.9616154 24 Ge 3.2842884 0.0000000 0.1652068 0.0000000 2.9659033 0.0000000 -0.1253219 0.0000000 2.9616154 25 Lu 3.9467633 0.0000000 0.1181597 0.0000000 3.8398245 0.0000000 0.1368688 0.0000000 3.2881228 26 Lu 3.9467633 0.0000000 -0.1181597 0.0000000 3.8398245 0.0000000 -0.1368688 0.0000000 3.2881228 27 Lu 3.9467633 0.0000000 0.1181597 0.0000000 3.8398245 0.0000000 0.1368688 0.0000000 3.2881228 28 Lu 3.9467633 0.0000000 -0.1181597 0.0000000 3.8398245 0.0000000 -0.1368688 0.0000000 3.2881228 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (xxx) -0.00000007 (xxx) -0.00000007 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 8 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 285, Lambda: 0.11 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 1.820 ( 0.000 0.000 0.000) 0.000 2.063 ( 0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 0.000) 0.000 4.040 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.618 ( 0.000 0.000 0.000) 0.000 7.738 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.497 ( 0.000 0.000 0.000) 0.000 8.510 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 8.685 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 8.885 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 10.856 ( 0.000 0.000 0.000) 0.000 11.032 ( 0.000 0.000 0.000) 0.000 11.081 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 11.355 ( 0.000 0.000 0.000) 0.000 11.597 ( 0.000 0.000 0.000) 0.000 11.803 ( 0.000 0.000 0.000) 0.000 12.112 ( 0.000 0.000 0.000) 0.000 12.156 ( 0.000 0.000 0.000) 0.000 12.416 ( 0.000 0.000 0.000) 0.000 12.434 ( 0.000 0.000 0.000) 0.000 12.544 ( 0.000 0.000 0.000) 0.000 12.809 ( 0.000 0.000 0.000) 0.000 13.156 ( 0.000 0.000 0.000) 0.000 13.746 ( 0.000 0.000 0.000) 0.000 13.880 ( 0.000 0.000 0.000) 0.000 15.408 ( 0.000 0.000 0.000) 0.000 16.221 ( 0.000 0.000 0.000) 0.000 18.709 ( 0.000 0.000 0.000) 0.000 18.737 ( 0.000 0.000 0.000) 0.000 18.746 ( 0.000 0.000 0.000) 0.000 18.752 ( 0.000 0.000 0.000) 0.000 20.557 ( 0.000 0.000 0.000) 0.000 20.714 ( 0.000 0.000 0.000) 0.000 21.233 ( 0.000 0.000 0.000) 0.000 21.305 ( 0.000 0.000 0.000) 0.000 22.155 ( 0.000 0.000 0.000) 0.000 22.360 ( 0.000 0.000 0.000) 0.000 22.745 ( 0.000 0.000 0.000) 0.000 22.817 ( 0.000 0.000 0.000) 0.000 23.123 ( 0.000 0.000 0.000) 0.000 23.238 ( 0.000 0.000 0.000) 0.000 23.462 ( 0.000 0.000 0.000) 0.000 24.675 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 28.479 0.000 0.000) 28.479 0.693 ( 30.212 0.000 0.000) 30.212 1.270 ( 54.304 0.000 0.000) 54.304 1.656 ( -13.753 0.000 0.000) 13.753 1.855 ( -16.127 0.000 0.000) 16.127 2.489 ( 5.961 0.000 0.000) 5.961 2.819 ( -7.757 0.000 0.000) 7.757 3.144 ( 6.891 0.000 0.000) 6.891 3.311 ( -1.956 0.000 0.000) 1.956 3.359 ( 2.385 0.000 0.000) 2.385 3.409 ( -3.729 0.000 0.000) 3.729 3.414 ( -26.932 0.000 0.000) 26.932 3.540 ( 8.383 0.000 0.000) 8.383 3.904 ( -6.155 0.000 0.000) 6.155 4.093 ( 1.907 0.000 0.000) 1.907 4.227 ( 6.372 0.000 0.000) 6.372 4.364 ( -7.314 0.000 0.000) 7.314 4.631 ( -7.193 0.000 0.000) 7.193 4.648 ( 7.537 0.000 0.000) 7.537 4.925 ( 1.999 0.000 0.000) 1.999 4.950 ( -3.299 0.000 0.000) 3.299 4.983 ( -0.890 0.000 0.000) 0.890 5.040 ( 5.091 0.000 0.000) 5.091 5.300 ( 1.488 0.000 0.000) 1.488 5.351 ( -6.652 0.000 0.000) 6.652 5.475 ( -7.847 0.000 0.000) 7.847 5.869 ( 4.924 0.000 0.000) 4.924 5.914 ( 4.617 0.000 0.000) 4.617 6.100 ( -1.502 0.000 0.000) 1.502 6.169 ( 11.198 0.000 0.000) 11.198 6.319 ( -7.994 0.000 0.000) 7.994 6.369 ( -1.538 0.000 0.000) 1.538 6.733 ( 3.550 0.000 0.000) 3.550 7.061 ( -5.608 0.000 0.000) 5.608 7.386 ( 7.808 0.000 0.000) 7.808 7.556 ( 0.699 0.000 0.000) 0.699 7.595 ( -0.664 0.000 0.000) 0.664 7.696 ( -4.061 0.000 0.000) 4.061 7.747 ( 10.852 0.000 0.000) 10.852 8.323 ( -12.015 0.000 0.000) 12.015 8.449 ( 1.666 0.000 0.000) 1.666 8.537 ( 3.011 0.000 0.000) 3.011 8.555 ( -1.855 0.000 0.000) 1.855 8.715 ( -2.649 0.000 0.000) 2.649 8.811 ( 6.543 0.000 0.000) 6.543 8.983 ( -1.538 0.000 0.000) 1.538 8.989 ( 8.751 0.000 0.000) 8.751 9.537 ( -0.106 0.000 0.000) 0.106 9.546 ( -11.184 0.000 0.000) 11.184 9.565 ( -0.955 0.000 0.000) 0.955 10.873 ( 1.491 0.000 0.000) 1.491 10.991 ( -3.062 0.000 0.000) 3.062 11.120 ( 3.194 0.000 0.000) 3.194 11.308 ( -3.789 0.000 0.000) 3.789 11.676 ( 6.414 0.000 0.000) 6.414 11.840 ( 2.966 0.000 0.000) 2.966 12.021 ( -5.024 0.000 0.000) 5.024 12.040 ( -8.019 0.000 0.000) 8.019 12.392 ( 7.646 0.000 0.000) 7.646 12.518 ( 6.751 0.000 0.000) 6.751 12.552 ( 0.371 0.000 0.000) 0.371 12.771 ( -3.369 0.000 0.000) 3.369 13.064 ( -1.020 0.000 0.000) 1.020 13.119 ( -2.886 0.000 0.000) 2.886 13.768 ( 1.803 0.000 0.000) 1.803 13.862 ( -1.538 0.000 0.000) 1.538 16.220 ( -0.048 0.000 0.000) 0.048 16.220 ( -0.048 0.000 0.000) 0.048 18.714 ( 0.424 0.000 0.000) 0.424 18.736 ( -0.182 0.000 0.000) 0.182 18.743 ( -0.077 0.000 0.000) 0.077 18.750 ( -0.157 0.000 0.000) 0.157 20.577 ( 1.714 0.000 0.000) 1.714 20.686 ( -2.260 0.000 0.000) 2.260 21.299 ( 5.588 0.000 0.000) 5.588 21.683 ( -9.614 0.000 0.000) 9.614 22.274 ( 7.916 0.000 0.000) 7.916 22.627 ( -7.150 0.000 0.000) 7.150 22.898 ( 4.025 0.000 0.000) 4.025 23.031 ( -2.387 0.000 0.000) 2.387 23.207 ( 5.343 0.000 0.000) 5.343 23.428 ( -3.070 0.000 0.000) 3.070 24.675 ( -0.021 0.000 0.000) 0.021 24.676 ( -0.054 0.000 0.000) 0.054 ======================= Grid point 2 (3/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -22.724 0.000 0.000) 22.724 1.243 ( 22.724 0.000 0.000) 22.724 1.327 ( -25.951 0.000 0.000) 25.951 1.327 ( 25.951 0.000 0.000) 25.951 2.476 ( -48.670 0.000 0.000) 48.670 2.476 ( 48.670 0.000 0.000) 48.670 2.645 ( -7.660 0.000 0.000) 7.660 2.645 ( 7.660 0.000 0.000) 7.660 3.293 ( -6.270 0.000 0.000) 6.270 3.293 ( 6.270 0.000 0.000) 6.270 3.368 ( -1.393 0.000 0.000) 1.393 3.368 ( 1.393 0.000 0.000) 1.393 3.750 ( -8.789 0.000 0.000) 8.789 3.750 ( 8.789 0.000 0.000) 8.789 4.195 ( -6.846 0.000 0.000) 6.846 4.195 ( 6.846 0.000 0.000) 6.846 4.424 ( -10.264 0.000 0.000) 10.264 4.424 ( 10.264 0.000 0.000) 10.264 4.824 ( -7.357 0.000 0.000) 7.357 4.824 ( 7.357 0.000 0.000) 7.357 4.960 ( -1.221 0.000 0.000) 1.221 4.960 ( 1.221 0.000 0.000) 1.221 5.188 ( -7.417 0.000 0.000) 7.417 5.188 ( 7.417 0.000 0.000) 7.417 5.351 ( -3.444 0.000 0.000) 3.444 5.351 ( 3.444 0.000 0.000) 3.444 5.966 ( -2.487 0.000 0.000) 2.487 5.966 ( 2.487 0.000 0.000) 2.487 6.135 ( -6.769 0.000 0.000) 6.769 6.135 ( 6.769 0.000 0.000) 6.769 6.321 ( -3.276 0.000 0.000) 3.276 6.321 ( 3.276 0.000 0.000) 3.276 6.889 ( -8.930 0.000 0.000) 8.930 6.889 ( 8.930 0.000 0.000) 8.930 7.566 ( -7.415 0.000 0.000) 7.415 7.566 ( 7.415 0.000 0.000) 7.415 7.575 ( -0.985 0.000 0.000) 0.985 7.575 ( 0.985 0.000 0.000) 0.985 8.032 ( -13.607 0.000 0.000) 13.607 8.032 ( 13.607 0.000 0.000) 13.607 8.497 ( -2.502 0.000 0.000) 2.502 8.497 ( 2.502 0.000 0.000) 2.502 8.634 ( -4.410 0.000 0.000) 4.410 8.634 ( 4.410 0.000 0.000) 4.410 8.926 ( -3.746 0.000 0.000) 3.746 8.926 ( 3.746 0.000 0.000) 3.746 9.249 ( -13.795 0.000 0.000) 13.795 9.249 ( 13.795 0.000 0.000) 13.795 9.543 ( -0.753 0.000 0.000) 0.753 9.543 ( 0.753 0.000 0.000) 0.753 10.922 ( -2.829 0.000 0.000) 2.829 10.922 ( 2.829 0.000 0.000) 2.829 11.210 ( -4.563 0.000 0.000) 4.563 11.210 ( 4.563 0.000 0.000) 4.563 11.850 ( -8.585 0.000 0.000) 8.585 11.850 ( 8.585 0.000 0.000) 8.585 11.920 ( -4.047 0.000 0.000) 4.047 11.920 ( 4.047 0.000 0.000) 4.047 12.526 ( -3.537 0.000 0.000) 3.537 12.526 ( 3.537 0.000 0.000) 3.537 12.665 ( -5.934 0.000 0.000) 5.934 12.665 ( 5.934 0.000 0.000) 5.934 13.062 ( -1.413 0.000 0.000) 1.413 13.062 ( 1.413 0.000 0.000) 1.413 13.817 ( -2.345 0.000 0.000) 2.345 13.817 ( 2.345 0.000 0.000) 2.345 16.220 ( -0.004 0.000 0.000) 0.004 16.220 ( 0.004 0.000 0.000) 0.004 18.726 ( -0.579 0.000 0.000) 0.579 18.726 ( 0.579 0.000 0.000) 0.579 18.746 ( -0.206 0.000 0.000) 0.206 18.746 ( 0.206 0.000 0.000) 0.206 20.628 ( -2.683 0.000 0.000) 2.683 20.628 ( 2.683 0.000 0.000) 2.683 21.467 ( -9.099 0.000 0.000) 9.099 21.467 ( 9.099 0.000 0.000) 9.099 22.455 ( -8.062 0.000 0.000) 8.062 22.455 ( 8.062 0.000 0.000) 8.062 22.975 ( -2.861 0.000 0.000) 2.861 22.975 ( 2.861 0.000 0.000) 2.861 23.331 ( -5.345 0.000 0.000) 5.345 23.331 ( 5.345 0.000 0.000) 5.345 24.675 ( -0.027 0.000 0.000) 0.027 24.675 ( 0.027 0.000 0.000) 0.027 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.000 27.179 0.000) 27.179 0.603 ( 0.000 29.972 0.000) 29.972 1.006 ( 0.000 48.958 0.000) 48.958 2.047 ( 0.000 20.509 0.000) 20.509 2.114 ( 0.000 5.157 0.000) 5.157 2.462 ( 0.000 4.776 0.000) 4.776 2.968 ( 0.000 -2.272 0.000) 2.272 3.092 ( 0.000 4.120 0.000) 4.120 3.213 ( 0.000 -7.733 0.000) 7.733 3.290 ( 0.000 0.301 0.000) 0.301 3.479 ( 0.000 4.588 0.000) 4.588 3.522 ( 0.000 4.907 0.000) 4.907 3.615 ( 0.000 -8.819 0.000) 8.819 3.894 ( 0.000 -5.418 0.000) 5.418 4.156 ( 0.000 0.804 0.000) 0.804 4.259 ( 0.000 9.347 0.000) 9.347 4.496 ( 0.000 -1.538 0.000) 1.538 4.720 ( 0.000 -3.278 0.000) 3.278 4.833 ( 0.000 -4.526 0.000) 4.526 4.849 ( 0.000 -8.170 0.000) 8.170 4.866 ( 0.000 8.953 0.000) 8.953 4.904 ( 0.000 -6.655 0.000) 6.655 5.142 ( 0.000 14.488 0.000) 14.488 5.199 ( 0.000 -6.644 0.000) 6.644 5.470 ( 0.000 -11.401 0.000) 11.401 5.511 ( 0.000 6.499 0.000) 6.499 5.912 ( 0.000 7.591 0.000) 7.591 5.921 ( 0.000 5.276 0.000) 5.276 5.951 ( 0.000 0.749 0.000) 0.749 6.229 ( 0.000 9.730 0.000) 9.730 6.419 ( 0.000 3.324 0.000) 3.324 6.454 ( 0.000 0.689 0.000) 0.689 6.741 ( 0.000 4.510 0.000) 4.510 6.928 ( 0.000 -0.755 0.000) 0.755 7.215 ( 0.000 -4.872 0.000) 4.872 7.611 ( 0.000 -0.727 0.000) 0.727 7.686 ( 0.000 -5.120 0.000) 5.120 7.728 ( 0.000 10.969 0.000) 10.969 7.822 ( 0.000 -0.163 0.000) 0.163 8.055 ( 0.000 -10.951 0.000) 10.951 8.478 ( 0.000 -2.036 0.000) 2.036 8.514 ( 0.000 -6.617 0.000) 6.617 8.596 ( 0.000 5.887 0.000) 5.887 8.658 ( 0.000 -7.983 0.000) 7.983 8.666 ( 0.000 -12.508 0.000) 12.508 8.977 ( 0.000 -2.766 0.000) 2.766 9.089 ( 0.000 1.042 0.000) 1.042 9.201 ( 0.000 9.601 0.000) 9.601 9.542 ( 0.000 -1.867 0.000) 1.867 10.057 ( 0.000 4.131 0.000) 4.131 10.921 ( 0.000 5.348 0.000) 5.348 10.934 ( 0.000 -7.591 0.000) 7.591 11.131 ( 0.000 4.779 0.000) 4.779 11.351 ( 0.000 6.414 0.000) 6.414 11.383 ( 0.000 2.569 0.000) 2.569 11.714 ( 0.000 -8.839 0.000) 8.839 12.092 ( 0.000 -3.817 0.000) 3.817 12.096 ( 0.000 -1.573 0.000) 1.573 12.358 ( 0.000 -6.574 0.000) 6.574 12.427 ( 0.000 1.126 0.000) 1.126 12.583 ( 0.000 2.518 0.000) 2.518 12.880 ( 0.000 6.089 0.000) 6.089 13.078 ( 0.000 -7.571 0.000) 7.571 13.692 ( 0.000 -5.937 0.000) 5.937 13.870 ( 0.000 11.735 0.000) 11.735 13.996 ( 0.000 8.311 0.000) 8.311 15.349 ( 0.000 -5.751 0.000) 5.751 16.073 ( 0.000 -13.566 0.000) 13.566 18.832 ( 0.000 8.519 0.000) 8.519 18.838 ( 0.000 8.343 0.000) 8.343 18.873 ( 0.000 14.778 0.000) 14.778 20.502 ( 0.000 -5.481 0.000) 5.481 20.695 ( 0.000 -1.864 0.000) 1.864 21.196 ( 0.000 -3.756 0.000) 3.756 21.313 ( 0.000 0.845 0.000) 0.845 21.519 ( 0.000 -1.127 0.000) 1.127 22.166 ( 0.000 1.047 0.000) 1.047 22.354 ( 0.000 -0.654 0.000) 0.654 22.747 ( 0.000 0.217 0.000) 0.217 22.807 ( 0.000 -0.887 0.000) 0.887 23.126 ( 0.000 0.351 0.000) 0.351 23.232 ( 0.000 -0.536 0.000) 0.536 23.482 ( 0.000 1.996 0.000) 1.996 24.584 ( 0.000 -8.731 0.000) 8.731 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 23.473 15.608 0.000) 28.188 0.888 ( 22.642 18.657 0.000) 29.338 1.596 ( 36.964 27.855 0.000) 46.284 1.855 ( -15.290 17.212 0.000) 23.022 1.914 ( -12.327 7.558 0.000) 14.459 2.553 ( 6.364 6.467 0.000) 9.073 2.870 ( -6.492 3.369 0.000) 7.314 3.193 ( 6.411 0.946 0.000) 6.480 3.235 ( 1.022 -6.915 0.000) 6.990 3.334 ( 2.783 1.024 0.000) 2.966 3.338 ( -17.865 -3.391 0.000) 18.184 3.536 ( 5.233 0.487 0.000) 5.256 3.567 ( -8.316 10.154 0.000) 13.125 3.826 ( -2.884 -6.363 0.000) 6.986 4.122 ( -5.107 2.978 0.000) 5.911 4.194 ( 2.215 -1.061 0.000) 2.456 4.492 ( -8.244 6.308 0.000) 10.380 4.533 ( 0.954 -1.613 0.000) 1.874 4.819 ( -1.523 0.925 0.000) 1.782 4.827 ( -0.080 -6.328 0.000) 6.329 4.875 ( 1.117 2.235 0.000) 2.499 4.919 ( -1.156 -4.507 0.000) 4.653 5.168 ( 2.252 -7.876 0.000) 8.191 5.295 ( 3.563 12.079 0.000) 12.594 5.351 ( -6.645 -9.036 0.000) 11.216 5.458 ( -4.358 8.214 0.000) 9.299 5.946 ( 4.084 6.626 0.000) 7.783 5.970 ( 3.832 5.112 0.000) 6.389 6.127 ( 7.661 -2.381 0.000) 8.023 6.200 ( -2.085 8.240 0.000) 8.500 6.398 ( -1.023 4.351 0.000) 4.469 6.423 ( -2.135 7.173 0.000) 7.484 6.723 ( 0.722 0.320 0.000) 0.790 6.940 ( -1.982 -6.216 0.000) 6.524 7.317 ( 7.864 -5.442 0.000) 9.563 7.608 ( -0.227 -0.076 0.000) 0.240 7.627 ( -4.156 -3.567 0.000) 5.477 7.673 ( -5.047 2.181 0.000) 5.498 7.837 ( 8.519 8.103 0.000) 11.757 8.173 ( 0.818 -11.316 0.000) 11.345 8.444 ( -5.572 -1.210 0.000) 5.702 8.484 ( -2.217 -6.872 0.000) 7.221 8.527 ( 3.964 -0.897 0.000) 4.064 8.689 ( -0.523 0.693 0.000) 0.868 8.708 ( 3.430 -12.879 0.000) 13.328 8.874 ( -3.200 0.998 0.000) 3.352 9.221 ( 1.655 7.280 0.000) 7.466 9.243 ( 3.661 -10.050 0.000) 10.696 9.554 ( 1.488 1.043 0.000) 1.817 9.848 ( -11.602 11.302 0.000) 16.197 10.945 ( 2.037 5.760 0.000) 6.110 11.044 ( 0.901 -0.664 0.000) 1.120 11.166 ( 3.157 4.175 0.000) 5.235 11.339 ( -3.515 2.866 0.000) 4.535 11.471 ( 8.840 -6.239 0.000) 10.819 11.712 ( -0.854 -10.652 0.000) 10.686 12.049 ( -2.433 0.328 0.000) 2.455 12.095 ( -2.289 0.986 0.000) 2.492 12.360 ( 3.647 -4.367 0.000) 5.690 12.478 ( 3.010 -0.793 0.000) 3.112 12.609 ( 2.231 2.245 0.000) 3.165 12.796 ( -5.648 4.370 0.000) 7.142 13.052 ( -1.573 -6.457 0.000) 6.646 13.272 ( -15.803 9.879 0.000) 18.636 13.883 ( 1.051 10.990 0.000) 11.040 13.936 ( -1.241 7.864 0.000) 7.961 15.793 ( 16.144 -24.969 0.000) 29.733 16.057 ( -1.488 -14.667 0.000) 14.742 18.824 ( -0.542 8.400 0.000) 8.417 18.827 ( -0.377 8.381 0.000) 8.390 18.920 ( 3.769 17.170 0.000) 17.578 19.531 ( -40.441 47.101 0.000) 62.080 20.566 ( 1.082 -0.280 0.000) 1.118 20.667 ( -2.207 -1.783 0.000) 2.837 21.263 ( 5.696 -3.627 0.000) 6.753 21.648 ( -9.066 -3.469 0.000) 9.707 22.283 ( 7.870 0.915 0.000) 7.923 22.631 ( -6.952 0.455 0.000) 6.967 22.886 ( 3.724 -1.224 0.000) 3.920 22.981 ( 0.923 -5.520 0.000) 5.596 23.209 ( 5.721 0.258 0.000) 5.727 23.445 ( -3.304 1.710 0.000) 3.721 24.032 ( 35.884 -40.075 0.000) 53.793 24.558 ( -2.504 -10.957 0.000) 11.239 ======================= Grid point 7 (6/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -19.373 8.461 0.000) 21.141 1.401 ( 19.373 8.461 0.000) 21.141 1.423 ( -18.452 14.529 0.000) 23.485 1.423 ( 18.452 14.529 0.000) 23.485 2.593 ( -37.115 12.463 0.000) 39.152 2.593 ( 37.115 12.463 0.000) 39.152 2.722 ( -3.034 6.161 0.000) 6.868 2.722 ( 3.034 6.161 0.000) 6.868 3.281 ( -0.172 -7.253 0.000) 7.255 3.281 ( 0.172 -7.253 0.000) 7.255 3.406 ( -5.397 9.506 0.000) 10.932 3.406 ( 5.397 9.506 0.000) 10.932 3.701 ( -8.072 -4.175 0.000) 9.088 3.701 ( 8.072 -4.175 0.000) 9.088 4.155 ( -4.939 -2.698 0.000) 5.628 4.155 ( 4.939 -2.698 0.000) 5.628 4.477 ( -4.496 4.189 0.000) 6.145 4.477 ( 4.496 4.189 0.000) 6.145 4.816 ( -0.933 -5.901 0.000) 5.974 4.816 ( 0.933 -5.901 0.000) 5.974 4.894 ( -0.735 0.670 0.000) 0.995 4.894 ( 0.735 0.670 0.000) 0.995 5.234 ( -3.805 -9.030 0.000) 9.799 5.234 ( 3.805 -9.030 0.000) 9.799 5.366 ( -3.521 12.303 0.000) 12.797 5.366 ( 3.521 12.303 0.000) 12.797 6.024 ( -1.139 5.495 0.000) 5.611 6.024 ( 1.139 5.495 0.000) 5.611 6.176 ( -0.806 1.917 0.000) 2.080 6.176 ( 0.806 1.917 0.000) 2.080 6.390 ( -0.484 8.441 0.000) 8.455 6.390 ( 0.484 8.441 0.000) 8.455 6.827 ( -6.893 -4.785 0.000) 8.392 6.827 ( 6.893 -4.785 0.000) 8.392 7.503 ( -7.701 -5.889 0.000) 9.695 7.503 ( 7.701 -5.889 0.000) 9.695 7.609 ( -0.691 1.624 0.000) 1.765 7.609 ( 0.691 1.624 0.000) 1.765 8.049 ( -9.355 1.023 0.000) 9.411 8.049 ( 9.355 1.023 0.000) 9.411 8.428 ( -2.200 -6.377 0.000) 6.745 8.428 ( 2.200 -6.377 0.000) 6.745 8.629 ( -4.338 0.137 0.000) 4.341 8.629 ( 4.338 0.137 0.000) 4.341 8.799 ( -4.053 -8.547 0.000) 9.459 8.799 ( 4.053 -8.547 0.000) 9.459 9.259 ( -1.167 -2.205 0.000) 2.494 9.259 ( 1.167 -2.205 0.000) 2.494 9.637 ( -6.615 8.812 0.000) 11.019 9.637 ( 6.615 8.812 0.000) 11.019 11.004 ( -2.932 5.621 0.000) 6.339 11.004 ( 2.932 5.621 0.000) 6.339 11.249 ( -4.110 3.667 0.000) 5.508 11.249 ( 4.110 3.667 0.000) 5.508 11.642 ( -5.680 -11.473 0.000) 12.802 11.642 ( 5.680 -11.473 0.000) 12.802 12.035 ( -1.517 3.783 0.000) 4.076 12.035 ( 1.517 3.783 0.000) 4.076 12.478 ( -3.948 -3.341 0.000) 5.172 12.478 ( 3.948 -3.341 0.000) 5.172 12.682 ( -4.327 0.971 0.000) 4.434 12.682 ( 4.327 0.971 0.000) 4.434 13.069 ( -4.258 -0.043 0.000) 4.258 13.069 ( 4.258 -0.043 0.000) 4.258 13.910 ( -1.242 9.188 0.000) 9.271 13.910 ( 1.242 9.188 0.000) 9.271 15.996 ( -4.593 -18.543 0.000) 19.103 15.996 ( 4.593 -18.543 0.000) 19.103 18.820 ( -0.155 8.190 0.000) 8.192 18.820 ( 0.155 8.190 0.000) 8.192 19.060 ( -10.083 26.613 0.000) 28.459 19.060 ( 10.083 26.613 0.000) 28.459 20.611 ( -2.549 -1.463 0.000) 2.939 20.611 ( 2.549 -1.463 0.000) 2.939 21.433 ( -9.212 -3.362 0.000) 9.806 21.433 ( 9.212 -3.362 0.000) 9.806 22.463 ( -7.960 0.821 0.000) 8.002 22.463 ( 7.960 0.821 0.000) 8.002 22.953 ( -2.303 -2.186 0.000) 3.176 22.953 ( 2.303 -2.186 0.000) 3.176 23.341 ( -5.694 1.014 0.000) 5.783 23.341 ( 5.694 1.014 0.000) 5.783 24.448 ( -8.538 -19.675 0.000) 21.447 24.448 ( 8.538 -19.675 0.000) 21.447 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 28.507 0.000) 28.507 1.185 ( 0.000 28.393 0.000) 28.393 1.887 ( 0.000 36.104 0.000) 36.104 2.289 ( 0.000 14.524 0.000) 14.524 2.514 ( 0.000 23.687 0.000) 23.687 2.578 ( 0.000 5.839 0.000) 5.839 2.891 ( 0.000 -5.402 0.000) 5.402 3.005 ( 0.000 -12.601 0.000) 12.601 3.016 ( 0.000 -8.940 0.000) 8.940 3.415 ( 0.000 -10.273 0.000) 10.273 3.468 ( 0.000 14.678 0.000) 14.678 3.541 ( 0.000 -3.476 0.000) 3.476 3.593 ( 0.000 5.965 0.000) 5.965 3.919 ( 0.000 7.495 0.000) 7.495 4.202 ( 0.000 4.190 0.000) 4.190 4.437 ( 0.000 8.772 0.000) 8.772 4.503 ( 0.000 1.136 0.000) 1.136 4.628 ( 0.000 -12.827 0.000) 12.827 4.630 ( 0.000 -5.488 0.000) 5.488 4.694 ( 0.000 -14.282 0.000) 14.282 4.712 ( 0.000 -5.844 0.000) 5.844 5.000 ( 0.000 3.391 0.000) 3.391 5.053 ( 0.000 -8.197 0.000) 8.197 5.245 ( 0.000 -10.591 0.000) 10.591 5.525 ( 0.000 22.214 0.000) 22.214 5.652 ( 0.000 6.625 0.000) 6.625 6.028 ( 0.000 7.452 0.000) 7.452 6.058 ( 0.000 7.795 0.000) 7.795 6.059 ( 0.000 6.216 0.000) 6.216 6.408 ( 0.000 -4.087 0.000) 4.087 6.446 ( 0.000 10.888 0.000) 10.888 6.542 ( 0.000 9.798 0.000) 9.798 6.893 ( 0.000 9.304 0.000) 9.304 6.920 ( 0.000 0.375 0.000) 0.375 7.131 ( 0.000 -3.150 0.000) 3.150 7.543 ( 0.000 -9.025 0.000) 9.025 7.587 ( 0.000 -1.661 0.000) 1.661 7.794 ( 0.000 -3.638 0.000) 3.638 7.797 ( 0.000 -14.646 0.000) 14.646 7.958 ( 0.000 9.990 0.000) 9.990 8.332 ( 0.000 -9.188 0.000) 9.188 8.448 ( 0.000 -1.288 0.000) 1.288 8.452 ( 0.000 -8.509 0.000) 8.509 8.474 ( 0.000 -8.995 0.000) 8.995 8.655 ( 0.000 -1.466 0.000) 1.466 8.944 ( 0.000 0.789 0.000) 0.789 9.102 ( 0.000 0.173 0.000) 0.173 9.212 ( 0.000 -8.175 0.000) 8.175 9.645 ( 0.000 12.558 0.000) 12.558 10.169 ( 0.000 6.816 0.000) 6.816 10.774 ( 0.000 -8.106 0.000) 8.106 10.970 ( 0.000 -3.980 0.000) 3.980 11.259 ( 0.000 7.761 0.000) 7.761 11.444 ( 0.000 3.183 0.000) 3.183 11.477 ( 0.000 5.791 0.000) 5.791 11.529 ( 0.000 -6.144 0.000) 6.144 12.052 ( 0.000 -2.749 0.000) 2.749 12.064 ( 0.000 1.238 0.000) 1.238 12.206 ( 0.000 -8.262 0.000) 8.262 12.460 ( 0.000 2.154 0.000) 2.154 12.614 ( 0.000 0.490 0.000) 0.490 12.874 ( 0.000 -12.349 0.000) 12.349 13.019 ( 0.000 7.543 0.000) 7.543 13.573 ( 0.000 -6.028 0.000) 6.028 14.175 ( 0.000 18.006 0.000) 18.006 14.185 ( 0.000 10.650 0.000) 10.650 15.187 ( 0.000 -10.289 0.000) 10.289 15.742 ( 0.000 -18.576 0.000) 18.576 19.060 ( 0.000 13.181 0.000) 13.181 19.069 ( 0.000 14.783 0.000) 14.783 19.210 ( 0.000 17.029 0.000) 17.029 20.341 ( 0.000 -10.681 0.000) 10.681 20.650 ( 0.000 -2.218 0.000) 2.218 21.086 ( 0.000 -7.258 0.000) 7.258 21.337 ( 0.000 1.507 0.000) 1.507 21.490 ( 0.000 -1.775 0.000) 1.775 22.194 ( 0.000 1.710 0.000) 1.710 22.335 ( 0.000 -1.225 0.000) 1.225 22.752 ( 0.000 0.315 0.000) 0.315 22.787 ( 0.000 -0.988 0.000) 0.988 23.136 ( 0.000 0.681 0.000) 0.681 23.217 ( 0.000 -0.939 0.000) 0.939 23.544 ( 0.000 4.352 0.000) 4.352 24.355 ( 0.000 -13.447 0.000) 13.447 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 14.574 23.487 0.000) 27.641 1.315 ( 13.283 23.153 0.000) 26.693 2.011 ( -8.911 12.601 0.000) 15.434 2.204 ( -18.938 15.521 0.000) 24.485 2.329 ( 20.233 30.185 0.000) 36.339 2.726 ( 5.461 8.497 0.000) 10.101 2.889 ( -0.527 -1.408 0.000) 1.503 3.036 ( 1.901 -11.931 0.000) 12.082 3.072 ( 2.943 -9.586 0.000) 10.027 3.283 ( -8.289 -2.187 0.000) 8.572 3.499 ( 3.496 11.839 0.000) 12.344 3.596 ( 0.592 5.892 0.000) 5.922 3.677 ( 5.300 -3.204 0.000) 6.193 3.818 ( -7.799 9.907 0.000) 12.609 4.211 ( -0.756 2.981 0.000) 3.076 4.228 ( -12.910 8.180 0.000) 15.283 4.509 ( -2.615 -4.239 0.000) 4.981 4.544 ( 2.358 1.379 0.000) 2.731 4.677 ( -0.845 -10.355 0.000) 10.389 4.692 ( -2.270 -7.388 0.000) 7.729 4.759 ( 4.935 -9.928 0.000) 11.087 4.975 ( -2.768 1.643 0.000) 3.219 5.037 ( -0.036 -5.980 0.000) 5.980 5.160 ( -5.320 -8.820 0.000) 10.300 5.568 ( 2.418 16.064 0.000) 16.245 5.641 ( -1.304 8.654 0.000) 8.752 6.093 ( 2.343 6.076 0.000) 6.512 6.103 ( 2.267 1.066 0.000) 2.506 6.113 ( 6.448 8.580 0.000) 10.733 6.390 ( -4.578 11.516 0.000) 12.393 6.497 ( 7.563 0.387 0.000) 7.573 6.565 ( 2.242 11.447 0.000) 11.664 6.823 ( -5.395 9.517 0.000) 10.940 6.867 ( -4.418 -1.112 0.000) 4.555 7.205 ( 5.935 -5.235 0.000) 7.914 7.480 ( -4.790 -9.521 0.000) 10.658 7.582 ( -0.185 -2.249 0.000) 2.256 7.653 ( -4.293 -5.612 0.000) 7.066 7.956 ( 5.320 -10.557 0.000) 11.822 7.988 ( 2.134 4.280 0.000) 4.783 8.311 ( -1.606 -8.539 0.000) 8.689 8.370 ( -5.559 -4.907 0.000) 7.415 8.489 ( 4.566 -6.623 0.000) 8.045 8.531 ( 5.770 -0.349 0.000) 5.781 8.706 ( 0.463 -3.163 0.000) 3.196 8.855 ( -6.993 1.010 0.000) 7.066 9.121 ( 1.584 -3.234 0.000) 3.601 9.200 ( -1.067 -7.543 0.000) 7.618 9.700 ( 4.742 12.515 0.000) 13.383 10.045 ( -8.703 9.499 0.000) 12.883 10.894 ( 6.918 -11.141 0.000) 13.114 10.986 ( 1.061 -5.291 0.000) 5.397 11.280 ( 1.924 6.983 0.000) 7.243 11.407 ( -2.786 3.706 0.000) 4.636 11.502 ( 1.707 5.059 0.000) 5.340 11.533 ( 0.130 -4.196 0.000) 4.198 12.059 ( -0.246 1.335 0.000) 1.357 12.069 ( 0.331 -2.746 0.000) 2.766 12.244 ( 4.712 -6.514 0.000) 8.040 12.497 ( 1.552 2.286 0.000) 2.763 12.612 ( 0.160 -2.237 0.000) 2.242 12.890 ( 2.855 -8.811 0.000) 9.262 12.912 ( -8.568 6.579 0.000) 10.803 13.342 ( -15.386 -1.136 0.000) 15.428 14.155 ( -0.609 13.173 0.000) 13.187 14.172 ( -0.297 17.217 0.000) 17.220 15.388 ( 12.170 -17.304 0.000) 21.156 15.710 ( -2.918 -19.002 0.000) 19.225 19.046 ( -0.639 13.283 0.000) 13.298 19.059 ( -0.751 14.420 0.000) 14.440 19.299 ( 7.599 18.179 0.000) 19.703 20.079 ( -26.074 6.663 0.000) 26.912 20.628 ( -1.640 -1.559 0.000) 2.263 20.665 ( -12.525 12.654 0.000) 17.805 21.155 ( 5.936 -7.130 0.000) 9.277 21.549 ( -8.384 -6.386 0.000) 10.539 22.312 ( 8.027 2.037 0.000) 8.282 22.648 ( -6.202 1.311 0.000) 6.339 22.806 ( 11.981 -11.047 0.000) 16.296 22.852 ( 2.612 -2.195 0.000) 3.412 23.219 ( 6.368 0.803 0.000) 6.418 23.498 ( -4.081 3.702 0.000) 5.510 23.505 ( 26.755 -14.209 0.000) 30.294 24.285 ( -6.591 -15.283 0.000) 16.644 ======================= Grid point 12 (9/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -18.267 16.074 0.000) 24.332 1.648 ( 18.267 16.074 0.000) 24.332 1.734 ( -21.382 15.763 0.000) 26.564 1.734 ( 21.382 15.763 0.000) 26.564 2.803 ( -2.453 -0.240 0.000) 2.465 2.803 ( 2.453 -0.240 0.000) 2.465 2.936 ( -16.029 14.565 0.000) 21.658 2.936 ( 16.029 14.565 0.000) 21.658 3.101 ( -0.768 -4.738 0.000) 4.800 3.101 ( 0.768 -4.738 0.000) 4.800 3.632 ( -7.215 2.983 0.000) 7.808 3.632 ( 7.215 2.983 0.000) 7.808 3.650 ( -5.222 9.471 0.000) 10.815 3.650 ( 5.222 9.471 0.000) 10.815 4.136 ( -3.818 1.490 0.000) 4.098 4.136 ( 3.818 1.490 0.000) 4.098 4.539 ( -3.154 1.282 0.000) 3.405 4.539 ( 3.154 1.282 0.000) 3.405 4.658 ( -0.361 -8.858 0.000) 8.865 4.658 ( 0.361 -8.858 0.000) 8.865 4.874 ( -5.480 -5.071 0.000) 7.466 4.874 ( 5.480 -5.071 0.000) 7.466 5.070 ( -2.711 -6.195 0.000) 6.763 5.070 ( 2.711 -6.195 0.000) 6.763 5.609 ( -1.446 11.661 0.000) 11.751 5.609 ( 1.446 11.661 0.000) 11.751 6.126 ( -0.253 1.686 0.000) 1.704 6.126 ( 0.253 1.686 0.000) 1.704 6.263 ( -6.468 10.309 0.000) 12.170 6.263 ( 6.468 10.309 0.000) 12.170 6.631 ( -0.939 13.867 0.000) 13.898 6.631 ( 0.939 13.867 0.000) 13.898 6.749 ( -3.543 -1.995 0.000) 4.066 6.749 ( 3.543 -1.995 0.000) 4.066 7.354 ( -6.516 -8.512 0.000) 10.720 7.354 ( 6.516 -8.512 0.000) 10.720 7.591 ( -1.355 -3.602 0.000) 3.848 7.591 ( 1.355 -3.602 0.000) 3.848 8.019 ( -0.272 -5.666 0.000) 5.672 8.019 ( 0.272 -5.666 0.000) 5.672 8.293 ( -0.928 -5.471 0.000) 5.549 8.293 ( 0.928 -5.471 0.000) 5.549 8.629 ( -6.606 -5.908 0.000) 8.863 8.629 ( 6.606 -5.908 0.000) 8.863 8.682 ( -7.483 2.564 0.000) 7.910 8.682 ( 7.483 2.564 0.000) 7.910 9.165 ( -2.021 -6.162 0.000) 6.485 9.165 ( 2.021 -6.162 0.000) 6.485 9.848 ( -8.236 11.871 0.000) 14.448 9.848 ( 8.236 11.871 0.000) 14.448 10.990 ( -1.499 -9.158 0.000) 9.280 10.990 ( 1.499 -9.158 0.000) 9.280 11.339 ( -3.076 5.173 0.000) 6.018 11.339 ( 3.076 5.173 0.000) 6.018 11.529 ( -0.575 1.029 0.000) 1.179 11.529 ( 0.575 1.029 0.000) 1.179 12.060 ( -0.429 -0.231 0.000) 0.487 12.060 ( 0.429 -0.231 0.000) 0.487 12.407 ( -8.074 -4.335 0.000) 9.164 12.407 ( 8.074 -4.335 0.000) 9.164 12.711 ( -8.008 2.512 0.000) 8.393 12.711 ( 8.008 2.512 0.000) 8.393 13.043 ( -10.614 -2.496 0.000) 10.903 13.043 ( 10.614 -2.496 0.000) 10.903 14.161 ( -0.615 15.292 0.000) 15.304 14.161 ( 0.615 15.292 0.000) 15.304 15.604 ( -6.944 -19.687 0.000) 20.875 15.604 ( 6.944 -19.687 0.000) 20.875 19.044 ( -0.440 13.719 0.000) 13.726 19.044 ( 0.440 13.719 0.000) 13.726 19.562 ( -16.939 19.857 0.000) 26.100 19.562 ( 16.939 19.857 0.000) 26.100 20.595 ( -0.781 1.086 0.000) 1.338 20.595 ( 0.781 1.086 0.000) 1.338 21.333 ( -9.546 -6.763 0.000) 11.699 21.333 ( 9.546 -6.763 0.000) 11.699 22.492 ( -7.698 2.185 0.000) 8.002 22.492 ( 7.698 2.185 0.000) 8.002 22.887 ( -0.257 -4.540 0.000) 4.548 22.887 ( 0.257 -4.540 0.000) 4.548 23.372 ( -6.771 2.167 0.000) 7.109 23.372 ( 6.771 2.167 0.000) 7.109 24.032 ( -17.069 -19.632 0.000) 26.015 24.032 ( 17.069 -19.632 0.000) 26.015 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.000 27.282 0.000) 27.282 1.723 ( 0.000 25.462 0.000) 25.462 2.294 ( 0.000 9.086 0.000) 9.086 2.551 ( 0.000 -13.927 0.000) 13.927 2.584 ( 0.000 -2.120 0.000) 2.120 2.758 ( 0.000 -7.797 0.000) 7.797 2.845 ( 0.000 1.758 0.000) 1.758 2.901 ( 0.000 12.819 0.000) 12.819 3.027 ( 0.000 22.495 0.000) 22.495 3.247 ( 0.000 -4.815 0.000) 4.815 3.440 ( 0.000 -6.044 0.000) 6.044 3.680 ( 0.000 1.595 0.000) 1.595 3.771 ( 0.000 14.551 0.000) 14.551 4.098 ( 0.000 9.194 0.000) 9.194 4.297 ( 0.000 2.108 0.000) 2.108 4.354 ( 0.000 -18.255 0.000) 18.255 4.387 ( 0.000 -10.177 0.000) 10.177 4.446 ( 0.000 -7.374 0.000) 7.374 4.539 ( 0.000 -1.095 0.000) 1.095 4.617 ( 0.000 9.193 0.000) 9.193 4.693 ( 0.000 4.021 0.000) 4.021 4.867 ( 0.000 -10.375 0.000) 10.375 5.000 ( 0.000 -2.967 0.000) 2.967 5.057 ( 0.000 -8.241 0.000) 8.241 5.789 ( 0.000 7.870 0.000) 7.870 5.946 ( 0.000 17.987 0.000) 17.987 6.096 ( 0.000 -3.523 0.000) 3.523 6.186 ( 0.000 3.877 0.000) 3.877 6.201 ( 0.000 8.320 0.000) 8.320 6.354 ( 0.000 -0.790 0.000) 0.790 6.692 ( 0.000 15.025 0.000) 15.025 6.780 ( 0.000 12.667 0.000) 12.667 6.966 ( 0.000 4.511 0.000) 4.511 7.059 ( 0.000 6.287 0.000) 6.287 7.100 ( 0.000 0.053 0.000) 0.053 7.333 ( 0.000 -12.252 0.000) 12.252 7.492 ( 0.000 -14.631 0.000) 14.631 7.571 ( 0.000 1.416 0.000) 1.416 7.636 ( 0.000 -12.372 0.000) 12.372 7.942 ( 0.000 -11.408 0.000) 11.408 8.289 ( 0.000 2.974 0.000) 2.974 8.338 ( 0.000 -3.104 0.000) 3.104 8.365 ( 0.000 -1.029 0.000) 1.029 8.481 ( 0.000 6.876 0.000) 6.876 8.555 ( 0.000 -7.095 0.000) 7.095 8.985 ( 0.000 -13.370 0.000) 13.370 8.999 ( 0.000 3.592 0.000) 3.592 9.094 ( 0.000 -0.993 0.000) 0.993 9.955 ( 0.000 17.719 0.000) 17.719 10.315 ( 0.000 7.648 0.000) 7.648 10.617 ( 0.000 -7.671 0.000) 7.671 10.725 ( 0.000 -18.133 0.000) 18.133 11.423 ( 0.000 8.180 0.000) 8.180 11.498 ( 0.000 2.129 0.000) 2.129 11.507 ( 0.000 1.475 0.000) 1.475 11.567 ( 0.000 2.706 0.000) 2.706 11.994 ( 0.000 -2.717 0.000) 2.717 12.049 ( 0.000 -6.831 0.000) 6.831 12.147 ( 0.000 7.191 0.000) 7.191 12.502 ( 0.000 0.935 0.000) 0.935 12.606 ( 0.000 -1.112 0.000) 1.112 12.618 ( 0.000 -11.870 0.000) 11.870 13.171 ( 0.000 7.545 0.000) 7.545 13.450 ( 0.000 -6.417 0.000) 6.417 14.418 ( 0.000 12.701 0.000) 12.701 14.558 ( 0.000 20.079 0.000) 20.079 14.952 ( 0.000 -13.001 0.000) 13.001 15.359 ( 0.000 -19.744 0.000) 19.744 19.325 ( 0.000 12.439 0.000) 12.439 19.398 ( 0.000 17.783 0.000) 17.783 19.477 ( 0.000 8.331 0.000) 8.331 20.083 ( 0.000 -14.999 0.000) 14.999 20.635 ( 0.000 1.606 0.000) 1.606 20.915 ( 0.000 -9.491 0.000) 9.491 21.372 ( 0.000 1.897 0.000) 1.897 21.452 ( 0.000 -2.011 0.000) 2.011 22.231 ( 0.000 1.957 0.000) 1.957 22.306 ( 0.000 -1.655 0.000) 1.655 22.758 ( 0.000 0.278 0.000) 0.278 22.772 ( 0.000 -0.566 0.000) 0.566 23.153 ( 0.000 0.954 0.000) 0.954 23.196 ( 0.000 -1.134 0.000) 1.134 23.659 ( 0.000 7.310 0.000) 7.310 24.081 ( 0.000 -13.461 0.000) 13.461 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 9.133 24.730 0.000) 26.363 1.781 ( 6.856 23.237 0.000) 24.227 2.263 ( -7.445 12.967 0.000) 14.953 2.452 ( -15.533 8.508 0.000) 17.710 2.556 ( 2.941 -9.731 0.000) 10.166 2.652 ( -0.045 -13.739 0.000) 13.739 2.793 ( 0.270 -11.589 0.000) 11.592 2.879 ( -7.469 -6.144 0.000) 9.672 3.186 ( 13.018 25.694 0.000) 28.803 3.322 ( 7.211 7.376 0.000) 10.315 3.610 ( 9.039 -3.967 0.000) 9.871 3.666 ( -0.783 4.387 0.000) 4.457 3.798 ( 2.438 12.666 0.000) 12.898 4.028 ( -5.433 10.815 0.000) 12.103 4.281 ( -3.288 1.725 0.000) 3.713 4.378 ( 2.365 -11.655 0.000) 11.893 4.411 ( 4.565 -10.825 0.000) 11.749 4.441 ( -12.590 11.440 0.000) 17.012 4.461 ( 0.109 -8.815 0.000) 8.816 4.608 ( 5.098 -3.165 0.000) 6.000 4.659 ( -3.405 3.213 0.000) 4.681 4.885 ( 1.686 -9.291 0.000) 9.443 4.924 ( -6.815 -5.077 0.000) 8.498 5.016 ( -2.809 -6.449 0.000) 7.034 5.795 ( 0.878 7.442 0.000) 7.494 5.900 ( -3.264 15.507 0.000) 15.847 6.072 ( -0.178 -4.196 0.000) 4.199 6.171 ( -1.721 1.257 0.000) 2.131 6.314 ( 8.750 9.770 0.000) 13.116 6.506 ( 10.307 0.584 0.000) 10.323 6.668 ( -3.891 15.327 0.000) 15.813 6.785 ( 1.128 8.447 0.000) 8.522 6.926 ( -2.830 8.393 0.000) 8.857 7.023 ( -2.994 8.761 0.000) 9.258 7.127 ( 2.212 -2.213 0.000) 3.128 7.269 ( -3.932 -11.065 0.000) 11.743 7.474 ( -0.482 -10.331 0.000) 10.342 7.545 ( -2.204 -0.104 0.000) 2.206 7.714 ( 4.705 -14.490 0.000) 15.235 7.893 ( -3.590 -12.022 0.000) 12.547 8.247 ( -1.376 1.138 0.000) 1.786 8.319 ( -3.194 0.791 0.000) 3.290 8.373 ( 3.191 -4.594 0.000) 5.594 8.559 ( -1.070 -8.971 0.000) 9.035 8.607 ( 8.424 7.231 0.000) 11.102 8.934 ( -5.247 4.822 0.000) 7.126 9.006 ( 1.555 -10.935 0.000) 11.045 9.073 ( -1.577 -2.272 0.000) 2.766 9.996 ( 3.562 16.748 0.000) 17.123 10.241 ( -5.579 10.191 0.000) 11.618 10.668 ( 3.149 -11.274 0.000) 11.706 10.728 ( 0.156 -17.768 0.000) 17.769 11.426 ( 0.492 7.308 0.000) 7.325 11.479 ( -1.360 3.311 0.000) 3.580 11.531 ( 1.806 1.190 0.000) 2.163 11.580 ( 0.627 1.753 0.000) 1.862 12.016 ( 1.888 -1.732 0.000) 2.562 12.119 ( 6.098 -5.736 0.000) 8.372 12.129 ( -1.719 5.977 0.000) 6.220 12.482 ( -7.055 -7.934 0.000) 10.617 12.579 ( 6.566 2.981 0.000) 7.211 12.745 ( 7.814 -5.373 0.000) 9.483 13.045 ( -10.175 6.656 0.000) 12.159 13.279 ( -12.963 -4.586 0.000) 13.750 14.437 ( 1.926 14.970 0.000) 15.093 14.541 ( -1.531 19.440 0.000) 19.500 15.061 ( 7.662 -16.027 0.000) 17.765 15.325 ( -3.048 -19.607 0.000) 19.843 19.321 ( 0.100 13.433 0.000) 13.433 19.378 ( -1.643 16.995 0.000) 17.074 19.558 ( 6.690 6.341 0.000) 9.218 19.990 ( -8.317 -11.117 0.000) 13.884 20.641 ( 0.917 3.767 0.000) 3.877 20.960 ( -18.227 14.247 0.000) 23.134 20.984 ( 5.911 -9.829 0.000) 11.470 21.400 ( -9.569 -8.569 0.000) 12.845 22.367 ( 9.042 3.536 0.000) 9.709 22.600 ( 14.478 -8.885 0.000) 16.987 22.685 ( -4.629 2.394 0.000) 5.212 22.800 ( 0.494 -2.888 0.000) 2.930 23.241 ( 7.245 1.426 0.000) 7.384 23.341 ( 13.660 -4.589 0.000) 14.410 23.596 ( -5.498 6.327 0.000) 8.382 23.990 ( -8.213 -13.667 0.000) 15.945 ======================= Grid point 17 (12/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -13.001 19.107 0.000) 23.111 2.007 ( 13.001 19.107 0.000) 23.111 2.054 ( -16.703 16.629 0.000) 23.569 2.054 ( 16.703 16.629 0.000) 23.569 2.675 ( -4.653 -11.886 0.000) 12.765 2.675 ( 4.653 -11.886 0.000) 12.765 2.754 ( -1.360 -16.300 0.000) 16.357 2.754 ( 1.360 -16.300 0.000) 16.357 3.418 ( -2.000 17.785 0.000) 17.897 3.418 ( 2.000 17.785 0.000) 17.897 3.690 ( -2.605 3.669 0.000) 4.499 3.690 ( 2.605 3.669 0.000) 4.499 3.887 ( -6.027 11.884 0.000) 13.325 3.887 ( 6.027 11.884 0.000) 13.325 4.227 ( -2.027 7.696 0.000) 7.958 4.227 ( 2.027 7.696 0.000) 7.958 4.443 ( -2.281 -11.703 0.000) 11.923 4.443 ( 2.281 -11.703 0.000) 11.923 4.546 ( -6.381 -2.353 0.000) 6.801 4.546 ( 6.381 -2.353 0.000) 6.801 4.748 ( -7.607 -4.501 0.000) 8.839 4.748 ( 7.607 -4.501 0.000) 8.839 4.944 ( -3.344 -7.468 0.000) 8.183 4.944 ( 3.344 -7.468 0.000) 8.183 5.833 ( -2.466 10.643 0.000) 10.925 5.833 ( 2.466 10.643 0.000) 10.925 6.111 ( -3.035 -2.694 0.000) 4.058 6.111 ( 3.035 -2.694 0.000) 4.058 6.519 ( -8.668 12.917 0.000) 15.556 6.519 ( 8.668 12.917 0.000) 15.556 6.720 ( -7.649 0.766 0.000) 7.687 6.720 ( 7.649 0.766 0.000) 7.687 6.939 ( -3.850 13.932 0.000) 14.454 6.939 ( 3.850 13.932 0.000) 14.454 7.190 ( -3.264 -7.038 0.000) 7.758 7.190 ( 3.264 -7.038 0.000) 7.758 7.490 ( -2.014 -4.918 0.000) 5.314 7.490 ( 2.014 -4.918 0.000) 5.314 7.809 ( -3.865 -14.118 0.000) 14.638 7.809 ( 3.865 -14.118 0.000) 14.638 8.255 ( -2.037 1.461 0.000) 2.506 8.255 ( 2.037 1.461 0.000) 2.506 8.479 ( -5.367 -7.947 0.000) 9.590 8.479 ( 5.367 -7.947 0.000) 9.590 8.790 ( -7.481 6.454 0.000) 9.881 8.790 ( 7.481 6.454 0.000) 9.881 9.039 ( -1.374 -6.221 0.000) 6.371 9.039 ( 1.374 -6.221 0.000) 6.371 10.105 ( -5.951 14.023 0.000) 15.233 10.105 ( 5.951 14.023 0.000) 15.233 10.719 ( -1.253 -15.787 0.000) 15.837 10.719 ( 1.253 -15.787 0.000) 15.837 11.447 ( -1.317 5.401 0.000) 5.559 11.447 ( 1.317 5.401 0.000) 5.559 11.572 ( -1.417 0.897 0.000) 1.677 11.572 ( 1.417 0.897 0.000) 1.677 12.073 ( -2.933 2.471 0.000) 3.835 12.073 ( 2.933 2.471 0.000) 3.835 12.296 ( -8.961 -6.552 0.000) 11.101 12.296 ( 8.961 -6.552 0.000) 11.101 12.786 ( -11.487 4.757 0.000) 12.433 12.786 ( 11.487 4.757 0.000) 12.433 12.977 ( -12.719 -4.051 0.000) 13.348 12.977 ( 12.719 -4.051 0.000) 13.348 14.493 ( -2.616 17.673 0.000) 17.866 14.493 ( 2.616 17.673 0.000) 17.866 15.222 ( -6.108 -18.780 0.000) 19.748 15.222 ( 6.108 -18.780 0.000) 19.748 19.339 ( -1.501 15.248 0.000) 15.321 19.339 ( 1.501 15.248 0.000) 15.321 19.758 ( -10.780 -0.246 0.000) 10.783 19.758 ( 10.780 -0.246 0.000) 10.783 20.704 ( -5.763 9.987 0.000) 11.531 20.704 ( 5.763 9.987 0.000) 11.531 21.165 ( -9.988 -10.014 0.000) 14.144 21.165 ( 9.988 -10.014 0.000) 14.144 22.554 ( -7.213 4.092 0.000) 8.293 22.554 ( 7.213 4.092 0.000) 8.293 22.777 ( -3.154 -6.201 0.000) 6.957 22.777 ( 3.154 -6.201 0.000) 6.957 23.430 ( -8.771 3.773 0.000) 9.548 23.430 ( 8.771 3.773 0.000) 9.548 23.714 ( -16.231 -12.262 0.000) 20.342 23.714 ( 16.231 -12.262 0.000) 20.342 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 0.000 -23.738 0.000) 23.738 2.150 ( 0.000 23.738 0.000) 23.738 2.178 ( 0.000 -19.132 0.000) 19.132 2.178 ( 0.000 19.132 0.000) 19.132 2.594 ( 0.000 -7.798 0.000) 7.798 2.594 ( 0.000 7.798 0.000) 7.798 2.944 ( 0.000 -5.049 0.000) 5.049 2.944 ( 0.000 5.049 0.000) 5.049 3.303 ( 0.000 -7.470 0.000) 7.470 3.303 ( 0.000 7.470 0.000) 7.470 3.537 ( 0.000 -19.497 0.000) 19.497 3.537 ( 0.000 19.497 0.000) 19.497 4.024 ( 0.000 -12.077 0.000) 12.077 4.024 ( 0.000 12.077 0.000) 12.077 4.276 ( 0.000 -8.859 0.000) 8.859 4.276 ( 0.000 8.859 0.000) 8.859 4.280 ( 0.000 -0.422 0.000) 0.422 4.280 ( 0.000 0.422 0.000) 0.422 4.655 ( 0.000 -10.183 0.000) 10.183 4.655 ( 0.000 10.183 0.000) 10.183 4.754 ( 0.000 -1.772 0.000) 1.772 4.754 ( 0.000 1.772 0.000) 1.772 4.945 ( 0.000 -0.937 0.000) 0.937 4.945 ( 0.000 0.937 0.000) 0.937 5.960 ( 0.000 -8.690 0.000) 8.690 5.960 ( 0.000 8.690 0.000) 8.690 6.180 ( 0.000 -5.280 0.000) 5.280 6.180 ( 0.000 5.280 0.000) 5.280 6.322 ( 0.000 -3.594 0.000) 3.594 6.322 ( 0.000 3.594 0.000) 3.594 6.994 ( 0.000 -6.467 0.000) 6.467 6.994 ( 0.000 6.467 0.000) 6.467 7.030 ( 0.000 -17.622 0.000) 17.622 7.030 ( 0.000 17.622 0.000) 17.622 7.114 ( 0.000 -0.256 0.000) 0.256 7.114 ( 0.000 0.256 0.000) 0.256 7.386 ( 0.000 -7.918 0.000) 7.918 7.386 ( 0.000 7.918 0.000) 7.918 7.695 ( 0.000 -10.912 0.000) 10.912 7.695 ( 0.000 10.912 0.000) 10.912 8.310 ( 0.000 -0.289 0.000) 0.289 8.310 ( 0.000 0.289 0.000) 0.289 8.420 ( 0.000 -5.613 0.000) 5.613 8.420 ( 0.000 5.613 0.000) 5.613 8.709 ( 0.000 -13.782 0.000) 13.782 8.709 ( 0.000 13.782 0.000) 13.782 9.061 ( 0.000 -2.420 0.000) 2.420 9.061 ( 0.000 2.420 0.000) 2.420 10.334 ( 0.000 -20.002 0.000) 20.002 10.334 ( 0.000 20.002 0.000) 20.002 10.467 ( 0.000 -7.552 0.000) 7.552 10.467 ( 0.000 7.552 0.000) 7.552 11.523 ( 0.000 -0.229 0.000) 0.229 11.523 ( 0.000 0.229 0.000) 0.229 11.556 ( 0.000 -4.206 0.000) 4.206 11.556 ( 0.000 4.206 0.000) 4.206 11.967 ( 0.000 -0.901 0.000) 0.901 11.967 ( 0.000 0.901 0.000) 0.901 12.339 ( 0.000 -11.570 0.000) 11.570 12.339 ( 0.000 11.570 0.000) 11.570 12.574 ( 0.000 -1.984 0.000) 1.984 12.574 ( 0.000 1.984 0.000) 1.984 13.316 ( 0.000 -7.033 0.000) 7.033 13.316 ( 0.000 7.033 0.000) 7.033 14.683 ( 0.000 -13.724 0.000) 13.724 14.683 ( 0.000 13.724 0.000) 13.724 14.961 ( 0.000 -20.234 0.000) 20.234 14.961 ( 0.000 20.234 0.000) 20.234 19.509 ( 0.000 -4.848 0.000) 4.848 19.509 ( 0.000 4.848 0.000) 4.848 19.755 ( 0.000 -17.636 0.000) 17.636 19.755 ( 0.000 17.636 0.000) 17.636 20.733 ( 0.000 -7.927 0.000) 7.927 20.733 ( 0.000 7.927 0.000) 7.927 21.411 ( 0.000 -2.041 0.000) 2.041 21.411 ( 0.000 2.041 0.000) 2.041 22.270 ( 0.000 -1.911 0.000) 1.911 22.270 ( 0.000 1.911 0.000) 1.911 22.764 ( 0.000 -0.280 0.000) 0.280 22.764 ( 0.000 0.280 0.000) 0.280 23.174 ( 0.000 -1.123 0.000) 1.123 23.174 ( 0.000 1.123 0.000) 1.123 23.838 ( 0.000 -10.707 0.000) 10.707 23.838 ( 0.000 10.707 0.000) 10.707 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 4.216 -19.961 0.000) 20.402 2.218 ( 4.216 19.961 0.000) 20.402 2.218 ( 5.764 -22.056 0.000) 22.797 2.218 ( 5.764 22.056 0.000) 22.797 2.541 ( -4.886 -13.001 0.000) 13.888 2.541 ( -4.886 13.001 0.000) 13.888 2.703 ( -14.922 -10.126 0.000) 18.033 2.703 ( -14.922 10.126 0.000) 18.033 3.492 ( 10.548 -7.889 0.000) 13.172 3.492 ( 10.548 7.889 0.000) 13.172 3.623 ( 5.742 -12.456 0.000) 13.716 3.623 ( 5.742 12.456 0.000) 13.716 4.050 ( 3.132 -14.623 0.000) 14.954 4.050 ( 3.132 14.623 0.000) 14.954 4.249 ( -2.318 -11.194 0.000) 11.432 4.249 ( -2.318 11.194 0.000) 11.432 4.302 ( 2.073 -3.667 0.000) 4.213 4.302 ( 2.073 3.667 0.000) 4.213 4.650 ( -9.053 -6.912 0.000) 11.390 4.650 ( -9.053 6.912 0.000) 11.390 4.691 ( 3.193 -9.158 0.000) 9.699 4.691 ( 3.193 9.158 0.000) 9.699 4.894 ( -4.059 -4.221 0.000) 5.856 4.894 ( -4.059 4.221 0.000) 5.856 5.947 ( 0.675 -7.548 0.000) 7.578 5.947 ( 0.675 7.548 0.000) 7.578 6.125 ( -4.429 -6.494 0.000) 7.860 6.125 ( -4.429 6.494 0.000) 7.860 6.469 ( 10.481 -5.109 0.000) 11.660 6.469 ( 10.481 5.109 0.000) 11.660 6.886 ( -6.679 -1.496 0.000) 6.844 6.886 ( -6.679 1.496 0.000) 6.844 7.083 ( 1.776 -6.197 0.000) 6.447 7.083 ( 1.776 6.197 0.000) 6.447 7.113 ( -0.140 -0.625 0.000) 0.641 7.113 ( -0.140 0.625 0.000) 0.641 7.427 ( 3.525 -10.273 0.000) 10.861 7.427 ( 3.525 10.273 0.000) 10.861 7.646 ( -4.194 -10.471 0.000) 11.279 7.646 ( -4.194 10.471 0.000) 11.279 8.295 ( -0.046 -3.354 0.000) 3.354 8.295 ( -0.046 3.354 0.000) 3.354 8.398 ( -2.067 -6.567 0.000) 6.885 8.398 ( -2.067 6.567 0.000) 6.885 8.790 ( 5.762 -10.465 0.000) 11.946 8.790 ( 5.762 10.465 0.000) 11.946 9.017 ( -3.565 -3.438 0.000) 4.953 9.017 ( -3.565 3.438 0.000) 4.953 10.354 ( 1.698 -18.957 0.000) 19.033 10.354 ( 1.698 18.957 0.000) 19.033 10.449 ( -1.579 -10.730 0.000) 10.845 10.449 ( -1.579 10.730 0.000) 10.845 11.529 ( 0.481 -1.486 0.000) 1.562 11.529 ( 0.481 1.486 0.000) 1.562 11.551 ( -0.373 -4.532 0.000) 4.547 11.551 ( -0.373 4.532 0.000) 4.547 12.028 ( 5.019 -3.001 0.000) 5.847 12.028 ( 5.019 3.001 0.000) 5.847 12.291 ( -4.249 -9.746 0.000) 10.632 12.291 ( -4.249 9.746 0.000) 10.632 12.656 ( 7.303 -4.121 0.000) 8.386 12.656 ( 7.303 4.121 0.000) 8.386 13.172 ( -11.442 -5.999 0.000) 12.919 13.172 ( -11.442 5.999 0.000) 12.919 14.745 ( 4.651 -15.809 0.000) 16.479 14.745 ( 4.651 15.809 0.000) 16.479 14.933 ( -2.485 -19.804 0.000) 19.959 14.933 ( -2.485 19.804 0.000) 19.959 19.539 ( 2.592 -7.283 0.000) 7.731 19.539 ( 2.592 7.283 0.000) 7.731 19.712 ( -3.580 -16.008 0.000) 16.403 19.712 ( -3.580 16.008 0.000) 16.403 20.783 ( 4.522 -9.650 0.000) 10.657 20.783 ( 4.522 9.650 0.000) 10.657 21.208 ( -13.403 -10.859 0.000) 17.250 21.208 ( -13.403 10.859 0.000) 17.250 22.457 ( 11.439 -5.693 0.000) 12.777 22.457 ( 11.439 5.693 0.000) 12.777 22.740 ( -2.214 -3.043 0.000) 3.763 22.740 ( -2.214 3.043 0.000) 3.763 23.277 ( 9.034 -2.288 0.000) 9.319 23.277 ( 9.034 2.288 0.000) 9.319 23.755 ( -7.276 -9.851 0.000) 12.247 23.755 ( -7.276 9.851 0.000) 12.247 ======================= Grid point 24 (15/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -0.111 -7.427 0.000) 7.428 2.360 ( 0.111 -7.427 0.000) 7.428 2.360 ( -0.111 7.427 0.000) 7.428 2.360 ( 0.111 7.427 0.000) 7.428 2.420 ( -3.411 -8.591 0.000) 9.243 2.420 ( 3.411 -8.591 0.000) 9.243 2.420 ( -3.411 8.591 0.000) 9.243 2.420 ( 3.411 8.591 0.000) 9.243 3.662 ( -3.543 -6.998 0.000) 7.843 3.662 ( 3.543 -6.998 0.000) 7.843 3.662 ( -3.543 6.998 0.000) 7.843 3.662 ( 3.543 6.998 0.000) 7.843 4.168 ( -5.404 -15.323 0.000) 16.248 4.168 ( 5.404 -15.323 0.000) 16.248 4.168 ( -5.404 15.323 0.000) 16.248 4.168 ( 5.404 15.323 0.000) 16.248 4.414 ( -9.263 -9.794 0.000) 13.480 4.414 ( 9.263 -9.794 0.000) 13.480 4.414 ( -9.263 9.794 0.000) 13.480 4.414 ( 9.263 9.794 0.000) 13.480 4.788 ( -5.026 -6.978 0.000) 8.600 4.788 ( 5.026 -6.978 0.000) 8.600 4.788 ( -5.026 6.978 0.000) 8.600 4.788 ( 5.026 6.978 0.000) 8.600 6.014 ( -4.750 -7.167 0.000) 8.598 6.014 ( 4.750 -7.167 0.000) 8.598 6.014 ( -4.750 7.167 0.000) 8.598 6.014 ( 4.750 7.167 0.000) 8.598 6.704 ( -9.670 -4.603 0.000) 10.710 6.704 ( -9.670 4.603 0.000) 10.710 6.704 ( 9.670 -4.603 0.000) 10.710 6.704 ( 9.670 4.603 0.000) 10.710 7.106 ( -0.537 -2.731 0.000) 2.783 7.106 ( 0.537 -2.731 0.000) 2.783 7.106 ( -0.537 2.731 0.000) 2.783 7.106 ( 0.537 2.731 0.000) 2.783 7.531 ( -5.422 -10.981 0.000) 12.247 7.531 ( 5.422 -10.981 0.000) 12.247 7.531 ( -5.422 10.981 0.000) 12.247 7.531 ( 5.422 10.981 0.000) 12.247 8.334 ( -3.091 -6.094 0.000) 6.833 8.334 ( 3.091 -6.094 0.000) 6.833 8.334 ( -3.091 6.094 0.000) 6.833 8.334 ( 3.091 6.094 0.000) 6.833 8.917 ( -5.254 -6.209 0.000) 8.134 8.917 ( 5.254 -6.209 0.000) 8.134 8.917 ( -5.254 6.209 0.000) 8.134 8.917 ( 5.254 6.209 0.000) 8.134 10.402 ( -2.387 -15.673 0.000) 15.853 10.402 ( 2.387 -15.673 0.000) 15.853 10.402 ( -2.387 15.673 0.000) 15.853 10.402 ( 2.387 15.673 0.000) 15.853 11.541 ( -0.510 -3.639 0.000) 3.674 11.541 ( 0.510 -3.639 0.000) 3.674 11.541 ( -0.510 3.639 0.000) 3.674 11.541 ( 0.510 3.639 0.000) 3.674 12.164 ( -6.535 -6.201 0.000) 9.009 12.164 ( 6.535 -6.201 0.000) 9.009 12.164 ( -6.535 6.201 0.000) 9.009 12.164 ( 6.535 6.201 0.000) 9.009 12.886 ( -12.682 -4.964 0.000) 13.619 12.886 ( -12.682 4.964 0.000) 13.619 12.886 ( 12.682 -4.964 0.000) 13.619 12.886 ( 12.682 4.964 0.000) 13.619 14.853 ( -4.516 -18.407 0.000) 18.953 14.853 ( 4.516 -18.407 0.000) 18.953 14.853 ( -4.516 18.407 0.000) 18.953 14.853 ( 4.516 18.407 0.000) 18.953 19.618 ( -4.275 -11.874 0.000) 12.620 19.618 ( 4.275 -11.874 0.000) 12.620 19.618 ( -4.275 11.874 0.000) 12.620 19.618 ( 4.275 11.874 0.000) 12.620 20.940 ( -9.701 -12.328 0.000) 15.687 20.940 ( 9.701 -12.328 0.000) 15.687 20.940 ( -9.701 12.328 0.000) 15.687 20.940 ( 9.701 12.328 0.000) 15.687 22.654 ( -5.951 -5.857 0.000) 8.350 22.654 ( 5.951 -5.857 0.000) 8.350 22.654 ( -5.951 5.857 0.000) 8.350 22.654 ( 5.951 5.857 0.000) 8.350 23.531 ( -12.069 -6.682 0.000) 13.795 23.531 ( 12.069 -6.682 0.000) 13.795 23.531 ( -12.069 6.682 0.000) 13.795 23.531 ( 12.069 6.682 0.000) 13.795 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.000 0.000 27.316) 27.316 0.573 ( 0.000 0.000 29.490) 29.490 1.017 ( 0.000 0.000 51.563) 51.563 1.857 ( 0.000 0.000 3.769) 3.769 2.125 ( 0.000 0.000 6.254) 6.254 2.387 ( 0.000 0.000 -2.434) 2.434 2.949 ( 0.000 0.000 -3.792) 3.792 2.952 ( 0.000 0.000 -3.650) 3.650 3.238 ( 0.000 0.000 -4.033) 4.033 3.268 ( 0.000 0.000 -4.207) 4.207 3.416 ( 0.000 0.000 -3.647) 3.647 3.494 ( 0.000 0.000 3.557) 3.557 3.699 ( 0.000 0.000 -1.800) 1.800 3.829 ( 0.000 0.000 -12.168) 12.168 4.079 ( 0.000 0.000 -0.561) 0.561 4.373 ( 0.000 0.000 14.136) 14.136 4.399 ( 0.000 0.000 -4.362) 4.362 4.610 ( 0.000 0.000 4.022) 4.022 4.787 ( 0.000 0.000 3.079) 3.079 4.814 ( 0.000 0.000 -0.226) 0.226 4.873 ( 0.000 0.000 -8.232) 8.232 4.921 ( 0.000 0.000 0.913) 0.913 4.983 ( 0.000 0.000 -1.461) 1.461 5.265 ( 0.000 0.000 -1.781) 1.781 5.339 ( 0.000 0.000 -8.583) 8.583 5.595 ( 0.000 0.000 -3.499) 3.499 5.877 ( 0.000 0.000 7.184) 7.184 5.878 ( 0.000 0.000 0.821) 0.821 5.969 ( 0.000 0.000 1.967) 1.967 6.189 ( 0.000 0.000 6.905) 6.905 6.387 ( 0.000 0.000 -0.356) 0.356 6.437 ( 0.000 0.000 1.351) 1.351 6.610 ( 0.000 0.000 -8.530) 8.530 6.977 ( 0.000 0.000 2.241) 2.241 7.425 ( 0.000 0.000 -7.002) 7.002 7.549 ( 0.000 0.000 -6.719) 6.719 7.670 ( 0.000 0.000 -6.948) 6.948 7.741 ( 0.000 0.000 9.312) 9.312 7.818 ( 0.000 0.000 -3.655) 3.655 8.212 ( 0.000 0.000 2.672) 2.672 8.535 ( 0.000 0.000 -2.715) 2.715 8.552 ( 0.000 0.000 3.886) 3.886 8.710 ( 0.000 0.000 -4.008) 4.008 8.725 ( 0.000 0.000 4.053) 4.053 8.858 ( 0.000 0.000 -2.922) 2.922 8.965 ( 0.000 0.000 2.148) 2.148 9.024 ( 0.000 0.000 2.436) 2.436 9.025 ( 0.000 0.000 1.537) 1.537 9.491 ( 0.000 0.000 -4.805) 4.805 9.536 ( 0.000 0.000 -4.118) 4.118 10.811 ( 0.000 0.000 -4.458) 4.458 10.981 ( 0.000 0.000 -5.160) 5.160 11.085 ( 0.000 0.000 0.252) 0.252 11.204 ( 0.000 0.000 -3.958) 3.958 11.437 ( 0.000 0.000 6.026) 6.026 11.638 ( 0.000 0.000 4.110) 4.110 12.016 ( 0.000 0.000 -7.696) 7.696 12.184 ( 0.000 0.000 2.718) 2.718 12.278 ( 0.000 0.000 -13.988) 13.988 12.279 ( 0.000 0.000 -1.321) 1.321 12.410 ( 0.000 0.000 -0.603) 0.603 12.658 ( 0.000 0.000 10.289) 10.289 12.804 ( 0.000 0.000 -0.561) 0.561 13.235 ( 0.000 0.000 6.486) 6.486 13.949 ( 0.000 0.000 6.984) 6.984 15.389 ( 0.000 0.000 -1.910) 1.910 15.865 ( 0.000 0.000 -0.238) 0.238 16.211 ( 0.000 0.000 -1.239) 1.239 18.709 ( 0.000 0.000 0.006) 0.006 18.736 ( 0.000 0.000 -0.098) 0.098 18.745 ( 0.000 0.000 -0.055) 0.055 18.751 ( 0.000 0.000 -0.024) 0.024 20.562 ( 0.000 0.000 0.550) 0.550 20.713 ( 0.000 0.000 -0.086) 0.086 21.281 ( 0.000 0.000 -2.421) 2.421 21.423 ( 0.000 0.000 -1.084) 1.084 22.158 ( 0.000 0.000 0.228) 0.228 22.341 ( 0.000 0.000 -1.803) 1.803 22.775 ( 0.000 0.000 -3.137) 3.137 23.085 ( 0.000 0.000 -3.769) 3.769 23.334 ( 0.000 0.000 8.319) 8.319 23.526 ( 0.000 0.000 6.539) 6.539 23.989 ( 0.000 0.000 1.282) 1.282 25.043 ( 0.000 0.000 -6.346) 6.346 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 21.653 0.000 16.112) 26.990 0.945 ( 22.776 0.000 20.676) 30.761 1.564 ( 38.239 0.000 27.294) 46.981 1.704 ( -12.756 0.000 4.877) 13.656 1.945 ( -11.953 0.000 9.677) 15.379 2.461 ( 5.714 0.000 -2.740) 6.337 2.782 ( -7.701 0.000 -3.703) 8.545 3.108 ( 6.864 0.000 -3.733) 7.813 3.269 ( -2.676 0.000 -4.517) 5.251 3.321 ( 3.227 0.000 -3.164) 4.519 3.359 ( -13.559 0.000 -3.312) 13.957 3.372 ( -3.890 0.000 -3.940) 5.536 3.614 ( 0.297 0.000 4.313) 4.323 3.891 ( -3.021 0.000 -1.692) 3.462 4.100 ( 2.649 0.000 0.725) 2.746 4.264 ( -0.833 0.000 5.381) 5.445 4.358 ( -5.126 0.000 -0.733) 5.179 4.631 ( 3.800 0.000 -1.901) 4.248 4.663 ( -7.875 0.000 2.121) 8.156 4.852 ( -2.816 0.000 -9.111) 9.536 4.882 ( 3.288 0.000 -4.219) 5.348 4.981 ( 0.400 0.000 0.309) 0.505 5.043 ( 5.144 0.000 0.176) 5.147 5.261 ( 1.392 0.000 -2.248) 2.644 5.292 ( -4.014 0.000 -5.488) 6.800 5.465 ( -7.383 0.000 -0.960) 7.445 5.885 ( 2.661 0.000 1.762) 3.192 5.945 ( 3.190 0.000 2.583) 4.104 6.144 ( 9.030 0.000 -1.978) 9.244 6.175 ( -0.843 0.000 7.276) 7.325 6.334 ( -2.975 0.000 -2.328) 3.777 6.345 ( -6.864 0.000 2.548) 7.321 6.695 ( 7.831 0.000 -3.395) 8.536 7.037 ( 0.247 0.000 -1.255) 1.279 7.459 ( 2.218 0.000 -7.102) 7.440 7.534 ( -1.140 0.000 -6.477) 6.577 7.547 ( -5.511 0.000 8.472) 10.107 7.643 ( -3.269 0.000 -5.000) 5.974 7.850 ( 9.156 0.000 8.419) 12.439 8.376 ( -11.325 0.000 5.040) 12.396 8.399 ( 5.790 0.000 -3.416) 6.722 8.517 ( 0.838 0.000 -1.741) 1.932 8.522 ( -3.658 0.000 -2.737) 4.569 8.749 ( -4.051 0.000 1.771) 4.421 8.843 ( 6.246 0.000 3.258) 7.045 9.009 ( -1.458 0.000 2.539) 2.928 9.029 ( 7.502 0.000 3.475) 8.267 9.407 ( 0.378 0.000 -10.912) 10.919 9.490 ( 0.015 0.000 -4.673) 4.673 9.523 ( -1.015 0.000 -4.176) 4.297 10.828 ( 1.510 0.000 -4.452) 4.701 10.944 ( -2.857 0.000 -4.813) 5.597 11.122 ( 3.075 0.000 0.154) 3.079 11.283 ( -1.734 0.000 -2.958) 3.429 11.664 ( 13.264 0.000 -10.418) 16.867 11.711 ( 6.004 0.000 3.528) 6.964 11.968 ( -3.794 0.000 -5.796) 6.927 12.064 ( -8.023 0.000 2.359) 8.362 12.291 ( 4.585 0.000 -8.452) 9.615 12.452 ( 4.293 0.000 -18.366) 18.861 12.517 ( 6.815 0.000 -0.178) 6.817 12.713 ( 8.233 0.000 6.545) 10.517 12.767 ( -3.300 0.000 -0.474) 3.334 13.173 ( -5.783 0.000 3.558) 6.790 13.975 ( 2.614 0.000 10.492) 10.813 14.498 ( -31.174 0.000 33.888) 46.045 16.141 ( 4.865 0.000 -6.399) 8.038 16.209 ( -0.277 0.000 -1.518) 1.544 18.714 ( 0.397 0.000 -0.027) 0.398 18.735 ( -0.206 0.000 -0.139) 0.248 18.743 ( -0.040 0.000 -0.005) 0.040 18.750 ( -0.143 0.000 -0.000) 0.143 20.576 ( 1.912 0.000 0.187) 1.921 20.710 ( -2.390 0.000 1.925) 3.069 21.266 ( 5.015 0.000 -3.222) 5.961 21.595 ( -3.429 0.000 -7.351) 8.112 22.239 ( 8.435 0.000 -2.389) 8.767 22.585 ( 6.426 0.000 -5.602) 8.525 22.700 ( -1.002 0.000 -8.673) 8.731 23.000 ( -6.296 0.000 -4.866) 7.957 23.318 ( 2.715 0.000 8.528) 8.950 23.469 ( -2.182 0.000 5.632) 6.040 24.368 ( 17.212 0.000 -8.393) 19.149 24.883 ( -10.110 0.000 1.148) 10.175 ======================= Grid point 47 (18/90) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -20.357 0.000 8.375) 22.012 1.327 ( 20.357 0.000 8.375) 22.012 1.460 ( -22.299 0.000 12.921) 25.772 1.460 ( 22.299 0.000 12.921) 25.772 2.592 ( -41.961 0.000 11.036) 43.388 2.592 ( 41.961 0.000 11.036) 43.388 2.612 ( -7.421 0.000 -3.341) 8.138 2.612 ( 7.421 0.000 -3.341) 8.138 3.255 ( -6.181 0.000 -3.941) 7.331 3.255 ( 6.181 0.000 -3.941) 7.331 3.358 ( -1.220 0.000 -1.365) 1.831 3.358 ( 1.220 0.000 -1.365) 1.831 3.720 ( -7.995 0.000 -1.911) 8.221 3.720 ( 7.995 0.000 -1.911) 8.221 4.209 ( -6.691 0.000 1.474) 6.852 4.209 ( 6.691 0.000 1.474) 6.852 4.438 ( -11.350 0.000 1.120) 11.406 4.438 ( 11.350 0.000 1.120) 11.406 4.752 ( -5.699 0.000 -7.174) 9.162 4.752 ( 5.699 0.000 -7.174) 9.162 4.947 ( -2.524 0.000 -1.685) 3.035 4.947 ( 2.524 0.000 -1.685) 3.035 5.175 ( -6.077 0.000 -1.302) 6.215 5.175 ( 6.077 0.000 -1.302) 6.215 5.330 ( -4.567 0.000 -1.472) 4.799 5.330 ( 4.567 0.000 -1.472) 4.799 5.961 ( -2.537 0.000 0.003) 2.537 5.961 ( 2.537 0.000 0.003) 2.537 6.203 ( -4.400 0.000 6.189) 7.593 6.203 ( 4.400 0.000 6.189) 7.593 6.270 ( -3.215 0.000 -3.885) 5.042 6.270 ( 3.215 0.000 -3.885) 5.042 6.915 ( -9.748 0.000 1.043) 9.804 6.915 ( 9.748 0.000 1.043) 9.804 7.503 ( -1.675 0.000 -6.652) 6.859 7.503 ( 1.675 0.000 -6.652) 6.859 7.559 ( -3.773 0.000 -0.880) 3.874 7.559 ( 3.773 0.000 -0.880) 3.874 8.104 ( -12.555 0.000 6.596) 14.182 8.104 ( 12.555 0.000 6.596) 14.182 8.459 ( -2.359 0.000 -3.278) 4.039 8.459 ( 2.359 0.000 -3.278) 4.039 8.633 ( -6.266 0.000 -0.182) 6.269 8.633 ( 6.266 0.000 -0.182) 6.269 8.954 ( -3.602 0.000 2.783) 4.552 8.954 ( 3.602 0.000 2.783) 4.552 9.244 ( -10.694 0.000 -0.812) 10.725 9.244 ( 10.694 0.000 -0.812) 10.725 9.499 ( -0.885 0.000 -4.387) 4.475 9.499 ( 0.885 0.000 -4.387) 4.475 10.877 ( -2.791 0.000 -4.504) 5.299 10.877 ( 2.791 0.000 -4.504) 5.299 11.207 ( -4.134 0.000 -0.342) 4.148 11.207 ( 4.134 0.000 -0.342) 4.148 11.861 ( -5.974 0.000 -6.253) 8.648 11.861 ( 5.974 0.000 -6.253) 8.648 11.877 ( -8.319 0.000 2.725) 8.754 11.877 ( 8.319 0.000 2.725) 8.754 12.411 ( -5.053 0.000 -11.491) 12.553 12.411 ( 5.053 0.000 -11.491) 12.553 12.663 ( -5.852 0.000 -0.272) 5.859 12.663 ( 5.852 0.000 -0.272) 5.859 12.975 ( -11.654 0.000 -0.774) 11.680 12.975 ( 11.654 0.000 -0.774) 11.680 14.094 ( -9.299 0.000 20.562) 22.567 14.094 ( 9.299 0.000 20.562) 22.567 16.194 ( -1.169 0.000 -2.706) 2.947 16.194 ( 1.169 0.000 -2.706) 2.947 18.725 ( -0.545 0.000 -0.101) 0.554 18.725 ( 0.545 0.000 -0.101) 0.554 18.746 ( -0.206 0.000 0.015) 0.207 18.746 ( 0.206 0.000 0.015) 0.207 20.638 ( -3.372 0.000 1.096) 3.546 20.638 ( 3.372 0.000 1.096) 3.546 21.430 ( -8.647 0.000 -3.696) 9.404 21.430 ( 8.647 0.000 -3.696) 9.404 22.445 ( -9.447 0.000 -1.153) 9.517 22.445 ( 9.447 0.000 -1.153) 9.517 22.854 ( -7.134 0.000 -9.714) 12.052 22.854 ( 7.134 0.000 -9.714) 12.052 23.405 ( -3.792 0.000 6.410) 7.448 23.405 ( 3.792 0.000 6.410) 7.448 24.658 ( -10.451 0.000 -1.792) 10.604 24.658 ( 10.451 0.000 -1.792) 10.604 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.000 19.035 20.963) 28.315 0.820 ( 0.000 20.918 19.421) 28.543 1.384 ( 0.000 32.641 33.876) 47.043 2.083 ( 0.000 19.664 3.184) 19.920 2.157 ( 0.000 5.028 5.581) 7.511 2.449 ( 0.000 5.778 -1.226) 5.907 2.963 ( 0.000 0.231 -0.615) 0.657 3.049 ( 0.000 5.983 -3.624) 6.995 3.195 ( 0.000 -4.883 -2.013) 5.282 3.230 ( 0.000 -1.192 -5.208) 5.342 3.474 ( 0.000 3.658 -1.927) 4.135 3.516 ( 0.000 3.615 0.297) 3.627 3.621 ( 0.000 -6.635 -0.176) 6.637 3.799 ( 0.000 -1.131 -9.245) 9.314 4.070 ( 0.000 -0.934 -2.799) 2.951 4.409 ( 0.000 3.788 9.406) 10.140 4.490 ( 0.000 0.291 -3.705) 3.716 4.623 ( 0.000 3.045 -4.992) 5.847 4.731 ( 0.000 -5.256 0.165) 5.259 4.825 ( 0.000 -4.979 -6.058) 7.842 4.829 ( 0.000 -3.961 -0.665) 4.016 4.941 ( 0.000 2.708 -0.273) 2.722 5.133 ( 0.000 14.003 -0.928) 14.034 5.140 ( 0.000 -6.559 -5.490) 8.553 5.478 ( 0.000 7.709 -3.508) 8.469 5.489 ( 0.000 -8.508 0.926) 8.558 5.899 ( 0.000 1.471 -1.615) 2.185 5.962 ( 0.000 6.832 5.112) 8.533 5.996 ( 0.000 3.744 3.711) 5.272 6.281 ( 0.000 8.405 5.115) 9.839 6.423 ( 0.000 3.813 0.263) 3.822 6.456 ( 0.000 -0.317 0.021) 0.318 6.637 ( 0.000 3.984 -8.268) 9.178 6.969 ( 0.000 -0.418 1.875) 1.921 7.391 ( 0.000 -12.992 10.990) 17.017 7.527 ( 0.000 -2.404 -7.637) 8.007 7.568 ( 0.000 7.707 -9.711) 12.398 7.651 ( 0.000 -1.789 -4.317) 4.673 7.936 ( 0.000 4.032 5.260) 6.628 8.085 ( 0.000 -10.865 3.053) 11.286 8.462 ( 0.000 -6.999 -2.990) 7.611 8.516 ( 0.000 -5.631 1.889) 5.939 8.626 ( 0.000 4.661 2.688) 5.381 8.674 ( 0.000 -11.453 0.727) 11.476 8.681 ( 0.000 -6.065 2.130) 6.428 8.947 ( 0.000 -3.078 -2.724) 4.111 9.088 ( 0.000 2.625 0.115) 2.628 9.237 ( 0.000 9.294 3.431) 9.907 9.504 ( 0.000 -1.385 -3.878) 4.118 9.811 ( 0.000 15.092 -17.844) 23.370 10.867 ( 0.000 4.337 -5.357) 6.893 10.887 ( 0.000 -7.646 -4.857) 9.058 11.130 ( 0.000 4.467 -0.086) 4.468 11.251 ( 0.000 3.393 -5.187) 6.198 11.500 ( 0.000 5.682 6.963) 8.987 11.692 ( 0.000 -3.265 -0.349) 3.283 11.969 ( 0.000 -5.391 -5.557) 7.742 12.145 ( 0.000 2.717 -1.501) 3.104 12.220 ( 0.000 -5.322 -12.753) 13.819 12.419 ( 0.000 0.850 -0.869) 1.216 12.613 ( 0.000 4.959 -1.598) 5.210 12.808 ( 0.000 26.144 -13.579) 29.460 12.827 ( 0.000 1.210 -3.226) 3.445 13.193 ( 0.000 -3.379 8.512) 9.158 13.990 ( 0.000 4.116 6.885) 8.021 15.074 ( 0.000 -35.385 39.601) 53.107 15.333 ( 0.000 -5.522 -1.657) 5.765 16.072 ( 0.000 -12.814 -0.363) 12.819 18.830 ( 0.000 8.369 -0.207) 8.371 18.837 ( 0.000 8.420 -0.057) 8.420 18.866 ( 0.000 14.253 -0.665) 14.268 19.901 ( 0.000 54.794 -57.650) 79.535 20.532 ( 0.000 -1.832 -0.599) 1.927 20.693 ( 0.000 -1.977 -0.193) 1.987 21.286 ( 0.000 0.461 -2.775) 2.813 21.390 ( 0.000 -3.138 -1.624) 3.533 22.160 ( 0.000 0.350 0.215) 0.410 22.335 ( 0.000 -0.576 -1.700) 1.795 22.772 ( 0.000 -0.305 -2.750) 2.767 23.068 ( 0.000 -2.034 -3.416) 3.975 23.327 ( 0.000 -0.664 8.428) 8.454 23.541 ( 0.000 1.567 6.016) 6.217 23.650 ( 0.000 -23.825 26.949) 35.970 24.696 ( 0.000 -18.694 5.842) 19.586 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 19.384 15.507 14.367) 28.681 1.081 ( 18.410 13.137 18.281) 29.081 1.785 ( 21.236 18.796 17.051) 33.090 1.901 ( -14.208 16.609 4.706) 22.358 2.017 ( -2.148 10.339 11.956) 15.951 2.536 ( 6.140 7.433 -1.555) 9.766 2.850 ( -6.738 5.051 -2.152) 8.691 3.173 ( 6.601 3.286 -1.897) 7.613 3.224 ( 1.774 -4.777 -1.943) 5.454 3.257 ( -1.813 -4.251 -5.403) 7.109 3.333 ( -10.663 0.487 -1.765) 10.819 3.489 ( -0.407 7.426 -4.290) 8.586 3.586 ( -3.710 -0.218 1.031) 3.856 3.827 ( -1.031 -4.732 -0.593) 4.879 4.108 ( 2.657 0.035 -0.943) 2.820 4.248 ( -5.695 0.980 6.041) 8.360 4.466 ( -6.177 5.424 -2.271) 8.528 4.546 ( -0.346 -2.500 1.003) 2.716 4.761 ( 0.023 0.979 -3.987) 4.106 4.801 ( -0.461 -4.970 -8.358) 9.735 4.827 ( -0.753 -3.469 -1.358) 3.800 4.906 ( -1.511 -1.722 0.368) 2.320 5.132 ( 2.268 -4.789 -3.365) 6.277 5.232 ( 1.995 7.869 -4.727) 9.394 5.399 ( -4.379 -3.567 2.799) 6.304 5.439 ( -2.935 8.591 -2.095) 9.317 5.949 ( 2.858 5.048 -0.508) 5.823 5.995 ( 3.171 5.189 3.320) 6.929 6.119 ( 6.357 -1.140 -0.249) 6.463 6.245 ( -2.639 6.377 4.486) 8.231 6.380 ( -1.859 5.553 -0.581) 5.885 6.445 ( -2.570 7.305 1.326) 7.857 6.670 ( 5.154 -1.503 -4.360) 6.916 6.959 ( -1.931 -4.834 0.388) 5.220 7.412 ( 2.079 -8.583 6.506) 10.968 7.515 ( -0.469 -2.613 -6.403) 6.932 7.571 ( -0.936 5.407 -7.491) 9.286 7.625 ( -2.041 -0.692 -3.015) 3.707 7.925 ( 4.930 4.924 6.707) 9.672 8.191 ( 2.262 -11.368 1.491) 11.686 8.422 ( -3.988 -4.405 -1.926) 6.246 8.462 ( -4.358 -4.573 -1.893) 6.595 8.536 ( 1.420 1.974 1.619) 2.921 8.679 ( -0.487 -7.302 -0.370) 7.327 8.760 ( 3.337 -5.733 3.906) 7.698 8.885 ( -2.341 -1.332 0.958) 2.858 9.221 ( 4.107 -6.857 -1.811) 8.195 9.252 ( 1.295 6.507 2.768) 7.189 9.515 ( 1.348 1.560 -4.034) 4.531 9.737 ( -6.243 12.218 -10.139) 17.060 10.888 ( 1.839 4.623 -5.516) 7.428 10.962 ( 1.615 -1.874 -7.651) 8.041 11.164 ( 2.855 3.894 -0.258) 4.835 11.290 ( 0.647 0.478 -4.291) 4.366 11.514 ( 4.274 -1.872 3.461) 5.809 11.717 ( 0.562 -6.857 0.863) 6.934 11.966 ( -0.443 -3.318 -5.679) 6.592 12.040 ( -5.052 2.101 -6.195) 8.266 12.305 ( 5.280 -0.459 -5.303) 7.497 12.481 ( 3.719 -0.457 -0.859) 3.844 12.698 ( -2.245 6.002 6.295) 8.983 12.728 ( 2.652 9.678 -11.073) 14.943 12.801 ( -0.778 3.318 -8.662) 9.309 13.148 ( -4.891 -1.484 3.613) 6.260 14.022 ( 3.051 4.832 9.835) 11.375 14.465 ( -22.788 -1.589 30.342) 37.980 15.797 ( 14.612 -22.907 0.237) 27.172 16.055 ( -1.601 -13.839 -0.483) 13.940 18.824 ( -0.523 8.461 -0.073) 8.477 18.826 ( -0.339 8.266 -0.145) 8.274 18.910 ( 3.391 16.394 -0.996) 16.771 19.354 ( -23.687 42.223 -14.282) 50.476 20.556 ( 2.130 -1.599 -0.347) 2.686 20.692 ( -2.405 -1.626 1.814) 3.423 21.234 ( 4.630 -3.183 -2.815) 6.284 21.562 ( -3.524 -3.229 -7.251) 8.684 22.249 ( 8.379 1.025 -2.381) 8.771 22.576 ( 8.091 -0.914 -6.656) 10.517 22.693 ( -2.379 -0.583 -6.976) 7.394 22.979 ( -6.053 -2.173 -4.182) 7.671 23.319 ( 3.240 0.088 8.804) 9.382 23.477 ( -1.980 0.839 5.133) 5.566 24.120 ( 22.224 -21.675 4.959) 31.437 24.638 ( -5.027 -16.913 4.454) 18.197 ======================= Grid point 52 (21/90) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -20.111 14.340 8.195) 26.024 1.501 ( 20.111 14.340 8.195) 26.024 1.531 ( -19.685 7.624 12.123) 24.343 1.531 ( 19.685 7.624 12.123) 24.343 2.648 ( -15.356 8.754 2.292) 17.824 2.648 ( 15.356 8.754 2.292) 17.824 2.732 ( -15.701 8.191 3.732) 18.098 2.732 ( 15.701 8.191 3.732) 18.098 3.274 ( -1.136 -5.701 -1.091) 5.915 3.274 ( 1.136 -5.701 -1.091) 5.915 3.372 ( -6.707 8.156 -3.301) 11.063 3.372 ( 6.707 8.156 -3.301) 11.063 3.669 ( -8.667 -3.464 -2.154) 9.578 3.669 ( 8.667 -3.464 -2.154) 9.578 4.197 ( -4.989 -1.687 3.666) 6.417 4.197 ( 4.989 -1.687 3.666) 6.417 4.456 ( -6.373 2.227 -1.622) 6.943 4.456 ( 6.373 2.227 -1.622) 6.943 4.772 ( -2.072 -0.320 -6.160) 6.507 4.772 ( 2.072 -0.320 -6.160) 6.507 4.863 ( -2.487 -4.930 -1.396) 5.696 4.863 ( 2.487 -4.930 -1.396) 5.696 5.199 ( -3.373 -3.693 -3.329) 6.008 5.199 ( 3.373 -3.693 -3.329) 6.008 5.379 ( -1.881 8.603 0.770) 8.840 5.379 ( 1.881 8.603 0.770) 8.840 6.020 ( -1.914 5.178 -0.317) 5.529 6.020 ( 1.914 5.178 -0.317) 5.529 6.193 ( -1.680 0.660 1.792) 2.544 6.193 ( 1.680 0.660 1.792) 2.544 6.379 ( -1.932 9.349 -0.155) 9.547 6.379 ( 1.932 9.349 -0.155) 9.547 6.844 ( -8.067 -5.499 0.505) 9.776 6.844 ( 8.067 -5.499 0.505) 9.776 7.477 ( -3.081 -5.064 -3.147) 6.711 7.477 ( 3.081 -5.064 -3.147) 6.711 7.576 ( -1.812 2.666 -2.775) 4.254 7.576 ( 1.812 2.666 -2.775) 4.254 8.100 ( -8.456 -1.035 4.794) 9.775 8.100 ( 8.456 -1.035 4.794) 9.775 8.395 ( -1.933 -5.809 -2.816) 6.739 8.395 ( 1.933 -5.809 -2.816) 6.739 8.621 ( -4.338 -0.584 -0.554) 4.412 8.621 ( 4.338 -0.584 -0.554) 4.412 8.830 ( -2.871 -8.005 2.736) 8.933 8.830 ( 2.871 -8.005 2.736) 8.933 9.264 ( -0.709 -1.700 0.465) 1.900 9.264 ( 0.709 -1.700 0.465) 1.900 9.589 ( -5.605 8.765 -4.806) 11.460 9.589 ( 5.605 8.765 -4.806) 11.460 10.940 ( -2.384 4.054 -6.260) 7.830 10.940 ( 2.384 4.054 -6.260) 7.830 11.239 ( -3.564 2.922 -1.027) 4.722 11.239 ( 3.564 2.922 -1.027) 4.722 11.659 ( -5.867 -10.202 1.190) 11.829 11.659 ( 5.867 -10.202 1.190) 11.829 11.969 ( -1.376 1.762 -6.120) 6.516 11.969 ( 1.376 1.762 -6.120) 6.516 12.448 ( -6.489 2.592 -3.658) 7.887 12.448 ( 6.489 2.592 -3.658) 7.887 12.684 ( -3.992 1.632 -0.939) 4.414 12.684 ( 3.992 1.632 -0.939) 4.414 12.973 ( -10.035 -0.123 -2.593) 10.366 12.973 ( 10.035 -0.123 -2.593) 10.366 14.142 ( -8.429 5.034 18.113) 20.603 14.142 ( 8.429 5.034 18.113) 20.603 15.990 ( -4.686 -17.224 -0.768) 17.866 15.990 ( 4.686 -17.224 -0.768) 17.866 18.820 ( -0.132 8.162 -0.069) 8.163 18.820 ( 0.132 8.162 -0.069) 8.163 19.029 ( -8.175 24.660 -2.879) 26.139 19.029 ( 8.175 24.660 -2.879) 26.139 20.620 ( -3.387 -1.638 0.958) 3.883 20.620 ( 3.387 -1.638 0.958) 3.883 21.396 ( -8.690 -3.374 -3.707) 10.032 21.396 ( 8.690 -3.374 -3.707) 10.032 22.453 ( -9.257 0.763 -1.180) 9.363 22.453 ( 9.257 0.763 -1.180) 9.363 22.838 ( -7.047 -1.690 -9.404) 11.872 22.838 ( 7.047 -1.690 -9.404) 11.872 23.413 ( -3.962 0.807 6.336) 7.516 23.413 ( 3.962 0.807 6.336) 7.516 24.470 ( -10.483 -16.642 1.548) 19.729 24.470 ( 10.483 -16.642 1.548) 19.729 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 23.613 13.403) 27.152 1.289 ( 0.000 24.804 10.307) 26.860 2.049 ( 0.000 26.605 14.245) 30.179 2.347 ( 0.000 17.728 6.948) 19.041 2.541 ( 0.000 23.028 2.822) 23.200 2.587 ( 0.000 6.910 1.115) 6.999 2.915 ( 0.000 -5.922 2.180) 6.311 2.990 ( 0.000 -8.079 -2.056) 8.336 3.041 ( 0.000 -9.453 3.496) 10.079 3.346 ( 0.000 4.073 -4.581) 6.130 3.511 ( 0.000 -0.939 -2.956) 3.102 3.527 ( 0.000 3.244 3.203) 4.559 3.600 ( 0.000 4.349 0.293) 4.359 3.883 ( 0.000 9.340 -4.494) 10.365 4.067 ( 0.000 1.844 -8.955) 9.143 4.484 ( 0.000 -1.184 -3.245) 3.454 4.509 ( 0.000 4.023 0.151) 4.026 4.545 ( 0.000 -9.204 -4.692) 10.331 4.596 ( 0.000 -6.233 -0.421) 6.247 4.678 ( 0.000 -9.682 0.266) 9.686 4.725 ( 0.000 -5.185 0.770) 5.242 4.964 ( 0.000 -2.758 -3.982) 4.844 5.053 ( 0.000 -1.507 -0.159) 1.515 5.297 ( 0.000 -9.119 3.805) 9.881 5.496 ( 0.000 19.959 -2.654) 20.135 5.622 ( 0.000 7.000 -3.353) 7.762 5.965 ( 0.000 6.204 -3.815) 7.283 6.095 ( 0.000 4.938 3.088) 5.824 6.102 ( 0.000 5.845 1.749) 6.101 6.407 ( 0.000 -2.993 0.037) 2.993 6.484 ( 0.000 11.154 4.141) 11.898 6.552 ( 0.000 9.367 0.697) 9.393 6.746 ( 0.000 5.309 -8.894) 10.358 6.992 ( 0.000 3.604 1.615) 3.949 7.198 ( 0.000 -6.432 5.494) 8.459 7.445 ( 0.000 -5.854 -7.376) 9.417 7.605 ( 0.000 -2.629 -0.725) 2.727 7.694 ( 0.000 2.005 -7.887) 8.138 7.824 ( 0.000 -14.797 2.872) 15.073 8.010 ( 0.000 1.629 2.740) 3.188 8.304 ( 0.000 -5.918 -0.912) 5.988 8.445 ( 0.000 -1.711 0.020) 1.711 8.459 ( 0.000 -8.663 0.583) 8.683 8.533 ( 0.000 -7.757 4.354) 8.895 8.675 ( 0.000 -2.268 1.942) 2.986 8.920 ( 0.000 1.838 -2.220) 2.882 9.114 ( 0.000 0.420 1.222) 1.292 9.228 ( 0.000 -8.545 1.348) 8.651 9.632 ( 0.000 13.074 -1.268) 13.135 10.032 ( 0.000 9.103 -12.766) 15.679 10.720 ( 0.000 -8.657 -5.455) 10.233 10.897 ( 0.000 -3.987 -6.775) 7.862 11.254 ( 0.000 7.764 -0.777) 7.803 11.318 ( 0.000 3.275 -6.192) 7.004 11.545 ( 0.000 -7.280 1.693) 7.475 11.628 ( 0.000 6.251 8.653) 10.674 11.945 ( 0.000 2.138 -5.353) 5.764 12.090 ( 0.000 -7.159 -10.758) 12.922 12.168 ( 0.000 0.034 4.337) 4.337 12.444 ( 0.000 1.709 -1.610) 2.348 12.622 ( 0.000 -1.109 0.976) 1.478 12.785 ( 0.000 -6.568 -5.228) 8.395 13.163 ( 0.000 1.598 10.064) 10.190 13.250 ( 0.000 14.185 -17.917) 22.852 14.123 ( 0.000 9.821 5.258) 11.140 14.710 ( 0.000 -4.865 28.432) 28.845 15.177 ( 0.000 -9.952 -1.007) 10.002 15.757 ( 0.000 -17.764 1.184) 17.803 19.061 ( 0.000 13.237 0.093) 13.237 19.063 ( 0.000 14.545 -0.600) 14.557 19.195 ( 0.000 16.886 -1.422) 16.945 20.280 ( 0.000 -6.625 -10.227) 12.185 20.644 ( 0.000 -2.527 -0.583) 2.593 20.703 ( 0.000 13.894 -28.636) 31.829 21.297 ( 0.000 0.599 -3.945) 3.990 21.317 ( 0.000 -3.468 -4.996) 6.082 22.176 ( 0.000 1.248 -0.228) 1.269 22.318 ( 0.000 -1.162 -1.476) 1.879 22.768 ( 0.000 0.015 -1.721) 1.721 22.988 ( 0.000 -5.731 1.729) 5.986 23.308 ( 0.000 -1.158 8.551) 8.629 23.332 ( 0.000 -7.814 23.842) 25.090 23.593 ( 0.000 3.802 4.917) 6.216 24.378 ( 0.000 -14.748 1.810) 14.858 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 14.045 19.604 11.423) 26.684 1.434 ( 12.264 20.761 11.470) 26.702 2.071 ( -8.892 11.546 6.151) 15.818 2.244 ( -17.028 15.652 4.149) 23.498 2.451 ( 16.765 25.848 11.573) 32.911 2.729 ( 5.341 9.396 0.550) 10.822 2.900 ( -1.065 -0.100 0.838) 1.359 3.032 ( 2.234 -10.925 -0.008) 11.151 3.086 ( 2.623 -8.896 1.490) 9.393 3.253 ( -7.520 0.275 -3.098) 8.138 3.461 ( 1.528 9.581 -2.562) 10.034 3.566 ( 0.429 6.061 -2.761) 6.674 3.700 ( 2.761 2.752 0.047) 3.899 3.802 ( -4.911 7.336 -1.138) 8.901 4.104 ( 2.268 0.590 -5.413) 5.899 4.325 ( -11.436 5.832 4.726) 13.679 4.468 ( -2.733 -4.796 -3.219) 6.390 4.534 ( 1.223 0.580 -0.823) 1.585 4.654 ( 0.837 -9.346 -2.630) 9.745 4.676 ( 3.469 -7.601 -5.300) 9.895 4.722 ( -0.952 -6.145 0.998) 6.298 4.902 ( -4.458 -1.876 -4.802) 6.815 5.068 ( 1.044 -1.585 1.252) 2.274 5.213 ( -5.713 -6.863 3.701) 9.666 5.536 ( 2.539 14.731 -3.002) 15.247 5.610 ( -1.099 8.282 -3.307) 8.985 6.037 ( 3.839 3.896 -4.047) 6.804 6.106 ( 0.198 1.265 -1.117) 1.699 6.161 ( 5.530 8.301 4.382) 10.894 6.411 ( -3.469 8.504 1.869) 9.373 6.504 ( 4.666 5.375 1.513) 7.277 6.584 ( 3.482 8.487 1.329) 9.269 6.708 ( -2.879 5.342 -7.378) 9.553 6.919 ( -5.702 2.049 0.958) 6.134 7.249 ( 3.828 -7.232 3.635) 8.954 7.404 ( -2.899 -7.461 -6.122) 10.077 7.599 ( -0.531 -2.323 -0.498) 2.434 7.629 ( -3.045 -1.624 -2.430) 4.221 7.920 ( 5.487 -9.742 -1.077) 11.233 8.027 ( 0.881 -3.319 1.490) 3.743 8.287 ( -1.185 -5.722 -0.983) 5.926 8.375 ( -5.739 -3.983 0.187) 6.988 8.512 ( 3.858 -6.880 1.373) 8.006 8.542 ( 4.469 -0.063 1.890) 4.852 8.729 ( 0.839 -4.008 2.010) 4.561 8.846 ( -5.847 1.549 -0.837) 6.106 9.133 ( 1.637 -2.620 1.186) 3.309 9.216 ( -1.129 -7.783 1.322) 7.975 9.677 ( 3.956 12.789 -2.176) 13.562 9.952 ( -6.194 10.106 -9.063) 14.921 10.819 ( 6.247 -10.580 -7.290) 14.286 10.912 ( 0.954 -5.044 -6.996) 8.677 11.269 ( 1.401 6.548 -1.227) 6.807 11.327 ( 0.244 2.996 -5.299) 6.093 11.531 ( -0.545 -3.050 1.478) 3.432 11.605 ( -1.986 2.425 5.638) 6.450 11.958 ( 1.028 1.944 -5.891) 6.288 12.027 ( -2.645 -1.989 -7.397) 8.104 12.282 ( 7.484 -2.151 3.857) 8.690 12.487 ( 2.845 1.468 -1.216) 3.424 12.675 ( 2.018 -3.401 5.240) 6.565 12.777 ( 2.074 -3.735 -7.073) 8.263 12.977 ( -12.304 6.999 -0.502) 14.164 13.182 ( -7.263 4.472 -5.352) 10.070 14.176 ( 4.353 10.837 7.103) 13.669 14.500 ( -11.161 5.795 20.367) 23.936 15.402 ( 12.337 -17.322 1.490) 21.318 15.724 ( -2.981 -18.240 1.118) 18.516 19.046 ( -0.699 13.292 0.006) 13.310 19.055 ( -0.639 14.230 -0.456) 14.252 19.278 ( 6.951 18.005 -2.057) 19.409 19.954 ( -23.706 13.878 -12.651) 30.242 20.561 ( -0.692 3.273 -4.322) 5.466 20.672 ( -3.416 1.670 0.208) 3.808 21.140 ( 3.322 -6.200 -1.688) 7.233 21.469 ( -4.329 -6.026 -6.997) 10.199 22.280 ( 8.377 2.046 -2.440) 8.961 22.543 ( 11.458 -2.555 -8.318) 14.388 22.685 ( -5.267 0.093 -2.980) 6.052 22.914 ( -4.942 -4.128 -2.006) 6.744 23.323 ( 4.660 0.404 9.181) 10.304 23.498 ( 0.988 0.644 4.947) 5.086 23.736 ( 16.836 -13.135 14.504) 25.814 24.314 ( -5.863 -15.764 2.531) 17.009 ======================= Grid point 57 (24/90) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -15.782 14.503 9.854) 23.591 1.750 ( 15.782 14.503 9.854) 23.591 1.808 ( -19.386 15.122 7.394) 25.674 1.808 ( 19.386 15.122 7.394) 25.674 2.812 ( -1.844 0.669 0.653) 2.067 2.812 ( 1.844 0.669 0.653) 2.067 2.943 ( -13.229 10.826 0.645) 17.106 2.943 ( 13.229 10.826 0.645) 17.106 3.118 ( -1.357 -3.812 1.573) 4.341 3.118 ( 1.357 -3.812 1.573) 4.341 3.548 ( -4.308 6.798 -4.674) 9.307 3.548 ( 4.308 6.798 -4.674) 9.307 3.693 ( -3.898 8.198 0.868) 9.119 3.693 ( 3.898 8.198 0.868) 9.119 4.166 ( -4.364 -0.363 2.705) 5.147 4.166 ( 4.364 -0.363 2.705) 5.147 4.487 ( -3.857 -0.598 -3.507) 5.247 4.487 ( 3.857 -0.598 -3.507) 5.247 4.682 ( -1.990 -6.580 0.716) 6.911 4.682 ( 1.990 -6.580 0.716) 6.911 4.793 ( -5.312 -3.918 -6.298) 9.123 4.793 ( 5.312 -3.918 -6.298) 9.123 5.108 ( -3.078 -4.382 2.505) 5.912 5.108 ( 3.078 -4.382 2.505) 5.912 5.580 ( -1.514 10.641 -2.939) 11.142 5.580 ( 1.514 10.641 -2.939) 11.142 6.096 ( -1.348 1.341 -2.955) 3.514 6.096 ( 1.348 1.341 -2.955) 3.514 6.296 ( -6.011 9.954 3.370) 12.107 6.296 ( 6.011 9.954 3.370) 12.107 6.599 ( -3.724 11.195 -2.307) 12.022 6.599 ( 3.724 11.195 -2.307) 12.022 6.762 ( -7.856 -0.868 0.324) 7.911 6.762 ( 7.856 -0.868 0.324) 7.911 7.335 ( -3.464 -8.330 -1.904) 9.220 7.335 ( 3.464 -8.330 -1.904) 9.220 7.591 ( -0.355 -1.933 -0.503) 2.029 7.591 ( 0.355 -1.933 -0.503) 2.029 8.016 ( -2.485 -8.513 -0.284) 8.873 8.016 ( 2.485 -8.513 -0.284) 8.873 8.282 ( -1.694 -3.856 -0.525) 4.244 8.282 ( 1.694 -3.856 -0.525) 4.244 8.615 ( -2.545 -2.414 -0.488) 3.541 8.615 ( 2.545 -2.414 -0.488) 3.541 8.719 ( -2.952 -0.800 2.632) 4.034 8.719 ( 2.952 -0.800 2.632) 4.034 9.178 ( -2.127 -5.882 1.248) 6.378 9.178 ( 2.127 -5.882 1.248) 6.378 9.800 ( -6.695 11.808 -4.752) 14.381 9.800 ( 6.695 11.808 -4.752) 14.381 10.912 ( -1.652 -8.472 -7.523) 11.450 10.912 ( 1.652 -8.472 -7.523) 11.450 11.308 ( -1.736 4.120 -2.748) 5.248 11.308 ( 1.736 4.120 -2.748) 5.248 11.551 ( -2.272 -0.483 1.671) 2.862 11.551 ( 2.272 -0.483 1.671) 2.862 11.985 ( -1.389 1.217 -6.053) 6.328 11.985 ( 1.389 1.217 -6.053) 6.328 12.462 ( -6.831 -2.054 3.795) 8.080 12.462 ( 6.831 -2.054 3.795) 8.080 12.722 ( -6.647 2.676 0.097) 7.166 12.722 ( 6.647 2.676 0.097) 7.166 12.968 ( -10.394 -0.592 -3.976) 11.144 12.968 ( 10.394 -0.592 -3.976) 11.144 14.302 ( -6.947 11.025 12.301) 17.920 14.302 ( 6.947 11.025 12.301) 17.920 15.617 ( -6.904 -19.084 1.113) 20.325 15.617 ( 6.904 -19.084 1.113) 20.325 19.042 ( -0.322 13.629 -0.184) 13.634 19.042 ( 0.322 13.629 -0.184) 13.634 19.512 ( -14.675 20.029 -4.885) 25.306 19.512 ( 14.675 20.029 -4.885) 25.306 20.596 ( -2.953 0.279 0.167) 2.971 20.596 ( 2.953 0.279 0.167) 2.971 21.295 ( -8.852 -6.788 -3.737) 11.764 21.295 ( 8.852 -6.788 -3.737) 11.764 22.478 ( -8.817 1.899 -1.422) 9.130 22.478 ( 8.817 1.899 -1.422) 9.130 22.786 ( -6.912 -3.449 -8.297) 11.337 22.786 ( 6.912 -3.449 -8.297) 11.337 23.440 ( -4.713 2.034 6.249) 8.087 23.440 ( 4.713 2.034 6.249) 8.087 24.104 ( -13.287 -18.023 6.110) 23.210 24.104 ( 13.287 -18.023 6.110) 23.210 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.000 24.417 6.872) 25.366 1.773 ( 0.000 23.256 5.158) 23.821 2.352 ( 0.000 8.110 5.483) 9.789 2.564 ( 0.000 -13.413 1.735) 13.524 2.607 ( 0.000 -5.099 2.003) 5.478 2.818 ( 0.000 -4.148 5.751) 7.091 2.883 ( 0.000 -1.446 3.661) 3.936 2.898 ( 0.000 12.689 0.005) 12.689 3.083 ( 0.000 23.139 5.883) 23.875 3.295 ( 0.000 -1.960 3.979) 4.435 3.457 ( 0.000 -4.320 1.599) 4.606 3.661 ( 0.000 0.846 -1.764) 1.956 3.774 ( 0.000 15.313 0.528) 15.322 4.069 ( 0.000 7.715 -3.282) 8.384 4.183 ( 0.000 8.917 -9.885) 13.313 4.317 ( 0.000 -10.294 -5.905) 11.867 4.350 ( 0.000 -13.576 -2.613) 13.825 4.432 ( 0.000 -6.299 -1.850) 6.566 4.468 ( 0.000 -8.542 -2.313) 8.850 4.648 ( 0.000 -4.091 -4.003) 5.724 4.695 ( 0.000 8.765 4.932) 10.057 4.879 ( 0.000 -2.314 1.036) 2.536 5.013 ( 0.000 -3.914 1.030) 4.047 5.115 ( 0.000 -8.793 4.985) 10.108 5.768 ( 0.000 7.989 -2.547) 8.385 5.881 ( 0.000 16.047 -5.960) 17.118 6.099 ( 0.000 -3.772 -0.711) 3.838 6.119 ( 0.000 6.489 -5.317) 8.389 6.209 ( 0.000 5.614 -0.476) 5.634 6.382 ( 0.000 -0.378 2.659) 2.686 6.727 ( 0.000 13.699 3.162) 14.059 6.764 ( 0.000 10.517 -1.705) 10.654 6.838 ( 0.000 4.550 -9.513) 10.546 7.100 ( 0.000 5.623 1.115) 5.732 7.125 ( 0.000 -1.053 2.199) 2.438 7.296 ( 0.000 -9.290 -3.739) 10.014 7.499 ( 0.000 -12.547 0.142) 12.548 7.594 ( 0.000 -1.155 2.707) 2.943 7.604 ( 0.000 -10.374 -2.967) 10.790 7.900 ( 0.000 -10.309 -3.590) 10.916 8.306 ( 0.000 2.033 1.528) 2.543 8.339 ( 0.000 -3.408 0.101) 3.409 8.406 ( 0.000 -2.861 3.568) 4.573 8.506 ( 0.000 8.274 2.566) 8.663 8.566 ( 0.000 -7.033 1.085) 7.117 8.985 ( 0.000 -2.222 0.105) 2.225 9.017 ( 0.000 -6.144 1.786) 6.398 9.109 ( 0.000 -0.969 1.537) 1.817 9.935 ( 0.000 16.851 -2.017) 16.972 10.203 ( 0.000 8.171 -10.739) 13.494 10.550 ( 0.000 -8.299 -6.567) 10.583 10.677 ( 0.000 -16.320 -4.658) 16.972 11.379 ( 0.000 2.760 -6.232) 6.816 11.417 ( 0.000 6.721 -0.522) 6.741 11.476 ( 0.000 0.682 -2.888) 2.967 11.706 ( 0.000 -0.036 6.696) 6.696 11.974 ( 0.000 -2.904 -5.432) 6.159 12.005 ( 0.000 1.902 -0.279) 1.922 12.189 ( 0.000 3.960 4.664) 6.119 12.484 ( 0.000 1.894 -2.207) 2.909 12.588 ( 0.000 -2.203 -1.674) 2.767 12.593 ( 0.000 -11.265 -2.290) 11.495 13.240 ( 0.000 5.076 6.392) 8.162 13.382 ( 0.000 0.714 -5.201) 5.250 14.377 ( 0.000 14.782 1.052) 14.819 14.775 ( 0.000 9.622 15.231) 18.015 14.948 ( 0.000 -12.858 -0.280) 12.861 15.393 ( 0.000 -18.367 3.063) 18.620 19.326 ( 0.000 12.345 0.075) 12.345 19.387 ( 0.000 17.413 -1.176) 17.452 19.466 ( 0.000 8.795 -1.144) 8.869 20.056 ( 0.000 -14.256 -3.263) 14.625 20.619 ( 0.000 0.846 -1.597) 1.807 20.803 ( 0.000 -2.644 -11.900) 12.190 21.286 ( 0.000 0.357 -10.974) 10.980 21.306 ( 0.000 0.202 -6.196) 6.200 22.209 ( 0.000 2.003 -0.889) 2.191 22.289 ( 0.000 -1.718 -1.300) 2.154 22.777 ( 0.000 0.984 -0.181) 1.000 22.879 ( 0.000 -4.608 4.167) 6.212 23.262 ( 0.000 -0.878 13.286) 13.314 23.284 ( 0.000 -1.205 8.769) 8.851 23.697 ( 0.000 6.742 3.753) 7.716 24.098 ( 0.000 -13.161 1.577) 13.255 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.25 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 8.608 21.751 6.150) 24.187 1.862 ( 8.072 21.565 6.912) 24.041 2.313 ( -6.590 12.598 5.063) 15.093 2.487 ( -13.725 7.170 3.546) 15.886 2.583 ( 1.496 -10.776 2.364) 11.133 2.677 ( -0.300 -11.633 2.590) 11.922 2.842 ( -0.551 -10.564 4.819) 11.624 2.889 ( -7.545 -5.582 0.920) 9.430 3.205 ( 10.353 22.261 2.338) 24.662 3.335 ( 4.796 9.953 0.596) 11.064 3.595 ( 5.884 1.823 -0.897) 6.225 3.666 ( 1.340 0.239 -0.247) 1.383 3.811 ( 3.323 12.833 1.327) 13.323 4.010 ( -4.766 10.361 -1.853) 11.554 4.170 ( -0.607 5.599 -9.046) 10.656 4.306 ( 0.383 -6.912 -6.107) 9.231 4.396 ( 1.853 -12.344 -0.271) 12.486 4.451 ( -3.009 -2.402 -0.309) 3.862 4.471 ( 0.263 -7.927 -2.646) 8.361 4.610 ( -1.672 -3.393 -1.652) 4.128 4.645 ( 0.290 5.515 2.183) 5.939 4.849 ( -3.233 -1.186 -0.296) 3.456 5.001 ( -1.038 -6.004 3.439) 6.996 5.062 ( -3.747 -7.845 4.984) 10.021 5.768 ( 0.464 8.002 -3.002) 8.559 5.856 ( -2.354 15.236 -4.488) 16.056 6.053 ( -0.222 -3.683 -2.058) 4.225 6.127 ( -1.113 1.142 -4.415) 4.695 6.328 ( 8.203 7.728 0.684) 11.290 6.490 ( 7.599 1.727 -0.829) 7.837 6.704 ( -3.892 11.099 2.061) 11.941 6.743 ( -0.143 6.259 -3.633) 7.238 6.854 ( 1.560 10.395 -4.997) 11.639 7.038 ( -4.776 7.439 -0.318) 8.847 7.144 ( 1.279 -2.736 1.761) 3.497 7.239 ( -3.518 -8.398 -2.824) 9.533 7.485 ( -0.118 -8.978 0.662) 9.003 7.571 ( -2.035 -1.063 2.253) 3.217 7.677 ( 4.553 -13.858 -3.168) 14.927 7.859 ( -3.125 -11.892 -3.025) 12.662 8.257 ( -1.536 1.072 1.019) 2.132 8.341 ( -3.384 1.046 1.678) 3.920 8.398 ( 2.912 -4.994 2.419) 6.267 8.559 ( 0.554 -5.331 0.480) 5.381 8.635 ( 6.565 4.150 2.227) 8.079 8.936 ( -4.797 5.211 0.373) 7.093 9.024 ( 1.237 -10.633 1.655) 10.832 9.088 ( -1.513 -2.324 1.619) 3.212 9.967 ( 2.847 16.072 -2.824) 16.565 10.155 ( -3.861 10.441 -8.362) 13.923 10.594 ( 3.145 -11.655 -7.019) 13.964 10.679 ( -0.114 -16.158 -5.011) 16.917 11.386 ( 0.585 3.308 -5.445) 6.398 11.414 ( -0.399 6.709 -2.111) 7.045 11.488 ( 1.461 -0.866 -2.973) 3.424 11.648 ( -4.351 -1.048 1.905) 4.864 11.989 ( 2.439 1.903 -1.725) 3.542 12.064 ( 2.350 4.826 -2.663) 5.992 12.229 ( 3.881 -1.782 7.261) 8.424 12.505 ( -4.066 -4.787 0.011) 6.281 12.574 ( 6.043 -1.563 0.204) 6.245 12.695 ( 7.986 -3.628 -3.905) 9.601 13.092 ( -11.893 5.278 4.074) 13.634 13.231 ( -11.707 -0.243 -3.047) 12.100 14.442 ( 5.029 15.168 3.129) 16.283 14.690 ( -5.168 12.690 10.915) 17.518 15.078 ( 8.173 -15.711 1.903) 17.812 15.355 ( -3.338 -18.478 2.777) 18.981 19.320 ( -0.031 13.307 -0.092) 13.308 19.369 ( -1.462 16.710 -0.935) 16.800 19.541 ( 6.240 6.886 -1.658) 9.439 19.953 ( -8.646 -9.244 -3.971) 13.265 20.619 ( 0.838 3.714 -2.344) 4.472 20.823 ( -3.042 7.047 -9.345) 12.094 21.016 ( -4.470 -3.144 -0.119) 5.466 21.327 ( -6.858 -8.259 -6.692) 12.650 22.330 ( 8.854 3.016 -2.871) 9.784 22.477 ( 11.838 -3.892 -6.781) 14.187 22.703 ( -5.785 1.739 -0.767) 6.089 22.828 ( -4.074 -4.240 -0.405) 5.895 23.339 ( 6.559 1.235 9.274) 11.426 23.449 ( 11.644 -4.563 10.082) 16.064 23.662 ( -2.470 3.749 6.401) 7.819 24.021 ( -6.871 -13.279 2.924) 15.235 ======================= Grid point 62 (27/90) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -13.842 16.893 6.676) 22.838 2.072 ( 13.842 16.893 6.676) 22.838 2.115 ( -14.957 16.249 5.794) 22.832 2.115 ( 14.957 16.249 5.794) 22.832 2.686 ( -5.865 -11.740 1.333) 13.191 2.686 ( 5.865 -11.740 1.333) 13.191 2.782 ( -3.262 -14.843 2.604) 15.419 2.782 ( 3.262 -14.843 2.604) 15.419 3.387 ( -2.612 16.563 -2.936) 17.023 3.387 ( 2.612 16.563 -2.936) 17.023 3.676 ( -2.931 4.460 -0.809) 5.397 3.676 ( 2.931 4.460 -0.809) 5.397 3.901 ( -4.492 11.487 0.675) 12.352 3.901 ( 4.492 11.487 0.675) 12.352 4.211 ( -6.080 5.148 -2.273) 8.285 4.211 ( 6.080 5.148 -2.273) 8.285 4.402 ( -2.342 -8.010 -1.794) 8.536 4.402 ( 2.342 -8.010 -1.794) 8.536 4.547 ( -4.139 -7.285 -1.985) 8.611 4.547 ( 4.139 -7.285 -1.985) 8.611 4.739 ( -5.864 0.597 0.396) 5.908 4.739 ( 5.864 0.597 0.396) 5.908 4.997 ( -1.447 -7.269 4.585) 8.715 4.997 ( 1.447 -7.269 4.585) 8.715 5.799 ( -2.238 10.869 -3.521) 11.642 5.799 ( 2.238 10.869 -3.521) 11.642 6.085 ( -2.316 -2.569 -2.870) 4.494 6.085 ( 2.316 -2.569 -2.870) 4.494 6.511 ( -7.083 10.133 -1.201) 12.421 6.511 ( 7.083 10.133 -1.201) 12.421 6.702 ( -4.047 1.637 -1.394) 4.583 6.702 ( 4.047 1.637 -1.394) 4.583 6.920 ( -4.652 12.481 -1.992) 13.468 6.920 ( 4.652 12.481 -1.992) 13.468 7.180 ( -1.902 -6.160 -0.816) 6.498 7.180 ( 1.902 -6.160 -0.816) 6.498 7.512 ( -2.511 -4.629 1.697) 5.533 7.512 ( 2.511 -4.629 1.697) 5.533 7.776 ( -4.204 -14.174 -2.910) 15.068 7.776 ( 4.204 -14.174 -2.910) 15.068 8.267 ( -2.318 2.100 1.220) 3.358 8.267 ( 2.318 2.100 1.220) 3.358 8.497 ( -4.874 -7.484 1.583) 9.070 8.497 ( 4.874 -7.484 1.583) 9.070 8.800 ( -7.120 6.303 1.028) 9.565 8.800 ( 7.120 6.303 1.028) 9.565 9.055 ( -1.402 -6.292 1.549) 6.629 9.055 ( 1.402 -6.292 1.549) 6.629 10.054 ( -4.648 13.834 -5.041) 15.440 10.054 ( 4.648 13.834 -5.041) 15.440 10.657 ( -2.042 -15.244 -6.166) 16.570 10.657 ( 2.042 -15.244 -6.166) 16.570 11.400 ( -0.662 4.831 -4.056) 6.342 11.400 ( 0.662 4.831 -4.056) 6.342 11.550 ( -3.925 -1.351 -2.333) 4.762 11.550 ( 3.925 -1.351 -2.333) 4.762 12.055 ( -2.586 6.024 -1.113) 6.650 12.055 ( 2.586 6.024 -1.113) 6.650 12.365 ( -7.273 -7.101 4.819) 11.249 12.365 ( 7.273 -7.101 4.819) 11.249 12.795 ( -12.712 4.300 0.852) 13.446 12.795 ( 12.712 4.300 0.852) 13.446 12.940 ( -12.986 -2.268 -2.168) 13.359 12.940 ( 12.986 -2.268 -2.168) 13.359 14.568 ( -5.759 15.220 6.998) 17.714 14.568 ( 5.759 15.220 6.998) 17.714 15.246 ( -6.422 -18.201 2.221) 19.428 15.246 ( 6.422 -18.201 2.221) 19.428 19.334 ( -1.293 15.037 -0.476) 15.100 19.334 ( 1.293 15.037 -0.476) 15.100 19.728 ( -10.093 1.064 -3.090) 10.609 19.728 ( 10.093 1.064 -3.090) 10.609 20.682 ( -5.165 8.839 -2.046) 10.440 20.682 ( 5.165 8.839 -2.046) 10.440 21.128 ( -9.087 -10.009 -3.746) 14.028 21.128 ( 9.087 -10.009 -3.746) 14.028 22.530 ( -8.322 3.349 -2.245) 9.247 22.530 ( 8.322 3.349 -2.245) 9.247 22.704 ( -7.154 -4.667 -6.256) 10.587 22.704 ( 7.154 -4.667 -6.256) 10.587 23.498 ( -6.418 3.998 6.466) 9.949 23.498 ( 6.418 3.998 6.466) 9.949 23.799 ( -12.383 -12.378 7.610) 19.091 23.799 ( 12.383 -12.378 7.610) 19.091 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 0.000 -5.822 0.492) 5.842 2.121 ( 0.000 5.822 0.492) 5.842 2.266 ( 0.000 -2.201 5.941) 6.335 2.266 ( 0.000 2.201 5.941) 6.335 2.643 ( 0.000 -9.303 4.904) 10.516 2.643 ( 0.000 9.303 4.904) 10.516 2.967 ( 0.000 -3.870 1.956) 4.336 2.967 ( 0.000 3.870 1.956) 4.336 3.338 ( 0.000 -7.053 4.079) 8.147 3.338 ( 0.000 7.053 4.079) 8.147 3.548 ( 0.000 -15.229 0.354) 15.233 3.548 ( 0.000 15.229 0.354) 15.233 4.065 ( 0.000 -13.872 3.916) 14.415 4.065 ( 0.000 13.872 3.916) 14.415 4.177 ( 0.000 -3.458 -6.888) 7.708 4.177 ( 0.000 3.458 -6.888) 7.708 4.296 ( 0.000 -5.423 -1.020) 5.518 4.296 ( 0.000 5.423 -1.020) 5.518 4.496 ( 0.000 -9.361 -10.352) 13.957 4.496 ( 0.000 9.361 -10.352) 13.957 4.862 ( 0.000 -6.329 5.073) 8.111 4.862 ( 0.000 6.329 5.073) 8.111 4.964 ( 0.000 -4.834 2.471) 5.429 4.964 ( 0.000 4.834 2.471) 5.429 5.932 ( 0.000 -7.641 -3.236) 8.298 5.932 ( 0.000 7.641 -3.236) 8.298 6.134 ( 0.000 -4.491 -4.599) 6.428 6.134 ( 0.000 4.491 -4.599) 6.428 6.333 ( 0.000 -5.029 1.041) 5.136 6.333 ( 0.000 5.029 1.041) 5.136 6.897 ( 0.000 -1.289 -8.704) 8.799 6.897 ( 0.000 1.289 -8.704) 8.799 7.029 ( 0.000 -15.137 0.260) 15.139 7.029 ( 0.000 15.137 0.260) 15.139 7.148 ( 0.000 -2.822 2.086) 3.509 7.148 ( 0.000 2.822 2.086) 3.509 7.397 ( 0.000 -6.004 0.753) 6.051 7.397 ( 0.000 6.004 0.753) 6.051 7.688 ( 0.000 -9.336 -0.381) 9.344 7.688 ( 0.000 9.336 -0.381) 9.344 8.312 ( 0.000 -0.166 0.171) 0.238 8.312 ( 0.000 0.166 0.171) 0.238 8.437 ( 0.000 -5.122 1.668) 5.387 8.437 ( 0.000 5.122 1.668) 5.387 8.739 ( 0.000 -13.336 2.876) 13.643 8.739 ( 0.000 13.336 2.876) 13.643 9.072 ( 0.000 -2.755 1.257) 3.028 9.072 ( 0.000 2.755 1.257) 3.028 10.273 ( 0.000 -12.941 -6.538) 14.498 10.273 ( 0.000 12.941 -6.538) 14.498 10.408 ( 0.000 -2.256 -5.189) 5.658 10.408 ( 0.000 2.256 -5.189) 5.658 11.425 ( 0.000 -1.821 -4.739) 5.077 11.425 ( 0.000 1.821 -4.739) 5.077 11.610 ( 0.000 -7.868 -0.784) 7.907 11.610 ( 0.000 7.868 -0.784) 7.907 11.987 ( 0.000 -2.444 3.271) 4.084 11.987 ( 0.000 2.444 3.271) 4.084 12.351 ( 0.000 -10.940 0.847) 10.973 12.351 ( 0.000 10.940 0.847) 10.973 12.540 ( 0.000 -2.426 -3.183) 4.003 12.540 ( 0.000 2.426 -3.183) 4.003 13.337 ( 0.000 -4.215 2.235) 4.771 13.337 ( 0.000 4.215 2.235) 4.771 14.674 ( 0.000 -14.541 0.057) 14.541 14.674 ( 0.000 14.541 0.057) 14.541 15.043 ( 0.000 -16.330 6.991) 17.764 15.043 ( 0.000 16.330 6.991) 17.764 19.505 ( 0.000 -4.457 -0.388) 4.474 19.505 ( 0.000 4.457 -0.388) 4.474 19.738 ( 0.000 -17.226 -1.836) 17.324 19.738 ( 0.000 17.226 -1.836) 17.324 20.694 ( 0.000 -6.152 -4.039) 7.360 20.694 ( 0.000 6.152 -4.039) 7.360 21.302 ( 0.000 -0.679 -9.524) 9.548 21.302 ( 0.000 0.679 -9.524) 9.548 22.251 ( 0.000 -2.092 -1.192) 2.408 22.251 ( 0.000 2.092 -1.192) 2.408 22.810 ( 0.000 -2.450 1.968) 3.142 22.810 ( 0.000 2.450 1.968) 3.142 23.264 ( 0.000 -0.723 9.784) 9.810 23.264 ( 0.000 0.723 9.784) 9.810 23.865 ( 0.000 -10.140 2.582) 10.464 23.865 ( 0.000 10.140 2.582) 10.464 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 6.322 -9.857 1.238) 11.775 2.193 ( 6.322 9.857 1.238) 11.775 2.309 ( 4.130 -9.282 5.590) 11.596 2.309 ( 4.130 9.282 5.590) 11.596 2.591 ( -4.838 -12.849 4.867) 14.566 2.591 ( -4.838 12.849 4.867) 14.566 2.737 ( -14.804 -8.890 3.177) 17.558 2.737 ( -14.804 8.890 3.177) 17.558 3.492 ( 8.609 -7.924 0.656) 11.719 3.492 ( 8.609 7.924 0.656) 11.719 3.617 ( 4.300 -8.838 -1.126) 9.893 3.617 ( 4.300 8.838 -1.126) 9.893 4.090 ( 2.578 -14.642 3.254) 15.219 4.090 ( 2.578 14.642 3.254) 15.219 4.186 ( 0.229 -6.042 -5.020) 7.859 4.186 ( 0.229 6.042 -5.020) 7.859 4.285 ( 0.443 -6.992 -2.257) 7.360 4.285 ( 0.443 6.992 -2.257) 7.360 4.499 ( -1.335 -6.172 -8.329) 10.452 4.499 ( -1.335 6.172 -8.329) 10.452 4.825 ( -2.176 -9.254 6.605) 11.576 4.825 ( -2.176 9.254 6.605) 11.576 4.920 ( -3.533 -5.562 2.780) 7.152 4.920 ( -3.533 5.562 2.780) 7.152 5.925 ( 0.734 -7.508 -2.495) 7.945 5.925 ( 0.734 7.508 -2.494) 7.945 6.085 ( -3.952 -6.263 -4.107) 8.468 6.085 ( -3.952 6.263 -4.107) 8.468 6.462 ( 9.350 -4.997 -0.843) 10.636 6.462 ( 9.350 4.997 -0.843) 10.636 6.826 ( -5.174 -2.366 -5.949) 8.232 6.826 ( -5.174 2.366 -5.949) 8.232 7.067 ( 1.940 -8.966 -0.787) 9.207 7.067 ( 1.940 8.966 -0.787) 9.207 7.129 ( -1.390 -0.356 0.827) 1.656 7.129 ( -1.390 0.356 0.827) 1.656 7.427 ( 2.896 -7.456 0.035) 7.999 7.427 ( 2.896 7.456 0.035) 7.999 7.639 ( -4.219 -8.468 -0.462) 9.472 7.639 ( -4.219 8.468 -0.462) 9.472 8.305 ( 0.526 -3.617 0.973) 3.783 8.305 ( 0.526 3.617 0.973) 3.783 8.420 ( -1.962 -6.044 1.992) 6.660 8.420 ( -1.962 6.044 1.992) 6.660 8.808 ( 5.193 -10.457 1.867) 11.824 8.808 ( 5.193 10.457 1.867) 11.824 9.029 ( -3.558 -3.755 1.263) 5.325 9.029 ( -3.558 3.755 1.263) 5.325 10.295 ( 1.865 -12.853 -6.196) 14.390 10.295 ( 1.865 12.853 -6.196) 14.390 10.393 ( -1.395 -7.107 -5.131) 8.876 10.393 ( -1.395 7.107 -5.131) 8.876 11.441 ( 1.488 -2.213 -4.821) 5.509 11.441 ( 1.488 2.213 -4.821) 5.509 11.565 ( -3.318 -6.234 -2.363) 7.446 11.565 ( -3.318 6.234 -2.363) 7.446 12.062 ( 5.776 -4.135 3.418) 7.883 12.062 ( 5.776 4.135 3.418) 7.883 12.320 ( -3.345 -9.624 2.086) 10.400 12.320 ( -3.345 9.624 2.086) 10.400 12.625 ( 7.981 -3.521 -2.560) 9.091 12.625 ( 7.981 3.521 -2.560) 9.091 13.185 ( -12.099 -3.857 1.631) 12.804 13.185 ( -12.099 3.857 1.631) 12.804 14.751 ( 5.948 -15.231 1.315) 16.404 14.751 ( 5.948 15.231 1.315) 16.404 15.002 ( -3.517 -16.323 6.087) 17.772 15.002 ( -3.517 16.323 6.087) 17.772 19.533 ( 2.392 -6.837 -0.629) 7.270 19.533 ( 2.392 6.837 -0.629) 7.270 19.695 ( -3.462 -15.452 -1.708) 15.927 19.695 ( -3.462 15.452 -1.708) 15.927 20.747 ( 4.763 -8.331 -3.604) 10.251 20.747 ( 4.763 8.331 -3.604) 10.251 21.143 ( -11.162 -10.023 -5.928) 16.130 21.143 ( -11.162 10.023 -5.928) 16.130 22.398 ( 10.172 -3.801 -4.232) 11.654 22.398 ( 10.172 3.801 -4.232) 11.654 22.753 ( -4.705 -3.194 -0.304) 5.695 22.753 ( -4.705 3.194 -0.304) 5.695 23.376 ( 9.038 -2.655 9.677) 13.505 23.376 ( 9.038 2.655 9.677) 13.505 23.796 ( -6.038 -9.213 3.913) 11.689 23.796 ( -6.038 9.213 3.913) 11.689 ======================= Grid point 69 (30/90) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -7.957 -11.020 3.453) 14.025 2.388 ( 7.828 -10.997 3.453) 13.933 2.388 ( -7.828 10.997 3.453) 13.933 2.388 ( 7.957 11.020 3.453) 14.025 2.469 ( -3.965 -12.424 4.223) 13.708 2.469 ( 3.480 -12.388 4.223) 13.543 2.469 ( -3.481 12.388 4.224) 13.543 2.469 ( 3.965 12.424 4.223) 13.709 3.636 ( -2.716 -7.999 -2.192) 8.727 3.636 ( 1.990 -7.945 -2.192) 8.479 3.636 ( -1.990 7.945 -2.192) 8.479 3.636 ( 2.716 7.999 -2.192) 8.727 4.160 ( -2.476 -13.159 -1.180) 13.442 4.160 ( 2.434 -13.157 -1.180) 13.433 4.160 ( -2.434 13.157 -1.180) 13.433 4.160 ( 2.476 13.159 -1.180) 13.442 4.382 ( -7.457 -8.625 -2.857) 11.754 4.382 ( 7.026 -8.534 -2.857) 11.418 4.382 ( -7.026 8.534 -2.857) 11.418 4.382 ( 7.457 8.625 -2.857) 11.754 4.836 ( -3.099 -7.876 4.543) 9.606 4.836 ( 3.061 -7.872 4.543) 9.590 4.836 ( -3.061 7.872 4.543) 9.590 4.836 ( 3.099 7.876 4.543) 9.606 5.986 ( -4.230 -7.420 -3.013) 9.057 5.986 ( 4.209 -7.417 -3.013) 9.045 5.986 ( -4.209 7.417 -3.013) 9.045 5.986 ( 4.230 7.420 -3.013) 9.057 6.673 ( -8.045 -5.334 -3.212) 10.174 6.673 ( 0.435 -3.510 -3.212) 4.778 6.673 ( -0.435 3.510 -3.212) 4.778 6.673 ( 8.045 5.334 -3.212) 10.174 7.099 ( -0.945 -4.597 -0.646) 4.737 7.099 ( 0.792 -4.590 -0.646) 4.702 7.099 ( -0.792 4.590 -0.646) 4.702 7.099 ( 0.945 4.597 -0.646) 4.737 7.524 ( -5.374 -8.433 -0.502) 10.013 7.524 ( 5.374 -8.433 -0.502) 10.012 7.524 ( -5.374 8.433 -0.502) 10.012 7.524 ( 5.374 8.433 -0.502) 10.013 8.354 ( -3.350 -6.278 1.811) 7.343 8.354 ( 3.306 -6.272 1.811) 7.318 8.354 ( -3.306 6.272 1.811) 7.318 8.354 ( 3.350 6.278 1.811) 7.343 8.929 ( -5.180 -6.441 1.265) 8.362 8.929 ( 5.173 -6.440 1.265) 8.357 8.929 ( -5.173 6.440 1.265) 8.357 8.929 ( 5.180 6.441 1.265) 8.362 10.347 ( -1.933 -15.427 -5.465) 16.480 10.347 ( 1.742 -15.421 -5.465) 16.453 10.347 ( -1.742 15.421 -5.465) 16.453 10.347 ( 1.933 15.427 -5.465) 16.480 11.491 ( -2.800 -4.071 -4.292) 6.545 11.491 ( 2.421 -4.009 -4.292) 6.353 11.491 ( -2.421 4.009 -4.292) 6.353 11.491 ( 2.800 4.071 -4.292) 6.545 12.206 ( -5.728 -8.253 2.992) 10.483 12.206 ( 3.689 -7.957 2.992) 9.267 12.206 ( -3.689 7.957 2.992) 9.267 12.206 ( 5.728 8.253 2.992) 10.483 12.879 ( -13.809 -3.829 -0.093) 14.331 12.879 ( -13.765 3.790 -0.093) 14.278 12.879 ( 13.765 -3.790 -0.093) 14.278 12.879 ( 13.809 3.829 -0.093) 14.331 14.893 ( -5.752 -17.202 3.839) 18.539 14.893 ( 5.459 -17.178 3.839) 18.428 14.893 ( -5.459 17.178 3.839) 18.428 14.893 ( 5.752 17.202 3.839) 18.539 19.607 ( -4.000 -11.316 -1.210) 12.063 19.607 ( 3.991 -11.315 -1.210) 12.059 19.607 ( -3.991 11.315 -1.210) 12.059 19.607 ( 4.000 11.316 -1.210) 12.063 20.904 ( -8.919 -11.992 -3.483) 15.346 20.904 ( 7.741 -11.786 -3.483) 14.524 20.904 ( -7.741 11.786 -3.483) 14.524 20.904 ( 8.919 11.992 -3.483) 15.346 22.610 ( -8.002 -4.506 -3.933) 9.990 22.610 ( 1.944 -2.290 -3.933) 4.949 22.610 ( -1.944 2.290 -3.933) 4.949 22.610 ( 8.002 4.506 -3.933) 9.990 23.607 ( -9.960 -7.085 7.136) 14.154 23.607 ( 3.618 -5.354 7.136) 9.627 23.607 ( -3.618 5.354 7.136) 9.627 23.607 ( 9.960 7.085 7.136) 14.154 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.000 0.000 25.976) 25.976 1.123 ( 0.000 0.000 27.899) 27.899 1.927 ( 0.000 0.000 41.172) 41.172 1.956 ( 0.000 0.000 6.282) 6.282 2.298 ( 0.000 0.000 12.234) 12.234 2.328 ( 0.000 0.000 -3.384) 3.384 2.849 ( 0.000 0.000 -6.283) 6.283 2.852 ( 0.000 0.000 -6.684) 6.684 3.180 ( 0.000 0.000 -1.844) 1.844 3.185 ( 0.000 0.000 -3.503) 3.503 3.305 ( 0.000 0.000 -8.058) 8.058 3.477 ( 0.000 0.000 -6.751) 6.751 3.645 ( 0.000 0.000 -3.579) 3.579 3.678 ( 0.000 0.000 -2.164) 2.164 4.072 ( 0.000 0.000 0.187) 0.187 4.312 ( 0.000 0.000 -4.791) 4.791 4.630 ( 0.000 0.000 9.852) 9.852 4.667 ( 0.000 0.000 1.749) 1.749 4.678 ( 0.000 0.000 -10.760) 10.760 4.784 ( 0.000 0.000 -2.956) 2.956 4.875 ( 0.000 0.000 7.940) 7.940 4.951 ( 0.000 0.000 2.252) 2.252 4.958 ( 0.000 0.000 -1.574) 1.574 5.166 ( 0.000 0.000 -9.096) 9.096 5.216 ( 0.000 0.000 -3.470) 3.470 5.517 ( 0.000 0.000 -3.811) 3.811 5.889 ( 0.000 0.000 1.310) 1.310 6.033 ( 0.000 0.000 4.835) 4.835 6.039 ( 0.000 0.000 9.259) 9.259 6.348 ( 0.000 0.000 8.692) 8.692 6.365 ( 0.000 0.000 -1.971) 1.971 6.424 ( 0.000 0.000 -10.532) 10.532 6.468 ( 0.000 0.000 1.703) 1.703 6.980 ( 0.000 0.000 -2.404) 2.404 7.294 ( 0.000 0.000 -6.777) 6.777 7.384 ( 0.000 0.000 -9.867) 9.867 7.491 ( 0.000 0.000 -11.023) 11.023 7.707 ( 0.000 0.000 -7.956) 7.956 7.932 ( 0.000 0.000 10.490) 10.490 8.288 ( 0.000 0.000 5.036) 5.036 8.516 ( 0.000 0.000 0.945) 0.945 8.606 ( 0.000 0.000 -5.961) 5.961 8.634 ( 0.000 0.000 4.079) 4.079 8.777 ( 0.000 0.000 -5.321) 5.321 8.835 ( 0.000 0.000 7.245) 7.245 8.996 ( 0.000 0.000 0.703) 0.703 9.057 ( 0.000 0.000 1.497) 1.497 9.084 ( 0.000 0.000 3.294) 3.294 9.371 ( 0.000 0.000 -7.249) 7.249 9.432 ( 0.000 0.000 -6.159) 6.159 10.701 ( 0.000 0.000 -6.538) 6.538 10.847 ( 0.000 0.000 -8.370) 8.370 11.086 ( 0.000 0.000 -0.267) 0.267 11.139 ( 0.000 0.000 -2.772) 2.772 11.555 ( 0.000 0.000 5.881) 5.881 11.744 ( 0.000 0.000 6.626) 6.626 11.866 ( 0.000 0.000 -7.475) 7.475 11.987 ( 0.000 0.000 -14.564) 14.564 12.232 ( 0.000 0.000 -3.362) 3.362 12.253 ( 0.000 0.000 4.308) 4.308 12.389 ( 0.000 0.000 -1.692) 1.692 12.783 ( 0.000 0.000 -1.837) 1.837 12.888 ( 0.000 0.000 12.866) 12.866 13.355 ( 0.000 0.000 5.491) 5.491 14.134 ( 0.000 0.000 11.927) 11.927 15.336 ( 0.000 0.000 -3.573) 3.573 15.858 ( 0.000 0.000 -0.523) 0.523 16.167 ( 0.000 0.000 -3.461) 3.461 18.710 ( 0.000 0.000 0.039) 0.039 18.733 ( 0.000 0.000 -0.189) 0.189 18.744 ( 0.000 0.000 -0.055) 0.055 18.751 ( 0.000 0.000 -0.050) 0.050 20.577 ( 0.000 0.000 1.005) 1.005 20.712 ( 0.000 0.000 -0.088) 0.088 21.221 ( 0.000 0.000 -3.401) 3.401 21.392 ( 0.000 0.000 -2.200) 2.200 22.164 ( 0.000 0.000 0.475) 0.475 22.303 ( 0.000 0.000 -1.926) 1.926 22.725 ( 0.000 0.000 -2.007) 2.007 22.989 ( 0.000 0.000 -5.884) 5.884 23.514 ( 0.000 0.000 10.294) 10.294 23.691 ( 0.000 0.000 9.662) 9.662 24.020 ( 0.000 0.000 1.790) 1.790 24.880 ( 0.000 0.000 -10.248) 10.248 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 13.169 0.000 20.886) 24.691 1.370 ( 17.494 0.000 22.844) 28.773 1.832 ( -10.171 0.000 8.162) 13.041 2.058 ( -3.185 0.000 18.140) 18.418 2.291 ( 13.746 0.000 27.445) 30.694 2.394 ( 5.029 0.000 -3.969) 6.407 2.687 ( -7.372 0.000 -5.883) 9.432 3.003 ( 6.543 0.000 -7.127) 9.675 3.131 ( -2.063 0.000 -8.305) 8.557 3.257 ( -4.043 0.000 -8.094) 9.047 3.266 ( -5.283 0.000 -5.021) 7.289 3.335 ( 1.542 0.000 2.998) 3.371 3.655 ( 0.077 0.000 0.766) 0.770 3.827 ( 5.416 0.000 -4.779) 7.223 4.122 ( 4.366 0.000 1.557) 4.635 4.330 ( 0.115 0.000 -2.403) 2.406 4.487 ( -12.466 0.000 17.611) 21.577 4.578 ( -4.105 0.000 -3.455) 5.365 4.653 ( -2.805 0.000 -10.087) 10.470 4.677 ( -7.770 0.000 -0.826) 7.814 4.793 ( 2.343 0.000 -4.696) 5.248 4.984 ( -1.984 0.000 -0.323) 2.010 5.034 ( 4.973 0.000 -1.532) 5.204 5.166 ( -0.392 0.000 -7.486) 7.496 5.223 ( 1.765 0.000 -2.365) 2.952 5.440 ( -5.708 0.000 -1.679) 5.950 5.912 ( 2.313 0.000 1.944) 3.021 6.041 ( -0.517 0.000 7.112) 7.130 6.125 ( 5.063 0.000 0.289) 5.071 6.289 ( -3.736 0.000 -2.301) 4.388 6.335 ( -0.940 0.000 8.353) 8.406 6.406 ( -4.214 0.000 3.530) 5.497 6.609 ( 12.788 0.000 -5.617) 13.967 6.994 ( -0.470 0.000 -3.973) 4.001 7.317 ( 1.621 0.000 -7.598) 7.769 7.375 ( -0.793 0.000 -9.517) 9.550 7.493 ( 0.269 0.000 -8.935) 8.939 7.615 ( -6.052 0.000 -2.806) 6.671 8.029 ( 8.084 0.000 9.917) 12.795 8.364 ( 3.573 0.000 0.373) 3.592 8.455 ( -4.133 0.000 -3.667) 5.526 8.491 ( -9.760 0.000 6.347) 11.642 8.516 ( 1.304 0.000 1.838) 2.254 8.754 ( -4.007 0.000 -1.286) 4.208 8.928 ( 5.298 0.000 5.290) 7.487 9.072 ( -1.169 0.000 3.669) 3.850 9.084 ( 5.244 0.000 1.462) 5.444 9.217 ( 6.046 0.000 -8.320) 10.284 9.372 ( 0.226 0.000 -7.195) 7.199 9.418 ( -1.170 0.000 -6.272) 6.380 10.717 ( 1.407 0.000 -6.673) 6.820 10.818 ( -2.297 0.000 -7.867) 8.196 11.122 ( 2.950 0.000 -0.228) 2.959 11.207 ( 3.130 0.000 -4.022) 5.096 11.566 ( 2.932 0.000 -1.303) 3.209 11.803 ( 5.011 0.000 5.834) 7.691 11.819 ( -3.914 0.000 -9.394) 10.177 12.074 ( 6.220 0.000 -10.841) 12.499 12.122 ( -7.868 0.000 3.468) 8.598 12.248 ( 0.448 0.000 -5.794) 5.812 12.509 ( 6.857 0.000 -0.703) 6.893 12.748 ( -3.071 0.000 -1.637) 3.480 12.917 ( 3.412 0.000 12.091) 12.563 13.265 ( -7.506 0.000 5.489) 9.299 14.212 ( 6.921 0.000 13.455) 15.131 14.906 ( -25.020 0.000 12.071) 27.779 16.019 ( 6.779 0.000 -5.927) 9.005 16.158 ( -0.920 0.000 -3.856) 3.964 18.713 ( 0.323 0.000 -0.019) 0.324 18.731 ( -0.229 0.000 -0.225) 0.321 18.743 ( 0.024 0.000 0.010) 0.026 18.750 ( -0.110 0.000 -0.022) 0.112 20.589 ( 2.149 0.000 1.157) 2.441 20.747 ( -0.778 0.000 1.876) 2.031 21.189 ( 2.881 0.000 -4.433) 5.287 21.458 ( -0.956 0.000 -6.529) 6.599 22.211 ( 6.243 0.000 -0.550) 6.267 22.448 ( 9.895 0.000 -6.486) 11.831 22.631 ( -7.754 0.000 -1.412) 7.882 22.889 ( -7.974 0.000 -6.178) 10.087 23.495 ( 0.814 0.000 10.036) 10.069 23.623 ( -2.988 0.000 9.279) 9.748 24.291 ( 16.052 0.000 -1.554) 16.127 24.808 ( -6.328 0.000 -7.221) 9.602 ======================= Grid point 92 (33/90) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -15.173 0.000 13.273) 20.159 1.540 ( 15.173 0.000 13.273) 20.159 1.767 ( -16.996 0.000 17.734) 24.564 1.767 ( 16.996 0.000 17.734) 24.564 2.528 ( -6.754 0.000 -5.038) 8.426 2.528 ( 6.754 0.000 -5.038) 8.426 2.816 ( -23.442 0.000 9.060) 25.132 2.816 ( 23.442 0.000 9.060) 25.132 3.142 ( -5.862 0.000 -7.783) 9.744 3.142 ( 5.862 0.000 -7.783) 9.744 3.309 ( -5.632 0.000 -2.445) 6.140 3.309 ( 5.632 0.000 -2.445) 6.140 3.736 ( -8.014 0.000 3.918) 8.921 3.736 ( 8.014 0.000 3.918) 8.921 4.250 ( -6.252 0.000 2.677) 6.801 4.250 ( 6.252 0.000 2.677) 6.801 4.469 ( -8.889 0.000 3.276) 9.474 4.469 ( 8.889 0.000 3.276) 9.474 4.578 ( -3.157 0.000 -9.988) 10.475 4.578 ( 3.157 0.000 -9.988) 10.475 4.892 ( -5.178 0.000 -3.838) 6.446 4.892 ( 5.178 0.000 -3.838) 6.446 5.129 ( -3.110 0.000 -3.939) 5.019 5.129 ( 3.110 0.000 -3.939) 5.019 5.308 ( -5.406 0.000 -1.270) 5.553 5.308 ( 5.406 0.000 -1.270) 5.553 5.989 ( -3.869 0.000 3.385) 5.141 5.989 ( 3.869 0.000 3.385) 5.141 6.213 ( -3.267 0.000 -1.670) 3.669 6.213 ( 3.267 0.000 -1.670) 3.669 6.336 ( -1.617 0.000 6.978) 7.163 6.336 ( 1.617 0.000 6.978) 7.163 6.885 ( -9.769 0.000 -4.378) 10.705 6.885 ( 9.769 0.000 -4.378) 10.705 7.351 ( -1.335 0.000 -8.715) 8.817 7.351 ( 1.335 0.000 -8.715) 8.817 7.515 ( -2.324 0.000 -4.271) 4.862 7.515 ( 2.324 0.000 -4.271) 4.862 8.252 ( -11.062 0.000 8.370) 13.872 8.252 ( 11.062 0.000 8.370) 13.872 8.404 ( -1.970 0.000 -1.772) 2.650 8.404 ( 1.970 0.000 -1.772) 2.650 8.628 ( -6.713 0.000 -0.181) 6.715 8.628 ( 6.713 0.000 -0.181) 6.715 9.025 ( -3.212 0.000 4.245) 5.323 9.025 ( 3.212 0.000 4.245) 5.323 9.208 ( -4.836 0.000 -3.043) 5.714 9.208 ( 4.836 0.000 -3.043) 5.714 9.388 ( -1.229 0.000 -6.738) 6.849 9.388 ( 1.229 0.000 -6.738) 6.849 10.762 ( -2.479 0.000 -7.112) 7.532 10.762 ( 2.479 0.000 -7.112) 7.532 11.196 ( -3.058 0.000 -0.692) 3.135 11.196 ( 3.058 0.000 -0.692) 3.135 11.696 ( -6.814 0.000 -9.643) 11.808 11.696 ( 6.814 0.000 -9.643) 11.808 11.947 ( -7.488 0.000 4.425) 8.698 11.947 ( 7.488 0.000 4.425) 8.698 12.205 ( -4.511 0.000 -8.242) 9.396 12.205 ( 4.511 0.000 -8.242) 9.396 12.650 ( -5.540 0.000 -1.140) 5.656 12.650 ( 5.540 0.000 -1.140) 5.656 13.064 ( -9.163 0.000 7.908) 12.103 13.064 ( 9.163 0.000 7.908) 12.103 14.452 ( -15.131 0.000 16.010) 22.029 14.452 ( 15.131 0.000 16.010) 22.029 16.119 ( -2.791 0.000 -5.028) 5.751 16.119 ( 2.791 0.000 -5.028) 5.751 18.723 ( -0.456 0.000 -0.146) 0.479 18.723 ( 0.456 0.000 -0.146) 0.479 18.746 ( -0.195 0.000 0.017) 0.196 18.746 ( 0.195 0.000 0.017) 0.196 20.670 ( -4.535 0.000 2.179) 5.031 20.670 ( 4.535 0.000 2.179) 5.031 21.335 ( -8.000 0.000 -5.848) 9.910 21.335 ( 8.000 0.000 -5.848) 9.910 22.409 ( -10.178 0.000 -2.556) 10.494 22.409 ( 10.178 0.000 -2.556) 10.494 22.685 ( -9.884 0.000 -7.035) 12.132 22.685 ( 9.884 0.000 -7.035) 12.132 23.553 ( -3.357 0.000 8.877) 9.491 23.553 ( 3.357 0.000 8.877) 9.491 24.605 ( -11.689 0.000 -3.675) 12.253 24.605 ( 11.689 0.000 -3.675) 12.253 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.000 14.771 23.005) 27.339 1.246 ( 0.000 11.664 23.659) 26.378 2.055 ( 0.000 13.158 28.440) 31.336 2.173 ( 0.000 17.504 7.774) 19.153 2.343 ( 0.000 6.759 15.010) 16.461 2.425 ( 0.000 8.821 -1.071) 8.885 2.934 ( 0.000 6.917 -3.022) 7.548 2.967 ( 0.000 9.595 -4.932) 10.788 3.135 ( 0.000 -3.520 -3.577) 5.018 3.146 ( 0.000 -3.506 -2.247) 4.164 3.383 ( 0.000 5.933 -7.405) 9.489 3.491 ( 0.000 2.448 -6.150) 6.619 3.594 ( 0.000 -3.822 -2.350) 4.487 3.645 ( 0.000 -2.026 -3.228) 3.811 4.055 ( 0.000 -2.215 0.669) 2.314 4.363 ( 0.000 2.566 -7.008) 7.463 4.512 ( 0.000 -7.180 -2.944) 7.761 4.656 ( 0.000 -1.877 3.892) 4.321 4.712 ( 0.000 0.222 2.536) 2.546 4.792 ( 0.000 -0.794 -3.035) 3.137 4.794 ( 0.000 -5.060 2.649) 5.712 4.933 ( 0.000 -1.686 0.163) 1.693 5.016 ( 0.000 -4.486 -6.295) 7.730 5.108 ( 0.000 11.277 -1.508) 11.377 5.378 ( 0.000 7.338 -7.202) 10.282 5.484 ( 0.000 -3.042 -1.068) 3.224 5.870 ( 0.000 -0.828 -1.117) 1.390 6.080 ( 0.000 2.790 4.841) 5.587 6.091 ( 0.000 4.110 7.337) 8.410 6.393 ( 0.000 6.462 4.057) 7.630 6.409 ( 0.000 -0.817 -6.636) 6.686 6.435 ( 0.000 5.460 2.953) 6.207 6.520 ( 0.000 4.201 -1.501) 4.461 6.959 ( 0.000 -1.309 -3.147) 3.408 7.349 ( 0.000 -2.809 -10.540) 10.908 7.385 ( 0.000 6.977 -9.070) 11.443 7.517 ( 0.000 -12.336 1.190) 12.394 7.526 ( 0.000 2.303 -8.126) 8.446 8.026 ( 0.000 5.146 5.472) 7.512 8.166 ( 0.000 -10.875 5.084) 12.004 8.433 ( 0.000 -7.055 0.181) 7.057 8.519 ( 0.000 -5.792 -1.510) 5.986 8.651 ( 0.000 -7.656 -1.205) 7.750 8.710 ( 0.000 2.750 3.182) 4.206 8.745 ( 0.000 -5.811 4.331) 7.247 8.894 ( 0.000 -5.888 -2.205) 6.287 9.101 ( 0.000 4.318 1.376) 4.532 9.317 ( 0.000 9.279 4.559) 10.338 9.399 ( 0.000 -0.438 -6.832) 6.846 9.519 ( 0.000 12.248 -12.451) 17.466 10.738 ( 0.000 2.685 -7.538) 8.002 10.759 ( 0.000 -7.645 -8.022) 11.081 11.124 ( 0.000 3.705 -0.653) 3.762 11.170 ( 0.000 2.445 -3.297) 4.105 11.629 ( 0.000 6.781 6.188) 9.180 11.731 ( 0.000 -2.379 3.892) 4.562 11.857 ( 0.000 -4.275 -6.342) 7.649 11.948 ( 0.000 -3.768 -13.920) 14.421 12.109 ( 0.000 2.213 -0.938) 2.404 12.393 ( 0.000 0.340 -1.883) 1.914 12.528 ( 0.000 13.664 -2.361) 13.867 12.771 ( 0.000 -1.581 -2.897) 3.301 12.903 ( 0.000 3.004 11.322) 11.714 13.343 ( 0.000 -0.826 6.660) 6.711 14.170 ( 0.000 3.601 11.509) 12.059 15.288 ( 0.000 -4.803 -3.065) 5.697 15.522 ( 0.000 -24.057 12.476) 27.100 16.048 ( 0.000 -11.067 -2.303) 11.304 18.826 ( 0.000 8.034 -0.229) 8.038 18.836 ( 0.000 8.603 -0.138) 8.604 18.850 ( 0.000 13.011 -0.855) 13.039 19.237 ( 0.000 37.602 -18.920) 42.094 20.541 ( 0.000 -3.458 0.944) 3.585 20.689 ( 0.000 -2.259 -0.254) 2.273 21.218 ( 0.000 -0.355 -3.837) 3.854 21.356 ( 0.000 -3.590 -2.205) 4.213 22.168 ( 0.000 0.364 0.528) 0.641 22.300 ( 0.000 -0.312 -1.765) 1.792 22.725 ( 0.000 0.107 -1.942) 1.945 22.974 ( 0.000 -1.501 -5.799) 5.990 23.513 ( 0.000 -0.173 10.558) 10.560 23.694 ( 0.000 0.441 9.098) 9.109 23.918 ( 0.000 -9.337 7.041) 11.694 24.702 ( 0.000 -14.805 -4.432) 15.454 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 12.909 13.208 19.482) 26.845 1.462 ( 15.177 9.006 20.405) 26.978 2.014 ( -10.597 15.707 7.494) 20.376 2.103 ( -7.141 4.796 14.423) 16.793 2.391 ( 12.747 10.963 21.010) 26.909 2.511 ( 6.508 10.849 1.185) 12.706 2.792 ( -6.715 8.596 -3.573) 11.478 3.087 ( 1.193 3.896 -7.172) 8.249 3.123 ( 3.603 3.126 -5.942) 7.620 3.210 ( -0.538 -5.456 -2.487) 6.020 3.310 ( -3.770 -1.034 1.678) 4.254 3.369 ( -2.334 9.647 -8.161) 12.850 3.597 ( -1.981 -5.030 0.374) 5.420 3.777 ( 4.916 -3.173 -4.581) 7.431 4.115 ( 5.276 -1.390 1.834) 5.756 4.384 ( -2.296 2.752 0.398) 3.606 4.437 ( -4.762 -2.533 3.350) 6.349 4.571 ( -7.744 -2.297 1.620) 8.239 4.629 ( -0.687 -1.328 -3.779) 4.064 4.699 ( -6.063 0.601 -2.913) 6.753 4.783 ( 0.474 -1.182 -3.261) 3.501 4.908 ( -2.246 -5.167 -0.523) 5.659 5.059 ( 2.650 -2.775 -3.879) 5.456 5.131 ( 1.161 6.733 -5.518) 8.783 5.370 ( -0.399 7.480 -5.427) 9.250 5.430 ( -3.582 -0.438 0.220) 3.615 5.924 ( 3.585 0.789 -1.308) 3.897 6.073 ( -1.294 1.275 2.335) 2.958 6.151 ( 4.333 3.647 5.150) 7.655 6.342 ( -3.865 6.552 4.109) 8.646 6.393 ( -0.312 4.693 2.599) 5.374 6.470 ( -3.327 5.754 1.183) 6.751 6.580 ( 10.605 -1.880 -4.279) 11.589 6.930 ( -2.589 -4.267 -3.582) 6.143 7.342 ( 0.127 -2.545 -9.093) 9.443 7.407 ( 0.115 4.135 -9.528) 10.387 7.506 ( -0.326 -4.640 -1.381) 4.852 7.531 ( -0.312 0.470 -5.163) 5.194 8.062 ( 4.745 1.658 7.574) 9.090 8.224 ( 2.754 -11.004 2.281) 11.571 8.400 ( -2.731 -6.001 -1.348) 6.730 8.429 ( -4.356 -2.929 0.420) 5.266 8.596 ( -3.218 3.526 4.049) 6.260 8.668 ( -0.709 -7.596 -1.001) 7.695 8.833 ( 3.282 -5.946 3.309) 7.555 8.899 ( -0.344 -5.839 0.303) 5.857 9.186 ( 4.665 -1.323 -1.274) 5.014 9.314 ( -0.713 4.737 3.152) 5.734 9.409 ( 1.482 4.370 -6.439) 7.922 9.523 ( -0.718 11.014 -10.994) 15.578 10.754 ( 1.354 2.479 -7.940) 8.428 10.791 ( 1.394 -3.779 -9.531) 10.347 11.154 ( 2.460 3.029 -0.770) 3.978 11.207 ( 2.532 0.448 -3.760) 4.555 11.573 ( -1.382 1.717 2.096) 3.042 11.740 ( -1.270 -3.476 -0.061) 3.701 11.859 ( -0.144 -0.821 -6.413) 6.467 11.912 ( -2.399 -7.600 -3.729) 8.799 12.195 ( 6.991 7.456 -4.339) 11.104 12.432 ( 1.561 5.960 -3.138) 6.914 12.559 ( 2.373 8.539 -3.144) 9.404 12.732 ( -3.182 -1.770 -2.858) 4.629 12.909 ( 2.151 -0.313 11.971) 12.167 13.252 ( -7.597 -0.960 6.209) 9.858 14.247 ( 6.719 3.579 12.855) 14.939 14.865 ( -21.673 -3.336 12.919) 25.451 15.794 ( 10.800 -17.888 -0.762) 20.909 16.029 ( -1.852 -11.876 -2.463) 12.269 18.821 ( -0.376 8.439 -0.147) 8.448 18.823 ( -0.323 8.193 -0.097) 8.200 18.886 ( 2.530 14.550 -1.348) 14.830 19.112 ( -7.984 30.179 -10.004) 32.781 20.562 ( 2.563 -2.512 0.946) 3.711 20.724 ( -0.571 -2.167 1.543) 2.720 21.165 ( 2.047 -2.441 -4.119) 5.208 21.425 ( -1.090 -3.326 -6.643) 7.509 22.220 ( 6.351 0.885 -0.649) 6.445 22.440 ( 9.734 -0.766 -6.067) 11.496 22.633 ( -7.678 0.241 -1.513) 7.829 22.874 ( -7.864 -1.459 -6.007) 10.003 23.502 ( 1.151 0.630 10.196) 10.280 23.624 ( -2.706 0.196 9.061) 9.459 24.188 ( 15.512 -9.631 2.381) 18.413 24.650 ( -4.773 -13.636 -2.973) 14.750 ======================= Grid point 97 (36/90) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -15.877 13.964 12.541) 24.584 1.705 ( 15.877 13.964 12.541) 24.584 1.819 ( -15.662 5.473 16.598) 23.468 1.819 ( 15.662 5.473 16.598) 23.468 2.621 ( -6.209 9.152 -3.050) 11.472 2.621 ( 6.209 9.152 -3.050) 11.472 2.862 ( -17.447 3.903 4.996) 18.563 2.862 ( 17.447 3.903 4.996) 18.563 3.220 ( -2.146 3.421 -4.544) 6.079 3.220 ( 2.146 3.421 -4.544) 6.079 3.301 ( -3.367 2.426 -2.919) 5.074 3.301 ( 3.367 2.426 -2.919) 5.074 3.672 ( -9.219 -4.107 2.878) 10.495 3.672 ( 9.219 -4.107 2.878) 10.495 4.266 ( -6.938 -0.503 3.106) 7.618 4.266 ( 6.938 -0.503 3.106) 7.618 4.447 ( -5.244 -0.032 1.289) 5.400 4.447 ( 5.244 -0.032 1.289) 5.400 4.617 ( -0.924 2.135 -7.656) 8.002 4.617 ( 0.924 2.135 -7.656) 8.002 4.835 ( -3.741 -4.878 -2.124) 6.503 4.835 ( 3.741 -4.878 -2.124) 6.503 5.118 ( -2.276 -0.444 -4.856) 5.381 5.118 ( 2.276 -0.444 -4.856) 5.381 5.374 ( -1.096 5.505 -1.792) 5.892 5.374 ( 1.096 5.505 -1.792) 5.892 6.013 ( -3.908 1.276 -0.266) 4.119 6.013 ( 3.908 1.276 -0.266) 4.119 6.246 ( -4.284 4.516 3.714) 7.249 6.246 ( 4.284 4.516 3.714) 7.249 6.408 ( -1.838 6.472 3.075) 7.397 6.408 ( 1.838 6.472 3.075) 7.397 6.814 ( -8.414 -5.336 -3.677) 10.620 6.814 ( 8.414 -5.336 -3.677) 10.620 7.368 ( -2.243 -1.346 -7.939) 8.359 7.368 ( 2.243 -1.346 -7.939) 8.359 7.517 ( -0.830 1.576 -3.946) 4.329 7.517 ( 0.830 1.576 -3.946) 4.329 8.207 ( -5.747 -5.485 5.738) 9.800 8.207 ( 5.747 -5.485 5.738) 9.800 8.355 ( -0.208 -3.970 -0.575) 4.017 8.355 ( 0.208 -3.970 -0.575) 4.017 8.617 ( -3.268 -0.387 0.168) 3.295 8.617 ( 3.268 -0.387 0.168) 3.295 8.881 ( -1.291 -8.453 2.093) 8.804 8.881 ( 1.291 -8.453 2.093) 8.804 9.270 ( -3.047 -0.726 -0.118) 3.134 9.270 ( 3.047 -0.726 -0.118) 3.134 9.470 ( -3.373 9.319 -6.878) 12.064 9.470 ( 3.373 9.319 -6.878) 12.064 10.788 ( -1.318 1.190 -8.907) 9.083 10.788 ( 1.318 1.190 -8.907) 9.083 11.213 ( -2.116 1.373 -1.601) 2.988 11.213 ( 2.116 1.373 -1.601) 2.988 11.642 ( -6.118 -4.598 -4.089) 8.677 11.642 ( 6.118 -4.598 -4.089) 8.677 11.872 ( -1.311 -2.974 -1.906) 3.768 11.872 ( 1.311 -2.974 -1.906) 3.768 12.365 ( -6.917 11.087 -3.784) 13.605 12.365 ( 6.917 11.087 -3.784) 13.605 12.643 ( -4.562 -0.769 -2.579) 5.297 12.643 ( 4.562 -0.769 -2.579) 5.297 13.048 ( -9.338 -1.481 7.989) 12.378 13.048 ( 9.338 -1.481 7.989) 12.378 14.470 ( -13.559 2.073 15.150) 20.437 14.470 ( 13.559 2.073 15.150) 20.437 15.958 ( -4.740 -14.154 -2.680) 15.166 15.958 ( 4.740 -14.154 -2.680) 15.166 18.818 ( -0.097 8.119 -0.052) 8.120 18.818 ( 0.097 8.119 -0.052) 8.120 18.966 ( -4.837 20.281 -3.392) 21.123 18.966 ( 4.837 20.281 -3.392) 21.123 20.648 ( -4.629 -2.015 1.991) 5.427 20.648 ( 4.629 -2.015 1.991) 5.427 21.302 ( -7.871 -3.382 -5.838) 10.367 21.302 ( 7.871 -3.382 -5.838) 10.367 22.416 ( -10.014 0.732 -2.534) 10.355 22.416 ( 10.014 0.732 -2.534) 10.355 22.673 ( -9.791 -1.213 -6.881) 12.029 22.673 ( 9.791 -1.213 -6.881) 12.029 23.561 ( -3.160 0.789 8.865) 9.444 23.561 ( 3.160 0.789 8.865) 9.444 24.482 ( -10.403 -11.347 -0.673) 15.408 24.482 ( 10.403 -11.347 -0.673) 15.408 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 17.373 19.254) 25.934 1.549 ( 0.000 17.766 16.012) 23.917 2.306 ( 0.000 9.856 11.456) 15.112 2.537 ( 0.000 19.414 8.008) 21.001 2.624 ( 0.000 9.323 2.625) 9.686 2.654 ( 0.000 18.523 10.715) 21.398 2.971 ( 0.000 -6.588 3.541) 7.479 2.974 ( 0.000 -3.045 1.531) 3.408 3.103 ( 0.000 0.215 1.960) 1.971 3.265 ( 0.000 10.753 -3.306) 11.250 3.425 ( 0.000 -0.578 -6.487) 6.513 3.561 ( 0.000 3.237 0.409) 3.263 3.585 ( 0.000 6.002 -2.355) 6.447 3.735 ( 0.000 11.635 -8.915) 14.658 3.980 ( 0.000 -4.338 -0.087) 4.339 4.350 ( 0.000 -4.423 -8.152) 9.274 4.373 ( 0.000 -7.276 -9.145) 11.687 4.549 ( 0.000 -7.664 3.224) 8.314 4.675 ( 0.000 -7.190 0.592) 7.215 4.718 ( 0.000 1.481 7.793) 7.933 4.732 ( 0.000 -5.307 -0.259) 5.314 4.880 ( 0.000 -1.884 -3.768) 4.213 5.036 ( 0.000 2.648 -1.198) 2.907 5.315 ( 0.000 1.977 -3.228) 3.785 5.461 ( 0.000 7.996 -0.078) 7.996 5.510 ( 0.000 7.102 -8.498) 11.075 5.892 ( 0.000 3.569 -4.034) 5.386 6.121 ( 0.000 2.004 0.662) 2.111 6.128 ( 0.000 -1.754 -1.121) 2.082 6.422 ( 0.000 2.089 2.054) 2.930 6.553 ( 0.000 7.370 -0.016) 7.370 6.597 ( 0.000 3.157 -6.101) 6.870 6.600 ( 0.000 11.439 6.713) 13.263 6.975 ( 0.000 3.863 -2.757) 4.746 7.271 ( 0.000 -9.066 0.400) 9.074 7.284 ( 0.000 -3.677 -9.243) 9.948 7.545 ( 0.000 4.924 -6.528) 8.177 7.551 ( 0.000 -0.189 -4.530) 4.534 7.901 ( 0.000 -14.696 4.823) 15.467 8.035 ( 0.000 -6.732 0.707) 6.769 8.327 ( 0.000 -1.179 2.495) 2.760 8.451 ( 0.000 0.597 0.934) 1.108 8.463 ( 0.000 -8.614 -0.444) 8.625 8.612 ( 0.000 -7.417 3.544) 8.221 8.717 ( 0.000 -5.252 1.778) 5.544 8.879 ( 0.000 5.373 -1.323) 5.533 9.150 ( 0.000 1.197 2.606) 2.868 9.242 ( 0.000 -8.380 -0.601) 8.401 9.609 ( 0.000 13.385 -0.701) 13.403 9.758 ( 0.000 11.050 -14.081) 17.899 10.582 ( 0.000 -9.557 -8.300) 12.658 10.743 ( 0.000 -3.939 -8.799) 9.640 11.223 ( 0.000 2.878 -3.790) 4.759 11.227 ( 0.000 6.482 -1.967) 6.774 11.590 ( 0.000 -8.963 2.686) 9.357 11.776 ( 0.000 4.418 5.351) 6.939 11.847 ( 0.000 3.627 -4.874) 6.076 11.862 ( 0.000 -1.749 -10.467) 10.612 12.205 ( 0.000 4.950 -0.049) 4.951 12.403 ( 0.000 0.656 -2.614) 2.695 12.649 ( 0.000 -1.272 1.497) 1.964 12.700 ( 0.000 -5.771 -3.729) 6.871 13.090 ( 0.000 13.866 0.560) 13.877 13.342 ( 0.000 0.982 8.072) 8.131 14.278 ( 0.000 7.344 10.101) 12.489 15.145 ( 0.000 -12.114 16.905) 20.797 15.151 ( 0.000 -8.732 -1.656) 8.888 15.771 ( 0.000 -15.828 -0.103) 15.829 19.049 ( 0.000 13.920 -0.776) 13.942 19.063 ( 0.000 13.360 0.054) 13.361 19.161 ( 0.000 16.453 -1.981) 16.572 19.856 ( 0.000 19.577 -24.875) 31.655 20.475 ( 0.000 -1.086 -1.821) 2.120 20.630 ( 0.000 -3.292 -0.844) 3.399 21.204 ( 0.000 -1.140 -5.149) 5.274 21.256 ( 0.000 -6.032 -2.549) 6.548 22.180 ( 0.000 0.942 0.528) 1.080 22.290 ( 0.000 -0.781 -1.353) 1.562 22.732 ( 0.000 0.649 -1.842) 1.953 22.929 ( 0.000 -2.958 -5.112) 5.907 23.506 ( 0.000 -0.505 11.325) 11.337 23.713 ( 0.000 -9.613 14.271) 17.206 23.718 ( 0.000 2.258 7.568) 7.898 24.397 ( 0.000 -14.724 -0.395) 14.729 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 11.354 15.433 16.310) 25.162 1.705 ( 11.008 14.755 15.718) 24.206 2.233 ( -7.947 8.965 9.941) 15.567 2.353 ( -13.740 15.225 7.034) 21.681 2.675 ( 7.351 11.982 7.542) 15.953 2.763 ( 4.885 9.800 3.470) 11.487 2.916 ( -1.014 6.805 1.653) 7.076 3.033 ( 0.278 -10.217 -0.603) 10.238 3.120 ( -0.693 0.199 -0.095) 0.727 3.208 ( -2.227 1.264 1.851) 3.159 3.419 ( 0.652 10.790 -1.822) 10.962 3.506 ( 1.985 4.495 -3.078) 5.799 3.630 ( -5.004 10.997 -6.314) 13.632 3.766 ( 3.943 3.372 -3.747) 6.400 4.052 ( 5.983 -4.291 0.816) 7.408 4.349 ( -3.367 -5.709 -3.505) 7.498 4.406 ( 2.021 -2.616 -4.639) 5.696 4.518 ( -3.595 -4.295 -0.907) 5.674 4.605 ( -0.696 1.510 4.761) 5.043 4.648 ( -3.054 -5.533 -0.397) 6.332 4.722 ( -1.063 -5.882 -0.760) 6.025 4.837 ( -3.758 -0.673 -1.443) 4.081 5.069 ( 1.789 1.692 -0.974) 2.647 5.238 ( -5.388 0.898 -2.111) 5.856 5.479 ( 1.285 8.157 -2.477) 8.621 5.512 ( -0.039 7.618 -6.991) 10.340 5.950 ( 3.737 2.168 -4.926) 6.552 6.061 ( -1.832 -1.775 -3.294) 4.166 6.247 ( 5.995 3.879 3.415) 7.915 6.444 ( -0.229 2.693 1.866) 3.284 6.565 ( 0.423 10.177 2.141) 10.408 6.569 ( 0.296 4.289 -4.263) 6.054 6.620 ( 1.992 7.243 2.460) 7.905 6.897 ( -5.759 2.336 -2.588) 6.732 7.262 ( -0.622 -5.275 -6.384) 8.305 7.293 ( 0.188 -8.190 -2.795) 8.656 7.534 ( 0.355 1.205 -4.567) 4.737 7.571 ( 0.214 1.803 -4.169) 4.548 7.941 ( 3.337 -13.935 2.968) 14.633 8.036 ( -0.071 -9.141 0.280) 9.145 8.294 ( -1.891 -2.726 1.048) 3.480 8.386 ( -4.999 -1.735 1.275) 5.443 8.529 ( 4.488 -3.436 0.853) 5.716 8.600 ( 1.557 -2.914 3.416) 4.753 8.758 ( 0.578 -6.841 0.351) 6.874 8.837 ( -3.329 4.292 0.464) 5.451 9.165 ( 1.320 -1.151 2.075) 2.715 9.232 ( -0.862 -7.524 -0.194) 7.576 9.630 ( 1.861 12.852 -2.220) 13.175 9.742 ( -1.670 10.825 -11.445) 15.841 10.647 ( 4.678 -9.785 -9.806) 14.622 10.749 ( 0.300 -4.885 -9.284) 10.495 11.233 ( 0.986 3.936 -2.739) 4.896 11.240 ( 0.794 3.595 -3.258) 4.917 11.561 ( -1.740 -5.486 1.281) 5.896 11.673 ( -6.173 -1.253 -0.637) 6.331 11.863 ( 1.116 4.006 -2.834) 5.032 11.880 ( 0.649 2.652 -5.800) 6.410 12.339 ( 9.690 5.811 1.527) 11.402 12.453 ( 3.732 -0.492 -2.169) 4.344 12.647 ( -1.724 -5.173 -5.145) 7.497 12.735 ( 4.082 1.273 -0.905) 4.371 12.973 ( -8.078 8.613 5.548) 13.047 13.243 ( -8.399 0.241 6.684) 10.737 14.358 ( 6.598 7.678 10.909) 14.882 14.819 ( -13.799 -0.246 12.183) 18.409 15.442 ( 10.947 -16.546 2.425) 19.987 15.737 ( -3.003 -16.329 -0.086) 16.604 19.044 ( -0.393 13.639 -0.532) 13.655 19.046 ( -0.781 13.391 -0.039) 13.413 19.227 ( 5.363 17.424 -2.986) 18.474 19.662 ( -13.176 20.651 -15.620) 29.052 20.512 ( 3.235 -1.313 -0.763) 3.574 20.675 ( 0.331 -2.134 0.152) 2.165 21.091 ( -0.323 -4.899 -3.226) 5.875 21.329 ( -1.867 -6.202 -7.000) 9.537 22.246 ( 6.628 1.698 -0.963) 6.910 22.417 ( 9.200 -1.538 -4.980) 10.574 22.643 ( -7.400 0.879 -1.806) 7.668 22.832 ( -7.487 -2.633 -5.349) 9.571 23.519 ( 2.362 1.096 10.768) 11.078 23.637 ( -1.710 1.229 8.557) 8.812 23.965 ( 12.758 -11.026 8.901) 19.067 24.354 ( -3.934 -14.819 1.047) 15.368 ======================= Grid point 102 (39/90) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -10.475 11.929 12.677) 20.316 1.979 ( 10.475 11.929 12.677) 20.316 1.999 ( -13.077 12.756 11.913) 21.810 1.999 ( 13.077 12.756 11.913) 21.810 2.817 ( -2.891 3.064 -0.337) 4.226 2.817 ( 2.891 3.064 -0.337) 4.226 2.943 ( -5.813 6.768 -1.809) 9.103 2.943 ( 5.813 6.768 -1.809) 9.103 3.157 ( -4.037 -4.788 3.211) 7.038 3.157 ( 4.037 -4.788 3.211) 7.038 3.479 ( -4.486 11.740 -3.095) 12.944 3.479 ( 4.486 11.740 -3.095) 12.944 3.690 ( -9.213 6.830 -0.414) 11.476 3.690 ( 9.213 6.830 -0.414) 11.476 4.209 ( -7.199 -4.210 1.222) 8.429 4.209 ( 7.199 -4.210 1.222) 8.429 4.455 ( -3.617 -0.886 -0.127) 3.726 4.455 ( 3.617 -0.886 -0.127) 3.726 4.621 ( -0.920 -2.906 -4.219) 5.205 4.621 ( 0.920 -2.906 -4.219) 5.205 4.741 ( -3.815 -2.655 0.305) 4.658 4.741 ( 3.815 -2.655 0.305) 4.658 5.126 ( -3.896 0.413 -1.034) 4.052 5.126 ( 3.896 0.413 -1.034) 4.052 5.503 ( -0.770 7.964 -4.952) 9.409 5.503 ( 0.770 7.964 -4.952) 9.409 6.021 ( -2.329 -0.245 -4.642) 5.199 6.021 ( 2.329 -0.245 -4.642) 5.199 6.369 ( -5.042 5.824 3.167) 8.329 6.369 ( 5.042 5.824 3.167) 8.329 6.572 ( -0.728 9.183 0.080) 9.212 6.572 ( 0.728 9.183 0.080) 9.212 6.748 ( -7.414 0.537 -1.455) 7.575 6.748 ( 7.414 0.537 -1.455) 7.575 7.272 ( -1.381 -6.734 -4.997) 8.498 7.272 ( 1.381 -6.734 -4.997) 8.498 7.557 ( -1.230 0.770 -3.152) 3.470 7.557 ( 1.230 0.770 -3.152) 3.470 8.015 ( -2.359 -13.092 0.578) 13.315 8.015 ( 2.359 -13.092 0.578) 13.315 8.290 ( -2.353 -1.933 1.327) 3.321 8.290 ( 2.353 -1.933 1.327) 3.321 8.620 ( -2.368 -1.072 0.886) 2.747 8.620 ( 2.368 -1.072 0.886) 2.747 8.762 ( -2.277 -1.808 1.798) 3.418 8.762 ( 2.277 -1.808 1.798) 3.418 9.203 ( -1.739 -4.902 0.897) 5.278 9.203 ( 1.739 -4.902 0.897) 5.278 9.686 ( -2.924 11.629 -6.316) 13.552 9.686 ( 2.924 11.629 -6.316) 13.552 10.733 ( -2.276 -7.715 -10.294) 13.064 10.733 ( 2.276 -7.715 -10.294) 13.064 11.250 ( -0.217 2.676 -3.037) 4.053 11.250 ( 0.217 2.676 -3.037) 4.053 11.565 ( -2.792 -3.094 -0.857) 4.254 11.565 ( 2.792 -3.094 -0.857) 4.254 11.883 ( -0.463 4.302 -3.678) 5.679 11.883 ( 0.463 4.302 -3.678) 5.679 12.513 ( -1.830 0.041 1.491) 2.361 12.513 ( 1.830 0.041 1.491) 2.361 12.660 ( -7.530 5.434 -5.312) 10.698 12.660 ( 7.530 5.434 -5.312) 10.698 13.014 ( -10.400 -1.773 7.538) 12.966 13.014 ( 10.400 -1.773 7.538) 12.966 14.549 ( -10.348 6.266 12.383) 17.312 14.549 ( 10.348 6.266 12.383) 17.312 15.634 ( -6.440 -17.283 0.323) 18.447 15.634 ( 6.440 -17.283 0.323) 18.447 19.038 ( -0.061 13.385 -0.206) 13.387 19.038 ( 0.061 13.385 -0.206) 13.387 19.395 ( -9.831 19.628 -6.716) 22.957 19.395 ( 9.831 19.628 -6.716) 22.957 20.607 ( -4.747 -1.347 1.056) 5.046 20.607 ( 4.747 -1.347 1.056) 5.046 21.201 ( -7.570 -6.768 -5.777) 11.683 21.201 ( 7.570 -6.768 -5.777) 11.683 22.439 ( -9.636 1.552 -2.592) 10.098 22.439 ( 9.636 1.552 -2.592) 10.098 22.639 ( -9.551 -2.233 -6.309) 11.662 22.639 ( 9.551 -2.233 -6.309) 11.662 23.588 ( -2.945 2.112 8.837) 9.552 23.588 ( 2.945 2.112 8.837) 9.552 24.213 ( -8.833 -14.245 4.458) 17.344 24.213 ( 8.833 -14.245 4.458) 17.344 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 0.000 18.466 13.582) 22.923 1.916 ( 0.000 18.349 9.631) 20.723 2.480 ( 0.000 5.788 7.383) 9.381 2.628 ( 0.000 -11.266 4.976) 12.316 2.650 ( 0.000 -5.926 2.660) 6.496 2.908 ( 0.000 11.242 1.104) 11.296 2.920 ( 0.000 4.628 3.094) 5.567 2.990 ( 0.000 -10.446 7.438) 12.823 3.217 ( 0.000 19.872 5.955) 20.745 3.369 ( 0.000 2.841 3.871) 4.802 3.472 ( 0.000 3.712 -1.381) 3.960 3.640 ( 0.000 -2.670 0.609) 2.739 3.791 ( 0.000 16.421 0.798) 16.440 3.949 ( 0.000 4.952 -8.292) 9.658 4.024 ( 0.000 13.610 -5.557) 14.701 4.202 ( 0.000 -8.455 -5.346) 10.003 4.226 ( 0.000 -6.277 -8.005) 10.172 4.396 ( 0.000 -7.934 -0.637) 7.960 4.485 ( 0.000 -11.898 1.623) 12.008 4.572 ( 0.000 -10.642 -3.364) 11.161 4.795 ( 0.000 5.848 6.062) 8.423 4.902 ( 0.000 4.351 1.512) 4.606 5.032 ( 0.000 -3.248 1.039) 3.410 5.206 ( 0.000 -8.220 3.750) 9.035 5.672 ( 0.000 8.645 -7.788) 11.636 5.741 ( 0.000 13.464 -8.331) 15.833 5.990 ( 0.000 4.324 -8.003) 9.096 6.044 ( 0.000 -5.306 -5.191) 7.423 6.196 ( 0.000 6.615 -0.539) 6.637 6.440 ( 0.000 -1.068 3.014) 3.198 6.648 ( 0.000 2.089 -9.987) 10.203 6.684 ( 0.000 4.696 -5.063) 6.906 6.821 ( 0.000 10.445 4.703) 11.455 7.101 ( 0.000 6.828 -0.351) 6.837 7.162 ( 0.000 -1.518 1.206) 1.939 7.202 ( 0.000 -4.508 -5.610) 7.197 7.479 ( 0.000 -8.366 -2.218) 8.655 7.541 ( 0.000 -5.909 -3.221) 6.730 7.669 ( 0.000 -4.955 4.502) 6.695 7.837 ( 0.000 -9.635 -2.344) 9.916 8.333 ( 0.000 0.360 0.873) 0.944 8.338 ( 0.000 -3.754 -0.398) 3.775 8.475 ( 0.000 -4.783 3.233) 5.773 8.575 ( 0.000 10.199 4.452) 11.129 8.588 ( 0.000 -6.692 0.972) 6.762 8.996 ( 0.000 2.589 1.094) 2.811 9.055 ( 0.000 -7.459 1.829) 7.680 9.154 ( 0.000 -0.869 3.134) 3.252 9.885 ( 0.000 14.388 -2.876) 14.673 9.961 ( 0.000 9.488 -13.005) 16.098 10.393 ( 0.000 -9.197 -9.133) 12.962 10.560 ( 0.000 -13.473 -7.264) 15.307 11.284 ( 0.000 3.332 -3.708) 4.985 11.372 ( 0.000 7.681 -4.203) 8.755 11.448 ( 0.000 -5.192 0.452) 5.212 11.687 ( 0.000 -7.401 -7.145) 10.288 11.959 ( 0.000 6.639 -4.025) 7.764 11.978 ( 0.000 6.912 4.598) 8.302 12.290 ( 0.000 3.843 3.821) 5.419 12.421 ( 0.000 1.365 -3.893) 4.126 12.550 ( 0.000 -8.742 -1.514) 8.872 12.570 ( 0.000 -5.302 1.092) 5.414 13.320 ( 0.000 7.829 -0.469) 7.843 13.377 ( 0.000 2.063 7.072) 7.367 14.463 ( 0.000 11.150 6.956) 13.142 14.949 ( 0.000 -11.441 0.410) 11.449 15.045 ( 0.000 1.572 12.203) 12.304 15.451 ( 0.000 -15.603 2.476) 15.798 19.327 ( 0.000 12.093 -0.003) 12.093 19.357 ( 0.000 16.393 -1.814) 16.493 19.437 ( 0.000 9.691 -1.808) 9.858 19.936 ( 0.000 -8.092 -9.608) 12.562 20.552 ( 0.000 5.637 -10.725) 12.116 20.579 ( 0.000 -1.150 -2.395) 2.656 21.144 ( 0.000 -4.104 -4.605) 6.168 21.170 ( 0.000 -2.275 -7.074) 7.431 22.205 ( 0.000 1.516 0.253) 1.537 22.268 ( 0.000 -1.340 -0.823) 1.573 22.754 ( 0.000 1.655 -1.924) 2.538 22.863 ( 0.000 -3.495 -3.654) 5.057 23.497 ( 0.000 -0.192 12.367) 12.369 23.568 ( 0.000 -4.955 15.360) 16.139 23.791 ( 0.000 5.176 5.653) 7.665 24.131 ( 0.000 -11.901 1.549) 12.001 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 7.788 16.711 11.424) 21.689 2.024 ( 8.233 16.633 10.103) 21.131 2.440 ( -5.362 11.060 7.400) 14.347 2.580 ( -10.426 4.850 5.732) 12.848 2.626 ( 0.478 -9.500 1.923) 9.705 2.751 ( -0.927 -9.193 4.962) 10.488 2.893 ( -7.101 -2.389 0.064) 7.493 2.964 ( -3.465 -10.918 5.743) 12.814 3.265 ( 3.567 17.920 3.045) 18.524 3.335 ( 0.885 11.424 0.244) 11.461 3.589 ( 5.829 5.719 0.599) 8.188 3.665 ( 1.785 1.365 0.184) 2.255 3.826 ( 2.342 13.112 -0.557) 13.332 3.954 ( -3.508 12.566 -5.505) 14.160 4.009 ( 4.643 1.837 -4.638) 6.815 4.204 ( 0.717 -6.544 -4.025) 7.716 4.329 ( 5.827 -5.653 -6.031) 10.113 4.398 ( -2.075 -5.945 -2.937) 6.948 4.466 ( -0.120 -10.938 0.983) 10.983 4.550 ( -2.065 -9.846 -2.634) 10.399 4.748 ( -1.714 8.716 6.944) 11.275 4.870 ( -2.897 4.070 2.335) 5.514 5.049 ( 0.993 -4.054 1.967) 4.614 5.160 ( -3.628 -7.081 4.075) 8.939 5.672 ( 0.474 9.102 -7.149) 11.583 5.737 ( -0.912 13.491 -7.678) 15.550 5.986 ( -0.389 -1.845 -5.328) 5.652 6.011 ( -0.597 -1.244 -7.198) 7.329 6.313 ( 7.308 4.433 -2.085) 8.798 6.493 ( 3.428 1.787 0.611) 3.914 6.601 ( -1.410 1.114 -7.725) 7.931 6.732 ( 1.367 2.169 -3.689) 4.492 6.820 ( 0.565 12.508 2.897) 12.852 7.022 ( -6.036 8.595 -0.320) 10.508 7.161 ( -1.076 -3.124 -1.301) 3.551 7.177 ( -0.676 -3.973 -2.739) 4.873 7.483 ( 0.951 -5.882 -1.015) 6.044 7.564 ( 0.529 -3.908 -3.541) 5.301 7.671 ( 0.798 -10.024 3.109) 10.525 7.804 ( -2.738 -11.804 -2.256) 12.326 8.278 ( -1.355 0.637 0.890) 1.742 8.366 ( -1.611 0.432 0.717) 1.815 8.453 ( 0.748 -4.904 2.962) 5.777 8.577 ( 0.039 -4.909 1.076) 5.026 8.681 ( 6.043 5.239 2.685) 8.437 8.955 ( -4.102 6.148 1.676) 7.578 9.058 ( 0.992 -9.462 1.655) 9.656 9.133 ( -1.659 -2.316 2.909) 4.072 9.896 ( 1.116 13.890 -4.445) 14.627 9.961 ( -0.467 11.323 -10.487) 15.440 10.429 ( 3.044 -11.516 -9.386) 15.165 10.551 ( -1.019 -13.900 -7.868) 16.004 11.294 ( 0.862 3.305 -3.861) 5.155 11.353 ( -1.416 6.373 -3.965) 7.639 11.452 ( 0.647 -4.704 -0.736) 4.805 11.605 ( -5.649 -5.343 -5.199) 9.354 11.993 ( 2.097 7.711 -0.164) 7.993 12.002 ( 2.146 8.106 -2.323) 8.701 12.361 ( 2.837 -2.820 3.965) 5.632 12.480 ( -0.166 -2.877 -0.072) 2.883 12.521 ( 6.318 -0.973 -5.420) 8.381 12.691 ( 9.234 -3.940 3.282) 10.563 13.150 ( -13.095 7.091 2.326) 15.072 13.255 ( -10.445 0.490 5.307) 11.726 14.552 ( 6.897 11.633 7.509) 15.468 14.873 ( -5.444 5.017 7.342) 10.427 15.141 ( 6.635 -13.074 4.689) 15.393 15.410 ( -3.668 -16.062 2.373) 16.645 19.317 ( -0.333 12.952 -0.212) 12.958 19.345 ( -1.004 15.822 -1.456) 15.920 19.498 ( 5.012 8.091 -2.691) 9.891 19.833 ( -7.893 -2.945 -8.416) 11.908 20.550 ( 2.334 4.460 -4.296) 6.618 20.676 ( 3.776 2.314 -5.055) 6.720 20.988 ( -5.222 -4.060 -2.381) 7.030 21.185 ( -4.193 -8.150 -7.320) 11.729 22.286 ( 7.025 2.270 -1.540) 7.542 22.380 ( 8.383 -2.163 -3.641) 9.392 22.670 ( -6.999 1.828 -2.299) 7.590 22.774 ( -6.987 -3.087 -4.216) 8.725 23.547 ( 4.506 1.841 11.542) 12.527 23.656 ( 4.104 -0.825 10.240) 11.063 23.814 ( 3.250 -2.162 8.620) 9.463 24.085 ( -4.102 -11.967 3.265) 13.065 ======================= Grid point 107 (42/90) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -5.725 13.808 9.204) 17.554 2.241 ( 5.725 13.808 9.204) 17.554 2.250 ( -5.880 13.099 8.544) 16.708 2.250 ( 5.880 13.099 8.544) 16.708 2.712 ( -6.719 -9.499 0.563) 11.648 2.712 ( 6.719 -9.499 0.563) 11.648 2.847 ( -6.050 -13.350 3.979) 15.187 2.847 ( 6.050 -13.350 3.979) 15.187 3.335 ( -1.823 15.994 -1.272) 16.147 3.335 ( 1.823 15.994 -1.272) 16.147 3.681 ( -1.382 4.858 1.366) 5.232 3.681 ( 1.382 4.858 1.366) 5.232 3.883 ( -3.136 11.792 -2.943) 12.552 3.883 ( 3.136 11.792 -2.943) 12.552 4.143 ( -6.341 -0.994 -3.642) 7.380 4.143 ( 6.341 -0.994 -3.642) 7.380 4.396 ( -2.712 -4.624 -1.007) 5.454 4.396 ( 2.712 -4.624 -1.007) 5.454 4.478 ( -3.450 -9.657 -2.674) 10.597 4.478 ( 3.450 -9.657 -2.674) 10.597 4.785 ( -4.035 6.004 4.280) 8.406 4.785 ( 4.035 6.004 4.280) 8.406 5.083 ( -2.539 -5.199 3.709) 6.873 5.083 ( 2.539 -5.199 3.709) 6.873 5.700 ( -1.871 10.998 -6.724) 13.025 5.700 ( 1.871 10.998 -6.724) 13.025 5.997 ( -0.997 -2.727 -6.331) 6.966 5.997 ( 0.997 -2.727 -6.331) 6.966 6.459 ( -5.251 4.665 -4.080) 8.122 6.459 ( 5.251 4.665 -4.080) 8.122 6.679 ( -5.516 0.079 -1.464) 5.707 6.679 ( 5.516 0.079 -1.464) 5.707 6.886 ( -5.078 11.306 -0.667) 12.412 6.886 ( 5.078 11.306 -0.667) 12.412 7.158 ( -0.779 -3.495 -1.608) 3.925 7.158 ( 0.779 -3.495 -1.608) 3.925 7.529 ( -2.761 -2.974 -0.508) 4.090 7.529 ( 2.761 -2.974 -0.508) 4.090 7.728 ( -3.665 -14.436 -1.426) 14.962 7.728 ( 3.665 -14.436 -1.426) 14.962 8.296 ( -2.818 2.658 1.541) 4.169 8.296 ( 2.818 2.658 1.541) 4.169 8.525 ( -3.978 -6.832 1.128) 7.986 8.525 ( 3.978 -6.832 1.128) 7.986 8.830 ( -6.622 6.389 2.218) 9.465 8.830 ( 6.622 6.389 2.218) 9.465 9.093 ( -1.798 -6.004 2.137) 6.622 9.093 ( 1.798 -6.004 2.137) 6.622 9.932 ( -1.819 13.242 -7.026) 15.101 9.932 ( 1.819 13.242 -7.026) 15.101 10.505 ( -3.095 -14.007 -9.005) 16.937 10.505 ( 3.095 -14.007 -9.005) 16.937 11.320 ( -1.394 4.157 -3.898) 5.867 11.320 ( 1.394 4.157 -3.898) 5.867 11.496 ( -3.516 -4.062 -2.981) 6.144 11.496 ( 3.516 -4.062 -2.981) 6.144 12.029 ( -0.471 9.496 -1.881) 9.692 12.029 ( 0.471 9.496 -1.881) 9.692 12.413 ( -2.947 -7.929 -0.399) 8.468 12.413 ( 2.947 -7.929 -0.399) 8.468 12.801 ( -13.843 6.767 0.256) 15.411 12.801 ( 13.843 6.767 0.256) 15.411 12.975 ( -12.256 -2.360 5.957) 13.829 12.975 ( 12.256 -2.360 5.957) 13.829 14.723 ( -7.714 11.099 8.454) 15.942 14.723 ( 7.714 11.099 8.454) 15.942 15.294 ( -6.425 -16.590 2.461) 17.960 15.294 ( 6.425 -16.590 2.461) 17.960 19.322 ( -0.775 14.402 -0.756) 14.443 19.322 ( 0.775 14.402 -0.756) 14.443 19.646 ( -7.964 4.088 -5.234) 10.370 19.646 ( 7.964 4.088 -5.234) 10.370 20.642 ( -4.950 5.837 -1.801) 7.863 20.642 ( 4.950 5.837 -1.801) 7.863 21.035 ( -7.256 -9.808 -5.542) 13.400 21.035 ( 7.256 -9.808 -5.542) 13.400 22.478 ( -9.288 2.341 -3.013) 10.042 22.478 ( 9.288 2.341 -3.013) 10.042 22.587 ( -9.283 -2.831 -5.233) 11.026 22.587 ( 9.283 -2.831 -5.233) 11.026 23.650 ( -3.596 4.296 8.805) 10.437 23.650 ( 3.596 4.296 8.805) 10.437 23.953 ( -7.285 -11.412 7.561) 15.507 23.953 ( 7.285 -11.412 7.561) 15.507 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 0.000 -0.331 6.740) 6.748 2.192 ( 0.000 0.331 6.740) 6.748 2.392 ( 0.000 -1.626 7.197) 7.378 2.392 ( 0.000 1.626 7.197) 7.378 2.761 ( 0.000 -11.356 6.522) 13.095 2.761 ( 0.000 11.356 6.522) 13.095 3.001 ( 0.000 -1.230 1.417) 1.877 3.001 ( 0.000 1.230 1.417) 1.877 3.460 ( 0.000 -5.259 7.853) 9.451 3.460 ( 0.000 5.259 7.853) 9.451 3.526 ( 0.000 -9.360 -2.557) 9.703 3.526 ( 0.000 9.360 -2.557) 9.703 4.004 ( 0.000 -0.183 -8.340) 8.342 4.004 ( 0.000 0.183 -8.340) 8.342 4.178 ( 0.000 -7.047 3.886) 8.048 4.178 ( 0.000 7.047 3.886) 8.048 4.251 ( 0.000 -3.307 -2.803) 4.335 4.251 ( 0.000 3.307 -2.803) 4.335 4.328 ( 0.000 -11.678 -5.904) 13.086 4.328 ( 0.000 11.678 -5.904) 13.086 4.927 ( 0.000 -6.695 2.936) 7.311 4.927 ( 0.000 6.695 2.936) 7.311 5.036 ( 0.000 -8.348 4.122) 9.310 5.036 ( 0.000 8.348 4.122) 9.310 5.826 ( 0.000 -5.449 -7.892) 9.591 5.826 ( 0.000 5.449 -7.892) 9.591 6.009 ( 0.000 -1.852 -8.250) 8.455 6.009 ( 0.000 1.852 -8.250) 8.455 6.359 ( 0.000 -7.404 1.435) 7.542 6.359 ( 0.000 7.404 1.435) 7.542 6.698 ( 0.000 -2.541 -11.295) 11.578 6.698 ( 0.000 2.541 -11.295) 11.578 7.033 ( 0.000 -10.463 -0.446) 10.473 7.033 ( 0.000 10.463 -0.446) 10.473 7.184 ( 0.000 -1.681 2.180) 2.753 7.184 ( 0.000 1.681 2.180) 2.753 7.398 ( 0.000 -4.419 -0.929) 4.515 7.398 ( 0.000 4.419 -0.929) 4.515 7.690 ( 0.000 -5.201 0.639) 5.240 7.690 ( 0.000 5.201 0.639) 5.240 8.315 ( 0.000 -1.121 0.062) 1.122 8.315 ( 0.000 1.121 0.062) 1.122 8.474 ( 0.000 -4.098 1.876) 4.507 8.474 ( 0.000 4.098 1.876) 4.507 8.805 ( 0.000 -12.100 3.714) 12.657 8.805 ( 0.000 12.100 3.714) 12.657 9.111 ( 0.000 -3.545 2.774) 4.501 9.111 ( 0.000 3.545 2.774) 4.501 10.104 ( 0.000 -0.117 -9.845) 9.845 10.104 ( 0.000 0.117 -9.845) 9.845 10.297 ( 0.000 -6.978 -6.271) 9.382 10.297 ( 0.000 6.978 -6.271) 9.382 11.356 ( 0.000 -3.923 -2.665) 4.743 11.356 ( 0.000 3.923 -2.665) 4.743 11.533 ( 0.000 -7.957 -5.575) 9.715 11.533 ( 0.000 7.957 -5.575) 9.715 12.050 ( 0.000 -0.791 0.846) 1.158 12.050 ( 0.000 0.791 0.846) 1.158 12.385 ( 0.000 -6.575 3.064) 7.253 12.385 ( 0.000 6.575 3.063) 7.253 12.472 ( 0.000 -3.844 -2.657) 4.672 12.472 ( 0.000 3.844 -2.657) 4.672 13.398 ( 0.000 -0.642 3.865) 3.918 13.398 ( 0.000 0.642 3.865) 3.918 14.706 ( 0.000 -12.675 3.170) 13.066 14.706 ( 0.000 12.675 3.170) 13.066 15.179 ( 0.000 -11.033 6.465) 12.787 15.179 ( 0.000 11.033 6.465) 12.787 19.495 ( 0.000 -3.495 -0.706) 3.565 19.495 ( 0.000 3.495 -0.706) 3.565 19.684 ( 0.000 -15.399 -3.777) 15.856 19.684 ( 0.000 15.399 -3.777) 15.856 20.590 ( 0.000 -1.157 -6.226) 6.333 20.590 ( 0.000 1.157 -6.226) 6.333 21.124 ( 0.000 -1.651 -7.805) 7.978 21.124 ( 0.000 1.651 -7.805) 7.978 22.238 ( 0.000 -1.678 -0.257) 1.697 22.238 ( 0.000 1.678 -0.257) 1.697 22.799 ( 0.000 -2.805 -2.447) 3.722 22.799 ( 0.000 2.805 -2.447) 3.722 23.507 ( 0.000 -1.470 13.795) 13.873 23.507 ( 0.000 1.470 13.795) 13.873 23.927 ( 0.000 -8.551 3.621) 9.286 23.927 ( 0.000 8.551 3.621) 9.286 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 6.577 -5.161 5.703) 10.120 2.264 ( 6.577 5.161 5.703) 10.120 2.429 ( 3.611 -5.860 6.960) 9.788 2.429 ( 3.611 5.860 6.960) 9.789 2.701 ( -5.260 -11.583 5.698) 13.939 2.701 ( -5.260 11.583 5.698) 13.939 2.806 ( -13.890 -5.165 3.610) 15.253 2.806 ( -13.890 5.165 3.610) 15.253 3.537 ( 4.420 -6.310 4.057) 8.707 3.537 ( 4.420 6.310 4.057) 8.707 3.578 ( 3.468 -4.646 -2.380) 6.267 3.578 ( 3.468 4.646 -2.380) 6.267 4.046 ( 3.031 -2.597 -5.741) 6.993 4.046 ( 3.031 2.597 -5.741) 6.993 4.168 ( -2.218 -7.609 -1.796) 8.126 4.168 ( -2.218 7.609 -1.796) 8.126 4.237 ( 2.382 -3.144 0.287) 3.955 4.237 ( 2.382 3.145 0.287) 3.955 4.369 ( 1.025 -4.725 -4.947) 6.918 4.369 ( 1.025 4.725 -4.947) 6.918 4.923 ( -0.127 -8.071 4.374) 9.181 4.923 ( -0.127 8.071 4.374) 9.181 4.998 ( -2.871 -8.214 4.814) 9.944 4.998 ( -2.871 8.214 4.814) 9.944 5.837 ( 1.371 -6.427 -6.944) 9.561 5.837 ( 1.371 6.427 -6.944) 9.561 5.972 ( -3.015 -4.489 -7.480) 9.230 5.972 ( -3.015 4.489 -7.480) 9.230 6.438 ( 6.249 -6.847 -1.609) 9.408 6.438 ( 6.249 6.847 -1.609) 9.408 6.678 ( -2.044 -5.959 -8.758) 10.788 6.678 ( -2.044 5.959 -8.758) 10.788 7.052 ( 1.339 -9.578 -1.352) 9.765 7.052 ( 1.339 9.578 -1.352) 9.765 7.147 ( -2.864 -2.104 1.664) 3.924 7.147 ( -2.864 2.104 1.664) 3.924 7.423 ( 2.592 -4.340 -0.753) 5.111 7.423 ( 2.592 4.340 -0.753) 5.111 7.637 ( -4.481 -4.150 0.316) 6.115 7.637 ( -4.481 4.150 0.316) 6.115 8.325 ( 1.518 -3.946 0.901) 4.323 8.325 ( 1.518 3.946 0.901) 4.323 8.459 ( -1.916 -5.061 1.699) 5.672 8.459 ( -1.916 5.061 1.699) 5.672 8.856 ( 4.183 -10.090 3.001) 11.327 8.856 ( 4.183 10.090 3.001) 11.327 9.067 ( -3.658 -4.410 2.653) 6.314 9.067 ( -3.658 4.410 2.653) 6.314 10.137 ( 2.792 -4.776 -9.203) 10.738 10.137 ( 2.792 4.776 -9.203) 10.738 10.276 ( -1.917 -7.514 -6.761) 10.288 10.276 ( -1.917 7.514 -6.761) 10.288 11.366 ( 1.011 -3.892 -3.098) 5.076 11.366 ( 1.011 3.892 -3.098) 5.076 11.484 ( -3.569 -6.440 -4.893) 8.840 11.484 ( -3.569 6.440 -4.893) 8.840 12.106 ( 4.611 -0.966 -0.147) 4.713 12.106 ( 4.611 0.966 -0.147) 4.713 12.341 ( -3.791 -4.187 -0.423) 5.664 12.341 ( -3.791 4.187 -0.423) 5.664 12.604 ( 10.931 -4.666 1.786) 12.018 12.604 ( 10.931 4.666 1.786) 12.018 13.241 ( -12.636 -2.320 3.991) 13.453 13.241 ( -12.636 2.320 3.991) 13.453 14.802 ( 7.427 -12.524 3.724) 15.030 14.802 ( 7.427 12.524 3.724) 15.030 15.125 ( -4.667 -11.405 6.046) 13.726 15.125 ( -4.667 11.405 6.046) 13.726 19.516 ( 1.832 -5.672 -1.130) 6.067 19.516 ( 1.832 5.672 -1.130) 6.067 19.647 ( -2.966 -13.508 -3.319) 14.223 19.647 ( -2.966 13.508 -3.319) 14.223 20.656 ( 5.625 -5.173 -5.460) 9.392 20.656 ( 5.625 5.173 -5.460) 9.392 21.022 ( -8.039 -7.139 -5.906) 12.267 21.022 ( -8.039 7.139 -5.906) 12.267 22.333 ( 7.597 -2.437 -2.435) 8.341 22.333 ( 7.597 2.437 -2.435) 8.341 22.715 ( -6.781 -2.704 -3.090) 7.927 22.715 ( -6.781 2.704 -3.090) 7.927 23.598 ( 7.039 -3.322 12.137) 14.418 23.598 ( 7.039 3.322 12.137) 14.418 23.887 ( -3.613 -7.644 5.132) 9.890 23.887 ( -3.613 7.644 5.132) 9.890 ======================= Grid point 114 (45/90) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -11.522 -8.777 4.900) 15.290 2.481 ( 11.080 -8.634 4.900) 14.877 2.481 ( -11.080 8.634 4.900) 14.877 2.481 ( 11.522 8.777 4.900) 15.290 2.561 ( -5.749 -12.297 5.530) 14.657 2.561 ( 5.676 -12.288 5.530) 14.622 2.561 ( -5.676 12.288 5.530) 14.622 2.561 ( 5.749 12.297 5.530) 14.657 3.608 ( -0.745 -10.282 0.076) 10.309 3.608 ( 0.622 -10.279 0.076) 10.299 3.608 ( -0.622 10.279 0.076) 10.299 3.608 ( 0.745 10.282 0.076) 10.309 4.111 ( -2.552 -7.755 -3.820) 9.013 4.111 ( 2.455 -7.747 -3.820) 8.979 4.111 ( -2.455 7.747 -3.820) 8.979 4.111 ( 2.552 7.755 -3.820) 9.013 4.330 ( -4.063 -2.182 -2.229) 5.122 4.330 ( -0.850 -0.904 -2.229) 2.551 4.330 ( 0.850 0.904 -2.229) 2.551 4.330 ( 4.063 2.182 -2.229) 5.122 4.939 ( -1.842 -8.437 5.672) 10.332 4.939 ( 1.835 -8.436 5.672) 10.330 4.939 ( -1.834 8.436 5.672) 10.330 4.939 ( 1.842 8.437 5.672) 10.332 5.894 ( -3.202 -7.690 -6.647) 10.657 5.894 ( 2.824 -7.653 -6.647) 10.523 5.894 ( -2.824 7.653 -6.647) 10.523 5.894 ( 3.202 7.690 -6.647) 10.657 6.588 ( -5.979 -7.418 -5.378) 10.941 6.588 ( 5.550 -7.335 -5.378) 10.655 6.588 ( -5.550 7.335 -5.378) 10.655 6.588 ( 5.979 7.418 -5.378) 10.941 7.088 ( -2.054 -6.837 -0.346) 7.148 7.088 ( 2.051 -6.837 -0.346) 7.147 7.088 ( -2.051 6.837 -0.346) 7.147 7.088 ( 2.054 6.837 -0.346) 7.148 7.517 ( -5.174 -4.588 -0.246) 6.920 7.517 ( 2.609 -4.007 -0.246) 4.788 7.517 ( -2.609 4.007 -0.246) 4.788 7.517 ( 5.174 4.588 -0.246) 6.920 8.389 ( -3.577 -6.285 1.525) 7.391 8.389 ( 3.251 -6.241 1.525) 7.200 8.389 ( -3.251 6.241 1.525) 7.200 8.389 ( 3.577 6.285 1.525) 7.391 8.965 ( -5.088 -6.750 2.485) 8.811 8.965 ( 5.067 -6.747 2.485) 8.796 8.965 ( -5.067 6.747 2.485) 8.796 8.965 ( 5.088 6.750 2.485) 8.811 10.213 ( -2.063 -14.700 -7.907) 16.819 10.213 ( 1.426 -14.681 -7.907) 16.736 10.213 ( -1.426 14.681 -7.907) 16.736 10.213 ( 2.063 14.700 -7.907) 16.819 11.408 ( -2.790 -4.555 -3.961) 6.650 11.408 ( 2.762 -4.551 -3.961) 6.635 11.408 ( -2.762 4.551 -3.961) 6.635 11.408 ( 2.790 4.555 -3.961) 6.650 12.229 ( -2.803 -9.792 -0.984) 10.232 12.229 ( -0.235 -9.692 -0.984) 9.744 12.229 ( 0.235 9.692 -0.984) 9.744 12.229 ( 2.803 9.792 -0.984) 10.232 12.911 ( -15.270 -4.047 3.723) 16.230 12.911 ( -13.892 2.517 3.723) 14.601 12.911 ( 13.892 -2.517 3.723) 14.601 12.911 ( 15.270 4.047 3.723) 16.230 14.982 ( -6.950 -14.515 4.949) 16.837 14.982 ( 5.510 -14.360 4.949) 16.157 14.982 ( -5.510 14.360 4.949) 16.157 14.982 ( 6.950 14.515 4.949) 16.837 19.573 ( -3.186 -9.676 -2.198) 10.422 19.573 ( 3.168 -9.675 -2.198) 10.415 19.573 ( -3.168 9.675 -2.198) 10.415 19.573 ( 3.186 9.676 -2.198) 10.422 20.822 ( -7.642 -10.729 -4.615) 13.957 20.822 ( 3.976 -10.220 -4.615) 11.898 20.822 ( -3.976 10.220 -4.615) 11.898 20.822 ( 7.642 10.729 -4.615) 13.957 22.530 ( -9.200 -2.839 -3.965) 10.412 22.530 ( -9.086 2.747 -3.965) 10.287 22.530 ( 9.086 -2.747 -3.965) 10.287 22.530 ( 9.200 2.839 -3.965) 10.412 23.766 ( -6.201 -7.290 8.610) 12.873 23.766 ( 2.723 -6.736 8.610) 11.266 23.766 ( -2.723 6.737 8.610) 11.266 23.766 ( 6.201 7.290 8.610) 12.873 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.000 0.000 23.715) 23.715 1.637 ( 0.000 0.000 25.595) 25.595 2.085 ( 0.000 0.000 6.829) 6.829 2.271 ( 0.000 0.000 -2.335) 2.335 2.423 ( 0.000 0.000 12.867) 12.867 2.656 ( 0.000 0.000 19.784) 19.784 2.702 ( 0.000 0.000 -8.742) 8.742 2.722 ( 0.000 0.000 -6.555) 6.555 3.110 ( 0.000 0.000 -12.093) 12.093 3.158 ( 0.000 0.000 0.054) 0.054 3.167 ( 0.000 0.000 0.167) 0.167 3.314 ( 0.000 0.000 -8.564) 8.564 3.603 ( 0.000 0.000 1.166) 1.166 3.677 ( 0.000 0.000 0.694) 0.694 4.098 ( 0.000 0.000 2.614) 2.614 4.217 ( 0.000 0.000 -4.831) 4.831 4.490 ( 0.000 0.000 -8.368) 8.368 4.664 ( 0.000 0.000 -3.909) 3.909 4.688 ( 0.000 0.000 0.764) 0.764 4.734 ( 0.000 0.000 -1.106) 1.106 4.917 ( 0.000 0.000 -2.651) 2.651 4.981 ( 0.000 0.000 -10.434) 10.434 5.004 ( 0.000 0.000 2.924) 2.924 5.124 ( 0.000 0.000 13.151) 13.151 5.130 ( 0.000 0.000 -4.626) 4.626 5.497 ( 0.000 0.000 3.945) 3.945 5.957 ( 0.000 0.000 5.996) 5.996 6.151 ( 0.000 0.000 7.197) 7.197 6.210 ( 0.000 0.000 -11.838) 11.838 6.220 ( 0.000 0.000 9.200) 9.200 6.321 ( 0.000 0.000 -2.373) 2.373 6.492 ( 0.000 0.000 0.589) 0.589 6.499 ( 0.000 0.000 6.706) 6.706 6.876 ( 0.000 0.000 -8.531) 8.531 7.161 ( 0.000 0.000 -7.087) 7.087 7.191 ( 0.000 0.000 -9.901) 9.901 7.281 ( 0.000 0.000 -9.961) 9.961 7.520 ( 0.000 0.000 -11.322) 11.322 8.139 ( 0.000 0.000 11.077) 11.077 8.390 ( 0.000 0.000 5.065) 5.065 8.481 ( 0.000 0.000 -4.699) 4.699 8.586 ( 0.000 0.000 3.676) 3.676 8.668 ( 0.000 0.000 -5.457) 5.457 8.690 ( 0.000 0.000 1.442) 1.442 8.991 ( 0.000 0.000 8.721) 8.721 8.991 ( 0.000 0.000 -0.859) 0.859 9.073 ( 0.000 0.000 0.017) 0.017 9.117 ( 0.000 0.000 -0.928) 0.928 9.232 ( 0.000 0.000 -6.838) 6.838 9.336 ( 0.000 0.000 -2.641) 2.641 10.577 ( 0.000 0.000 -6.020) 6.020 10.679 ( 0.000 0.000 -8.741) 8.741 11.074 ( 0.000 0.000 -0.886) 0.886 11.096 ( 0.000 0.000 -1.807) 1.807 11.624 ( 0.000 0.000 -0.851) 0.851 11.737 ( 0.000 0.000 -5.973) 5.973 11.797 ( 0.000 0.000 -2.483) 2.483 11.881 ( 0.000 0.000 7.545) 7.545 12.156 ( 0.000 0.000 -4.505) 4.505 12.343 ( 0.000 0.000 -3.222) 3.222 12.343 ( 0.000 0.000 5.003) 5.003 12.731 ( 0.000 0.000 -3.563) 3.563 13.127 ( 0.000 0.000 11.591) 11.591 13.437 ( 0.000 0.000 3.006) 3.006 14.389 ( 0.000 0.000 14.331) 14.331 15.250 ( 0.000 0.000 -5.532) 5.532 15.848 ( 0.000 0.000 -0.378) 0.378 16.080 ( 0.000 0.000 -5.421) 5.421 18.711 ( 0.000 0.000 0.105) 0.105 18.729 ( 0.000 0.000 -0.257) 0.257 18.743 ( 0.000 0.000 0.000) 0.000 18.750 ( 0.000 0.000 -0.080) 0.080 20.600 ( 0.000 0.000 1.346) 1.346 20.707 ( 0.000 0.000 -0.504) 0.504 21.167 ( 0.000 0.000 -1.850) 1.850 21.339 ( 0.000 0.000 -3.249) 3.249 22.176 ( 0.000 0.000 0.735) 0.735 22.269 ( 0.000 0.000 -1.639) 1.639 22.698 ( 0.000 0.000 -0.827) 0.827 22.874 ( 0.000 0.000 -5.801) 5.801 23.727 ( 0.000 0.000 11.805) 11.805 23.865 ( 0.000 0.000 8.082) 8.082 24.052 ( 0.000 0.000 1.357) 1.357 24.667 ( 0.000 0.000 -11.682) 11.682 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 7.482 0.000 20.587) 21.904 1.801 ( 12.626 0.000 21.845) 25.231 2.001 ( -6.775 0.000 9.110) 11.353 2.322 ( 4.010 0.000 -3.169) 5.111 2.342 ( -7.714 0.000 12.737) 14.891 2.570 ( -6.380 0.000 -6.007) 8.763 2.711 ( 4.710 0.000 10.418) 11.434 2.843 ( 5.581 0.000 -9.239) 10.794 2.985 ( -6.752 0.000 -7.222) 9.886 3.066 ( -3.653 0.000 -11.571) 12.134 3.206 ( 0.366 0.000 1.941) 1.976 3.427 ( 6.159 0.000 4.800) 7.809 3.680 ( 2.102 0.000 1.581) 2.630 3.744 ( 7.819 0.000 -1.845) 8.033 4.154 ( 4.836 0.000 1.062) 4.952 4.273 ( 4.488 0.000 -2.367) 5.074 4.438 ( -4.269 0.000 -8.595) 9.597 4.584 ( -7.213 0.000 1.086) 7.294 4.674 ( -4.444 0.000 2.028) 4.885 4.692 ( 2.530 0.000 -5.611) 6.155 4.883 ( -13.549 0.000 20.929) 24.932 4.965 ( -6.684 0.000 -1.162) 6.785 4.974 ( 3.105 0.000 -4.856) 5.764 5.000 ( 1.234 0.000 -9.891) 9.968 5.162 ( 2.977 0.000 -3.254) 4.411 5.411 ( -6.091 0.000 -0.541) 6.115 5.992 ( 3.245 0.000 6.568) 7.326 6.127 ( 1.804 0.000 -2.223) 2.863 6.199 ( -2.579 0.000 9.008) 9.370 6.256 ( -1.728 0.000 -0.885) 1.942 6.451 ( -1.859 0.000 2.397) 3.033 6.487 ( -1.383 0.000 5.575) 5.744 6.501 ( 13.874 0.000 -4.247) 14.510 6.872 ( -1.316 0.000 -8.587) 8.687 7.169 ( 0.522 0.000 -7.855) 7.872 7.188 ( -0.230 0.000 -9.553) 9.556 7.312 ( 2.639 0.000 -9.186) 9.558 7.483 ( -3.326 0.000 -9.816) 10.364 8.223 ( 6.912 0.000 10.202) 12.322 8.397 ( -2.683 0.000 -0.965) 2.852 8.411 ( 1.005 0.000 2.751) 2.929 8.572 ( 0.421 0.000 3.184) 3.212 8.600 ( -7.099 0.000 4.628) 8.474 8.706 ( -1.325 0.000 -3.388) 3.638 9.029 ( 2.693 0.000 4.206) 4.995 9.063 ( 4.707 0.000 -3.710) 5.993 9.109 ( 2.494 0.000 -2.646) 3.637 9.126 ( -0.045 0.000 1.522) 1.523 9.231 ( 0.571 0.000 -6.972) 6.995 9.318 ( -1.575 0.000 -2.866) 3.270 10.589 ( 1.033 0.000 -6.307) 6.391 10.660 ( -1.516 0.000 -8.189) 8.328 11.113 ( 3.179 0.000 -0.579) 3.231 11.146 ( 3.703 0.000 -2.326) 4.373 11.555 ( -4.142 0.000 -0.786) 4.216 11.639 ( -4.604 0.000 -8.025) 9.252 11.925 ( 3.764 0.000 6.698) 7.683 11.946 ( 7.673 0.000 -2.998) 8.238 12.151 ( -0.902 0.000 -4.737) 4.822 12.185 ( -6.979 0.000 2.769) 7.508 12.492 ( 6.287 0.000 -0.785) 6.336 12.701 ( -2.614 0.000 -3.200) 4.131 13.141 ( 1.723 0.000 10.835) 10.971 13.364 ( -5.858 0.000 4.432) 7.346 14.475 ( 7.420 0.000 13.755) 15.628 15.043 ( -14.970 0.000 3.294) 15.328 15.918 ( 4.496 0.000 -4.481) 6.348 16.064 ( -1.535 0.000 -5.774) 5.974 18.713 ( 0.218 0.000 0.032) 0.221 18.726 ( -0.207 0.000 -0.250) 0.325 18.743 ( 0.064 0.000 0.039) 0.074 18.749 ( -0.068 0.000 -0.053) 0.086 20.621 ( 2.857 0.000 2.135) 3.567 20.777 ( 2.272 0.000 0.946) 2.461 21.112 ( -0.595 0.000 -3.023) 3.081 21.342 ( -2.385 0.000 -5.804) 6.275 22.211 ( 4.307 0.000 0.392) 4.325 22.349 ( 5.635 0.000 -4.023) 6.923 22.613 ( -6.578 0.000 -0.538) 6.600 22.775 ( -7.853 0.000 -5.445) 9.556 23.700 ( -0.227 0.000 11.130) 11.133 23.798 ( -2.997 0.000 8.677) 9.180 24.270 ( 12.954 0.000 -1.022) 12.994 24.643 ( -2.715 0.000 -9.474) 9.856 ======================= Grid point 137 (48/90) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -9.657 0.000 14.362) 17.307 1.811 ( 9.657 0.000 14.362) 17.307 2.102 ( -12.974 0.000 16.587) 21.059 2.102 ( 12.974 0.000 16.587) 21.059 2.433 ( -5.723 0.000 -4.466) 7.259 2.433 ( 5.723 0.000 -4.466) 7.259 2.833 ( -6.251 0.000 -6.280) 8.860 2.833 ( 6.251 0.000 -6.280) 8.860 2.964 ( -5.180 0.000 -10.578) 11.778 2.964 ( 5.180 0.000 -10.578) 11.778 3.354 ( -9.456 0.000 6.720) 11.601 3.354 ( 9.456 0.000 6.720) 11.601 3.805 ( -4.121 0.000 1.549) 4.403 3.805 ( 4.121 0.000 1.549) 4.403 4.288 ( -6.076 0.000 -0.858) 6.136 4.288 ( 6.076 0.000 -0.858) 6.136 4.424 ( -6.216 0.000 -3.236) 7.007 4.424 ( 6.216 0.000 -3.236) 7.007 4.627 ( -3.260 0.000 12.037) 12.471 4.627 ( 3.260 0.000 12.037) 12.471 4.816 ( -6.234 0.000 -2.130) 6.588 4.816 ( 6.234 0.000 -2.130) 6.588 5.014 ( -0.381 0.000 -7.995) 8.004 5.014 ( 0.381 0.000 -7.995) 8.004 5.268 ( -6.075 0.000 -2.597) 6.607 5.268 ( 6.075 0.000 -2.597) 6.607 6.097 ( -5.623 0.000 7.683) 9.521 6.097 ( 5.623 0.000 7.683) 9.521 6.194 ( -3.401 0.000 -1.467) 3.704 6.194 ( 3.401 0.000 -1.467) 3.704 6.450 ( -1.467 0.000 4.578) 4.808 6.450 ( 1.467 0.000 4.578) 4.808 6.767 ( -8.670 0.000 -6.878) 11.067 6.767 ( 8.670 0.000 -6.878) 11.067 7.180 ( -0.472 0.000 -8.875) 8.887 7.180 ( 0.472 0.000 -8.875) 8.887 7.391 ( -4.265 0.000 -8.230) 9.270 7.391 ( 4.265 0.000 -8.230) 9.270 8.400 ( -1.630 0.000 1.148) 1.994 8.400 ( 1.630 0.000 1.148) 1.994 8.411 ( -9.184 0.000 7.993) 12.175 8.411 ( 9.184 0.000 7.993) 12.175 8.629 ( -4.206 0.000 0.086) 4.206 8.629 ( 4.206 0.000 0.086) 4.206 9.092 ( -2.611 0.000 1.429) 2.977 9.092 ( 2.611 0.000 1.429) 2.977 9.132 ( -1.145 0.000 -4.497) 4.640 9.132 ( 1.145 0.000 -4.497) 4.640 9.271 ( -2.438 0.000 -4.115) 4.783 9.271 ( 2.438 0.000 -4.115) 4.783 10.621 ( -1.756 0.000 -7.121) 7.334 10.621 ( 1.756 0.000 -7.121) 7.334 11.182 ( -1.675 0.000 -0.708) 1.818 11.182 ( 1.675 0.000 -0.708) 1.818 11.539 ( -3.271 0.000 -6.288) 7.088 11.539 ( 3.271 0.000 -6.288) 7.088 12.038 ( -6.060 0.000 4.812) 7.738 12.038 ( 6.060 0.000 4.812) 7.738 12.090 ( -4.789 0.000 -4.247) 6.401 12.090 ( 4.789 0.000 -4.247) 6.401 12.618 ( -4.800 0.000 -2.205) 5.282 12.618 ( 4.800 0.000 -2.205) 5.282 13.223 ( -5.646 0.000 7.903) 9.712 13.223 ( 5.646 0.000 7.903) 9.712 14.710 ( -13.414 0.000 11.175) 17.459 14.710 ( 13.414 0.000 11.175) 17.459 16.008 ( -3.384 0.000 -6.174) 7.040 16.008 ( 3.384 0.000 -6.174) 7.040 18.720 ( -0.330 0.000 -0.128) 0.354 18.720 ( 0.330 0.000 -0.128) 0.354 18.746 ( -0.157 0.000 0.011) 0.158 18.746 ( 0.157 0.000 0.011) 0.158 20.721 ( -5.270 0.000 3.156) 6.143 20.721 ( 5.270 0.000 3.156) 6.143 21.217 ( -7.471 0.000 -6.285) 9.763 21.217 ( 7.471 0.000 -6.285) 9.763 22.358 ( -7.172 0.000 -2.400) 7.563 22.358 ( 7.172 0.000 -2.400) 7.563 22.586 ( -7.301 0.000 -3.667) 8.170 22.586 ( 7.301 0.000 -3.667) 8.170 23.735 ( -2.629 0.000 9.750) 10.099 23.735 ( 2.629 0.000 9.750) 10.099 24.520 ( -8.591 0.000 -5.141) 10.012 24.520 ( 8.591 0.000 -5.141) 10.012 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 11.750 21.882) 24.837 1.698 ( 0.000 6.205 23.096) 23.915 2.260 ( 0.000 15.569 5.879) 16.642 2.411 ( 0.000 12.432 -0.358) 12.437 2.444 ( 0.000 2.798 11.915) 12.240 2.698 ( 0.000 5.112 12.992) 13.962 2.831 ( 0.000 12.108 -7.517) 14.252 2.879 ( 0.000 13.018 -2.534) 13.262 3.121 ( 0.000 -2.484 1.354) 2.829 3.136 ( 0.000 -3.158 1.079) 3.337 3.198 ( 0.000 6.569 -11.412) 13.168 3.323 ( 0.000 2.801 -9.117) 9.538 3.571 ( 0.000 -2.208 1.708) 2.791 3.642 ( 0.000 -3.078 0.843) 3.192 4.090 ( 0.000 -1.157 2.961) 3.179 4.239 ( 0.000 0.868 -5.785) 5.850 4.386 ( 0.000 -8.456 -6.942) 10.941 4.693 ( 0.000 1.352 -4.010) 4.231 4.699 ( 0.000 -0.161 -0.037) 0.165 4.757 ( 0.000 1.651 -0.407) 1.700 4.887 ( 0.000 -5.003 -2.841) 5.753 4.915 ( 0.000 -0.744 3.357) 3.439 4.990 ( 0.000 -0.977 2.686) 2.858 5.124 ( 0.000 1.359 5.241) 5.414 5.206 ( 0.000 4.807 -10.019) 11.112 5.484 ( 0.000 -1.122 2.608) 2.839 5.870 ( 0.000 -5.240 1.500) 5.450 6.140 ( 0.000 -4.056 -6.096) 7.322 6.172 ( 0.000 -1.041 4.647) 4.763 6.332 ( 0.000 7.496 2.676) 7.959 6.417 ( 0.000 8.879 1.217) 8.962 6.524 ( 0.000 1.797 0.698) 1.928 6.548 ( 0.000 5.160 5.911) 7.846 6.850 ( 0.000 -0.890 -7.912) 7.962 7.144 ( 0.000 -2.341 -9.871) 10.145 7.212 ( 0.000 3.396 -8.823) 9.454 7.363 ( 0.000 5.370 -8.318) 9.901 7.457 ( 0.000 -4.273 -6.510) 7.787 8.164 ( 0.000 0.951 8.610) 8.662 8.267 ( 0.000 -11.012 5.151) 12.157 8.424 ( 0.000 -4.861 -2.174) 5.325 8.518 ( 0.000 -4.796 2.561) 5.437 8.594 ( 0.000 -6.983 -4.232) 8.165 8.754 ( 0.000 5.238 0.701) 5.285 8.817 ( 0.000 -7.895 2.654) 8.329 8.879 ( 0.000 -8.908 0.681) 8.934 9.147 ( 0.000 4.659 3.164) 5.632 9.255 ( 0.000 0.486 -7.821) 7.836 9.328 ( 0.000 9.493 -7.153) 11.886 9.398 ( 0.000 9.114 3.581) 9.793 10.595 ( 0.000 1.062 -7.054) 7.133 10.600 ( 0.000 -7.100 -8.028) 10.717 11.106 ( 0.000 3.031 -1.128) 3.234 11.121 ( 0.000 2.092 -1.904) 2.828 11.672 ( 0.000 2.997 -5.513) 6.275 11.726 ( 0.000 -0.789 -5.585) 5.641 11.791 ( 0.000 0.774 1.856) 2.011 11.834 ( 0.000 -6.499 5.019) 8.211 12.105 ( 0.000 1.603 0.218) 1.618 12.345 ( 0.000 0.198 -3.119) 3.125 12.513 ( 0.000 11.081 0.354) 11.086 12.710 ( 0.000 -2.163 -3.440) 4.064 13.128 ( 0.000 0.627 11.351) 11.369 13.441 ( 0.000 0.535 3.539) 3.579 14.414 ( 0.000 2.523 13.640) 13.871 15.213 ( 0.000 -3.646 -4.834) 6.055 15.670 ( 0.000 -14.826 4.571) 15.514 15.981 ( 0.000 -9.303 -4.566) 10.363 18.823 ( 0.000 7.880 -0.056) 7.880 18.832 ( 0.000 8.790 -0.226) 8.793 18.837 ( 0.000 11.717 -0.458) 11.726 19.006 ( 0.000 23.032 -7.431) 24.201 20.563 ( 0.000 -3.558 1.391) 3.820 20.680 ( 0.000 -2.603 -0.680) 2.691 21.156 ( 0.000 -1.140 -2.234) 2.508 21.305 ( 0.000 -3.476 -3.102) 4.659 22.180 ( 0.000 0.410 0.745) 0.850 22.269 ( 0.000 -0.057 -1.534) 1.535 22.698 ( 0.000 0.033 -0.925) 0.926 22.861 ( 0.000 -1.225 -5.646) 5.778 23.726 ( 0.000 -0.051 11.602) 11.602 23.861 ( 0.000 -0.313 7.866) 7.872 24.008 ( 0.000 -4.114 3.109) 5.157 24.568 ( 0.000 -9.003 -8.694) 12.515 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 7.919 11.506 19.438) 23.936 1.847 ( 11.411 4.769 19.518) 23.107 2.166 ( -7.443 14.199 8.119) 17.970 2.359 ( -7.397 2.937 11.401) 13.903 2.464 ( 3.569 12.468 -0.159) 12.970 2.669 ( -3.534 8.934 -1.592) 9.738 2.772 ( -0.804 4.970 2.185) 5.488 2.951 ( -1.319 6.395 -7.282) 9.781 2.997 ( 0.024 5.641 -7.557) 9.431 3.177 ( -3.583 7.897 -7.605) 11.534 3.190 ( 2.911 1.164 0.520) 3.178 3.410 ( 5.460 -1.246 6.030) 8.229 3.610 ( 1.090 -6.164 0.630) 6.291 3.695 ( 5.514 -3.188 -1.788) 6.615 4.161 ( 5.780 -0.309 1.986) 6.119 4.310 ( 5.372 1.961 -4.304) 7.157 4.368 ( -1.862 -6.143 -7.087) 9.562 4.596 ( -7.710 0.480 2.434) 8.100 4.682 ( -2.250 -0.245 0.671) 2.361 4.705 ( -1.316 1.376 -3.646) 4.113 4.852 ( -7.866 -4.240 13.830) 16.466 4.878 ( -2.841 -2.348 1.765) 4.086 4.996 ( 0.297 0.037 -2.398) 2.417 5.027 ( -2.078 3.851 -5.184) 6.785 5.235 ( 2.174 5.147 -7.912) 9.686 5.414 ( -4.848 0.402 -1.084) 4.984 5.922 ( 3.897 -4.513 1.251) 6.093 6.074 ( -1.687 -3.980 -2.093) 4.803 6.282 ( 1.832 4.641 6.701) 8.355 6.391 ( 0.587 8.232 1.183) 8.338 6.430 ( 4.120 1.612 -1.492) 4.669 6.471 ( -2.208 1.231 1.891) 3.157 6.578 ( 3.313 4.644 3.424) 6.653 6.825 ( -2.402 -2.772 -7.064) 7.959 7.161 ( 1.383 -1.974 -9.132) 9.445 7.218 ( 0.078 2.525 -9.522) 9.852 7.377 ( 1.103 5.108 -7.987) 9.545 7.446 ( -1.230 -2.258 -6.705) 7.181 8.215 ( 4.440 -2.400 8.149) 9.585 8.287 ( 0.985 -10.737 3.985) 11.495 8.366 ( -2.296 -3.229 -1.244) 4.153 8.485 ( -2.208 -4.711 4.127) 6.641 8.620 ( -0.557 -5.593 -2.887) 6.318 8.679 ( -3.174 2.462 2.958) 4.989 8.869 ( 2.543 -7.422 0.190) 7.848 8.901 ( 0.646 -7.857 0.432) 7.895 9.179 ( 2.282 1.828 -0.646) 2.994 9.259 ( -0.038 -0.925 -7.059) 7.119 9.342 ( 1.289 11.316 -5.510) 12.652 9.393 ( -0.449 9.642 2.146) 9.888 10.603 ( 0.780 -0.066 -7.411) 7.452 10.615 ( 0.854 -3.875 -8.357) 9.252 11.137 ( 2.447 2.145 -0.990) 3.401 11.152 ( 2.459 0.740 -2.081) 3.305 11.580 ( -5.547 1.842 -1.242) 5.975 11.630 ( -4.400 -0.906 -7.680) 8.897 11.837 ( 2.090 -3.494 2.121) 4.590 11.905 ( 1.300 -7.059 1.659) 7.367 12.158 ( 5.940 8.742 -0.020) 10.569 12.380 ( 1.301 7.043 -2.531) 7.596 12.524 ( 1.330 5.208 -0.988) 5.465 12.674 ( -3.022 -2.749 -3.247) 5.219 13.133 ( 1.172 -0.567 10.919) 10.997 13.362 ( -6.351 -0.113 4.804) 7.964 14.498 ( 7.137 2.372 13.094) 15.100 15.018 ( -13.617 -2.245 3.965) 14.359 15.770 ( 6.137 -12.925 -1.467) 14.383 15.959 ( -2.054 -9.810 -4.684) 11.063 18.819 ( -0.195 8.403 -0.040) 8.405 18.823 ( -0.261 8.275 0.121) 8.280 18.862 ( 1.613 12.643 -1.137) 12.797 18.969 ( -2.727 20.423 -5.310) 21.277 20.591 ( 3.178 -2.867 2.027) 4.736 20.747 ( 2.429 -2.836 0.630) 3.787 21.092 ( -1.272 -2.051 -2.926) 3.793 21.308 ( -2.429 -3.411 -5.745) 7.109 22.218 ( 4.431 0.712 0.315) 4.499 22.347 ( 5.706 -0.148 -3.784) 6.848 22.612 ( -6.701 -0.021 -0.671) 6.735 22.763 ( -7.771 -1.147 -5.289) 9.470 23.706 ( 0.026 0.595 10.911) 10.928 23.796 ( -2.643 -0.093 8.562) 8.962 24.216 ( 12.029 -5.190 0.608) 13.115 24.550 ( -2.201 -8.595 -6.855) 11.212 ======================= Grid point 142 (51/90) ======================= q-point: (-0.50 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -10.388 12.711 13.491) 21.249 1.959 ( 10.388 12.711 13.491) 21.249 2.128 ( -12.469 2.828 14.936) 19.662 2.128 ( 12.469 2.828 14.936) 19.662 2.562 ( -4.988 12.091 -2.766) 13.368 2.562 ( 4.988 12.091 -2.766) 13.368 2.827 ( -5.064 -0.374 -7.131) 8.754 2.827 ( 5.064 -0.374 -7.131) 8.754 3.086 ( -4.267 11.196 -9.277) 15.153 3.086 ( 4.267 11.196 -9.277) 15.153 3.345 ( -8.226 -1.059 6.811) 10.732 3.345 ( 8.226 -1.059 6.811) 10.732 3.724 ( -4.281 -5.869 1.006) 7.334 3.724 ( 4.281 -5.869 1.006) 7.334 4.293 ( -4.809 -1.532 -2.188) 5.501 4.293 ( 4.809 -1.532 -2.188) 5.501 4.439 ( -5.979 1.386 -0.363) 6.148 4.439 ( 5.979 1.386 -0.363) 6.148 4.645 ( -2.353 1.370 8.597) 9.018 4.645 ( 2.353 1.370 8.597) 9.018 4.791 ( -4.206 -1.381 0.782) 4.496 4.791 ( 4.206 -1.381 0.782) 4.496 5.011 ( -1.022 0.354 -6.459) 6.549 5.011 ( 1.022 0.354 -6.459) 6.549 5.308 ( -4.255 3.425 -4.621) 7.155 5.308 ( 4.255 3.425 -4.621) 7.155 6.017 ( -3.907 -4.741 0.476) 6.162 6.017 ( 3.907 -4.741 0.476) 6.162 6.326 ( -3.077 8.610 4.136) 10.035 6.326 ( 3.077 8.610 4.136) 10.035 6.467 ( -0.631 1.965 1.995) 2.870 6.467 ( 0.631 1.965 1.995) 2.870 6.725 ( -6.810 -2.485 -4.552) 8.560 6.725 ( 6.810 -2.485 -4.552) 8.560 7.198 ( -1.694 -0.033 -8.863) 9.024 7.198 ( 1.694 -0.033 -8.863) 9.024 7.409 ( -1.715 2.438 -7.194) 7.787 7.409 ( 1.715 2.438 -7.194) 7.787 8.300 ( -0.623 -9.174 3.803) 9.950 8.300 ( 0.623 -9.174 3.803) 9.950 8.386 ( -5.290 -3.377 3.402) 7.139 8.386 ( 5.290 -3.377 3.402) 7.139 8.628 ( -1.989 0.772 0.917) 2.323 8.628 ( 1.989 0.772 0.917) 2.323 8.901 ( -0.495 -8.739 0.160) 8.755 8.901 ( 0.495 -8.739 0.160) 8.755 9.232 ( -2.221 -0.554 -4.958) 5.461 9.232 ( 2.221 -0.554 -4.958) 5.461 9.375 ( -1.259 10.753 -1.451) 10.923 9.375 ( 1.259 10.753 -1.451) 10.923 10.620 ( -0.474 -0.863 -8.110) 8.170 10.620 ( 0.474 -0.863 -8.110) 8.170 11.184 ( -0.758 0.196 -1.268) 1.490 11.184 ( 0.758 0.196 -1.268) 1.490 11.538 ( -2.326 -0.052 -5.221) 5.716 11.538 ( 2.326 -0.052 -5.221) 5.716 11.884 ( -1.971 -5.856 1.849) 6.450 11.884 ( 1.971 -5.856 1.849) 6.450 12.320 ( -6.509 13.576 -0.994) 15.088 12.320 ( 6.509 13.576 -0.994) 15.088 12.591 ( -4.014 -2.682 -2.814) 5.588 12.591 ( 4.014 -2.682 -2.814) 5.588 13.211 ( -5.887 -1.187 8.151) 10.124 13.211 ( 5.887 -1.187 8.151) 10.124 14.717 ( -12.214 0.924 10.808) 16.336 14.717 ( 12.214 0.924 10.808) 16.336 15.888 ( -4.268 -11.010 -4.426) 12.611 15.888 ( 4.268 -11.010 -4.426) 12.611 18.819 ( -0.125 8.176 0.122) 8.177 18.819 ( 0.125 8.176 0.122) 8.177 18.908 ( -2.487 15.950 -2.584) 16.348 18.908 ( 2.487 15.950 -2.584) 16.348 20.696 ( -5.300 -2.444 2.931) 6.531 20.696 ( 5.300 -2.444 2.931) 6.531 21.184 ( -7.215 -3.282 -6.186) 10.055 21.184 ( 7.215 -3.282 -6.186) 10.055 22.366 ( -7.089 0.767 -2.380) 7.517 22.366 ( 7.089 0.767 -2.380) 7.517 22.576 ( -7.196 -0.976 -3.568) 8.091 22.576 ( 7.196 -0.976 -3.568) 8.091 23.741 ( -2.402 0.616 9.565) 9.882 23.741 ( 2.402 0.616 9.565) 9.882 24.443 ( -7.667 -7.181 -3.184) 10.977 24.443 ( 7.667 -7.181 -3.184) 10.977 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.000 11.480 17.827) 21.204 1.915 ( 0.000 13.773 19.003) 23.470 2.497 ( 0.000 6.332 7.882) 10.111 2.650 ( 0.000 16.929 6.086) 17.990 2.678 ( 0.000 12.256 2.583) 12.525 2.803 ( 0.000 1.337 3.436) 3.687 2.999 ( 0.000 -5.976 -2.913) 6.648 3.046 ( 0.000 6.276 3.096) 6.998 3.131 ( 0.000 9.214 2.206) 9.474 3.242 ( 0.000 13.151 0.314) 13.154 3.263 ( 0.000 2.488 -8.917) 9.258 3.506 ( 0.000 11.648 -6.070) 13.135 3.576 ( 0.000 4.942 2.175) 5.399 3.611 ( 0.000 3.449 -3.534) 4.938 4.033 ( 0.000 -4.580 4.978) 6.765 4.210 ( 0.000 -3.820 -6.172) 7.259 4.214 ( 0.000 -7.888 -6.827) 10.432 4.620 ( 0.000 -7.669 2.176) 7.972 4.653 ( 0.000 -5.823 -1.985) 6.152 4.719 ( 0.000 -6.055 -0.213) 6.059 4.863 ( 0.000 2.166 3.627) 4.224 4.910 ( 0.000 0.695 10.708) 10.731 5.029 ( 0.000 3.952 0.796) 4.031 5.206 ( 0.000 5.715 -6.884) 8.947 5.307 ( 0.000 6.468 -12.244) 13.848 5.468 ( 0.000 0.667 0.427) 0.792 5.806 ( 0.000 -0.797 -4.432) 4.503 6.043 ( 0.000 -5.692 -6.895) 8.941 6.141 ( 0.000 -0.825 1.558) 1.763 6.470 ( 0.000 4.947 0.724) 5.000 6.505 ( 0.000 -3.297 -3.233) 4.618 6.555 ( 0.000 4.518 0.830) 4.594 6.716 ( 0.000 9.871 3.995) 10.649 6.914 ( 0.000 7.173 -3.843) 8.138 7.115 ( 0.000 -0.443 -6.600) 6.615 7.199 ( 0.000 -3.594 -5.827) 6.847 7.447 ( 0.000 2.324 -6.045) 6.477 7.459 ( 0.000 3.624 -3.577) 5.092 7.996 ( 0.000 -15.113 4.749) 15.842 8.063 ( 0.000 -11.655 2.318) 11.883 8.349 ( 0.000 -2.048 -0.610) 2.137 8.436 ( 0.000 -7.638 -2.377) 7.999 8.507 ( 0.000 4.912 4.952) 6.975 8.665 ( 0.000 -7.516 2.110) 7.807 8.725 ( 0.000 -6.694 -0.715) 6.732 8.884 ( 0.000 7.232 1.333) 7.354 9.195 ( 0.000 -5.063 -3.952) 6.423 9.204 ( 0.000 1.701 2.302) 2.862 9.541 ( 0.000 10.895 -7.538) 13.249 9.612 ( 0.000 11.102 0.774) 11.129 10.427 ( 0.000 -9.725 -7.236) 12.122 10.574 ( 0.000 -4.255 -8.516) 9.519 11.169 ( 0.000 2.716 -1.969) 3.355 11.186 ( 0.000 4.936 -2.028) 5.337 11.625 ( 0.000 -9.050 -0.055) 9.050 11.652 ( 0.000 -4.039 -7.945) 8.912 11.780 ( 0.000 2.798 -1.026) 2.980 11.894 ( 0.000 7.887 3.650) 8.690 12.198 ( 0.000 5.871 -0.114) 5.872 12.348 ( 0.000 -0.018 -3.088) 3.088 12.645 ( 0.000 -4.232 -1.901) 4.639 12.670 ( 0.000 3.024 0.566) 3.077 13.192 ( 0.000 6.602 8.049) 10.410 13.462 ( 0.000 1.448 4.321) 4.557 14.490 ( 0.000 5.073 11.641) 12.699 15.110 ( 0.000 -6.596 -2.821) 7.174 15.383 ( 0.000 -12.015 8.764) 14.872 15.744 ( 0.000 -13.588 -2.648) 13.843 19.038 ( 0.000 13.214 -0.301) 13.217 19.062 ( 0.000 13.449 -0.118) 13.449 19.127 ( 0.000 15.864 -1.393) 15.925 19.477 ( 0.000 20.687 -14.945) 25.521 20.475 ( 0.000 -4.536 1.012) 4.648 20.610 ( 0.000 -4.173 -1.262) 4.360 21.120 ( 0.000 -2.545 -3.266) 4.141 21.206 ( 0.000 -6.235 -2.793) 6.832 22.192 ( 0.000 0.828 0.678) 1.070 22.265 ( 0.000 -0.339 -1.228) 1.274 22.701 ( 0.000 0.373 -1.265) 1.318 22.828 ( 0.000 -2.071 -5.083) 5.489 23.725 ( 0.000 -0.076 11.256) 11.256 23.862 ( 0.000 0.717 7.016) 7.052 23.907 ( 0.000 -5.541 6.795) 8.768 24.356 ( 0.000 -11.260 -3.704) 11.853 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 8.546 9.983 15.992) 20.699 2.010 ( 7.381 11.779 15.818) 21.057 2.405 ( -7.455 7.811 7.138) 12.944 2.512 ( -10.106 12.104 9.127) 18.219 2.731 ( 2.306 6.230 0.392) 6.655 2.781 ( -0.457 4.522 -1.372) 4.748 2.931 ( -4.939 8.958 -2.943) 10.644 3.001 ( -6.803 2.552 -3.439) 8.039 3.112 ( 4.966 0.343 1.285) 5.141 3.287 ( 3.954 7.866 3.381) 9.430 3.412 ( -2.768 11.361 -3.736) 12.276 3.445 ( 5.418 7.606 0.801) 9.373 3.542 ( -1.232 5.262 -1.119) 5.519 3.678 ( 3.958 2.697 -3.818) 6.125 4.112 ( 5.560 -4.710 4.007) 8.316 4.235 ( 1.060 -6.434 -6.690) 9.342 4.298 ( 6.169 -3.118 -5.324) 8.725 4.544 ( -5.589 -6.040 2.537) 8.612 4.636 ( -1.356 -5.325 0.126) 5.496 4.685 ( -2.224 -5.063 -1.471) 5.723 4.805 ( -3.405 2.087 10.454) 11.191 4.881 ( -2.723 1.668 8.287) 8.881 5.047 ( 0.590 4.368 -0.846) 4.489 5.141 ( -3.823 6.838 -7.009) 10.512 5.338 ( 2.053 5.833 -10.663) 12.327 5.435 ( -2.184 2.631 -2.740) 4.382 5.856 ( 3.518 -1.841 -4.514) 6.012 5.986 ( -2.508 -4.842 -4.578) 7.120 6.269 ( 6.975 -2.553 -0.605) 7.452 6.461 ( -2.525 -2.144 -3.250) 4.640 6.499 ( 2.799 4.942 0.846) 5.742 6.612 ( 3.401 7.083 1.769) 8.054 6.691 ( -2.024 7.774 2.484) 8.408 6.852 ( -4.883 6.477 -1.518) 8.252 7.119 ( 0.853 -1.986 -6.799) 7.134 7.195 ( -0.849 -3.463 -5.927) 6.917 7.448 ( 0.658 2.061 -5.280) 5.706 7.476 ( 0.674 3.348 -5.240) 6.255 8.012 ( 1.371 -15.362 3.963) 15.924 8.060 ( -0.270 -13.206 2.174) 13.386 8.305 ( -1.798 -2.054 0.064) 2.730 8.411 ( -3.714 -4.229 0.412) 5.643 8.556 ( 4.136 1.109 2.301) 4.861 8.657 ( 0.232 -4.149 2.357) 4.778 8.744 ( 0.880 -6.130 -1.067) 6.284 8.867 ( -1.887 4.928 2.210) 5.721 9.185 ( -0.115 -2.725 -2.529) 3.719 9.209 ( -0.118 -1.721 -0.220) 1.739 9.560 ( 1.341 10.536 -6.318) 12.358 9.607 ( -0.487 11.065 -0.391) 11.083 10.471 ( 3.423 -9.234 -7.986) 12.679 10.574 ( -0.276 -5.063 -8.668) 10.042 11.180 ( 1.009 2.235 -2.069) 3.209 11.195 ( 0.572 3.691 -1.949) 4.213 11.563 ( -3.895 -4.862 -1.294) 6.363 11.585 ( -4.368 -3.375 -5.816) 8.019 11.815 ( 2.290 2.670 -0.548) 3.560 11.878 ( -0.898 4.476 2.071) 5.013 12.343 ( 10.545 8.470 -0.820) 13.550 12.407 ( 4.561 -1.906 -2.623) 5.596 12.590 ( -3.230 -4.312 -0.946) 5.470 12.698 ( -0.015 7.481 -1.885) 7.715 13.139 ( -2.870 1.991 9.757) 10.364 13.362 ( -7.925 0.150 5.190) 9.474 14.572 ( 6.738 5.191 11.147) 14.022 14.975 ( -9.250 -1.489 4.578) 10.428 15.487 ( 6.562 -14.241 2.125) 15.824 15.713 ( -2.803 -13.989 -2.497) 14.484 19.036 ( -0.101 13.134 -0.163) 13.136 19.047 ( -0.789 13.283 0.087) 13.306 19.172 ( 3.486 16.555 -2.581) 17.114 19.402 ( -5.605 19.867 -11.136) 23.455 20.520 ( 4.082 -3.577 1.340) 5.590 20.675 ( 3.066 -4.031 -0.395) 5.080 21.030 ( -3.145 -4.157 -2.631) 5.839 21.209 ( -2.749 -6.401 -5.610) 8.944 22.238 ( 4.765 1.308 0.053) 4.941 22.341 ( 5.848 -0.504 -3.113) 6.644 22.615 ( -6.963 0.317 -1.121) 7.060 22.732 ( -7.552 -1.893 -4.790) 9.141 23.725 ( 0.931 1.295 10.461) 10.582 23.801 ( -1.716 0.711 8.099) 8.309 24.086 ( 9.552 -7.172 4.085) 12.623 24.343 ( -1.590 -11.215 -2.177) 11.535 ======================= Grid point 147 (54/90) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -8.009 8.836 10.310) 15.764 2.204 ( 8.009 8.836 10.310) 15.764 2.235 ( -12.072 9.578 12.175) 19.639 2.235 ( 12.072 9.578 12.175) 19.639 2.779 ( -1.907 -0.873 -4.642) 5.094 2.779 ( 1.907 -0.873 -4.642) 5.094 2.877 ( -2.255 12.438 -2.939) 12.978 2.877 ( 2.255 12.438 -2.939) 12.978 3.253 ( -5.821 -1.930 4.338) 7.512 3.253 ( 5.821 -1.930 4.338) 7.512 3.411 ( -3.292 15.102 -1.800) 15.561 3.411 ( 3.292 15.102 -1.800) 15.561 3.677 ( -5.283 2.620 -1.634) 6.119 3.677 ( 5.283 2.620 -1.634) 6.119 4.214 ( -3.038 -5.728 -1.411) 6.635 4.214 ( 3.038 -5.728 -1.411) 6.635 4.429 ( -5.158 -2.895 -0.801) 5.969 4.429 ( 5.158 -2.895 -0.801) 5.969 4.630 ( -1.831 -4.431 1.727) 5.096 4.630 ( 1.831 -4.431 1.727) 5.096 4.801 ( -3.268 2.934 8.575) 9.634 4.801 ( 3.268 2.934 8.575) 9.634 5.071 ( -2.182 5.325 -4.158) 7.099 5.071 ( 2.182 5.325 -4.158) 7.099 5.387 ( -2.181 4.950 -7.239) 9.036 5.387 ( 2.181 4.950 -7.239) 9.036 5.931 ( -2.864 -3.899 -4.467) 6.585 5.931 ( 2.864 -3.899 -4.467) 6.585 6.388 ( -4.083 -1.473 -1.087) 4.474 6.388 ( 4.083 -1.473 -1.087) 4.474 6.593 ( -4.500 8.126 0.671) 9.313 6.593 ( 4.500 8.126 0.671) 9.313 6.732 ( -5.278 4.093 0.366) 6.689 6.732 ( 5.278 4.093 0.366) 6.689 7.157 ( -2.211 -2.993 -5.782) 6.876 7.157 ( 2.211 -2.993 -5.782) 6.876 7.472 ( -0.993 2.655 -5.656) 6.327 7.472 ( 0.993 2.655 -5.656) 6.327 8.045 ( -1.278 -15.539 2.361) 15.769 8.045 ( 1.278 -15.539 2.361) 15.769 8.319 ( -3.267 -2.358 1.305) 4.236 8.319 ( 3.267 -2.358 1.305) 4.236 8.637 ( -2.643 -2.174 0.554) 3.467 8.637 ( 2.643 -2.174 0.554) 3.467 8.797 ( -3.833 0.042 2.171) 4.405 8.797 ( 3.833 0.042 2.171) 4.405 9.196 ( -0.877 -2.693 -1.907) 3.415 9.196 ( 0.877 -2.693 -1.907) 3.415 9.589 ( -1.139 10.627 -3.217) 11.162 9.589 ( 1.139 10.627 -3.217) 11.162 10.545 ( -2.529 -7.297 -8.780) 11.693 10.545 ( 2.529 -7.297 -8.780) 11.693 11.200 ( -0.371 1.836 -2.001) 2.741 11.200 ( 0.371 1.836 -2.001) 2.741 11.518 ( -0.725 -2.572 -3.394) 4.320 11.518 ( 0.725 -2.572 -3.394) 4.320 11.856 ( -1.268 3.389 0.468) 3.648 11.856 ( 1.268 3.389 0.468) 3.648 12.504 ( -3.948 -5.249 -3.015) 7.227 12.504 ( 3.948 -5.249 -3.015) 7.227 12.594 ( -9.142 12.676 -0.561) 15.639 12.594 ( 9.142 12.676 -0.561) 15.639 13.177 ( -6.731 -2.315 8.302) 10.936 13.177 ( 6.731 -2.315 8.302) 10.936 14.759 ( -9.495 3.665 9.409) 13.861 14.759 ( 9.495 3.665 9.409) 13.861 15.622 ( -5.239 -14.727 -1.528) 15.706 15.622 ( 5.239 -14.727 -1.528) 15.706 19.036 ( -0.191 13.086 0.073) 13.087 19.036 ( 0.191 13.086 0.073) 13.087 19.273 ( -5.423 18.177 -5.770) 19.827 19.273 ( 5.423 18.177 -5.770) 19.827 20.637 ( -5.364 -2.851 2.067) 6.417 20.637 ( 5.364 -2.851 2.067) 6.417 21.087 ( -6.552 -6.502 -5.861) 10.934 21.087 ( 6.552 -6.502 -5.861) 10.934 22.389 ( -6.890 1.484 -2.356) 7.432 22.389 ( 6.890 1.484 -2.356) 7.432 22.549 ( -6.948 -1.714 -3.295) 7.879 22.549 ( 6.948 -1.714 -3.295) 7.879 23.763 ( -1.910 1.766 9.021) 9.389 23.763 ( 1.910 1.766 9.021) 9.389 24.264 ( -5.837 -10.075 0.861) 11.676 24.264 ( 5.837 -10.075 0.861) 11.676 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 13.362 12.437) 18.254 2.186 ( 0.000 13.365 14.997) 20.088 2.609 ( 0.000 0.768 5.504) 5.557 2.713 ( 0.000 -1.147 3.577) 3.756 2.740 ( 0.000 -8.901 5.818) 10.634 2.933 ( 0.000 2.321 -1.640) 2.842 2.943 ( 0.000 8.903 2.629) 9.283 3.093 ( 0.000 -7.051 1.589) 7.227 3.267 ( 0.000 12.634 0.304) 12.638 3.424 ( 0.000 7.754 -1.549) 7.907 3.439 ( 0.000 8.477 2.689) 8.893 3.646 ( 0.000 2.440 -1.614) 2.925 3.783 ( 0.000 11.106 -1.814) 11.253 3.834 ( 0.000 12.105 -5.013) 13.102 3.973 ( 0.000 1.802 2.292) 2.916 4.094 ( 0.000 -2.112 -4.638) 5.096 4.127 ( 0.000 -1.823 -2.977) 3.491 4.432 ( 0.000 -10.913 3.965) 11.611 4.493 ( 0.000 -9.642 -0.511) 9.656 4.529 ( 0.000 -12.258 -0.881) 12.290 4.937 ( 0.000 2.188 8.406) 8.686 4.956 ( 0.000 6.577 4.519) 7.980 5.057 ( 0.000 -1.372 1.486) 2.023 5.231 ( 0.000 -3.917 -1.633) 4.243 5.482 ( 0.000 9.981 -11.163) 14.975 5.576 ( 0.000 8.509 -8.416) 11.968 5.823 ( 0.000 1.465 -8.850) 8.970 5.920 ( 0.000 -6.268 -6.868) 9.298 6.183 ( 0.000 5.842 -1.095) 5.944 6.451 ( 0.000 -1.115 -9.562) 9.627 6.498 ( 0.000 -2.075 2.153) 2.990 6.599 ( 0.000 -0.806 -2.832) 2.945 6.871 ( 0.000 6.006 -0.526) 6.029 7.034 ( 0.000 1.692 -7.705) 7.888 7.165 ( 0.000 6.602 3.007) 7.254 7.180 ( 0.000 2.284 1.544) 2.757 7.420 ( 0.000 -5.694 -3.639) 6.757 7.485 ( 0.000 -2.919 -2.711) 3.984 7.746 ( 0.000 -7.412 3.272) 8.102 7.812 ( 0.000 -10.426 -0.535) 10.440 8.323 ( 0.000 -3.216 -1.068) 3.389 8.333 ( 0.000 -0.042 -0.801) 0.802 8.525 ( 0.000 -5.199 2.058) 5.592 8.599 ( 0.000 -5.933 0.127) 5.934 8.671 ( 0.000 9.861 5.489) 11.286 9.012 ( 0.000 1.130 -0.185) 1.145 9.089 ( 0.000 -1.570 2.103) 2.624 9.217 ( 0.000 -0.664 2.785) 2.863 9.753 ( 0.000 10.447 -7.757) 13.012 9.836 ( 0.000 11.293 -2.179) 11.501 10.228 ( 0.000 -9.739 -7.364) 12.210 10.411 ( 0.000 -11.556 -7.938) 14.019 11.232 ( 0.000 3.701 -1.860) 4.142 11.294 ( 0.000 5.383 -3.555) 6.451 11.463 ( 0.000 -6.606 0.693) 6.642 11.552 ( 0.000 -5.621 -5.862) 8.121 11.879 ( 0.000 6.523 -3.589) 7.445 12.026 ( 0.000 3.766 -0.611) 3.816 12.305 ( 0.000 4.544 -1.139) 4.685 12.350 ( 0.000 0.721 -3.260) 3.339 12.560 ( 0.000 -3.502 2.858) 4.520 12.641 ( 0.000 -4.545 4.920) 6.698 13.356 ( 0.000 8.142 3.609) 8.906 13.488 ( 0.000 0.787 4.269) 4.341 14.615 ( 0.000 7.473 8.417) 11.255 14.958 ( 0.000 -8.514 0.307) 8.519 15.233 ( 0.000 -2.678 7.478) 7.943 15.476 ( 0.000 -12.601 -0.025) 12.601 19.324 ( 0.000 14.836 -1.477) 14.910 19.325 ( 0.000 11.791 -0.218) 11.793 19.403 ( 0.000 10.282 -1.494) 10.390 19.718 ( 0.000 2.086 -11.651) 11.836 20.433 ( 0.000 1.191 -2.613) 2.872 20.531 ( 0.000 -3.321 -2.558) 4.192 21.058 ( 0.000 -3.385 -4.348) 5.510 21.077 ( 0.000 -5.867 -2.842) 6.519 22.212 ( 0.000 1.121 0.377) 1.183 22.254 ( 0.000 -0.788 -0.745) 1.084 22.715 ( 0.000 1.035 -1.926) 2.187 22.784 ( 0.000 -2.236 -4.079) 4.652 23.726 ( 0.000 0.374 11.051) 11.058 23.807 ( 0.000 -4.141 9.585) 10.441 23.899 ( 0.000 3.196 5.352) 6.233 24.148 ( 0.000 -9.317 0.108) 9.317 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.25 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 5.097 11.083 9.788) 15.640 2.254 ( 5.882 12.327 12.809) 18.725 2.561 ( -5.076 6.758 4.419) 9.538 2.635 ( -3.786 -3.846 0.732) 5.446 2.716 ( -7.478 3.560 6.448) 10.496 2.835 ( -2.189 -8.176 1.608) 8.615 2.890 ( -6.360 -0.317 1.076) 6.459 3.003 ( -4.469 -7.787 -1.970) 9.192 3.305 ( 3.471 15.356 1.688) 15.834 3.405 ( -0.099 9.749 7.281) 12.169 3.599 ( 9.109 6.000 -1.470) 11.007 3.661 ( 1.707 6.477 -0.004) 6.698 3.789 ( -2.422 13.473 -2.578) 13.930 3.822 ( 1.658 11.448 -5.905) 12.988 4.028 ( 3.816 -1.602 4.939) 6.444 4.136 ( 1.822 -1.435 -3.626) 4.305 4.212 ( 6.194 -4.608 -5.766) 9.635 4.386 ( -3.034 -9.193 2.121) 9.911 4.481 ( -0.655 -9.822 0.644) 9.865 4.517 ( -1.396 -10.740 -1.054) 10.882 4.899 ( -1.644 5.871 8.227) 10.240 4.948 ( -1.541 5.220 6.026) 8.120 5.081 ( 1.577 -1.572 1.299) 2.578 5.193 ( -2.992 -2.737 -0.825) 4.138 5.499 ( 1.534 9.921 -10.444) 14.486 5.572 ( -0.574 9.890 -9.180) 13.506 5.839 ( 0.983 -0.588 -8.708) 8.783 5.880 ( -2.171 -5.754 -6.684) 9.083 6.266 ( 5.692 3.057 -2.507) 6.930 6.428 ( -1.364 0.106 -7.354) 7.481 6.530 ( 2.925 -2.042 0.391) 3.588 6.652 ( 2.920 -2.566 -3.612) 5.307 6.856 ( -0.916 7.777 -0.524) 7.848 7.031 ( -2.954 8.536 -1.813) 9.213 7.093 ( -2.054 0.587 -0.535) 2.202 7.174 ( -1.008 1.835 1.523) 2.589 7.446 ( 1.981 -3.461 -2.923) 4.944 7.491 ( 0.523 -2.447 -3.799) 4.549 7.732 ( -1.191 -10.330 2.666) 10.734 7.778 ( -2.654 -12.780 -0.544) 13.064 8.289 ( -0.491 0.574 0.278) 0.805 8.364 ( 0.031 -0.108 -0.920) 0.926 8.501 ( -0.818 -5.142 1.956) 5.562 8.587 ( -1.154 -5.767 -0.200) 5.884 8.747 ( 5.595 7.480 4.295) 10.282 8.994 ( -2.869 6.154 1.922) 7.057 9.081 ( 0.695 -5.994 0.810) 6.088 9.187 ( -2.367 -1.821 2.301) 3.770 9.771 ( 1.487 10.898 -6.738) 12.899 9.835 ( -0.357 12.010 -3.450) 12.501 10.262 ( 2.861 -11.304 -7.501) 13.865 10.396 ( -1.547 -12.190 -7.972) 14.647 11.238 ( 0.608 3.558 -2.042) 4.148 11.282 ( -0.897 4.798 -3.178) 5.825 11.444 ( -1.169 -5.831 -0.429) 5.962 11.503 ( -3.480 -4.871 -4.692) 7.607 11.925 ( 3.405 7.381 -3.104) 8.701 12.009 ( -0.606 6.860 -0.541) 6.908 12.339 ( 1.031 -4.390 -3.369) 5.629 12.400 ( 0.623 -4.178 -5.422) 6.873 12.581 ( 7.359 5.184 6.791) 11.276 12.761 ( 8.419 -0.950 3.352) 9.111 13.225 ( -10.231 5.753 5.340) 12.895 13.360 ( -10.295 -0.663 4.772) 11.366 14.705 ( 6.977 8.075 8.057) 13.372 14.968 ( -0.898 -0.018 2.879) 3.016 15.239 ( 1.763 -9.281 4.923) 10.652 15.435 ( -3.557 -13.242 0.139) 13.712 19.312 ( -0.541 12.659 -0.345) 12.675 19.318 ( -0.528 14.159 -1.064) 14.209 19.446 ( 3.340 9.175 -2.603) 10.105 19.655 ( -4.815 3.927 -9.282) 11.170 20.491 ( 4.923 1.509 -1.558) 5.380 20.609 ( 5.272 -2.235 -2.710) 6.335 20.940 ( -6.044 -4.051 -2.228) 7.610 21.063 ( -4.086 -7.817 -5.260) 10.270 22.268 ( 5.204 1.619 -0.453) 5.469 22.326 ( 5.856 -1.059 -2.171) 6.334 22.627 ( -7.135 0.998 -1.917) 7.455 22.692 ( -7.312 -2.049 -3.957) 8.562 23.758 ( 2.700 2.051 10.069) 10.624 23.827 ( 0.698 1.505 7.640) 7.818 23.961 ( 4.871 -4.302 6.258) 9.022 24.133 ( -1.577 -9.499 1.509) 9.747 ======================= Grid point 152 (57/90) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -9.890 8.510 4.905) 13.939 2.366 ( 9.890 8.510 4.905) 13.939 2.443 ( -9.692 10.365 9.231) 16.929 2.443 ( 9.692 10.365 9.231) 16.929 2.693 ( -5.354 -5.995 -2.164) 8.324 2.693 ( 5.354 -5.995 -2.164) 8.324 2.911 ( -3.791 -9.400 2.077) 10.346 2.911 ( 3.791 -9.400 2.077) 10.346 3.380 ( -2.430 14.610 5.941) 15.958 3.380 ( 2.430 14.610 5.941) 15.958 3.701 ( -2.632 8.053 -0.260) 8.477 3.701 ( 2.632 8.053 -0.260) 8.477 3.807 ( -4.723 10.813 -3.723) 12.373 3.807 ( 4.723 10.813 -3.723) 12.373 4.108 ( -3.457 -3.155 -0.061) 4.681 4.108 ( 3.457 -3.155 -0.061) 4.681 4.336 ( -3.358 -5.964 -2.645) 7.338 4.336 ( 3.358 -5.964 -2.645) 7.338 4.476 ( -1.305 -9.845 0.385) 9.939 4.476 ( 1.305 -9.845 0.385) 9.939 4.901 ( -1.836 6.543 7.473) 10.101 4.901 ( 1.836 6.543 7.473) 10.101 5.125 ( -2.633 -1.423 0.679) 3.069 5.125 ( 2.633 -1.423 0.679) 3.069 5.543 ( -1.984 10.350 -9.529) 14.208 5.543 ( 1.984 10.350 -9.529) 14.208 5.853 ( -0.454 -4.392 -8.083) 9.210 5.853 ( 0.454 -4.392 -8.083) 9.210 6.378 ( -3.716 1.991 -3.900) 5.743 6.378 ( 3.716 1.991 -3.900) 5.743 6.628 ( -4.897 -4.371 -3.848) 7.608 6.628 ( 4.897 -4.371 -3.848) 7.608 6.901 ( -5.423 10.860 1.683) 12.255 6.901 ( 5.423 10.860 1.683) 12.255 7.130 ( -2.691 0.380 -0.597) 2.782 7.130 ( 2.691 0.380 -0.597) 2.782 7.490 ( -1.311 -0.534 -3.273) 3.566 7.490 ( 1.311 -0.534 -3.273) 3.566 7.724 ( -1.323 -15.412 0.517) 15.477 7.724 ( 1.323 -15.412 0.517) 15.477 8.318 ( -2.792 2.452 0.735) 3.788 8.318 ( 2.792 2.452 0.735) 3.788 8.535 ( -2.959 -6.527 -0.067) 7.167 8.535 ( 2.959 -6.527 -0.067) 7.167 8.885 ( -6.151 6.727 3.424) 9.737 8.885 ( 6.151 6.727 3.424) 9.737 9.126 ( -2.780 -4.401 1.118) 5.324 9.126 ( 2.780 -4.401 1.118) 5.324 9.810 ( -1.760 11.967 -5.191) 13.162 9.810 ( 1.760 11.967 -5.191) 13.162 10.339 ( -3.436 -12.779 -7.841) 15.382 10.339 ( 3.436 -12.779 -7.841) 15.382 11.259 ( -1.117 3.832 -2.468) 4.693 11.259 ( 1.117 3.832 -2.468) 4.693 11.441 ( -1.393 -4.685 -2.622) 5.547 11.441 ( 1.393 -4.685 -2.622) 5.547 11.991 ( -1.805 8.997 -1.745) 9.341 11.991 ( 1.805 8.997 -1.745) 9.341 12.365 ( -1.706 -8.323 -3.801) 9.308 12.365 ( 1.706 -8.323 -3.801) 9.308 12.830 ( -9.522 10.486 2.410) 14.367 12.830 ( 9.522 10.486 2.410) 14.367 13.114 ( -8.000 -4.152 7.416) 11.672 13.114 ( 8.000 -4.152 7.416) 11.672 14.872 ( -6.953 7.810 6.868) 12.510 14.872 ( 6.953 7.810 6.868) 12.510 15.330 ( -5.324 -14.255 1.088) 15.256 15.330 ( 5.324 -14.255 1.088) 15.256 19.308 ( -0.233 13.407 -0.599) 13.422 19.308 ( 0.233 13.407 -0.599) 13.422 19.540 ( -4.982 6.920 -5.413) 10.099 19.540 ( 4.982 6.920 -5.413) 10.099 20.621 ( -5.231 2.380 -0.300) 5.755 20.621 ( 5.231 2.380 -0.300) 5.755 20.929 ( -5.818 -9.122 -5.181) 11.996 20.929 ( 5.818 -9.122 -5.181) 11.996 22.424 ( -6.691 2.008 -2.410) 7.389 22.424 ( 6.691 2.008 -2.410) 7.389 22.510 ( -6.708 -2.126 -2.930) 7.622 22.510 ( 6.708 -2.126 -2.930) 7.622 23.816 ( -1.827 3.717 8.109) 9.106 23.816 ( 1.827 3.717 8.109) 9.106 24.069 ( -4.133 -9.014 4.394) 10.847 24.069 ( 4.133 -9.014 4.394) 10.847 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 0.000 -4.700 9.816) 10.883 2.358 ( 0.000 4.700 9.816) 10.883 2.535 ( 0.000 -5.781 7.388) 9.381 2.535 ( 0.000 5.781 7.388) 9.381 2.849 ( 0.000 -9.091 1.740) 9.256 2.849 ( 0.000 9.091 1.740) 9.256 3.032 ( 0.000 -1.126 2.029) 2.320 3.032 ( 0.000 1.126 2.029) 2.320 3.468 ( 0.000 -5.583 -2.877) 6.281 3.468 ( 0.000 5.583 -2.877) 6.281 3.590 ( 0.000 -5.186 4.209) 6.679 3.590 ( 0.000 5.186 4.209) 6.679 3.874 ( 0.000 -2.092 -4.127) 4.627 3.874 ( 0.000 2.092 -4.127) 4.627 4.160 ( 0.000 -10.029 -3.587) 10.651 4.160 ( 0.000 10.029 -3.587) 10.651 4.232 ( 0.000 -7.485 1.015) 7.553 4.232 ( 0.000 7.485 1.015) 7.553 4.306 ( 0.000 -1.693 1.840) 2.500 4.306 ( 0.000 1.693 1.840) 2.500 4.997 ( 0.000 -3.479 3.783) 5.139 4.997 ( 0.000 3.479 3.783) 5.139 5.106 ( 0.000 -7.563 3.221) 8.220 5.106 ( 0.000 7.563 3.221) 8.220 5.642 ( 0.000 -4.134 -10.674) 11.447 5.642 ( 0.000 4.134 -10.674) 11.447 5.839 ( 0.000 -0.923 -8.575) 8.624 5.839 ( 0.000 0.923 -8.575) 8.624 6.351 ( 0.000 -9.128 -4.462) 10.160 6.351 ( 0.000 9.128 -4.462) 10.160 6.526 ( 0.000 -5.053 -3.694) 6.259 6.526 ( 0.000 5.053 -3.694) 6.259 6.990 ( 0.000 -5.394 -4.094) 6.772 6.990 ( 0.000 5.394 -4.094) 6.772 7.246 ( 0.000 -2.773 3.846) 4.742 7.246 ( 0.000 2.773 3.846) 4.742 7.362 ( 0.000 -5.790 -2.406) 6.270 7.362 ( 0.000 5.790 -2.406) 6.270 7.703 ( 0.000 -1.571 0.379) 1.616 7.703 ( 0.000 1.571 0.379) 1.616 8.313 ( 0.000 -1.587 -0.260) 1.608 8.313 ( 0.000 1.587 -0.260) 1.608 8.502 ( 0.000 -2.961 1.038) 3.137 8.502 ( 0.000 2.961 1.038) 3.137 8.872 ( 0.000 -9.722 3.141) 10.217 8.872 ( 0.000 9.722 3.141) 10.217 9.170 ( 0.000 -4.091 3.022) 5.086 9.170 ( 0.000 4.091 3.022) 5.086 9.942 ( 0.000 -6.386 -6.210) 8.907 9.942 ( 0.000 6.386 -6.210) 8.907 10.170 ( 0.000 -9.538 -6.804) 11.716 10.170 ( 0.000 9.538 -6.804) 11.716 11.315 ( 0.000 -4.150 -1.842) 4.540 11.315 ( 0.000 4.150 -1.842) 4.540 11.440 ( 0.000 -4.983 -3.582) 6.137 11.440 ( 0.000 4.983 -3.582) 6.137 12.006 ( 0.000 -5.074 -4.270) 6.631 12.006 ( 0.000 5.074 -4.270) 6.631 12.365 ( 0.000 -0.841 -3.411) 3.513 12.365 ( 0.000 0.841 -3.411) 3.513 12.548 ( 0.000 -3.075 7.688) 8.280 12.548 ( 0.000 3.075 7.688) 8.280 13.471 ( 0.000 -3.095 3.387) 4.588 13.471 ( 0.000 3.095 3.387) 4.588 14.781 ( 0.000 -8.944 4.286) 9.918 14.781 ( 0.000 8.944 4.286) 9.918 15.276 ( 0.000 -6.701 3.613) 7.613 15.276 ( 0.000 6.701 3.613) 7.613 19.480 ( 0.000 -2.520 -0.748) 2.629 19.480 ( 0.000 2.520 -0.748) 2.629 19.600 ( 0.000 -11.511 -4.657) 12.418 19.600 ( 0.000 11.511 -4.657) 12.418 20.481 ( 0.000 -2.299 -4.593) 5.136 20.481 ( 0.000 2.299 -4.593) 5.136 21.013 ( 0.000 -0.063 -4.002) 4.003 21.013 ( 0.000 0.063 -4.002) 4.003 22.235 ( 0.000 -1.116 -0.154) 1.127 22.235 ( 0.000 1.116 -0.154) 1.127 22.743 ( 0.000 -1.774 -2.916) 3.413 22.743 ( 0.000 1.774 -2.916) 3.413 23.747 ( 0.000 -1.914 10.727) 10.896 23.747 ( 0.000 1.914 10.727) 10.896 23.993 ( 0.000 -6.258 3.031) 6.953 23.993 ( 0.000 6.258 3.031) 6.953 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 2.950 -6.628 5.759) 9.262 2.380 ( 2.950 6.628 5.759) 9.262 2.570 ( 3.165 -8.947 7.118) 11.863 2.570 ( 3.165 8.947 7.118) 11.863 2.777 ( -6.847 -8.703 1.917) 11.238 2.777 ( -6.847 8.703 1.917) 11.238 2.863 ( -11.200 -3.708 2.249) 12.010 2.863 ( -11.200 3.708 2.249) 12.010 3.549 ( 5.946 -5.705 -0.555) 8.259 3.549 ( 5.946 5.705 -0.555) 8.259 3.628 ( 2.317 -4.624 4.527) 6.873 3.628 ( 2.317 4.624 4.527) 6.873 3.962 ( 5.484 -6.249 -2.457) 8.670 3.962 ( 5.484 6.249 -2.457) 8.670 4.098 ( -3.337 -11.327 -2.539) 12.078 4.098 ( -3.337 11.327 -2.539) 12.078 4.264 ( 1.205 -10.975 0.642) 11.059 4.264 ( 1.205 10.975 0.642) 11.059 4.310 ( 0.245 -7.333 -1.031) 7.409 4.310 ( 0.245 7.333 -1.031) 7.409 5.007 ( 0.846 -4.899 3.800) 6.258 5.007 ( 0.846 4.899 3.800) 6.258 5.083 ( -1.918 -7.144 3.729) 8.284 5.083 ( -1.918 7.144 3.729) 8.284 5.667 ( 2.186 -4.460 -10.262) 11.400 5.667 ( 2.186 4.460 -10.262) 11.400 5.810 ( -2.598 -1.402 -8.795) 9.277 5.810 ( -2.598 1.402 -8.795) 9.277 6.381 ( 3.256 -6.973 -5.160) 9.265 6.381 ( 3.256 6.973 -5.160) 9.265 6.544 ( 0.087 -6.084 -3.553) 7.046 6.544 ( 0.087 6.084 -3.553) 7.046 7.007 ( 2.018 -6.364 -3.057) 7.343 7.007 ( 2.018 6.364 -3.057) 7.343 7.204 ( -3.930 -1.873 3.990) 5.905 7.204 ( -3.930 1.873 3.990) 5.905 7.392 ( 3.339 -3.423 -2.435) 5.366 7.392 ( 3.339 3.423 -2.435) 5.366 7.643 ( -5.041 -0.703 -0.005) 5.089 7.643 ( -5.041 0.703 -0.005) 5.089 8.335 ( 2.158 -3.503 0.147) 4.117 8.335 ( 2.158 3.503 0.147) 4.117 8.480 ( -2.240 -3.798 0.583) 4.448 8.480 ( -2.240 3.798 0.583) 4.448 8.916 ( 3.723 -8.492 3.079) 9.770 8.916 ( 3.723 8.492 3.079) 9.770 9.124 ( -3.826 -4.628 3.003) 6.714 9.124 ( -3.826 4.628 3.003) 6.714 9.981 ( 3.247 -7.445 -6.358) 10.315 9.981 ( 3.247 7.445 -6.358) 10.315 10.143 ( -2.399 -9.555 -6.857) 12.003 10.143 ( -2.399 9.555 -6.857) 12.003 11.317 ( 0.473 -3.790 -2.112) 4.364 11.317 ( 0.473 3.790 -2.112) 4.364 11.404 ( -2.723 -4.264 -3.144) 5.957 11.404 ( -2.723 4.264 -3.144) 5.957 12.059 ( 4.474 -3.895 -3.856) 7.075 12.059 ( 4.474 3.895 -3.856) 7.075 12.303 ( -4.524 -2.961 -2.845) 6.109 12.303 ( -4.524 2.961 -2.845) 6.109 12.695 ( 11.488 -5.072 6.393) 14.091 12.695 ( 11.488 5.072 6.393) 14.091 13.322 ( -11.997 -3.430 4.076) 13.126 13.322 ( -11.997 3.430 4.076) 13.126 14.880 ( 7.695 -8.634 4.083) 12.264 14.880 ( 7.695 8.634 4.083) 12.264 15.220 ( -4.918 -7.115 3.700) 9.408 15.220 ( -4.918 7.115 3.700) 9.408 19.492 ( 1.066 -4.254 -1.226) 4.554 19.492 ( 1.066 4.254 -1.226) 4.554 19.575 ( -1.991 -10.076 -3.931) 10.998 19.575 ( -1.991 10.076 -3.931) 10.998 20.559 ( 6.504 -3.754 -4.224) 8.616 20.559 ( 6.504 3.754 -4.224) 8.616 20.931 ( -6.878 -4.085 -3.576) 8.762 20.931 ( -6.878 4.085 -3.576) 8.762 22.300 ( 5.613 -1.519 -1.218) 5.941 22.300 ( 5.613 1.519 -1.218) 5.941 22.654 ( -7.189 -1.681 -2.931) 7.943 22.654 ( -7.189 1.681 -2.931) 7.943 23.808 ( 4.701 -2.846 9.385) 10.875 23.808 ( 4.701 2.846 9.385) 10.875 23.979 ( -1.498 -5.540 4.152) 7.084 23.979 ( -1.498 5.540 4.152) 7.084 ======================= Grid point 159 (60/90) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -9.936 -6.817 0.181) 12.051 2.528 ( 6.526 -5.696 0.181) 8.664 2.528 ( -6.526 5.696 0.181) 8.664 2.528 ( 9.936 6.817 0.181) 12.051 2.688 ( -5.317 -10.787 6.906) 13.868 2.688 ( 4.837 -10.730 6.906) 13.646 2.688 ( -4.837 10.730 6.906) 13.646 2.688 ( 5.317 10.787 6.906) 13.868 3.646 ( -0.827 -10.266 3.163) 10.775 3.646 ( 0.608 -10.263 3.163) 10.756 3.646 ( -0.608 10.263 3.163) 10.756 3.646 ( 0.827 10.266 3.163) 10.775 4.044 ( -1.979 -8.855 -1.876) 9.266 4.044 ( 1.965 -8.854 -1.876) 9.262 4.044 ( -1.964 8.854 -1.876) 9.262 4.044 ( 1.979 8.855 -1.876) 9.266 4.295 ( -1.454 -5.817 -1.537) 6.190 4.295 ( 1.374 -5.813 -1.537) 6.167 4.295 ( -1.374 5.813 -1.537) 6.167 4.295 ( 1.454 5.817 -1.537) 6.190 5.037 ( -1.826 -6.439 4.097) 7.847 5.037 ( 1.807 -6.438 4.097) 7.842 5.037 ( -1.807 6.438 4.097) 7.842 5.037 ( 1.826 6.439 4.097) 7.847 5.735 ( -2.399 -7.788 -9.468) 12.492 5.735 ( 1.146 -7.717 -9.468) 12.268 5.735 ( -1.146 7.717 -9.468) 12.268 5.735 ( 2.399 7.788 -9.468) 12.492 6.485 ( -4.173 -7.895 -4.882) 10.178 6.485 ( 2.747 -7.738 -4.882) 9.553 6.485 ( -2.747 7.738 -4.882) 9.553 6.485 ( 4.173 7.895 -4.882) 10.178 7.093 ( -5.213 -6.427 0.912) 8.325 7.093 ( 5.202 -6.424 0.912) 8.316 7.093 ( -5.202 6.424 0.912) 8.316 7.093 ( 5.213 6.427 0.912) 8.325 7.507 ( -4.451 -4.169 -0.987) 6.178 7.507 ( -2.459 -3.734 -0.987) 4.578 7.507 ( 2.459 3.734 -0.987) 4.578 7.507 ( 4.451 4.169 -0.987) 6.178 8.407 ( -3.358 -5.862 0.346) 6.765 8.407 ( 2.271 -5.730 0.346) 6.173 8.407 ( -2.271 5.730 0.346) 6.173 8.407 ( 3.358 5.862 0.346) 6.765 9.020 ( -5.059 -6.277 2.979) 8.595 9.020 ( 4.928 -6.251 2.979) 8.500 9.020 ( -4.928 6.251 2.979) 8.500 9.020 ( 5.059 6.277 2.979) 8.595 10.068 ( -2.962 -13.674 -6.708) 15.516 10.068 ( 2.264 -13.641 -6.708) 15.369 10.068 ( -2.264 13.641 -6.708) 15.369 10.068 ( 2.962 13.674 -6.708) 15.516 11.345 ( -1.753 -4.710 -2.571) 5.645 11.345 ( 1.324 -4.675 -2.571) 5.497 11.345 ( -1.324 4.675 -2.571) 5.497 11.345 ( 1.753 4.710 -2.571) 5.645 12.182 ( -3.039 -9.418 -3.216) 10.406 12.182 ( -0.246 -9.296 -3.216) 9.839 12.182 ( 0.246 9.296 -3.216) 9.839 12.182 ( 3.039 9.418 -3.216) 10.406 13.004 ( -13.719 -6.261 5.280) 15.978 13.004 ( -7.763 -2.686 5.280) 9.765 13.004 ( 7.763 2.686 5.280) 9.765 13.004 ( 13.719 6.261 5.280) 15.978 15.068 ( -6.707 -11.483 3.864) 13.848 15.068 ( 3.342 -11.109 3.864) 12.227 15.068 ( -3.342 11.109 3.864) 12.227 15.068 ( 6.707 11.483 3.864) 13.848 19.527 ( -1.993 -7.267 -2.465) 7.929 19.527 ( 1.981 -7.267 -2.465) 7.925 19.527 ( -1.981 7.267 -2.465) 7.925 19.527 ( 1.993 7.267 -2.465) 7.929 20.742 ( -7.337 -8.443 -3.534) 11.730 20.742 ( 0.701 -7.612 -3.534) 8.422 20.742 ( -0.701 7.612 -3.534) 8.422 20.742 ( 7.337 8.443 -3.534) 11.730 22.466 ( -8.471 -1.979 -2.604) 9.080 22.466 ( -7.655 0.791 -2.604) 8.125 22.466 ( 7.655 -0.791 -2.604) 8.125 22.466 ( 8.471 1.979 -2.604) 9.080 23.916 ( -3.296 -6.224 6.691) 9.714 23.916 ( 1.614 -6.055 6.691) 9.168 23.916 ( -1.614 6.055 6.691) 9.168 23.916 ( 3.296 6.224 6.691) 9.714 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.000 0.000 19.617) 19.617 2.095 ( 0.000 0.000 21.910) 21.910 2.207 ( 0.000 0.000 5.838) 5.838 2.243 ( 0.000 0.000 -0.775) 0.775 2.527 ( 0.000 0.000 -9.432) 9.432 2.576 ( 0.000 0.000 2.065) 2.065 2.620 ( 0.000 0.000 -3.251) 3.251 2.858 ( 0.000 0.000 -13.506) 13.506 2.888 ( 0.000 0.000 7.128) 7.128 3.130 ( 0.000 0.000 -1.959) 1.959 3.142 ( 0.000 0.000 -5.766) 5.766 3.188 ( 0.000 0.000 -2.306) 2.306 3.689 ( 0.000 0.000 4.526) 4.526 3.696 ( 0.000 0.000 1.340) 1.340 4.146 ( 0.000 0.000 -2.109) 2.109 4.152 ( 0.000 0.000 1.618) 1.618 4.392 ( 0.000 0.000 -0.264) 0.264 4.577 ( 0.000 0.000 -3.208) 3.208 4.676 ( 0.000 0.000 -4.966) 4.966 4.707 ( 0.000 0.000 -4.745) 4.745 4.798 ( 0.000 0.000 -5.256) 5.256 4.860 ( 0.000 0.000 -3.171) 3.171 5.072 ( 0.000 0.000 6.277) 6.277 5.149 ( 0.000 0.000 8.900) 8.900 5.227 ( 0.000 0.000 -0.772) 0.772 5.681 ( 0.000 0.000 6.794) 6.794 5.997 ( 0.000 0.000 -5.870) 5.870 6.107 ( 0.000 0.000 9.088) 9.088 6.262 ( 0.000 0.000 -2.645) 2.645 6.307 ( 0.000 0.000 7.104) 7.104 6.351 ( 0.000 0.000 1.981) 1.981 6.508 ( 0.000 0.000 2.875) 2.875 6.595 ( 0.000 0.000 2.989) 2.989 6.674 ( 0.000 0.000 -11.445) 11.445 7.026 ( 0.000 0.000 -6.702) 6.702 7.029 ( 0.000 0.000 -6.220) 6.220 7.138 ( 0.000 0.000 -4.507) 4.507 7.292 ( 0.000 0.000 -11.503) 11.503 8.350 ( 0.000 0.000 10.800) 10.800 8.417 ( 0.000 0.000 -1.671) 1.671 8.448 ( 0.000 0.000 -0.011) 0.011 8.603 ( 0.000 0.000 -0.228) 0.228 8.644 ( 0.000 0.000 1.484) 1.484 8.671 ( 0.000 0.000 -3.896) 3.896 8.984 ( 0.000 0.000 0.621) 0.621 9.057 ( 0.000 0.000 -1.612) 1.612 9.066 ( 0.000 0.000 -2.539) 2.539 9.113 ( 0.000 0.000 -3.376) 3.376 9.161 ( 0.000 0.000 6.570) 6.570 9.321 ( 0.000 0.000 -0.490) 0.490 10.484 ( 0.000 0.000 -3.343) 3.343 10.532 ( 0.000 0.000 -6.055) 6.055 11.057 ( 0.000 0.000 -0.726) 0.726 11.067 ( 0.000 0.000 -1.240) 1.240 11.568 ( 0.000 0.000 -1.971) 1.971 11.638 ( 0.000 0.000 -4.410) 4.410 11.854 ( 0.000 0.000 5.282) 5.282 12.025 ( 0.000 0.000 7.334) 7.334 12.062 ( 0.000 0.000 -5.174) 5.174 12.265 ( 0.000 0.000 -4.870) 4.870 12.443 ( 0.000 0.000 5.378) 5.378 12.648 ( 0.000 0.000 -4.938) 4.938 13.317 ( 0.000 0.000 8.077) 8.077 13.467 ( 0.000 0.000 -0.014) 0.014 14.667 ( 0.000 0.000 14.284) 14.284 15.118 ( 0.000 0.000 -8.476) 8.476 15.850 ( 0.000 0.000 0.863) 0.863 15.972 ( 0.000 0.000 -5.353) 5.353 18.714 ( 0.000 0.000 0.188) 0.188 18.723 ( 0.000 0.000 -0.282) 0.282 18.744 ( 0.000 0.000 0.069) 0.069 18.748 ( 0.000 0.000 -0.105) 0.105 20.629 ( 0.000 0.000 1.603) 1.603 20.690 ( 0.000 0.000 -1.293) 1.293 21.159 ( 0.000 0.000 1.041) 1.041 21.271 ( 0.000 0.000 -3.788) 3.788 22.192 ( 0.000 0.000 0.986) 0.986 22.240 ( 0.000 0.000 -1.458) 1.458 22.693 ( 0.000 0.000 0.425) 0.425 22.777 ( 0.000 0.000 -4.159) 4.159 23.952 ( 0.000 0.000 10.359) 10.359 23.999 ( 0.000 0.000 7.025) 7.025 24.067 ( 0.000 0.000 0.050) 0.050 24.439 ( 0.000 0.000 -12.035) 12.035 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 3.057 0.000 16.720) 16.998 2.164 ( -3.658 0.000 7.048) 7.940 2.190 ( 7.529 0.000 18.319) 19.806 2.283 ( 3.322 0.000 -0.478) 3.356 2.469 ( -3.893 0.000 -4.421) 5.890 2.527 ( -4.561 0.000 5.237) 6.945 2.672 ( 3.408 0.000 -7.713) 8.432 2.751 ( -7.061 0.000 -1.313) 7.182 2.828 ( -2.588 0.000 -12.688) 12.949 2.831 ( -10.949 0.000 -8.004) 13.563 3.318 ( 7.983 0.000 6.201) 10.109 3.445 ( 9.429 0.000 -2.268) 9.698 3.715 ( 3.032 0.000 3.050) 4.300 3.771 ( 5.061 0.000 1.543) 5.291 4.139 ( 1.725 0.000 -1.260) 2.137 4.229 ( 2.709 0.000 -4.721) 5.442 4.380 ( 0.666 0.000 4.773) 4.819 4.584 ( 0.873 0.000 -4.158) 4.249 4.631 ( -4.977 0.000 2.700) 5.663 4.691 ( -1.465 0.000 -4.650) 4.875 4.790 ( 1.201 0.000 -10.432) 10.501 4.870 ( -0.281 0.000 -6.062) 6.068 5.016 ( -3.557 0.000 9.250) 9.910 5.140 ( -1.764 0.000 1.160) 2.111 5.193 ( -1.420 0.000 9.603) 9.707 5.508 ( -12.595 0.000 11.758) 17.230 5.984 ( 2.659 0.000 -10.907) 11.227 6.150 ( 3.796 0.000 9.299) 10.044 6.208 ( -4.384 0.000 -6.567) 7.896 6.362 ( -0.590 0.000 5.990) 6.019 6.463 ( -2.062 0.000 0.306) 2.085 6.500 ( 10.904 0.000 3.879) 11.574 6.567 ( -2.472 0.000 1.987) 3.172 6.700 ( 1.295 0.000 -7.761) 7.869 7.024 ( 0.004 0.000 -6.445) 6.445 7.030 ( -0.044 0.000 -6.528) 6.528 7.168 ( 2.493 0.000 -5.160) 5.730 7.281 ( -1.272 0.000 -10.199) 10.278 8.392 ( 0.110 0.000 1.041) 1.046 8.413 ( 5.151 0.000 9.499) 10.806 8.464 ( 0.286 0.000 0.935) 0.977 8.605 ( -0.137 0.000 0.299) 0.329 8.647 ( -2.582 0.000 -0.409) 2.615 8.657 ( -0.169 0.000 -1.084) 1.097 9.009 ( 2.173 0.000 -1.075) 2.424 9.032 ( -1.038 0.000 -2.081) 2.326 9.064 ( 0.334 0.000 -2.435) 2.458 9.099 ( -1.928 0.000 -4.972) 5.333 9.203 ( 2.941 0.000 4.738) 5.576 9.307 ( -1.291 0.000 0.129) 1.297 10.490 ( 0.502 0.000 -3.666) 3.701 10.524 ( -0.698 0.000 -5.570) 5.614 11.103 ( 3.713 0.000 -0.425) 3.737 11.114 ( 3.774 0.000 -1.135) 3.941 11.520 ( -3.954 0.000 -2.125) 4.489 11.544 ( -5.860 0.000 -2.444) 6.349 11.936 ( 5.145 0.000 1.482) 5.355 12.052 ( 2.286 0.000 6.305) 6.707 12.063 ( -0.251 0.000 -4.358) 4.366 12.210 ( -3.880 0.000 -0.655) 3.935 12.494 ( 3.552 0.000 1.383) 3.812 12.628 ( -1.766 0.000 -4.254) 4.606 13.316 ( 0.227 0.000 7.197) 7.200 13.422 ( -3.475 0.000 1.431) 3.758 14.728 ( 5.232 0.000 12.421) 13.478 15.047 ( -6.005 0.000 -2.857) 6.650 15.857 ( 0.950 0.000 -1.530) 1.801 15.951 ( -1.878 0.000 -5.568) 5.876 18.715 ( 0.097 0.000 0.110) 0.147 18.722 ( -0.135 0.000 -0.234) 0.270 18.745 ( 0.063 0.000 0.071) 0.095 18.748 ( -0.020 0.000 -0.079) 0.082 20.669 ( 4.081 0.000 2.886) 4.999 20.773 ( 5.277 0.000 -1.474) 5.480 21.090 ( -4.181 0.000 0.916) 4.280 21.234 ( -4.011 0.000 -5.365) 6.699 22.224 ( 3.318 0.000 0.958) 3.454 22.287 ( 3.673 0.000 -2.541) 4.466 22.611 ( -6.322 0.000 0.412) 6.336 22.686 ( -7.142 0.000 -3.762) 8.072 23.903 ( -1.461 0.000 9.290) 9.404 23.945 ( -1.722 0.000 6.370) 6.599 24.251 ( 9.545 0.000 -0.601) 9.564 24.457 ( 0.547 0.000 -9.674) 9.689 ======================= Grid point 182 (63/90) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -4.722 0.000 11.105) 12.067 2.064 ( 4.722 0.000 11.105) 12.067 2.374 ( -4.461 0.000 -1.135) 4.603 2.374 ( 4.461 0.000 -1.135) 4.603 2.377 ( -8.276 0.000 11.485) 14.157 2.377 ( 8.276 0.000 11.485) 14.157 2.685 ( -1.810 0.000 -7.370) 7.589 2.685 ( 1.810 0.000 -7.370) 7.589 2.754 ( -3.768 0.000 -10.749) 11.390 2.754 ( 3.768 0.000 -10.749) 11.390 3.474 ( -4.838 0.000 3.989) 6.271 3.474 ( 4.838 0.000 3.989) 6.271 3.816 ( -2.656 0.000 1.096) 2.873 3.816 ( 2.656 0.000 1.096) 2.873 4.205 ( -3.367 0.000 -4.688) 5.771 4.205 ( 3.367 0.000 -4.688) 5.771 4.484 ( -7.068 0.000 6.650) 9.705 4.484 ( 7.068 0.000 6.650) 9.705 4.632 ( -3.402 0.000 -6.190) 7.063 4.632 ( 3.402 0.000 -6.190) 7.063 4.838 ( -2.302 0.000 -9.879) 10.144 4.838 ( 2.302 0.000 -9.879) 10.144 5.021 ( -5.011 0.000 12.390) 13.365 5.021 ( 5.011 0.000 12.390) 13.365 5.272 ( -7.386 0.000 7.602) 10.600 5.272 ( 7.386 0.000 7.602) 10.600 6.089 ( -5.705 0.000 -10.620) 12.055 6.089 ( 5.705 0.000 -10.620) 12.055 6.265 ( -6.020 0.000 9.328) 11.102 6.265 ( 6.020 0.000 9.328) 11.102 6.496 ( -3.408 0.000 -0.248) 3.417 6.496 ( 3.408 0.000 -0.248) 3.417 6.677 ( -4.295 0.000 -1.592) 4.581 6.677 ( 4.295 0.000 -1.592) 4.581 7.027 ( -0.208 0.000 -6.492) 6.495 7.027 ( 0.208 0.000 -6.492) 6.495 7.232 ( -2.858 0.000 -7.306) 7.845 7.232 ( 2.858 0.000 -7.306) 7.845 8.435 ( -2.719 0.000 2.180) 3.485 8.435 ( 2.719 0.000 2.180) 3.485 8.547 ( -5.988 0.000 5.763) 8.310 8.547 ( 5.988 0.000 5.763) 8.310 8.623 ( -1.932 0.000 -0.804) 2.093 8.623 ( 1.932 0.000 -0.804) 2.093 9.048 ( -2.105 0.000 -4.275) 4.765 9.048 ( 2.105 0.000 -4.275) 4.765 9.056 ( -1.351 0.000 -3.012) 3.301 9.056 ( 1.351 0.000 -3.012) 3.301 9.265 ( -2.406 0.000 1.889) 3.059 9.265 ( 2.406 0.000 1.889) 3.059 10.505 ( -0.837 0.000 -4.539) 4.616 10.505 ( 0.837 0.000 -4.539) 4.616 11.173 ( -0.585 0.000 -0.253) 0.638 11.173 ( 0.585 0.000 -0.253) 0.638 11.455 ( -0.606 0.000 -2.658) 2.726 11.455 ( 0.606 0.000 -2.658) 2.726 12.031 ( -2.921 0.000 -2.016) 3.549 12.031 ( 2.921 0.000 -2.016) 3.549 12.121 ( -3.763 0.000 3.544) 5.169 12.121 ( 3.763 0.000 3.544) 5.169 12.572 ( -3.172 0.000 -2.216) 3.869 12.572 ( 3.172 0.000 -2.216) 3.869 13.346 ( -2.649 0.000 4.584) 5.294 13.346 ( 2.649 0.000 4.584) 5.294 14.882 ( -7.922 0.000 6.576) 10.296 14.882 ( 7.922 0.000 6.576) 10.296 15.898 ( -2.483 0.000 -4.790) 5.396 15.898 ( 2.483 0.000 -4.790) 5.396 18.718 ( -0.175 0.000 -0.071) 0.189 18.718 ( 0.175 0.000 -0.071) 0.189 18.746 ( -0.089 0.000 0.005) 0.089 18.746 ( 0.089 0.000 0.005) 0.089 20.786 ( -4.780 0.000 3.338) 5.830 20.786 ( 4.780 0.000 3.338) 5.830 21.105 ( -5.921 0.000 -5.060) 7.789 21.105 ( 5.921 0.000 -5.060) 7.789 22.323 ( -3.362 0.000 -1.205) 3.571 22.323 ( 3.362 0.000 -1.205) 3.571 22.536 ( -3.436 0.000 -1.702) 3.834 22.536 ( 3.436 0.000 -1.702) 3.834 23.910 ( -1.327 0.000 7.884) 7.994 23.910 ( 1.327 0.000 7.884) 7.994 24.417 ( -4.702 0.000 -5.181) 6.997 24.417 ( 4.702 0.000 -5.181) 6.997 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 0.000 9.349 18.418) 20.655 2.113 ( 0.000 2.722 19.520) 19.709 2.367 ( 0.000 13.826 5.293) 14.804 2.408 ( 0.000 13.900 -0.074) 13.900 2.596 ( 0.000 3.130 2.344) 3.910 2.666 ( 0.000 12.796 -9.165) 15.740 2.745 ( 0.000 9.456 -1.444) 9.566 2.929 ( 0.000 5.055 4.743) 6.932 2.961 ( 0.000 8.493 -12.428) 15.053 3.116 ( 0.000 -0.192 -0.909) 0.929 3.164 ( 0.000 0.533 -6.199) 6.222 3.165 ( 0.000 1.241 -0.605) 1.380 3.653 ( 0.000 -2.933 4.080) 5.024 3.661 ( 0.000 -3.338 1.228) 3.557 4.139 ( 0.000 -1.431 0.493) 1.514 4.148 ( 0.000 -0.470 -3.393) 3.425 4.314 ( 0.000 -6.486 1.244) 6.604 4.616 ( 0.000 -4.111 -9.406) 10.265 4.626 ( 0.000 3.491 -1.358) 3.745 4.749 ( 0.000 4.633 1.494) 4.868 4.878 ( 0.000 4.815 -6.431) 8.034 4.891 ( 0.000 3.172 -3.441) 4.681 5.070 ( 0.000 -0.034 6.250) 6.250 5.124 ( 0.000 -1.943 9.122) 9.326 5.198 ( 0.000 -2.769 0.037) 2.769 5.616 ( 0.000 -5.820 7.114) 9.191 5.924 ( 0.000 -10.825 3.330) 11.325 5.953 ( 0.000 -3.330 -9.630) 10.189 6.263 ( 0.000 -3.773 5.326) 6.527 6.397 ( 0.000 3.685 1.880) 4.137 6.451 ( 0.000 10.966 1.617) 11.084 6.525 ( 0.000 -2.050 -1.658) 2.636 6.618 ( 0.000 2.260 0.738) 2.377 6.680 ( 0.000 3.645 -8.206) 8.979 7.024 ( 0.000 1.578 -1.666) 2.294 7.073 ( 0.000 3.531 -4.551) 5.760 7.220 ( 0.000 6.064 -6.329) 8.765 7.302 ( 0.000 1.616 -8.872) 9.018 8.329 ( 0.000 -4.318 7.377) 8.548 8.346 ( 0.000 -9.973 2.650) 10.319 8.386 ( 0.000 -2.970 -0.603) 3.030 8.514 ( 0.000 -6.680 -3.565) 7.572 8.579 ( 0.000 -3.302 3.200) 4.598 8.730 ( 0.000 3.254 -3.106) 4.499 8.853 ( 0.000 -8.176 1.629) 8.337 8.900 ( 0.000 -7.217 0.753) 7.256 9.123 ( 0.000 0.951 -5.066) 5.155 9.144 ( 0.000 2.582 -3.697) 4.510 9.310 ( 0.000 9.811 4.737) 10.895 9.440 ( 0.000 8.917 0.356) 8.924 10.473 ( 0.000 -5.558 -4.763) 7.320 10.480 ( 0.000 -0.826 -4.634) 4.707 11.086 ( 0.000 2.691 -0.801) 2.807 11.092 ( 0.000 2.217 -1.123) 2.485 11.575 ( 0.000 0.087 -2.721) 2.722 11.629 ( 0.000 -0.882 -4.286) 4.376 11.868 ( 0.000 1.739 4.105) 4.458 11.919 ( 0.000 -7.097 2.897) 7.666 12.121 ( 0.000 3.915 1.854) 4.331 12.273 ( 0.000 0.704 -4.349) 4.406 12.534 ( 0.000 7.377 1.782) 7.590 12.642 ( 0.000 -0.586 -3.533) 3.581 13.319 ( 0.000 0.359 8.261) 8.269 13.476 ( 0.000 0.942 -0.018) 0.942 14.678 ( 0.000 1.054 13.452) 13.493 15.096 ( 0.000 -2.188 -7.660) 7.966 15.735 ( 0.000 -10.276 2.891) 10.675 15.885 ( 0.000 -8.279 -5.128) 9.738 18.822 ( 0.000 8.686 -0.032) 8.686 18.827 ( 0.000 8.912 -0.254) 8.916 18.837 ( 0.000 10.562 0.571) 10.578 18.907 ( 0.000 15.448 -3.488) 15.837 20.593 ( 0.000 -3.439 1.713) 3.842 20.660 ( 0.000 -2.929 -1.455) 3.270 21.141 ( 0.000 -1.833 0.679) 1.955 21.240 ( 0.000 -3.084 -3.516) 4.677 22.196 ( 0.000 0.356 0.939) 1.004 22.241 ( 0.000 0.103 -1.391) 1.395 22.691 ( 0.000 -0.213 0.279) 0.351 22.768 ( 0.000 -0.873 -3.968) 4.063 23.943 ( 0.000 -0.851 9.812) 9.849 23.991 ( 0.000 -0.632 6.764) 6.794 24.045 ( 0.000 -2.042 0.774) 2.184 24.385 ( 0.000 -5.041 -10.208) 11.385 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 4.167 9.936 16.361) 19.590 2.190 ( 6.123 1.299 15.310) 16.540 2.318 ( -3.729 12.263 7.716) 14.960 2.433 ( 1.465 13.140 -0.144) 13.222 2.552 ( -4.078 3.381 4.586) 7.007 2.592 ( -3.859 11.249 -4.923) 12.871 2.756 ( -7.753 0.684 -1.851) 8.000 2.813 ( -2.493 8.980 -5.976) 11.071 2.835 ( -4.289 5.340 -7.966) 10.506 2.960 ( -2.365 11.932 -11.191) 16.529 3.317 ( 8.182 0.522 6.363) 10.378 3.437 ( 9.546 -0.344 -2.264) 9.817 3.651 ( 1.071 -5.303 3.976) 6.714 3.715 ( 3.318 -4.627 1.490) 5.886 4.148 ( 2.304 -0.164 -2.280) 3.246 4.212 ( 1.800 -2.113 -5.578) 6.231 4.345 ( 4.367 -3.215 4.076) 6.784 4.597 ( -2.228 -3.064 -5.144) 6.389 4.635 ( 0.455 1.746 -3.004) 3.504 4.683 ( -4.276 3.997 2.546) 6.383 4.872 ( -0.418 4.891 -7.481) 8.947 4.893 ( -0.342 2.608 -5.222) 5.847 5.024 ( -3.060 0.858 10.299) 10.779 5.137 ( 0.838 -0.321 -0.311) 0.950 5.166 ( -1.948 -2.239 10.254) 10.675 5.467 ( -10.591 -3.463 8.589) 14.068 5.930 ( 1.965 -6.181 -5.422) 8.454 5.981 ( 1.579 -7.043 -3.758) 8.137 6.361 ( 2.914 -2.245 1.494) 3.971 6.386 ( 0.943 2.224 0.256) 2.429 6.447 ( -0.009 7.622 0.462) 7.636 6.505 ( -1.877 0.752 1.612) 2.586 6.623 ( 1.364 2.008 0.280) 2.443 6.694 ( 0.487 2.601 -5.047) 5.699 7.038 ( 1.394 1.067 -2.481) 3.040 7.079 ( 0.361 4.000 -3.901) 5.599 7.230 ( 0.838 5.066 -6.982) 8.667 7.291 ( -1.048 1.815 -8.694) 8.943 8.346 ( 1.858 -8.084 3.946) 9.186 8.353 ( 0.053 -5.443 1.492) 5.644 8.378 ( 0.542 -6.983 4.527) 8.340 8.535 ( -1.653 -8.291 -2.945) 8.953 8.577 ( 1.926 -0.095 2.814) 3.412 8.705 ( -1.916 1.992 -0.763) 2.867 8.871 ( 1.589 -7.856 0.806) 8.056 8.915 ( 0.498 -6.099 0.723) 6.162 9.102 ( -0.831 1.405 -5.222) 5.471 9.140 ( -0.859 2.103 -5.503) 5.953 9.338 ( 2.185 9.387 3.574) 10.280 9.427 ( -1.107 8.909 0.611) 8.998 10.482 ( 0.665 -3.783 -4.783) 6.134 10.487 ( 0.495 -1.179 -4.795) 4.962 11.120 ( 2.755 1.488 -0.674) 3.203 11.125 ( 2.551 1.127 -0.879) 2.925 11.525 ( -3.792 -0.146 -2.951) 4.807 11.542 ( -5.657 0.053 -2.314) 6.112 11.885 ( 1.273 -2.899 2.571) 4.079 11.935 ( -0.040 -5.819 0.767) 5.869 12.184 ( 5.750 8.185 2.699) 10.361 12.325 ( 3.185 5.912 -3.405) 7.529 12.521 ( -0.948 3.879 0.769) 4.067 12.610 ( -2.711 -1.567 -3.296) 4.547 13.312 ( -0.155 -0.379 7.415) 7.426 13.424 ( -4.028 0.166 1.454) 4.286 14.738 ( 5.116 1.050 11.715) 12.826 15.033 ( -5.338 -1.289 -2.316) 5.960 15.751 ( 1.585 -9.650 -0.039) 9.779 15.861 ( -2.037 -8.449 -5.102) 10.078 18.821 ( 0.023 8.656 0.199) 8.658 18.829 ( -0.123 8.246 0.382) 8.256 18.845 ( 0.751 11.667 -0.544) 11.704 18.894 ( -1.047 14.592 -2.829) 14.900 20.638 ( 4.242 -3.075 2.795) 5.938 20.739 ( 5.176 -3.251 -1.556) 6.307 21.069 ( -4.399 -2.113 0.738) 4.936 21.203 ( -4.053 -3.126 -5.133) 7.248 22.230 ( 3.448 0.562 0.882) 3.603 22.289 ( 3.804 0.190 -2.411) 4.508 22.608 ( -6.416 -0.272 0.287) 6.428 22.677 ( -7.106 -0.828 -3.593) 8.006 23.903 ( -1.170 -0.035 8.874) 8.951 23.940 ( -1.450 -0.409 6.162) 6.343 24.218 ( 8.824 -3.164 0.085) 9.374 24.404 ( 0.647 -5.041 -8.080) 9.546 ======================= Grid point 187 (66/90) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -5.409 11.370 11.608) 17.125 2.205 ( 5.409 11.370 11.608) 17.125 2.362 ( -7.803 0.658 8.587) 11.622 2.362 ( 7.803 0.658 8.587) 11.622 2.524 ( -2.641 12.762 -1.080) 13.077 2.524 ( 2.641 12.762 -1.080) 13.077 2.679 ( -1.905 -0.019 -6.874) 7.133 2.679 ( 1.905 -0.019 -6.874) 7.133 2.901 ( -3.050 13.548 -8.927) 16.509 2.901 ( 3.050 13.548 -8.927) 16.509 3.467 ( -4.622 -0.388 4.039) 6.151 3.467 ( 4.622 -0.388 4.039) 6.151 3.731 ( -3.044 -6.615 1.289) 7.395 3.731 ( 3.044 -6.615 1.289) 7.395 4.206 ( -1.902 -0.920 -4.397) 4.878 4.206 ( 1.902 -0.920 -4.397) 4.878 4.489 ( -6.729 -1.533 2.185) 7.239 4.489 ( 6.729 -1.533 2.185) 7.239 4.635 ( -0.591 2.468 -2.086) 3.285 4.635 ( 0.591 2.468 -2.086) 3.285 4.870 ( -1.139 2.295 -8.098) 8.494 4.870 ( 1.139 2.295 -8.098) 8.494 5.041 ( -4.810 1.748 13.289) 14.240 5.041 ( 4.810 1.748 13.289) 14.240 5.259 ( -7.182 -0.876 4.190) 8.361 5.259 ( 7.182 -0.876 4.190) 8.361 5.984 ( -1.742 -7.259 -5.768) 9.434 5.984 ( 1.742 -7.259 -5.768) 9.434 6.379 ( -2.121 5.749 1.456) 6.298 6.379 ( 2.121 5.749 1.456) 6.298 6.472 ( -1.807 -0.626 -0.521) 1.982 6.472 ( 1.807 -0.626 -0.521) 1.982 6.675 ( -2.262 1.290 -0.950) 2.772 6.675 ( 2.262 1.290 -0.950) 2.772 7.073 ( -1.175 2.721 -3.073) 4.270 7.073 ( 1.175 2.721 -3.073) 4.270 7.258 ( -1.637 3.162 -7.976) 8.735 7.258 ( 1.637 3.162 -7.976) 8.735 8.364 ( -1.179 -7.781 3.174) 8.486 8.364 ( 1.179 -7.781 3.174) 8.486 8.441 ( -5.135 -8.233 1.334) 9.795 8.441 ( 5.135 -8.233 1.334) 9.795 8.649 ( -3.248 1.648 1.204) 3.836 8.649 ( 3.248 1.648 1.204) 3.836 8.906 ( -1.242 -6.791 0.823) 6.953 8.906 ( 1.242 -6.791 0.823) 6.953 9.110 ( -1.392 1.644 -6.449) 6.800 9.110 ( 1.392 1.644 -6.449) 6.800 9.390 ( -2.175 8.976 1.614) 9.376 9.390 ( 2.175 8.976 1.614) 9.376 10.493 ( -0.139 -1.741 -4.874) 5.177 10.493 ( 0.139 -1.741 -4.874) 5.177 11.167 ( -0.112 -0.326 -0.454) 0.570 11.167 ( 0.112 -0.326 -0.454) 0.570 11.463 ( -0.063 0.561 -2.628) 2.688 11.463 ( 0.063 0.561 -2.628) 2.688 11.916 ( -1.298 -5.031 1.181) 5.329 11.916 ( 1.298 -5.031 1.181) 5.329 12.320 ( -4.573 13.262 0.741) 14.048 12.320 ( 4.573 13.262 0.741) 14.048 12.538 ( -2.981 -3.351 -2.505) 5.137 12.538 ( 2.981 -3.351 -2.505) 5.137 13.338 ( -2.824 -0.880 4.732) 5.581 13.338 ( 2.824 -0.880 4.732) 5.581 14.884 ( -7.304 0.330 6.373) 9.699 14.884 ( 7.304 0.330 6.373) 9.699 15.803 ( -2.802 -8.846 -3.895) 10.064 15.803 ( 2.802 -8.846 -3.895) 10.064 18.824 ( -0.232 8.434 0.443) 8.449 18.824 ( 0.232 8.434 0.443) 8.449 18.867 ( -1.189 12.934 -1.650) 13.093 18.867 ( 1.189 12.934 -1.650) 13.093 20.756 ( -4.656 -2.943 3.053) 6.297 20.756 ( 4.656 -2.943 3.053) 6.297 21.075 ( -5.619 -2.967 -4.832) 7.982 21.075 ( 5.619 -2.967 -4.832) 7.982 22.331 ( -3.318 0.791 -1.196) 3.614 22.331 ( 3.318 0.791 -1.196) 3.614 22.527 ( -3.361 -0.824 -1.641) 3.830 22.527 ( 3.361 -0.824 -1.641) 3.830 23.910 ( -1.195 0.102 7.557) 7.651 23.910 ( 1.195 0.102 7.557) 7.651 24.370 ( -4.227 -4.482 -4.067) 7.382 24.370 ( 4.227 -4.482 -4.067) 7.382 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.000 6.826 16.140) 17.524 2.251 ( 0.000 10.496 15.560) 18.769 2.594 ( 0.000 6.852 2.673) 7.355 2.697 ( 0.000 13.198 -1.527) 13.286 2.755 ( 0.000 10.273 2.511) 10.575 2.848 ( 0.000 2.042 2.481) 3.213 2.886 ( 0.000 3.151 -7.025) 7.699 3.043 ( 0.000 0.481 -8.686) 8.699 3.084 ( 0.000 8.933 2.830) 9.371 3.232 ( 0.000 10.938 1.525) 11.044 3.243 ( 0.000 13.225 0.695) 13.243 3.374 ( 0.000 16.856 -6.702) 18.139 3.584 ( 0.000 -3.315 0.373) 3.336 3.619 ( 0.000 1.373 1.133) 1.780 4.087 ( 0.000 -4.062 -2.310) 4.674 4.108 ( 0.000 -3.466 -4.507) 5.686 4.188 ( 0.000 -4.868 6.829) 8.387 4.555 ( 0.000 -2.380 -8.136) 8.477 4.636 ( 0.000 -3.660 1.521) 3.963 4.748 ( 0.000 -6.333 2.124) 6.680 5.016 ( 0.000 9.571 -3.464) 10.178 5.032 ( 0.000 10.150 2.708) 10.505 5.067 ( 0.000 -0.052 -5.093) 5.093 5.103 ( 0.000 0.723 10.197) 10.223 5.125 ( 0.000 -4.241 1.070) 4.374 5.491 ( 0.000 -5.798 1.782) 6.065 5.750 ( 0.000 -6.018 -1.206) 6.138 5.883 ( 0.000 -3.802 -9.550) 10.278 6.185 ( 0.000 -3.273 3.278) 4.632 6.379 ( 0.000 -5.933 -6.176) 8.564 6.517 ( 0.000 2.935 1.335) 3.225 6.589 ( 0.000 2.275 2.517) 3.393 6.702 ( 0.000 5.823 -5.466) 7.986 6.786 ( 0.000 5.101 -8.251) 9.701 7.110 ( 0.000 6.721 4.975) 8.362 7.145 ( 0.000 3.960 1.184) 4.133 7.330 ( 0.000 4.207 -5.964) 7.299 7.372 ( 0.000 4.673 -5.724) 7.389 8.074 ( 0.000 -16.059 3.337) 16.403 8.110 ( 0.000 -15.761 1.922) 15.878 8.327 ( 0.000 -2.186 -1.009) 2.407 8.380 ( 0.000 -5.901 -3.103) 6.667 8.613 ( 0.000 4.489 5.236) 6.897 8.706 ( 0.000 -5.293 -1.151) 5.417 8.706 ( 0.000 -5.655 2.888) 6.350 8.886 ( 0.000 4.983 -2.290) 5.484 9.128 ( 0.000 -0.194 -1.736) 1.747 9.200 ( 0.000 2.727 -2.699) 3.837 9.498 ( 0.000 9.120 2.429) 9.438 9.617 ( 0.000 8.730 -0.832) 8.769 10.328 ( 0.000 -8.726 -2.692) 9.132 10.426 ( 0.000 -5.180 -6.657) 8.435 11.144 ( 0.000 2.898 -0.742) 2.991 11.154 ( 0.000 4.005 -1.279) 4.204 11.550 ( 0.000 -2.713 -2.730) 3.849 11.584 ( 0.000 -4.408 -3.043) 5.357 11.815 ( 0.000 -1.906 3.609) 4.081 11.925 ( 0.000 3.440 -0.386) 3.461 12.207 ( 0.000 4.449 1.050) 4.571 12.288 ( 0.000 0.649 -3.017) 3.086 12.631 ( 0.000 -0.315 0.346) 0.468 12.669 ( 0.000 4.945 -0.652) 4.987 13.349 ( 0.000 3.081 7.570) 8.173 13.504 ( 0.000 1.755 0.056) 1.756 14.711 ( 0.000 2.323 11.079) 11.320 15.035 ( 0.000 -3.814 -5.276) 6.510 15.509 ( 0.000 -10.965 5.052) 12.073 15.676 ( 0.000 -11.741 -4.157) 12.456 19.039 ( 0.000 12.894 0.460) 12.902 19.058 ( 0.000 13.410 -0.317) 13.414 19.115 ( 0.000 15.457 0.327) 15.460 19.261 ( 0.000 17.707 -8.150) 19.493 20.503 ( 0.000 -5.170 1.801) 5.475 20.580 ( 0.000 -4.842 -1.886) 5.197 21.086 ( 0.000 -3.638 -0.267) 3.648 21.151 ( 0.000 -5.674 -2.801) 6.328 22.206 ( 0.000 0.599 0.744) 0.955 22.242 ( 0.000 -0.006 -1.170) 1.170 22.687 ( 0.000 -0.144 -0.147) 0.206 22.745 ( 0.000 -1.336 -3.411) 3.663 23.923 ( 0.000 -1.104 8.523) 8.594 23.980 ( 0.000 -0.283 5.859) 5.866 23.994 ( 0.000 -2.910 2.514) 3.846 24.260 ( 0.000 -6.917 -6.179) 9.275 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 3.705 4.459 12.404) 13.692 2.297 ( 3.805 9.433 13.258) 16.710 2.508 ( -5.791 6.404 3.839) 9.449 2.641 ( -8.172 4.502 1.705) 9.484 2.724 ( -2.116 4.753 0.390) 5.217 2.745 ( -2.627 8.297 -2.388) 9.025 2.839 ( -6.501 6.017 -4.481) 9.927 2.931 ( -6.124 9.887 -3.816) 12.240 3.100 ( 6.398 11.593 -0.759) 13.263 3.250 ( 1.032 15.231 -7.549) 17.031 3.407 ( 6.359 10.510 5.301) 13.379 3.476 ( 4.665 6.056 -1.263) 7.749 3.568 ( 1.073 -0.436 4.599) 4.742 3.648 ( 1.690 -0.215 -0.232) 1.720 4.114 ( 2.264 -3.153 -3.529) 5.246 4.142 ( 1.594 -4.215 -3.611) 5.775 4.272 ( 7.110 -3.889 3.496) 8.826 4.528 ( -2.795 -3.103 -5.689) 7.058 4.639 ( 0.179 -4.056 1.550) 4.346 4.687 ( -3.621 -5.110 2.070) 6.596 4.982 ( -2.322 5.876 -4.864) 7.973 5.015 ( -3.159 6.963 -0.947) 7.704 5.059 ( -0.167 4.217 11.988) 12.709 5.128 ( -0.780 -1.311 6.950) 7.115 5.136 ( 4.596 2.292 -4.959) 7.139 5.399 ( -6.635 -2.808 0.871) 7.257 5.785 ( 2.597 -6.337 -3.229) 7.571 5.872 ( -0.807 -5.332 -7.577) 9.300 6.259 ( 4.900 -3.984 0.293) 6.322 6.375 ( -0.357 -4.905 -5.004) 7.017 6.513 ( 0.416 3.009 0.212) 3.045 6.645 ( 3.033 0.721 0.543) 3.165 6.658 ( -2.246 8.341 -3.906) 9.480 6.805 ( 0.139 6.789 -4.244) 8.008 7.080 ( -0.884 3.542 3.587) 5.118 7.150 ( -0.498 3.491 1.834) 3.975 7.329 ( 0.179 4.622 -6.669) 8.116 7.365 ( -0.441 4.242 -6.551) 7.817 8.080 ( 0.420 -16.512 2.951) 16.779 8.104 ( -0.371 -16.554 1.910) 16.668 8.306 ( -0.497 -2.097 0.435) 2.199 8.386 ( -1.112 -5.484 -2.686) 6.207 8.612 ( 0.475 0.319 2.872) 2.928 8.678 ( -1.624 -4.400 -0.461) 4.713 8.756 ( 3.653 -1.766 3.079) 5.094 8.895 ( -0.030 4.061 -0.233) 4.068 9.116 ( -0.454 -0.010 -2.628) 2.667 9.181 ( -1.681 1.919 -3.145) 4.049 9.519 ( 1.735 8.843 1.524) 9.139 9.603 ( -1.260 8.596 -0.670) 8.713 10.359 ( 2.404 -8.252 -3.425) 9.252 10.429 ( -0.030 -5.646 -6.240) 8.415 11.155 ( 0.962 2.263 -0.697) 2.556 11.165 ( 0.799 2.851 -1.138) 3.172 11.502 ( -3.319 -2.262 -2.547) 4.756 11.522 ( -4.219 -2.994 -2.488) 5.741 11.841 ( 1.816 -0.166 2.483) 3.081 11.905 ( -1.196 2.291 0.352) 2.608 12.322 ( 7.974 3.792 -0.906) 8.876 12.355 ( 5.055 -2.009 -2.576) 6.019 12.600 ( -1.980 2.104 1.498) 3.254 12.667 ( -1.001 8.788 -1.552) 8.980 13.308 ( -2.524 0.275 7.391) 7.815 13.428 ( -5.911 0.093 1.391) 6.073 14.774 ( 5.131 2.703 9.700) 11.302 15.006 ( -2.869 -1.164 -1.235) 3.333 15.526 ( 1.683 -11.859 2.190) 12.177 15.649 ( -2.334 -11.984 -3.852) 12.802 19.039 ( 0.026 12.860 0.503) 12.870 19.050 ( -0.481 13.141 0.217) 13.152 19.136 ( 1.652 15.863 -1.011) 15.981 19.234 ( -2.089 17.354 -6.565) 18.672 20.557 ( 4.766 -4.560 2.409) 7.022 20.653 ( 5.129 -5.014 -1.873) 7.412 21.006 ( -5.112 -4.188 0.305) 6.615 21.112 ( -4.257 -5.887 -4.483) 8.537 22.245 ( 3.818 0.949 0.617) 3.982 22.293 ( 4.169 0.136 -2.019) 4.634 22.602 ( -6.670 -0.236 -0.098) 6.675 22.656 ( -7.045 -1.272 -3.116) 7.808 23.905 ( -0.270 0.398 7.818) 7.833 23.934 ( -0.720 -0.053 5.516) 5.563 24.136 ( 6.915 -4.628 1.703) 8.493 24.277 ( 0.671 -7.177 -4.537) 8.517 ======================= Grid point 192 (69/90) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -5.606 3.440 6.376) 9.161 2.364 ( 5.606 3.440 6.376) 9.161 2.440 ( -8.162 7.118 8.116) 13.533 2.440 ( 8.162 7.118 8.116) 13.533 2.675 ( -1.234 0.554 -3.845) 4.076 2.675 ( 1.234 0.554 -3.845) 4.076 2.834 ( -2.768 13.619 -2.854) 14.187 2.834 ( 2.768 13.619 -2.854) 14.187 3.224 ( -3.537 16.238 -3.567) 16.997 3.224 ( 3.537 16.238 -3.567) 16.997 3.485 ( -1.870 4.067 4.046) 6.034 3.485 ( 1.870 4.067 4.046) 6.034 3.649 ( -2.620 0.876 0.970) 2.928 3.649 ( 2.620 0.876 0.970) 2.928 4.156 ( -0.888 -3.651 -3.131) 4.891 4.156 ( 0.888 -3.651 -3.131) 4.891 4.431 ( -5.868 -3.471 -1.219) 6.925 4.431 ( 5.868 -3.471 -1.219) 6.925 4.641 ( -0.748 -4.612 1.223) 4.829 4.641 ( 0.748 -4.612 1.223) 4.829 4.953 ( -0.689 5.602 -1.697) 5.894 4.953 ( 0.689 5.602 -1.697) 5.894 5.088 ( -2.266 3.723 10.560) 11.424 5.088 ( 2.266 3.723 10.560) 11.424 5.255 ( -5.865 1.033 -3.356) 6.836 5.255 ( 5.865 1.033 -3.356) 6.836 5.842 ( -2.076 -6.878 -5.514) 9.057 5.842 ( 2.076 -6.878 -5.514) 9.057 6.347 ( -2.586 -3.685 -2.493) 5.146 6.347 ( 2.586 -3.685 -2.493) 5.146 6.562 ( -3.960 3.641 -3.422) 6.376 6.562 ( 3.960 3.641 -3.422) 6.376 6.753 ( -4.339 6.764 1.229) 8.129 6.753 ( 4.339 6.764 1.229) 8.129 7.108 ( -2.678 1.670 1.322) 3.422 7.108 ( 2.678 1.670 1.322) 3.422 7.348 ( -1.174 4.692 -6.932) 8.453 7.348 ( 1.174 4.692 -6.932) 8.453 8.092 ( -0.687 -17.480 2.212) 17.633 8.092 ( 0.687 -17.480 2.212) 17.633 8.332 ( -2.638 -2.963 0.034) 3.968 8.332 ( 2.638 -2.963 0.034) 3.968 8.639 ( -1.716 -3.725 -0.179) 4.105 8.639 ( 1.716 -3.725 -0.179) 4.105 8.850 ( -3.906 2.246 3.119) 5.480 8.850 ( 3.906 2.246 3.119) 5.480 9.135 ( -2.016 0.733 -3.844) 4.402 9.135 ( 2.016 0.733 -3.844) 4.402 9.564 ( -2.046 8.504 0.096) 8.747 9.564 ( 2.046 8.504 0.096) 8.747 10.411 ( -1.755 -6.953 -5.008) 8.747 10.411 ( 1.755 -6.953 -5.008) 8.747 11.174 ( -0.344 1.375 -0.774) 1.615 11.174 ( 0.344 1.375 -0.774) 1.615 11.459 ( -0.483 -1.526 -2.424) 2.905 11.459 ( 0.483 -1.526 -2.424) 2.905 11.878 ( -1.375 1.585 1.288) 2.462 11.878 ( 1.375 1.585 1.288) 2.462 12.438 ( -1.161 -6.073 -2.932) 6.843 12.438 ( 1.161 -6.073 -2.932) 6.843 12.604 ( -3.644 14.225 0.768) 14.704 12.604 ( 3.644 14.225 0.768) 14.704 13.306 ( -3.323 -2.453 4.865) 6.382 13.306 ( 3.323 -2.453 4.865) 6.382 14.905 ( -5.804 2.129 5.581) 8.329 14.905 ( 5.804 2.129 5.581) 8.329 15.583 ( -3.171 -12.398 -2.104) 12.969 15.583 ( 3.171 -12.398 -2.104) 12.969 19.042 ( -0.229 12.874 0.522) 12.886 19.042 ( 0.229 12.874 0.522) 12.886 19.182 ( -2.379 16.619 -3.573) 17.165 19.182 ( 2.379 16.619 -3.573) 17.165 20.681 ( -4.400 -4.074 2.239) 6.400 20.681 ( 4.400 -4.074 2.239) 6.400 20.987 ( -4.880 -5.897 -4.236) 8.749 20.987 ( 4.880 -5.897 -4.236) 8.749 22.354 ( -3.205 1.492 -1.182) 3.728 22.354 ( 3.205 1.492 -1.182) 3.728 22.504 ( -3.190 -1.479 -1.494) 3.821 22.504 ( 3.190 -1.479 -1.494) 3.821 23.918 ( -0.857 0.807 6.653) 6.757 23.918 ( 0.857 0.807 6.653) 6.757 24.254 ( -3.155 -6.672 -1.488) 7.529 24.254 ( 3.155 -6.672 -1.488) 7.529 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 0.000 8.907 11.810) 14.793 2.442 ( 0.000 8.718 10.800) 13.879 2.692 ( 0.000 0.354 3.316) 3.335 2.759 ( 0.000 -0.289 0.922) 0.966 2.806 ( 0.000 -7.429 0.003) 7.429 2.866 ( 0.000 2.609 -4.840) 5.498 2.998 ( 0.000 6.438 2.453) 6.890 3.068 ( 0.000 1.466 -2.245) 2.681 3.277 ( 0.000 9.130 1.785) 9.303 3.414 ( 0.000 3.317 -1.150) 3.511 3.485 ( 0.000 10.493 2.758) 10.849 3.604 ( 0.000 4.160 -2.506) 4.857 3.733 ( 0.000 18.103 -3.792) 18.496 3.745 ( 0.000 8.273 -1.430) 8.396 3.996 ( 0.000 -4.407 -1.339) 4.606 4.050 ( 0.000 -0.273 -5.006) 5.014 4.160 ( 0.000 3.461 10.499) 11.055 4.486 ( 0.000 -5.653 -1.156) 5.770 4.499 ( 0.000 -9.015 2.117) 9.260 4.546 ( 0.000 -12.645 2.778) 12.946 5.026 ( 0.000 -1.561 -0.967) 1.837 5.048 ( 0.000 -3.063 -0.786) 3.162 5.114 ( 0.000 1.439 6.850) 6.999 5.185 ( 0.000 3.874 0.927) 3.984 5.295 ( 0.000 11.585 -6.511) 13.290 5.426 ( 0.000 0.567 -7.505) 7.526 5.693 ( 0.000 -0.142 -3.569) 3.572 5.799 ( 0.000 -4.497 -5.900) 7.418 6.164 ( 0.000 1.705 -0.186) 1.715 6.279 ( 0.000 -3.244 -7.108) 7.813 6.549 ( 0.000 -0.101 2.718) 2.720 6.584 ( 0.000 -2.064 0.720) 2.186 6.807 ( 0.000 4.924 -4.749) 6.841 6.870 ( 0.000 3.389 -8.349) 9.010 7.230 ( 0.000 3.816 3.150) 4.948 7.250 ( 0.000 6.065 4.864) 7.774 7.353 ( 0.000 -2.392 -2.995) 3.833 7.428 ( 0.000 -0.514 -3.352) 3.392 7.790 ( 0.000 -10.149 1.302) 10.232 7.807 ( 0.000 -11.988 -0.192) 11.990 8.302 ( 0.000 -1.636 -0.931) 1.883 8.310 ( 0.000 0.322 -1.269) 1.309 8.557 ( 0.000 -5.186 1.356) 5.360 8.594 ( 0.000 -5.387 -0.538) 5.414 8.780 ( 0.000 7.847 5.776) 9.743 8.974 ( 0.000 1.431 -3.557) 3.834 9.140 ( 0.000 2.618 3.043) 4.014 9.237 ( 0.000 0.627 -0.837) 1.046 9.684 ( 0.000 9.781 0.303) 9.786 9.795 ( 0.000 9.392 -2.540) 9.729 10.134 ( 0.000 -10.389 -1.927) 10.566 10.266 ( 0.000 -10.553 -6.934) 12.627 11.211 ( 0.000 3.885 -0.428) 3.909 11.240 ( 0.000 4.406 -2.035) 4.854 11.467 ( 0.000 -6.215 -0.282) 6.222 11.475 ( 0.000 -4.439 -2.192) 4.950 11.843 ( 0.000 3.635 0.095) 3.636 11.968 ( 0.000 0.077 -4.563) 4.563 12.282 ( 0.000 2.773 -0.847) 2.899 12.301 ( 0.000 0.774 -1.865) 2.019 12.639 ( 0.000 1.287 4.521) 4.701 12.712 ( 0.000 -0.372 1.891) 1.927 13.438 ( 0.000 5.173 4.452) 6.825 13.534 ( 0.000 0.858 0.494) 0.990 14.771 ( 0.000 3.674 7.457) 8.313 14.949 ( 0.000 -4.685 -1.549) 4.935 15.341 ( 0.000 -5.161 4.218) 6.665 15.454 ( 0.000 -9.741 -2.006) 9.946 19.306 ( 0.000 13.077 -0.278) 13.080 19.319 ( 0.000 11.629 -0.414) 11.636 19.387 ( 0.000 10.283 0.055) 10.283 19.526 ( 0.000 7.196 -7.995) 10.757 20.418 ( 0.000 -2.389 0.569) 2.456 20.483 ( 0.000 -4.383 -2.368) 4.982 21.005 ( 0.000 -3.991 -1.271) 4.189 21.031 ( 0.000 -5.728 -1.990) 6.063 22.219 ( 0.000 0.662 0.336) 0.743 22.239 ( 0.000 -0.288 -0.768) 0.821 22.688 ( 0.000 0.245 -0.817) 0.853 22.718 ( 0.000 -1.250 -2.583) 2.870 23.905 ( 0.000 -0.492 7.196) 7.212 23.940 ( 0.000 -2.290 4.402) 4.962 23.988 ( 0.000 1.275 4.034) 4.231 24.130 ( 0.000 -5.849 -2.069) 6.204 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.174 6.214 8.182) 10.275 2.461 ( 1.492 6.671 7.201) 9.929 2.610 ( -5.791 1.039 1.536) 6.080 2.644 ( -5.861 2.169 0.285) 6.256 2.779 ( -5.415 -1.889 -2.137) 6.120 2.824 ( -6.917 3.665 0.960) 7.887 2.933 ( -2.565 0.053 0.601) 2.635 2.955 ( -3.837 -5.262 -0.485) 6.530 3.346 ( 6.931 12.485 2.467) 14.491 3.510 ( 7.220 5.579 -4.738) 10.281 3.556 ( 1.179 11.214 5.248) 12.437 3.694 ( 5.603 6.187 2.402) 8.686 3.730 ( -1.660 10.818 -2.660) 11.264 3.774 ( 3.483 15.714 0.819) 16.117 4.060 ( 2.452 -0.336 -3.186) 4.034 4.094 ( 3.800 0.185 -3.709) 5.313 4.192 ( 4.076 -3.123 8.051) 9.549 4.441 ( -3.386 -6.968 1.437) 7.879 4.491 ( -1.210 -9.238 0.419) 9.327 4.513 ( -2.210 -11.197 1.059) 11.462 5.012 ( -0.606 -0.323 0.286) 0.744 5.058 ( -0.467 -0.007 2.892) 2.929 5.096 ( -0.319 -0.725 0.828) 1.146 5.181 ( -1.010 1.614 3.032) 3.581 5.320 ( 2.154 11.578 -6.204) 13.310 5.405 ( -1.359 5.120 -7.413) 9.111 5.698 ( 0.269 -2.727 -5.195) 5.873 5.761 ( -2.638 -5.636 -5.615) 8.382 6.228 ( 4.734 1.137 -1.103) 4.992 6.299 ( 1.910 -1.836 -5.427) 6.039 6.534 ( -1.145 -0.952 0.000) 1.489 6.603 ( -0.322 -4.205 -2.199) 4.756 6.817 ( 2.502 7.616 -1.653) 8.185 6.930 ( 4.264 5.048 -5.811) 8.799 7.177 ( -5.321 5.618 6.217) 9.927 7.230 ( -1.137 4.111 3.718) 5.658 7.378 ( 2.151 -1.033 -3.743) 4.439 7.411 ( -0.685 -0.093 -4.779) 4.829 7.766 ( -1.961 -12.824 0.917) 13.005 7.774 ( -2.498 -14.423 -0.015) 14.638 8.293 ( 0.464 0.851 0.313) 1.019 8.336 ( 0.851 0.223 -1.756) 1.964 8.531 ( -1.574 -5.349 1.333) 5.733 8.574 ( -1.740 -5.626 -0.922) 5.960 8.838 ( 4.619 7.022 5.017) 9.788 8.996 ( 1.120 3.574 -2.056) 4.273 9.111 ( -1.782 0.654 2.637) 3.249 9.204 ( -2.786 -0.010 -0.751) 2.886 9.701 ( 1.505 9.818 -0.498) 9.946 9.781 ( -1.239 9.723 -2.613) 10.144 10.162 ( 2.253 -11.176 -2.578) 11.689 10.257 ( -0.976 -11.186 -6.268) 12.859 11.214 ( 0.334 3.642 -0.603) 3.706 11.235 ( -0.365 3.969 -1.766) 4.359 11.431 ( -2.413 -5.130 -0.901) 5.740 11.437 ( -2.670 -4.143 -2.012) 5.323 11.895 ( 3.851 4.803 0.062) 6.156 11.977 ( 0.636 3.666 -2.623) 4.552 12.285 ( 0.167 -3.947 -1.809) 4.345 12.317 ( -0.040 -3.006 -3.201) 4.391 12.702 ( 6.650 6.519 5.445) 10.787 12.801 ( 6.650 3.748 0.603) 7.657 13.332 ( -8.077 2.213 5.240) 9.879 13.421 ( -8.977 -0.963 1.336) 9.127 14.848 ( 5.986 4.666 6.656) 10.095 14.991 ( 2.460 -0.563 -0.402) 2.555 15.319 ( -1.261 -7.875 3.422) 8.678 15.417 ( -3.103 -10.498 -1.749) 11.085 19.303 ( -0.182 12.764 -0.159) 12.766 19.310 ( -0.527 11.925 -0.132) 11.937 19.407 ( 1.579 9.726 -1.150) 9.920 19.501 ( -2.003 7.641 -6.489) 10.222 20.486 ( 5.714 -1.668 0.861) 6.015 20.560 ( 5.964 -3.911 -2.475) 7.549 20.915 ( -6.379 -4.282 -0.230) 7.687 20.981 ( -5.074 -6.751 -3.419) 9.111 22.265 ( 4.308 1.013 0.113) 4.427 22.292 ( 4.566 -0.235 -1.380) 4.776 22.601 ( -6.947 0.174 -0.747) 6.989 22.630 ( -7.041 -1.207 -2.407) 7.538 23.920 ( 1.379 1.085 6.518) 6.750 23.945 ( 0.557 1.164 4.491) 4.673 24.050 ( 3.969 -3.526 3.240) 6.220 24.138 ( 0.296 -6.331 -0.934) 6.406 ======================= Grid point 197 (72/90) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -6.640 3.946 2.416) 8.093 2.434 ( 6.640 3.946 2.416) 8.093 2.538 ( -4.412 1.777 -0.449) 4.777 2.538 ( 4.412 1.777 -0.449) 4.777 2.697 ( -1.820 2.563 4.145) 5.202 2.697 ( 1.820 2.563 4.145) 5.202 2.922 ( -0.533 -4.011 -0.874) 4.140 2.922 ( 0.533 -4.011 -0.874) 4.140 3.499 ( -5.235 11.977 4.771) 13.915 3.499 ( 5.235 11.977 4.771) 13.915 3.656 ( -4.751 9.144 -4.113) 11.096 3.656 ( 4.751 9.144 -4.113) 11.096 3.800 ( -2.559 12.105 3.522) 12.864 3.800 ( 2.559 12.105 3.522) 12.864 4.107 ( -1.903 0.917 -0.251) 2.127 4.107 ( 1.903 0.917 -0.251) 2.127 4.338 ( -6.381 -6.884 1.678) 9.535 4.338 ( 6.381 -6.884 1.678) 9.535 4.474 ( -0.703 -10.701 -0.207) 10.726 4.474 ( 0.703 -10.701 -0.207) 10.726 5.020 ( -1.490 2.080 3.095) 4.016 5.020 ( 1.490 2.080 3.095) 4.016 5.133 ( -2.676 -1.450 0.520) 3.087 5.133 ( 2.676 -1.450 0.520) 3.087 5.372 ( -1.955 10.568 -5.952) 12.285 5.372 ( 1.955 10.568 -5.952) 12.285 5.712 ( -1.399 -6.360 -6.247) 9.024 5.712 ( 1.399 -6.360 -6.247) 9.024 6.318 ( -1.953 1.534 -2.180) 3.304 6.318 ( 1.953 1.534 -2.180) 3.304 6.543 ( -3.031 -4.900 -4.400) 7.250 6.543 ( 3.031 -4.900 -4.400) 7.250 6.930 ( -5.575 10.240 1.176) 11.718 6.930 ( 5.575 10.240 1.176) 11.718 7.152 ( -4.309 1.898 2.548) 5.354 7.152 ( 4.309 1.898 2.548) 5.354 7.415 ( -0.282 2.101 -4.174) 4.681 7.415 ( 0.282 2.101 -4.174) 4.681 7.734 ( -0.138 -17.195 0.354) 17.199 7.734 ( 0.138 -17.195 0.354) 17.199 8.324 ( -1.758 2.192 -0.050) 2.811 8.324 ( 1.758 2.192 -0.050) 2.811 8.529 ( -1.606 -6.331 -0.344) 6.540 8.529 ( 1.606 -6.331 -0.344) 6.540 8.953 ( -4.761 6.564 3.262) 8.740 8.953 ( 4.761 6.564 3.262) 8.740 9.130 ( -3.190 -1.413 -0.599) 3.540 9.130 ( 3.190 -1.413 -0.599) 3.540 9.743 ( -1.990 9.922 -1.934) 10.302 9.743 ( 1.990 9.922 -1.934) 10.302 10.218 ( -2.410 -11.873 -4.451) 12.907 10.218 ( 2.410 -11.873 -4.451) 12.907 11.225 ( -0.562 3.585 -1.081) 3.786 11.225 ( 0.562 3.585 -1.081) 3.786 11.399 ( -0.140 -4.154 -1.693) 4.488 11.399 ( 0.140 -4.154 -1.693) 4.488 11.969 ( -1.989 6.920 -0.507) 7.218 11.969 ( 1.989 6.920 -0.507) 7.218 12.295 ( -1.040 -8.031 -2.947) 8.618 12.295 ( 1.040 -8.031 -2.947) 8.618 12.874 ( -4.560 12.529 1.886) 13.466 12.874 ( 4.560 12.529 1.886) 13.466 13.232 ( -3.965 -5.276 4.452) 7.961 13.232 ( 3.965 -5.276 4.452) 7.961 14.979 ( -4.250 5.464 4.038) 8.014 14.979 ( 4.250 5.464 4.038) 8.014 15.337 ( -3.165 -11.891 -0.131) 12.306 15.337 ( 3.165 -11.891 -0.131) 12.306 19.302 ( -0.142 12.310 -0.029) 12.311 19.302 ( 0.142 12.310 -0.029) 12.311 19.451 ( -2.244 8.656 -3.625) 9.649 19.451 ( 2.244 8.656 -3.625) 9.649 20.627 ( -4.128 -0.325 0.644) 4.191 20.627 ( 4.128 -0.325 0.644) 4.191 20.846 ( -4.157 -8.030 -3.337) 9.638 20.846 ( 4.157 -8.030 -3.337) 9.638 22.389 ( -3.074 1.957 -1.189) 3.833 22.389 ( 3.074 1.957 -1.189) 3.833 22.470 ( -3.040 -1.907 -1.340) 3.831 22.470 ( 3.040 -1.907 -1.340) 3.831 23.948 ( -0.635 2.334 5.302) 5.828 23.948 ( 0.635 2.334 5.302) 5.828 24.122 ( -2.039 -6.268 1.255) 6.709 24.122 ( 2.039 -6.268 1.255) 6.709 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 0.000 -5.236 7.738) 9.343 2.534 ( 0.000 5.236 7.738) 9.343 2.654 ( 0.000 -5.511 4.450) 7.083 2.654 ( 0.000 5.511 4.450) 7.083 2.837 ( 0.000 -4.140 -1.993) 4.594 2.837 ( 0.000 4.140 -1.993) 4.594 3.067 ( 0.000 -1.552 1.316) 2.035 3.067 ( 0.000 1.552 1.316) 2.035 3.421 ( 0.000 -3.873 -1.992) 4.355 3.421 ( 0.000 3.873 -1.992) 4.355 3.613 ( 0.000 -1.955 -0.690) 2.073 3.613 ( 0.000 1.955 -0.690) 2.073 3.867 ( 0.000 -5.816 2.765) 6.440 3.867 ( 0.000 5.816 2.765) 6.440 4.059 ( 0.000 -7.320 -6.255) 9.628 4.059 ( 0.000 7.320 -6.255) 9.628 4.324 ( 0.000 -10.236 6.228) 11.981 4.324 ( 0.000 10.236 6.228) 11.981 4.354 ( 0.000 -0.447 3.914) 3.940 4.354 ( 0.000 0.447 3.914) 3.940 5.013 ( 0.000 -0.434 -2.783) 2.817 5.013 ( 0.000 0.434 -2.783) 2.817 5.164 ( 0.000 -3.234 2.781) 4.265 5.164 ( 0.000 3.234 2.781) 4.265 5.444 ( 0.000 -2.436 -9.275) 9.590 5.444 ( 0.000 2.436 -9.275) 9.590 5.721 ( 0.000 -2.804 -3.222) 4.271 5.721 ( 0.000 2.804 -3.222) 4.271 6.230 ( 0.000 -3.152 -5.193) 6.075 6.230 ( 0.000 3.152 -5.193) 6.075 6.543 ( 0.000 -0.855 2.946) 3.068 6.543 ( 0.000 0.855 2.946) 3.068 6.891 ( 0.000 -2.301 -5.564) 6.021 6.891 ( 0.000 2.301 -5.564) 6.021 7.273 ( 0.000 -1.482 -1.675) 2.236 7.273 ( 0.000 1.482 -1.675) 2.236 7.360 ( 0.000 -4.006 2.836) 4.908 7.360 ( 0.000 4.006 2.836) 4.908 7.698 ( 0.000 -0.028 -0.807) 0.807 7.698 ( 0.000 0.028 -0.807) 0.807 8.307 ( 0.000 -1.128 -0.273) 1.161 8.307 ( 0.000 1.128 -0.273) 1.161 8.514 ( 0.000 -1.634 0.282) 1.658 8.514 ( 0.000 1.634 0.282) 1.658 8.921 ( 0.000 -5.647 1.894) 5.956 8.921 ( 0.000 5.647 1.894) 5.956 9.214 ( 0.000 -3.083 1.335) 3.359 9.214 ( 0.000 3.083 1.335) 3.359 9.882 ( 0.000 -8.465 -0.177) 8.467 9.882 ( 0.000 8.465 -0.177) 8.467 10.045 ( 0.000 -9.340 -6.043) 11.125 10.045 ( 0.000 9.340 -6.043) 11.125 11.285 ( 0.000 -2.070 -1.147) 2.367 11.285 ( 0.000 2.070 -1.147) 2.367 11.399 ( 0.000 -1.573 -1.009) 1.869 11.399 ( 0.000 1.573 -1.009) 1.869 11.925 ( 0.000 -3.877 -3.540) 5.250 11.925 ( 0.000 3.877 -3.540) 5.250 12.311 ( 0.000 -0.162 -1.958) 1.965 12.311 ( 0.000 0.162 -1.958) 1.965 12.678 ( 0.000 -2.329 5.175) 5.675 12.678 ( 0.000 2.329 5.175) 5.675 13.520 ( 0.000 -2.542 1.719) 3.069 13.520 ( 0.000 2.542 1.719) 3.069 14.854 ( 0.000 -4.650 3.000) 5.533 14.854 ( 0.000 4.650 3.000) 5.533 15.320 ( 0.000 -3.111 1.202) 3.335 15.320 ( 0.000 3.111 1.202) 3.335 19.470 ( 0.000 -2.218 -0.257) 2.233 19.470 ( 0.000 2.218 -0.257) 2.233 19.520 ( 0.000 -6.863 -3.381) 7.651 19.520 ( 0.000 6.863 -3.381) 7.651 20.419 ( 0.000 -1.968 -1.971) 2.785 20.419 ( 0.000 1.968 -1.971) 2.785 20.961 ( 0.000 -0.471 -1.629) 1.696 20.961 ( 0.000 0.471 -1.629) 1.696 22.231 ( 0.000 -0.546 -0.222) 0.589 22.231 ( 0.000 0.546 -0.222) 0.589 22.698 ( 0.000 -0.791 -1.664) 1.842 22.698 ( 0.000 0.791 -1.664) 1.842 23.908 ( 0.000 -0.844 5.931) 5.991 23.908 ( 0.000 0.844 5.931) 5.991 24.036 ( 0.000 -3.564 1.352) 3.811 24.036 ( 0.000 3.564 1.352) 3.811 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -2.522 -5.037 3.814) 6.803 2.473 ( -2.522 5.037 3.814) 6.803 2.654 ( -2.187 -4.885 0.753) 5.405 2.654 ( -2.187 4.885 0.753) 5.405 2.801 ( -3.071 -5.900 1.627) 6.848 2.801 ( -3.071 5.900 1.627) 6.848 2.899 ( -8.530 -2.017 1.589) 8.908 2.899 ( -8.530 2.017 1.589) 8.908 3.536 ( 7.998 -4.682 -1.002) 9.322 3.536 ( 7.998 4.682 -1.002) 9.322 3.688 ( 2.977 -2.338 1.452) 4.054 3.688 ( 2.977 2.338 1.452) 4.054 3.964 ( 7.078 -11.511 2.488) 13.741 3.964 ( 7.078 11.511 2.488) 13.741 4.064 ( 0.886 -8.329 -2.160) 8.650 4.064 ( 0.886 8.329 -2.160) 8.650 4.301 ( -2.380 -9.376 3.322) 10.228 4.301 ( -2.380 9.376 3.322) 10.228 4.325 ( -2.120 -2.191 2.763) 4.115 4.325 ( -2.120 2.191 2.763) 4.115 5.025 ( 1.273 -1.768 -2.387) 3.232 5.025 ( 1.273 1.768 -2.387) 3.232 5.137 ( -2.297 -3.578 1.825) 4.627 5.137 ( -2.297 3.578 1.825) 4.627 5.478 ( 3.050 -2.179 -8.337) 9.141 5.478 ( 3.050 2.179 -8.337) 9.141 5.676 ( -3.858 -1.597 -4.345) 6.026 5.676 ( -3.858 1.597 -4.345) 6.026 6.278 ( 4.455 -2.079 -4.098) 6.400 6.278 ( 4.455 2.079 -4.098) 6.400 6.524 ( -2.760 -1.946 0.118) 3.379 6.524 ( -2.760 1.946 0.118) 3.379 6.950 ( 5.595 -4.163 -2.497) 7.407 6.950 ( 5.595 4.163 -2.497) 7.407 7.278 ( -4.438 -2.835 2.824) 5.976 7.278 ( -4.438 2.835 2.824) 5.976 7.344 ( 3.532 -3.740 -1.761) 5.438 7.344 ( 3.532 3.740 -1.761) 5.438 7.632 ( -5.564 -0.668 -1.068) 5.705 7.632 ( -5.564 0.668 -1.068) 5.705 8.334 ( 2.365 -2.085 -0.169) 3.157 8.334 ( 2.365 2.085 -0.169) 3.157 8.484 ( -2.658 -2.096 -0.039) 3.385 8.484 ( -2.658 2.096 -0.039) 3.385 8.967 ( 3.797 -5.090 2.057) 6.675 8.967 ( 3.797 5.090 2.057) 6.675 9.171 ( -3.584 -3.322 1.671) 5.165 9.171 ( -3.584 3.322 1.671) 5.165 9.908 ( 2.193 -8.850 -1.280) 9.207 9.908 ( 2.193 8.850 -1.280) 9.207 10.024 ( -1.849 -9.483 -5.424) 11.080 10.024 ( -1.849 9.483 -5.424) 11.080 11.284 ( 0.242 -1.723 -1.279) 2.160 11.284 ( 0.242 1.723 -1.279) 2.160 11.365 ( -2.574 -1.354 -1.106) 3.111 11.365 ( -2.574 1.354 -1.106) 3.111 11.989 ( 5.252 -3.221 -2.953) 6.832 11.989 ( 5.252 3.221 -2.953) 6.832 12.256 ( -4.528 -1.808 -1.814) 5.202 12.256 ( -4.528 1.808 -1.814) 5.202 12.805 ( 10.370 -3.071 4.427) 11.686 12.805 ( 10.370 3.071 4.427) 11.686 13.385 ( -11.024 -2.574 2.274) 11.547 13.385 ( -11.024 2.574 2.274) 11.547 14.947 ( 7.236 -4.418 2.629) 8.877 14.947 ( 7.236 4.418 2.629) 8.877 15.268 ( -4.607 -3.378 1.437) 5.890 15.268 ( -4.607 3.378 1.437) 5.890 19.473 ( 0.336 -3.189 -0.645) 3.271 19.473 ( 0.336 3.189 -0.645) 3.271 19.508 ( -0.953 -6.218 -2.801) 6.886 19.508 ( -0.953 6.218 -2.801) 6.886 20.500 ( 6.810 -2.324 -1.933) 7.451 20.500 ( 6.810 2.324 -1.933) 7.451 20.882 ( -6.726 -1.991 -1.598) 7.194 20.882 ( -6.726 1.991 -1.598) 7.194 22.283 ( 4.644 -0.720 -0.603) 4.738 22.283 ( 4.644 0.720 -0.603) 4.738 22.610 ( -7.062 -0.756 -1.571) 7.274 22.610 ( -7.062 0.756 -1.571) 7.274 23.948 ( 3.083 -1.442 5.119) 6.147 23.948 ( 3.083 1.442 5.119) 6.147 24.039 ( -0.082 -3.099 2.042) 3.712 24.039 ( -0.082 3.099 2.042) 3.712 ======================= Grid point 204 (75/90) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -6.214 -3.363 -1.268) 7.178 2.512 ( 0.268 -1.293 -1.268) 1.831 2.512 ( -0.268 1.293 -1.268) 1.831 2.512 ( 6.214 3.363 -1.268) 7.178 2.796 ( -2.422 -6.730 3.994) 8.192 2.796 ( 2.416 -6.729 3.994) 8.190 2.796 ( -2.416 6.729 3.994) 8.190 2.796 ( 2.422 6.730 3.994) 8.192 3.681 ( -3.015 -5.769 0.008) 6.509 3.681 ( 1.504 -5.619 0.008) 5.817 3.681 ( -1.504 5.619 0.008) 5.817 3.681 ( 3.015 5.769 0.008) 6.509 4.078 ( -1.992 -13.732 4.676) 14.643 4.078 ( 1.990 -13.732 4.676) 14.642 4.078 ( -1.990 13.732 4.676) 14.642 4.078 ( 1.992 13.732 4.676) 14.643 4.272 ( -1.272 -8.515 -0.567) 8.628 4.272 ( 1.159 -8.511 -0.567) 8.608 4.272 ( -1.159 8.511 -0.567) 8.609 4.272 ( 1.272 8.515 -0.567) 8.628 5.074 ( -2.841 -3.393 -0.532) 4.457 5.074 ( 2.379 -3.303 -0.532) 4.105 5.074 ( -2.379 3.303 -0.532) 4.105 5.074 ( 2.841 3.393 -0.532) 4.457 5.571 ( -2.121 -8.098 -6.325) 10.492 5.571 ( -0.567 -8.033 -6.325) 10.240 5.571 ( 0.567 8.033 -6.325) 10.240 5.571 ( 2.121 8.098 -6.325) 10.492 6.411 ( -4.028 -6.477 -2.712) 8.095 6.411 ( -1.317 -6.191 -2.712) 6.886 6.411 ( 1.317 6.191 -2.712) 6.886 6.411 ( 4.028 6.477 -2.712) 8.095 7.118 ( -7.574 -6.460 1.477) 10.064 7.118 ( 1.651 -5.299 1.477) 5.743 7.118 ( -1.651 5.299 1.477) 5.743 7.118 ( 7.574 6.460 1.477) 10.064 7.480 ( -4.249 -6.176 -1.609) 7.667 7.480 ( -2.450 -5.927 -1.609) 6.612 7.480 ( 2.450 5.927 -1.609) 6.612 7.480 ( 4.249 6.176 -1.609) 7.667 8.407 ( -2.574 -5.447 -0.190) 6.028 8.407 ( 0.496 -5.299 -0.190) 5.325 8.407 ( -0.496 5.299 -0.190) 5.325 8.407 ( 2.574 5.447 -0.190) 6.028 9.070 ( -4.698 -4.602 2.077) 6.896 9.070 ( 2.763 -4.191 2.077) 5.433 9.070 ( -2.763 4.191 2.077) 5.433 9.070 ( 4.698 4.602 2.077) 6.896 9.968 ( -2.307 -12.499 -3.584) 13.206 9.968 ( 2.012 -12.486 -3.584) 13.145 9.968 ( -2.012 12.486 -3.584) 13.145 9.968 ( 2.307 12.499 -3.584) 13.206 11.309 ( -0.939 -4.513 -1.286) 4.785 11.309 ( 0.138 -4.489 -1.286) 4.671 11.309 ( -0.138 4.489 -1.286) 4.671 11.309 ( 0.939 4.513 -1.286) 4.785 12.128 ( -3.648 -8.105 -2.138) 9.142 12.128 ( -0.759 -7.907 -2.138) 8.226 12.128 ( 0.759 7.907 -2.138) 8.226 12.128 ( 3.648 8.105 -2.138) 9.142 13.090 ( -10.693 -7.752 3.326) 13.620 13.090 ( -6.223 -6.418 3.326) 9.538 13.090 ( 6.223 6.418 3.326) 9.538 13.090 ( 10.693 7.752 3.326) 13.620 15.125 ( -5.365 -8.730 1.990) 10.439 15.125 ( 0.022 -8.308 1.990) 8.543 15.125 ( -0.022 8.308 1.990) 8.543 15.125 ( 5.365 8.730 1.990) 10.439 19.486 ( -0.836 -4.855 -1.636) 5.191 19.486 ( 0.832 -4.855 -1.636) 5.190 19.486 ( -0.832 4.855 -1.636) 5.190 19.486 ( 0.836 4.855 -1.636) 5.191 20.691 ( -7.398 -5.778 -1.729) 9.545 20.691 ( -3.127 -4.706 -1.729) 5.908 20.691 ( 3.127 4.706 -1.729) 5.908 20.691 ( 7.398 5.778 -1.729) 9.545 22.430 ( -7.509 -1.440 -1.236) 7.745 22.430 ( -6.964 -0.322 -1.236) 7.080 22.430 ( 6.964 0.322 -1.236) 7.080 22.430 ( 7.509 1.440 -1.236) 7.745 24.015 ( -1.488 -4.326 3.531) 5.779 24.015 ( 0.600 -4.272 3.531) 5.575 24.015 ( -0.600 4.272 3.531) 5.575 24.015 ( 1.488 4.326 3.531) 5.779 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 0.000 0.000 -5.720) 5.720 2.205 ( 0.000 0.000 5.720) 5.720 2.338 ( 0.000 0.000 -9.644) 9.644 2.338 ( 0.000 0.000 9.644) 9.644 2.452 ( 0.000 0.000 -14.206) 14.206 2.452 ( 0.000 0.000 14.206) 14.206 2.644 ( 0.000 0.000 -6.874) 6.874 2.644 ( 0.000 0.000 6.874) 6.874 3.012 ( 0.000 0.000 -6.654) 6.654 3.012 ( 0.000 0.000 6.654) 6.654 3.146 ( 0.000 0.000 -2.748) 2.748 3.146 ( 0.000 0.000 2.748) 2.748 3.720 ( 0.000 0.000 -0.599) 0.599 3.720 ( 0.000 0.000 0.599) 0.599 4.141 ( 0.000 0.000 -1.271) 1.271 4.141 ( 0.000 0.000 1.271) 1.271 4.498 ( 0.000 0.000 -9.671) 9.671 4.498 ( 0.000 0.000 9.671) 9.671 4.589 ( 0.000 0.000 -4.699) 4.699 4.589 ( 0.000 0.000 4.699) 4.699 4.802 ( 0.000 0.000 -2.571) 2.571 4.802 ( 0.000 0.000 2.571) 2.571 5.172 ( 0.000 0.000 -4.139) 4.139 5.172 ( 0.000 0.000 4.139) 4.139 5.473 ( 0.000 0.000 -19.991) 19.991 5.473 ( 0.000 0.000 19.992) 19.992 6.132 ( 0.000 0.000 -10.575) 10.575 6.132 ( 0.000 0.000 10.575) 10.575 6.276 ( 0.000 0.000 -7.692) 7.692 6.276 ( 0.000 0.000 7.692) 7.692 6.471 ( 0.000 0.000 -9.457) 9.457 6.471 ( 0.000 0.000 9.457) 9.457 6.594 ( 0.000 0.000 -3.431) 3.431 6.594 ( 0.000 0.000 3.431) 3.431 6.958 ( 0.000 0.000 -0.203) 0.203 6.958 ( 0.000 0.000 0.203) 0.203 7.130 ( 0.000 0.000 -4.266) 4.266 7.130 ( 0.000 0.000 4.266) 4.266 8.418 ( 0.000 0.000 -1.574) 1.574 8.418 ( 0.000 0.000 1.574) 1.574 8.543 ( 0.000 0.000 -8.921) 8.921 8.543 ( 0.000 0.000 8.921) 8.921 8.635 ( 0.000 0.000 -2.006) 2.006 8.635 ( 0.000 0.000 2.006) 2.006 9.017 ( 0.000 0.000 -2.329) 2.329 9.017 ( 0.000 0.000 2.329) 2.329 9.056 ( 0.000 0.000 -1.500) 1.500 9.056 ( 0.000 0.000 1.500) 1.500 9.278 ( 0.000 0.000 -4.346) 4.346 9.278 ( 0.000 0.000 4.346) 4.346 10.461 ( 0.000 0.000 -1.187) 1.187 10.461 ( 0.000 0.000 1.187) 1.187 11.052 ( 0.000 0.000 -0.254) 0.254 11.052 ( 0.000 0.000 0.254) 0.254 11.573 ( 0.000 0.000 -2.127) 2.127 11.573 ( 0.000 0.000 2.127) 2.127 11.959 ( 0.000 0.000 -5.535) 5.535 11.959 ( 0.000 0.000 5.535) 5.535 12.157 ( 0.000 0.000 -6.338) 6.338 12.157 ( 0.000 0.000 6.338) 6.338 12.547 ( 0.000 0.000 -5.485) 5.485 12.547 ( 0.000 0.000 5.485) 5.485 13.431 ( 0.000 0.000 -3.820) 3.820 13.431 ( 0.000 0.000 3.820) 3.820 14.922 ( 0.000 0.000 -11.968) 11.968 14.922 ( 0.000 0.000 11.968) 11.968 15.888 ( 0.000 0.000 -3.221) 3.221 15.888 ( 0.000 0.000 3.221) 3.221 18.718 ( 0.000 0.000 -0.256) 0.256 18.718 ( 0.000 0.000 0.256) 0.256 18.746 ( 0.000 0.000 -0.107) 0.107 18.746 ( 0.000 0.000 0.107) 0.107 20.660 ( 0.000 0.000 -1.681) 1.681 20.660 ( 0.000 0.000 1.681) 1.681 21.202 ( 0.000 0.000 -3.167) 3.167 21.202 ( 0.000 0.000 3.167) 3.167 22.214 ( 0.000 0.000 -1.236) 1.236 22.214 ( 0.000 0.000 1.236) 1.236 22.717 ( 0.000 0.000 -2.115) 2.115 22.717 ( 0.000 0.000 2.115) 2.115 24.048 ( 0.000 0.000 -2.201) 2.201 24.048 ( 0.000 0.000 2.201) 2.201 24.207 ( 0.000 0.000 -12.172) 12.172 24.207 ( 0.000 0.000 12.172) 12.172 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -0.930 0.000 -4.837) 4.926 2.190 ( -0.930 0.000 4.837) 4.926 2.364 ( 1.793 0.000 -7.496) 7.707 2.364 ( 1.793 0.000 7.496) 7.707 2.477 ( 1.897 0.000 -10.509) 10.679 2.477 ( 1.897 0.000 10.509) 10.679 2.631 ( -1.007 0.000 -5.495) 5.586 2.631 ( -1.007 0.000 5.495) 5.586 2.740 ( -11.816 0.000 -1.039) 11.862 2.740 ( -11.816 0.000 1.039) 11.862 3.398 ( 9.830 0.000 -2.550) 10.156 3.398 ( 9.830 0.000 2.550) 10.156 3.768 ( 4.160 0.000 -1.754) 4.514 3.768 ( 4.160 0.000 1.754) 4.514 4.149 ( 0.564 0.000 -2.586) 2.647 4.149 ( 0.564 0.000 2.586) 2.647 4.537 ( 3.322 0.000 -10.005) 10.542 4.537 ( 3.322 0.000 10.005) 10.542 4.578 ( -1.080 0.000 -4.025) 4.167 4.578 ( -1.080 0.000 4.025) 4.167 4.758 ( -3.689 0.000 -5.066) 6.267 4.758 ( -3.689 0.000 5.066) 6.267 5.126 ( -2.824 0.000 -2.852) 4.014 5.126 ( -2.824 0.000 2.852) 4.014 5.488 ( 0.521 0.000 -17.069) 17.077 5.488 ( 0.521 0.000 17.069) 17.077 5.993 ( -7.871 0.000 -13.127) 15.306 5.993 ( -7.871 0.000 13.127) 15.306 6.319 ( 3.668 0.000 -7.426) 8.283 6.319 ( 3.668 0.000 7.426) 8.283 6.543 ( -4.195 0.000 -4.522) 6.168 6.543 ( -4.195 0.000 4.522) 6.168 6.592 ( 6.686 0.000 -4.733) 8.192 6.592 ( 6.686 0.000 4.733) 8.192 6.959 ( 0.053 0.000 -0.220) 0.226 6.959 ( 0.053 0.000 0.220) 0.226 7.142 ( 0.835 0.000 -3.119) 3.229 7.142 ( 0.835 0.000 3.119) 3.229 8.433 ( 1.467 0.000 -2.865) 3.219 8.433 ( 1.467 0.000 2.865) 3.219 8.574 ( 2.291 0.000 -6.777) 7.154 8.574 ( 2.291 0.000 6.777) 7.154 8.630 ( -0.817 0.000 -1.977) 2.139 8.630 ( -0.817 0.000 1.977) 2.139 9.020 ( 0.342 0.000 -1.825) 1.857 9.020 ( 0.342 0.000 1.825) 1.857 9.028 ( -2.068 0.000 -2.021) 2.891 9.028 ( -2.068 0.000 2.021) 2.891 9.284 ( 0.342 0.000 -2.885) 2.905 9.284 ( 0.342 0.000 2.885) 2.905 10.461 ( -0.041 0.000 -0.837) 0.838 10.461 ( -0.041 0.000 0.837) 0.838 11.101 ( 3.977 0.000 -0.271) 3.986 11.101 ( 3.977 0.000 0.271) 3.986 11.510 ( -4.771 0.000 -0.960) 4.867 11.510 ( -4.771 0.000 0.960) 4.867 11.987 ( 1.843 0.000 -3.514) 3.968 11.987 ( 1.843 0.000 3.514) 3.968 12.158 ( 0.036 0.000 -4.479) 4.479 12.158 ( 0.036 0.000 4.479) 4.479 12.548 ( 0.019 0.000 -3.878) 3.878 12.548 ( 0.019 0.000 3.878) 3.878 13.411 ( -1.428 0.000 -2.702) 3.056 13.411 ( -1.428 0.000 2.702) 3.056 14.935 ( 0.919 0.000 -8.684) 8.733 14.935 ( 0.919 0.000 8.684) 8.733 15.868 ( -1.421 0.000 -2.674) 3.028 15.868 ( -1.421 0.000 2.674) 3.028 18.718 ( -0.026 0.000 -0.184) 0.186 18.718 ( -0.026 0.000 0.184) 0.186 18.746 ( 0.029 0.000 -0.088) 0.093 18.746 ( 0.029 0.000 0.088) 0.093 20.727 ( 5.390 0.000 -2.972) 6.155 20.727 ( 5.390 0.000 2.972) 6.155 21.142 ( -4.975 0.000 -4.089) 6.439 21.142 ( -4.975 0.000 4.089) 6.439 22.248 ( 3.078 0.000 -1.604) 3.471 22.248 ( 3.078 0.000 1.604) 3.471 22.632 ( -6.567 0.000 -1.894) 6.834 22.632 ( -6.567 0.000 1.894) 6.834 24.011 ( -1.449 0.000 -0.967) 1.742 24.011 ( -1.449 0.000 0.967) 1.742 24.294 ( 4.908 0.000 -6.204) 7.911 24.294 ( 4.908 0.000 6.204) 7.911 ======================= Grid point 229 (78/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 -0.000) 0.000 2.390 ( 0.000 0.000 -0.000) 0.000 2.511 ( 0.000 0.000 -0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.591 ( -0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 3.503 ( -0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.841 ( -0.000 0.000 0.000) 0.000 4.157 ( -0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.612 ( -0.000 0.000 -0.000) 0.000 4.612 ( 0.000 0.000 -0.000) 0.000 4.679 ( -0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 5.092 ( -0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.487 ( -0.000 0.000 0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.896 ( -0.000 0.000 -0.000) 0.000 5.896 ( 0.000 0.000 0.000) 0.000 6.414 ( -0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 6.441 ( -0.000 0.000 -0.000) 0.000 6.441 ( 0.000 0.000 -0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.153 ( 0.000 0.000 0.000) 0.000 7.153 ( 0.000 0.000 0.000) 0.000 8.462 ( -0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 8.609 ( -0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 9.026 ( 0.000 0.000 0.000) 0.000 9.026 ( 0.000 0.000 0.000) 0.000 9.288 ( 0.000 0.000 0.000) 0.000 9.288 ( 0.000 0.000 0.000) 0.000 10.460 ( -0.000 0.000 0.000) 0.000 10.460 ( 0.000 0.000 0.000) 0.000 11.171 ( 0.000 0.000 0.000) 0.000 11.171 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.158 ( -0.000 0.000 0.000) 0.000 12.158 ( 0.000 0.000 0.000) 0.000 12.548 ( -0.000 0.000 0.000) 0.000 12.548 ( 0.000 0.000 0.000) 0.000 13.391 ( 0.000 0.000 0.000) 0.000 13.391 ( 0.000 0.000 0.000) 0.000 14.948 ( -0.000 0.000 0.000) 0.000 14.948 ( 0.000 0.000 0.000) 0.000 15.848 ( -0.000 0.000 0.000) 0.000 15.848 ( 0.000 0.000 0.000) 0.000 18.717 ( 0.000 0.000 0.000) 0.000 18.717 ( 0.000 0.000 0.000) 0.000 18.746 ( 0.000 0.000 0.000) 0.000 18.746 ( 0.000 0.000 0.000) 0.000 20.826 ( 0.000 0.000 0.000) 0.000 20.826 ( 0.000 0.000 0.000) 0.000 21.048 ( -0.000 0.000 0.000) 0.000 21.048 ( 0.000 0.000 0.000) 0.000 22.312 ( 0.000 0.000 0.000) 0.000 22.312 ( 0.000 0.000 0.000) 0.000 22.519 ( -0.000 0.000 0.000) 0.000 22.519 ( 0.000 0.000 0.000) 0.000 23.998 ( -0.000 0.000 0.000) 0.000 23.998 ( 0.000 0.000 0.000) 0.000 24.355 ( 0.000 0.000 0.000) 0.000 24.355 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 0.000 7.765 -5.815) 9.701 2.305 ( 0.000 7.765 5.815) 9.701 2.451 ( 0.000 6.789 -1.490) 6.950 2.451 ( 0.000 6.789 1.490) 6.950 2.526 ( 0.000 11.491 -1.444) 11.582 2.526 ( 0.000 11.491 1.444) 11.582 2.772 ( 0.000 10.577 -5.729) 12.029 2.772 ( 0.000 10.577 5.729) 12.029 3.032 ( 0.000 2.912 -6.212) 6.861 3.032 ( 0.000 2.912 6.212) 6.861 3.143 ( 0.000 0.760 -2.662) 2.768 3.143 ( 0.000 0.760 2.662) 2.768 3.683 ( 0.000 -3.456 -0.484) 3.490 3.683 ( 0.000 -3.456 0.484) 3.490 4.121 ( 0.000 -2.101 -0.567) 2.176 4.121 ( 0.000 -2.101 0.567) 2.176 4.427 ( 0.000 -4.506 -8.978) 10.045 4.427 ( 0.000 -4.506 8.978) 10.045 4.685 ( 0.000 7.013 -7.230) 10.072 4.685 ( 0.000 7.013 7.230) 10.072 4.823 ( 0.000 1.574 -3.073) 3.452 4.823 ( 0.000 1.574 3.073) 3.452 5.155 ( 0.000 -1.744 -3.685) 4.077 5.155 ( 0.000 -1.744 3.685) 4.077 5.466 ( 0.000 -0.840 -19.092) 19.110 5.466 ( 0.000 -0.840 19.092) 19.111 5.939 ( 0.000 -11.911 -2.904) 12.260 5.939 ( 0.000 -11.911 2.904) 12.260 6.384 ( 0.000 -2.679 -5.885) 6.466 6.384 ( 0.000 -2.679 5.885) 6.466 6.454 ( 0.000 5.754 -0.295) 5.762 6.454 ( 0.000 5.754 0.295) 5.762 6.609 ( 0.000 1.396 -0.265) 1.421 6.609 ( 0.000 1.396 0.265) 1.421 7.044 ( 0.000 7.602 -0.709) 7.635 7.044 ( 0.000 7.602 0.709) 7.635 7.165 ( 0.000 3.325 -2.991) 4.472 7.165 ( 0.000 3.325 2.991) 4.472 8.366 ( 0.000 -5.822 -0.031) 5.822 8.366 ( 0.000 -5.822 0.031) 5.822 8.455 ( 0.000 -8.557 -3.560) 9.268 8.455 ( 0.000 -8.557 3.560) 9.268 8.649 ( 0.000 2.277 -4.479) 5.024 8.649 ( 0.000 2.277 4.479) 5.024 8.889 ( 0.000 -7.975 -1.793) 8.174 8.889 ( 0.000 -7.975 1.793) 8.174 9.087 ( 0.000 2.334 -1.233) 2.639 9.087 ( 0.000 2.334 1.233) 2.639 9.405 ( 0.000 8.767 -3.903) 9.596 9.405 ( 0.000 8.767 3.903) 9.596 10.430 ( 0.000 -3.182 -0.343) 3.200 10.430 ( 0.000 -3.182 0.343) 3.200 11.079 ( 0.000 2.494 -0.183) 2.501 11.079 ( 0.000 2.494 0.183) 2.501 11.569 ( 0.000 -0.534 -1.774) 1.853 11.569 ( 0.000 -0.534 1.774) 1.853 11.928 ( 0.000 -2.545 -1.764) 3.097 11.928 ( 0.000 -2.545 1.764) 3.097 12.185 ( 0.000 2.409 -4.495) 5.100 12.185 ( 0.000 2.409 4.495) 5.100 12.580 ( 0.000 2.972 -2.883) 4.141 12.580 ( 0.000 2.972 2.883) 4.141 13.437 ( 0.000 0.695 -4.086) 4.145 13.437 ( 0.000 0.695 4.086) 4.145 14.916 ( 0.000 -0.572 -11.106) 11.121 14.916 ( 0.000 -0.572 11.106) 11.121 15.797 ( 0.000 -8.441 -3.858) 9.281 15.797 ( 0.000 -8.441 3.858) 9.281 18.823 ( 0.000 8.959 -0.150) 8.960 18.823 ( 0.000 8.959 0.150) 8.960 18.859 ( 0.000 11.675 -1.711) 11.799 18.859 ( 0.000 11.675 1.711) 11.799 20.628 ( 0.000 -3.212 -1.828) 3.695 20.628 ( 0.000 -3.212 1.828) 3.695 21.177 ( 0.000 -2.498 -2.825) 3.771 21.177 ( 0.000 -2.498 2.825) 3.771 22.216 ( 0.000 0.233 -1.171) 1.194 22.216 ( 0.000 0.233 1.171) 1.194 22.711 ( 0.000 -0.519 -1.938) 2.007 22.711 ( 0.000 -0.519 1.938) 2.007 24.036 ( 0.000 -1.174 -1.932) 2.260 24.036 ( 0.000 -1.174 1.932) 2.260 24.182 ( 0.000 -2.369 -10.976) 11.229 24.182 ( 0.000 -2.369 10.976) 11.229 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 1.288 8.405 -4.882) 9.805 2.317 ( 1.288 8.405 4.882) 9.805 2.456 ( -0.071 7.812 -5.256) 9.416 2.456 ( -0.071 7.812 5.256) 9.416 2.515 ( -0.726 6.882 -5.529) 8.858 2.515 ( -0.726 6.882 5.529) 8.858 2.744 ( -9.707 1.693 -1.438) 9.958 2.744 ( -9.707 1.693 1.438) 9.958 2.795 ( -1.280 13.991 -4.501) 14.753 2.795 ( -1.280 13.991 4.501) 14.753 3.394 ( 9.424 0.235 -2.213) 9.684 3.394 ( 9.424 0.235 2.213) 9.684 3.714 ( 2.762 -4.562 -1.841) 5.642 3.714 ( 2.762 -4.562 1.841) 5.642 4.137 ( 1.390 -1.469 -1.773) 2.689 4.137 ( 1.390 -1.469 1.773) 2.689 4.450 ( 1.725 -4.729 -7.083) 8.689 4.450 ( 1.725 -4.729 7.083) 8.689 4.691 ( 0.360 7.462 -7.386) 10.505 4.691 ( 0.360 7.462 7.386) 10.505 4.781 ( -3.212 1.564 -5.211) 6.318 4.781 ( -3.212 1.564 5.211) 6.318 5.124 ( -1.817 -0.232 -2.503) 3.102 5.124 ( -1.817 -0.232 2.503) 3.102 5.463 ( -0.741 -2.492 -15.248) 15.468 5.463 ( -0.741 -2.492 15.248) 15.468 5.891 ( -3.139 -7.849 -7.006) 10.979 5.891 ( -3.139 -7.849 7.006) 10.979 6.369 ( 0.866 0.608 -0.541) 1.188 6.369 ( 0.866 0.608 0.541) 1.188 6.492 ( -0.208 -0.971 -3.259) 3.407 6.492 ( -0.208 -0.971 3.259) 3.407 6.632 ( 2.273 3.279 -1.760) 4.361 6.632 ( 2.273 3.279 1.760) 4.361 7.054 ( 1.003 7.803 -1.692) 8.047 7.054 ( 1.003 7.803 1.692) 8.047 7.160 ( -0.460 1.953 -2.540) 3.237 7.160 ( -0.460 1.953 2.540) 3.237 8.374 ( 1.138 -6.325 -0.467) 6.444 8.374 ( 1.138 -6.325 0.467) 6.444 8.464 ( -0.201 -9.522 -3.692) 10.215 8.464 ( -0.201 -9.522 3.692) 10.215 8.654 ( 0.495 1.829 -4.072) 4.491 8.654 ( 0.495 1.829 4.072) 4.491 8.904 ( 1.257 -6.928 -2.049) 7.333 8.904 ( 1.257 -6.928 2.049) 7.333 9.063 ( -1.907 2.587 -1.768) 3.668 9.063 ( -1.907 2.587 1.768) 3.668 9.407 ( 0.145 8.598 -2.733) 9.023 9.407 ( 0.145 8.598 2.733) 9.023 10.437 ( 0.525 -2.569 -0.225) 2.632 10.437 ( 0.525 -2.569 0.225) 2.632 11.115 ( 2.843 1.303 -0.157) 3.131 11.115 ( 2.843 1.303 0.157) 3.131 11.509 ( -4.493 -0.304 -0.841) 4.582 11.509 ( -4.493 -0.304 0.841) 4.582 11.926 ( -0.012 -3.612 -1.499) 3.911 11.926 ( -0.012 -3.612 1.499) 3.911 12.252 ( 4.916 6.320 -3.993) 8.947 12.252 ( 4.916 6.320 3.993) 8.947 12.553 ( -2.243 1.187 -2.468) 3.540 12.553 ( -2.243 1.187 2.468) 3.540 13.411 ( -1.874 -0.021 -2.898) 3.451 13.411 ( -1.874 -0.021 2.898) 3.451 14.932 ( 1.124 -0.235 -8.053) 8.134 14.932 ( 1.124 -0.235 8.053) 8.135 15.780 ( -1.243 -8.254 -3.038) 8.883 15.780 ( -1.243 -8.254 3.038) 8.883 18.827 ( 0.296 8.843 -0.411) 8.857 18.827 ( 0.296 8.843 0.411) 8.857 18.854 ( -0.378 11.694 -1.399) 11.783 18.854 ( -0.378 11.694 1.399) 11.783 20.694 ( 5.354 -3.238 -2.900) 6.897 20.694 ( 5.354 -3.238 2.900) 6.897 21.116 ( -5.035 -2.601 -3.784) 6.815 21.116 ( -5.035 -2.601 3.784) 6.815 22.252 ( 3.220 0.397 -1.514) 3.580 22.252 ( 3.220 0.397 1.514) 3.580 22.627 ( -6.593 -0.527 -1.748) 6.841 22.627 ( -6.593 -0.527 1.748) 6.841 24.004 ( -1.182 -0.619 -0.836) 1.574 24.004 ( -1.182 -0.619 0.836) 1.574 24.262 ( 4.586 -2.997 -5.596) 7.831 24.262 ( 4.586 -2.997 5.596) 7.831 ======================= Grid point 239 (81/90) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -0.000 12.219 0.000) 12.219 2.347 ( 0.000 12.219 0.000) 12.219 2.439 ( -0.000 3.997 -0.000) 3.997 2.439 ( 0.000 3.997 0.000) 3.997 2.511 ( 0.000 4.137 -0.000) 4.137 2.511 ( 0.000 4.137 0.000) 4.137 2.605 ( -0.000 1.746 0.000) 1.746 2.605 ( -0.000 1.746 0.000) 1.746 2.801 ( 0.000 16.177 0.000) 16.177 2.801 ( 0.000 16.177 0.000) 16.177 3.494 ( -0.000 -0.580 0.000) 0.580 3.494 ( 0.000 -0.580 0.000) 0.580 3.761 ( -0.000 -6.059 0.000) 6.059 3.761 ( -0.000 -6.059 0.000) 6.059 4.163 ( -0.000 -0.453 0.000) 0.453 4.163 ( 0.000 -0.453 0.000) 0.453 4.475 ( 0.000 -5.089 0.000) 5.089 4.475 ( 0.000 -5.089 0.000) 5.089 4.704 ( -0.000 8.799 -0.000) 8.799 4.704 ( 0.000 8.799 0.000) 8.799 4.720 ( 0.000 0.874 -0.000) 0.874 4.720 ( 0.000 0.874 0.000) 0.874 5.105 ( -0.000 1.078 0.000) 1.078 5.105 ( -0.000 1.078 0.000) 1.078 5.444 ( 0.000 -3.918 0.000) 3.918 5.444 ( 0.000 -3.918 0.000) 3.918 5.851 ( -0.000 -4.165 -0.000) 4.165 5.851 ( 0.000 -4.165 0.000) 4.165 6.407 ( 0.000 -3.922 0.000) 3.922 6.407 ( 0.000 -3.922 0.000) 3.922 6.456 ( -0.000 3.614 -0.000) 3.614 6.456 ( 0.000 3.614 -0.000) 3.614 6.667 ( 0.000 1.887 0.000) 1.887 6.667 ( 0.000 1.887 0.000) 1.887 7.074 ( 0.000 8.888 0.000) 8.888 7.074 ( 0.000 8.888 0.000) 8.888 7.150 ( 0.000 -0.116 0.000) 0.116 7.150 ( -0.000 -0.116 0.000) 0.116 8.410 ( -0.000 -4.405 -0.000) 4.405 8.410 ( 0.000 -4.405 0.000) 4.405 8.437 ( -0.000 -12.767 0.000) 12.767 8.437 ( 0.000 -12.767 0.000) 12.767 8.664 ( 0.000 1.057 0.000) 1.057 8.664 ( -0.000 1.057 0.000) 1.057 8.927 ( 0.000 -5.748 0.000) 5.748 8.927 ( 0.000 -5.748 0.000) 5.748 9.030 ( -0.000 2.828 0.000) 2.828 9.030 ( 0.000 2.828 0.000) 2.828 9.409 ( 0.000 8.451 0.000) 8.451 9.409 ( 0.000 8.451 0.000) 8.451 10.444 ( 0.000 -1.941 0.000) 1.941 10.444 ( 0.000 -1.941 0.000) 1.941 11.164 ( 0.000 -0.465 0.000) 0.465 11.164 ( 0.000 -0.465 0.000) 0.465 11.438 ( 0.000 0.505 0.000) 0.505 11.438 ( 0.000 0.505 0.000) 0.505 11.927 ( 0.000 -4.222 0.000) 4.222 11.927 ( 0.000 -4.222 0.000) 4.222 12.331 ( -0.000 12.860 0.000) 12.860 12.331 ( 0.000 12.860 0.000) 12.860 12.510 ( -0.000 -3.679 0.000) 3.679 12.510 ( 0.000 -3.679 0.000) 3.679 13.384 ( 0.000 -0.763 0.000) 0.763 13.384 ( 0.000 -0.763 0.000) 0.763 14.948 ( 0.000 0.103 0.000) 0.103 14.948 ( 0.000 0.103 0.000) 0.103 15.762 ( -0.000 -8.081 0.000) 8.081 15.762 ( 0.000 -8.081 0.000) 8.081 18.832 ( -0.000 8.265 -0.000) 8.265 18.832 ( 0.000 8.265 -0.000) 8.265 18.847 ( -0.000 12.178 0.000) 12.178 18.847 ( 0.000 12.178 0.000) 12.178 20.792 ( 0.000 -3.320 0.000) 3.320 20.792 ( 0.000 -3.320 0.000) 3.320 21.022 ( -0.000 -2.643 0.000) 2.643 21.022 ( 0.000 -2.643 0.000) 2.643 22.320 ( 0.000 0.798 0.000) 0.798 22.320 ( -0.000 0.798 0.000) 0.798 22.512 ( 0.000 -0.766 0.000) 0.766 22.512 ( 0.000 -0.766 0.000) 0.766 23.994 ( -0.000 -0.317 0.000) 0.317 23.994 ( 0.000 -0.317 0.000) 0.317 24.320 ( 0.000 -3.383 0.000) 3.383 24.320 ( 0.000 -3.383 0.000) 3.383 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 0.000 5.207 -2.420) 5.742 2.432 ( 0.000 5.207 2.420) 5.742 2.616 ( 0.000 9.264 -3.561) 9.925 2.616 ( 0.000 9.264 3.561) 9.925 2.782 ( 0.000 7.995 -3.191) 8.608 2.782 ( 0.000 7.995 3.191) 8.608 2.911 ( 0.000 3.850 -4.589) 5.990 2.911 ( 0.000 3.850 4.589) 5.990 3.181 ( 0.000 10.622 -5.974) 12.187 3.181 ( 0.000 10.622 5.974) 12.187 3.284 ( 0.000 15.011 -3.068) 15.321 3.284 ( 0.000 15.011 3.068) 15.321 3.611 ( 0.000 -2.216 -1.648) 2.762 3.611 ( 0.000 -2.216 1.648) 2.762 4.058 ( 0.000 -4.037 -0.273) 4.046 4.058 ( 0.000 -4.037 0.273) 4.046 4.363 ( 0.000 -1.442 -10.549) 10.647 4.363 ( 0.000 -1.442 10.549) 10.647 4.725 ( 0.000 -4.553 -5.962) 7.502 4.725 ( 0.000 -4.553 5.962) 7.502 4.932 ( 0.000 8.656 -1.558) 8.795 4.932 ( 0.000 8.656 1.558) 8.795 5.119 ( 0.000 -0.338 -2.424) 2.447 5.119 ( 0.000 -0.338 2.424) 2.447 5.413 ( 0.000 -5.353 -13.288) 14.325 5.413 ( 0.000 -5.353 13.288) 14.325 5.751 ( 0.000 -5.840 -2.029) 6.182 5.751 ( 0.000 -5.840 2.029) 6.182 6.269 ( 0.000 -5.936 -5.277) 7.942 6.269 ( 0.000 -5.936 5.277) 7.942 6.571 ( 0.000 3.130 -5.147) 6.024 6.571 ( 0.000 3.130 5.147) 6.024 6.661 ( 0.000 4.389 -4.446) 6.248 6.661 ( 0.000 4.389 4.446) 6.248 7.206 ( 0.000 7.152 -1.990) 7.424 7.206 ( 0.000 7.152 1.990) 7.424 7.253 ( 0.000 5.480 -4.116) 6.854 7.253 ( 0.000 5.480 4.116) 6.854 8.119 ( 0.000 -16.973 -1.099) 17.008 8.119 ( 0.000 -16.973 1.099) 17.008 8.331 ( 0.000 -3.686 -1.651) 4.039 8.331 ( 0.000 -3.686 1.651) 4.039 8.679 ( 0.000 -2.676 -1.901) 3.282 8.679 ( 0.000 -2.676 1.901) 3.282 8.797 ( 0.000 1.588 -5.906) 6.115 8.797 ( 0.000 1.588 5.906) 6.115 9.142 ( 0.000 2.964 -2.555) 3.913 9.142 ( 0.000 2.964 2.555) 3.913 9.571 ( 0.000 7.890 -3.814) 8.764 9.571 ( 0.000 7.890 3.814) 8.764 10.331 ( 0.000 -6.832 -2.898) 7.421 10.331 ( 0.000 -6.832 2.898) 7.421 11.139 ( 0.000 3.396 -0.266) 3.407 11.139 ( 0.000 3.396 0.266) 3.407 11.539 ( 0.000 -2.809 -1.248) 3.073 11.539 ( 0.000 -2.809 1.248) 3.073 11.886 ( 0.000 -1.139 -3.309) 3.500 11.886 ( 0.000 -1.139 3.309) 3.500 12.238 ( 0.000 2.571 -2.111) 3.327 12.238 ( 0.000 2.571 2.111) 3.327 12.649 ( 0.000 3.552 -1.244) 3.763 12.649 ( 0.000 3.552 1.244) 3.763 13.464 ( 0.000 2.009 -4.194) 4.650 13.464 ( 0.000 2.009 4.194) 4.650 14.902 ( 0.000 -0.728 -8.613) 8.643 14.902 ( 0.000 -0.728 8.613) 8.643 15.595 ( 0.000 -10.792 -4.251) 11.599 15.595 ( 0.000 -10.792 4.251) 11.599 19.050 ( 0.000 13.166 -0.516) 13.176 19.050 ( 0.000 13.166 0.516) 13.176 19.150 ( 0.000 15.775 -3.617) 16.184 19.150 ( 0.000 15.775 3.617) 16.184 20.541 ( 0.000 -5.172 -2.108) 5.585 20.541 ( 0.000 -5.172 2.108) 5.585 21.104 ( 0.000 -4.710 -1.908) 5.082 21.104 ( 0.000 -4.710 1.908) 5.082 22.222 ( 0.000 0.292 -0.946) 0.990 22.222 ( 0.000 0.292 0.946) 0.990 22.699 ( 0.000 -0.699 -1.452) 1.611 22.699 ( 0.000 -0.699 1.452) 1.611 24.006 ( 0.000 -1.602 -1.243) 2.027 24.006 ( 0.000 -1.602 1.243) 2.027 24.124 ( 0.000 -3.151 -7.987) 8.586 24.124 ( 0.000 -3.151 7.987) 8.586 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -0.407 3.212 -3.697) 4.914 2.417 ( -0.407 3.212 3.697) 4.914 2.587 ( -3.490 5.014 -5.774) 8.406 2.587 ( -3.490 5.014 5.774) 8.406 2.709 ( -3.206 5.630 -1.923) 6.758 2.709 ( -3.206 5.630 1.923) 6.758 2.852 ( -6.462 10.166 -4.132) 12.735 2.852 ( -6.462 10.166 4.132) 12.735 3.132 ( 3.626 17.043 -4.158) 17.913 3.132 ( 3.626 17.043 4.158) 17.913 3.459 ( 5.128 7.903 -0.848) 9.459 3.459 ( 5.128 7.903 0.848) 9.459 3.640 ( 3.224 -0.862 -1.763) 3.774 3.640 ( 3.224 -0.862 1.763) 3.774 4.087 ( 2.340 -3.358 -1.217) 4.270 4.087 ( 2.340 -3.358 1.217) 4.270 4.381 ( 1.246 -2.054 -7.668) 8.035 4.381 ( 1.246 -2.054 7.668) 8.035 4.702 ( -2.117 -5.747 -2.550) 6.634 4.702 ( -2.117 -5.747 2.550) 6.634 4.920 ( -0.191 9.776 -2.364) 10.060 4.920 ( -0.191 9.776 2.364) 10.060 5.121 ( -0.191 0.722 -2.440) 2.552 5.121 ( -0.191 0.722 2.440) 2.552 5.384 ( -2.079 -5.487 -9.488) 11.156 5.384 ( -2.079 -5.487 9.488) 11.156 5.750 ( -0.040 -5.512 -2.608) 6.098 5.750 ( -0.040 -5.512 2.608) 6.098 6.292 ( 1.723 -4.946 -3.203) 6.140 6.292 ( 1.723 -4.946 3.203) 6.140 6.543 ( -1.743 2.620 -3.899) 5.011 6.543 ( -1.743 2.620 3.899) 5.011 6.717 ( 3.585 5.309 -4.342) 7.739 6.717 ( 3.585 5.309 4.342) 7.739 7.196 ( -1.952 5.273 -6.729) 8.769 7.196 ( -1.952 5.273 6.729) 8.769 7.237 ( 0.126 5.872 -5.889) 8.317 7.237 ( 0.126 5.872 5.889) 8.317 8.117 ( -0.099 -17.545 -0.715) 17.559 8.117 ( -0.099 -17.545 0.715) 17.559 8.332 ( -0.066 -3.562 -2.345) 4.265 8.332 ( -0.066 -3.562 2.345) 4.265 8.655 ( -1.427 -3.271 -1.705) 3.955 8.655 ( -1.427 -3.271 1.705) 3.955 8.840 ( 3.118 1.981 -4.723) 5.996 8.840 ( 3.118 1.981 4.723) 5.996 9.119 ( -1.834 2.787 -2.514) 4.177 9.119 ( -1.834 2.787 2.514) 4.177 9.570 ( -0.060 7.753 -2.698) 8.209 9.570 ( -0.060 7.753 2.698) 8.209 10.346 ( 1.069 -6.813 -2.063) 7.198 10.346 ( 1.069 -6.813 2.063) 7.198 11.151 ( 0.978 2.453 -0.311) 2.659 11.151 ( 0.978 2.453 0.311) 2.659 11.487 ( -3.639 -2.213 -0.814) 4.336 11.487 ( -3.639 -2.213 0.814) 4.336 11.888 ( 0.231 0.106 -1.995) 2.012 11.888 ( 0.231 0.106 1.995) 2.012 12.320 ( 5.858 -0.193 -0.852) 5.923 12.320 ( 5.858 -0.193 0.852) 5.923 12.634 ( -1.211 7.041 -1.869) 7.385 12.634 ( -1.211 7.041 1.869) 7.385 13.411 ( -3.848 -0.018 -3.169) 4.985 13.411 ( -3.848 -0.018 3.169) 4.985 14.931 ( 2.078 0.378 -6.337) 6.679 14.931 ( 2.078 0.378 6.337) 6.679 15.578 ( -1.237 -11.057 -3.316) 11.609 15.578 ( -1.237 -11.057 3.316) 11.609 19.050 ( -0.010 12.974 -0.379) 12.980 19.050 ( -0.010 12.974 0.379) 12.980 19.147 ( -0.198 15.883 -2.537) 16.085 19.147 ( -0.198 15.883 2.537) 16.085 20.607 ( 5.400 -5.054 -2.703) 7.875 20.607 ( 5.400 -5.054 2.703) 7.875 21.039 ( -5.282 -4.961 -2.973) 7.832 21.039 ( -5.282 -4.961 2.973) 7.832 22.262 ( 3.626 0.571 -1.220) 3.869 22.262 ( 3.626 0.571 1.220) 3.869 22.613 ( -6.698 -0.728 -1.337) 6.869 22.613 ( -6.698 -0.728 1.337) 6.869 23.991 ( -0.399 -0.512 -0.484) 0.809 23.991 ( -0.399 -0.512 0.484) 0.809 24.186 ( 3.639 -4.384 -4.171) 7.061 24.186 ( 3.639 -4.384 4.171) 7.061 ======================= Grid point 249 (84/90) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 0.000 1.003 -0.000) 1.003 2.436 ( 0.000 1.003 0.000) 1.003 2.499 ( -0.000 1.571 0.000) 1.571 2.499 ( -0.000 1.571 0.000) 1.571 2.676 ( 0.000 4.851 0.000) 4.851 2.676 ( 0.000 4.851 0.000) 4.851 2.776 ( -0.000 14.280 -0.000) 14.280 2.776 ( 0.000 14.280 -0.000) 14.280 3.191 ( -0.000 21.162 0.000) 21.162 3.191 ( 0.000 21.162 0.000) 21.162 3.499 ( 0.000 1.574 0.000) 1.574 3.499 ( 0.000 1.574 0.000) 1.574 3.694 ( -0.000 1.892 0.000) 1.892 3.694 ( -0.000 1.892 0.000) 1.892 4.127 ( -0.000 -2.682 0.000) 2.682 4.127 ( 0.000 -2.682 0.000) 2.682 4.398 ( 0.000 -2.659 0.000) 2.659 4.398 ( 0.000 -2.659 0.000) 2.659 4.667 ( -0.000 -6.330 0.000) 6.330 4.667 ( 0.000 -6.330 0.000) 6.330 4.924 ( -0.000 11.828 0.000) 11.828 4.924 ( 0.000 11.828 0.000) 11.828 5.115 ( -0.000 -0.644 0.000) 0.644 5.115 ( -0.000 -0.644 0.000) 0.644 5.354 ( 0.000 -4.259 -0.000) 4.259 5.354 ( 0.000 -4.259 0.000) 4.259 5.750 ( 0.000 -5.581 -0.000) 5.581 5.750 ( 0.000 -5.581 0.000) 5.581 6.319 ( 0.000 -3.606 0.000) 3.606 6.319 ( 0.000 -3.606 0.000) 3.606 6.517 ( 0.000 1.494 -0.000) 1.494 6.517 ( 0.000 1.494 0.000) 1.494 6.766 ( 0.000 7.372 0.000) 7.372 6.766 ( 0.000 7.372 0.000) 7.372 7.160 ( 0.000 1.293 0.000) 1.293 7.160 ( -0.000 1.293 0.000) 1.293 7.247 ( 0.000 7.655 0.000) 7.655 7.247 ( 0.000 7.655 0.000) 7.655 8.116 ( -0.000 -18.669 0.000) 18.669 8.116 ( 0.000 -18.669 0.000) 18.669 8.329 ( -0.000 -2.771 0.000) 2.771 8.329 ( 0.000 -2.771 0.000) 2.771 8.636 ( 0.000 -4.138 0.000) 4.138 8.636 ( 0.000 -4.138 0.000) 4.138 8.889 ( 0.000 2.533 0.000) 2.533 8.889 ( 0.000 2.533 0.000) 2.533 9.087 ( -0.000 2.517 0.000) 2.517 9.087 ( 0.000 2.517 0.000) 2.517 9.569 ( 0.000 7.615 0.000) 7.615 9.569 ( 0.000 7.615 0.000) 7.615 10.362 ( 0.000 -6.798 0.000) 6.798 10.362 ( 0.000 -6.798 0.000) 6.798 11.168 ( 0.000 1.200 0.000) 1.200 11.168 ( 0.000 1.200 0.000) 1.200 11.434 ( 0.000 -1.275 0.000) 1.275 11.434 ( 0.000 -1.275 0.000) 1.275 11.892 ( 0.000 1.059 0.000) 1.059 11.892 ( 0.000 1.059 0.000) 1.059 12.408 ( 0.000 -6.378 0.000) 6.378 12.408 ( 0.000 -6.378 0.000) 6.378 12.612 ( -0.000 14.688 0.000) 14.688 12.612 ( 0.000 14.688 0.000) 14.688 13.354 ( 0.000 -2.481 0.000) 2.481 13.354 ( 0.000 -2.481 0.000) 2.481 14.961 ( 0.000 1.529 0.000) 1.529 14.961 ( 0.000 1.529 0.000) 1.529 15.560 ( -0.000 -11.419 0.000) 11.419 15.560 ( 0.000 -11.419 0.000) 11.419 19.050 ( 0.000 12.778 0.000) 12.778 19.050 ( 0.000 12.778 0.000) 12.778 19.144 ( 0.000 15.997 0.000) 15.997 19.144 ( 0.000 15.997 0.000) 15.997 20.707 ( 0.000 -4.720 0.000) 4.720 20.707 ( 0.000 -4.720 0.000) 4.720 20.942 ( -0.000 -5.421 0.000) 5.421 20.942 ( 0.000 -5.421 0.000) 5.421 22.343 ( 0.000 1.495 0.000) 1.495 22.343 ( -0.000 1.495 0.000) 1.495 22.490 ( 0.000 -1.399 0.000) 1.399 22.490 ( 0.000 -1.399 0.000) 1.399 23.990 ( -0.000 0.079 0.000) 0.079 23.990 ( 0.000 0.079 0.000) 0.079 24.232 ( 0.000 -5.129 0.000) 5.129 24.232 ( 0.000 -5.129 0.000) 5.129 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 0.000 5.367 -3.168) 6.232 2.537 ( 0.000 5.367 3.168) 6.232 2.746 ( 0.000 1.795 -3.856) 4.253 2.746 ( 0.000 1.795 3.856) 4.253 2.787 ( 0.000 -1.531 -3.015) 3.381 2.787 ( 0.000 -1.531 3.015) 3.382 3.034 ( 0.000 5.509 -1.589) 5.733 3.034 ( 0.000 5.509 1.589) 5.733 3.350 ( 0.000 4.180 -4.966) 6.491 3.350 ( 0.000 4.180 4.966) 6.491 3.543 ( 0.000 7.958 -3.240) 8.593 3.543 ( 0.000 7.958 3.240) 8.593 3.723 ( 0.000 13.685 -1.323) 13.749 3.723 ( 0.000 13.685 1.323) 13.749 3.983 ( 0.000 -2.491 -0.920) 2.656 3.983 ( 0.000 -2.491 0.920) 2.656 4.371 ( 0.000 1.754 -9.898) 10.053 4.371 ( 0.000 1.754 9.898) 10.053 4.564 ( 0.000 -10.481 -2.474) 10.769 4.564 ( 0.000 -10.481 2.474) 10.769 4.984 ( 0.000 -1.587 -0.813) 1.783 4.984 ( 0.000 -1.587 0.813) 1.783 5.237 ( 0.000 8.204 -1.597) 8.358 5.237 ( 0.000 8.204 1.597) 8.358 5.276 ( 0.000 -6.152 -8.232) 10.277 5.276 ( 0.000 -6.152 8.232) 10.277 5.699 ( 0.000 -0.596 -3.669) 3.717 5.699 ( 0.000 -0.596 3.669) 3.717 6.189 ( 0.000 -1.682 -2.749) 3.222 6.189 ( 0.000 -1.682 2.749) 3.222 6.591 ( 0.000 -0.281 -1.031) 1.069 6.591 ( 0.000 -0.281 1.031) 1.069 6.760 ( 0.000 4.874 -1.710) 5.165 6.760 ( 0.000 4.874 1.710) 5.165 7.283 ( 0.000 0.130 -2.142) 2.146 7.283 ( 0.000 0.130 2.142) 2.146 7.357 ( 0.000 3.870 -3.834) 5.448 7.357 ( 0.000 3.870 3.834) 5.448 7.803 ( 0.000 -12.265 -0.291) 12.268 7.803 ( 0.000 -12.265 0.291) 12.268 8.294 ( 0.000 -0.067 -0.237) 0.246 8.294 ( 0.000 -0.067 0.237) 0.246 8.579 ( 0.000 -5.222 -0.975) 5.313 8.579 ( 0.000 -5.222 0.975) 5.313 8.888 ( 0.000 4.825 -5.260) 7.138 8.888 ( 0.000 4.825 5.260) 7.138 9.198 ( 0.000 2.421 -2.807) 3.707 9.198 ( 0.000 2.421 2.807) 3.707 9.732 ( 0.000 8.753 -3.672) 9.492 9.732 ( 0.000 8.753 3.672) 9.492 10.158 ( 0.000 -10.349 -3.969) 11.084 10.158 ( 0.000 -10.349 3.969) 11.084 11.214 ( 0.000 4.052 -0.752) 4.121 11.214 ( 0.000 4.052 0.752) 4.121 11.459 ( 0.000 -4.736 -0.190) 4.740 11.459 ( 0.000 -4.736 0.190) 4.740 11.882 ( 0.000 0.394 -3.754) 3.775 11.882 ( 0.000 0.394 3.755) 3.775 12.279 ( 0.000 1.405 -0.467) 1.481 12.279 ( 0.000 1.405 0.467) 1.481 12.708 ( 0.000 2.154 -2.181) 3.065 12.708 ( 0.000 2.154 2.181) 3.065 13.511 ( 0.000 2.293 -2.793) 3.613 13.511 ( 0.000 2.293 2.793) 3.613 14.890 ( 0.000 -0.461 -4.747) 4.769 14.890 ( 0.000 -0.461 4.747) 4.769 15.407 ( 0.000 -7.300 -2.847) 7.836 15.407 ( 0.000 -7.300 2.847) 7.836 19.310 ( 0.000 11.906 -0.461) 11.915 19.310 ( 0.000 11.906 0.461) 11.915 19.417 ( 0.000 9.402 -3.423) 10.006 19.417 ( 0.000 9.402 3.423) 10.006 20.443 ( 0.000 -4.024 -1.805) 4.410 20.443 ( 0.000 -4.024 1.805) 4.410 21.003 ( 0.000 -4.865 -0.804) 4.931 21.003 ( 0.000 -4.865 0.804) 4.931 22.227 ( 0.000 0.177 -0.535) 0.564 22.227 ( 0.000 0.177 0.535) 0.564 22.686 ( 0.000 -0.469 -0.766) 0.898 22.686 ( 0.000 -0.469 0.766) 0.898 23.978 ( 0.000 -1.061 -0.472) 1.162 23.978 ( 0.000 -1.061 0.472) 1.162 24.069 ( 0.000 -2.122 -4.197) 4.703 24.069 ( 0.000 -2.122 4.197) 4.703 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -3.350 2.963 -4.296) 6.201 2.479 ( -3.350 2.963 4.296) 6.201 2.640 ( -6.756 0.892 -1.448) 6.967 2.640 ( -6.756 0.892 1.448) 6.967 2.785 ( -1.437 2.838 -3.507) 4.735 2.785 ( -1.437 2.838 3.507) 4.735 2.951 ( -5.102 -0.608 -1.228) 5.283 2.951 ( -5.102 -0.608 1.228) 5.283 3.409 ( 7.570 10.030 -4.496) 13.346 3.409 ( 7.570 10.030 4.496) 13.346 3.645 ( 0.270 7.777 -4.074) 8.783 3.645 ( 0.270 7.777 4.074) 8.783 3.775 ( 6.041 12.934 -2.431) 14.480 3.775 ( 6.041 12.934 2.431) 14.480 4.036 ( 4.364 -0.357 -1.545) 4.644 4.036 ( 4.364 -0.357 1.545) 4.644 4.362 ( -0.719 -0.223 -8.176) 8.210 4.362 ( -0.719 -0.223 8.176) 8.210 4.525 ( -3.045 -11.231 -1.195) 11.697 4.525 ( -3.045 -11.231 1.195) 11.697 4.997 ( 1.780 -0.933 -2.181) 2.966 4.997 ( 1.780 -0.933 2.181) 2.966 5.190 ( -4.422 0.001 -5.168) 6.802 5.190 ( -4.422 0.001 5.168) 6.802 5.310 ( 2.951 3.241 -4.188) 6.063 5.310 ( 2.951 3.241 4.188) 6.063 5.672 ( -2.073 -2.732 -2.744) 4.392 5.672 ( -2.073 -2.732 2.745) 4.392 6.232 ( 3.595 -0.640 -1.650) 4.007 6.232 ( 3.595 -0.640 1.650) 4.007 6.552 ( -3.212 -1.349 -2.294) 4.171 6.552 ( -3.212 -1.349 2.294) 4.171 6.838 ( 6.037 6.433 -3.495) 9.489 6.838 ( 6.037 6.433 3.495) 9.489 7.285 ( -5.064 3.331 -1.677) 6.289 7.285 ( -5.064 3.331 1.677) 6.289 7.321 ( 2.282 1.681 -0.864) 2.963 7.321 ( 2.282 1.681 0.864) 2.963 7.774 ( -2.291 -14.764 -0.110) 14.942 7.774 ( -2.291 -14.764 0.110) 14.942 8.306 ( 0.966 0.826 -1.179) 1.734 8.306 ( 0.966 0.826 1.179) 1.734 8.555 ( -1.865 -5.499 -1.115) 5.912 8.555 ( -1.865 -5.499 1.115) 5.912 8.931 ( 3.377 5.063 -4.397) 7.508 8.931 ( 3.377 5.063 4.397) 7.508 9.167 ( -2.552 1.839 -2.755) 4.182 9.167 ( -2.552 1.839 2.755) 4.182 9.729 ( -0.176 8.782 -2.608) 9.163 9.729 ( -0.176 8.782 2.608) 9.163 10.166 ( 0.595 -10.930 -2.838) 11.308 10.166 ( 0.595 -10.930 2.838) 11.308 11.213 ( 0.033 3.673 -0.547) 3.714 11.213 ( 0.033 3.673 0.547) 3.714 11.420 ( -2.714 -4.177 -0.167) 4.984 11.420 ( -2.714 -4.177 0.167) 4.984 11.923 ( 2.902 2.725 -2.582) 4.745 11.923 ( 2.902 2.725 2.582) 4.745 12.277 ( -0.474 -3.055 -0.922) 3.226 12.277 ( -0.474 -3.055 0.922) 3.226 12.781 ( 6.147 6.343 -2.694) 9.235 12.781 ( 6.147 6.343 2.694) 9.235 13.409 ( -7.859 -0.157 -2.493) 8.247 13.409 ( -7.859 -0.157 2.493) 8.247 14.951 ( 4.472 1.503 -3.855) 6.093 14.951 ( 4.472 1.503 3.855) 6.093 15.375 ( -2.488 -8.485 -2.557) 9.204 15.375 ( -2.488 -8.485 2.557) 9.204 19.307 ( -0.219 11.813 -0.298) 11.818 19.307 ( -0.219 11.813 0.298) 11.818 19.415 ( -0.135 9.357 -2.346) 9.647 19.415 ( -0.135 9.357 2.346) 9.647 20.516 ( 6.014 -3.507 -2.044) 7.256 20.516 ( 6.014 -3.507 2.044) 7.256 20.931 ( -5.976 -5.352 -1.801) 8.222 20.931 ( -5.976 -5.352 1.801) 8.222 22.273 ( 4.137 0.411 -0.696) 4.215 22.273 ( 4.137 0.411 0.696) 4.215 22.601 ( -6.874 -0.505 -0.726) 6.931 22.601 ( -6.874 -0.505 0.726) 6.931 23.989 ( 0.898 0.380 -0.361) 1.040 23.989 ( 0.898 0.380 0.361) 1.040 24.102 ( 2.129 -3.695 -2.529) 4.958 24.102 ( 2.129 -3.695 2.529) 4.958 ======================= Grid point 259 (87/90) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 0.000 1.697 -0.000) 1.697 2.462 ( 0.000 1.697 0.000) 1.697 2.513 ( -0.000 0.010 0.000) 0.010 2.513 ( 0.000 0.010 0.000) 0.010 2.762 ( 0.000 3.612 0.000) 3.612 2.762 ( 0.000 3.612 0.000) 3.612 2.900 ( 0.000 -0.960 0.000) 0.960 2.900 ( 0.000 -0.960 0.000) 0.960 3.569 ( -0.000 5.280 0.000) 5.280 3.569 ( 0.000 5.280 0.000) 5.280 3.578 ( -0.000 15.511 -0.000) 15.511 3.578 ( 0.000 15.511 -0.000) 15.511 3.856 ( 0.000 11.225 0.000) 11.225 3.856 ( -0.000 11.225 0.000) 11.225 4.111 ( 0.000 3.840 0.000) 3.840 4.111 ( 0.000 3.840 0.000) 3.840 4.348 ( -0.000 -3.681 0.000) 3.681 4.348 ( 0.000 -3.681 0.000) 3.681 4.476 ( 0.000 -12.171 0.000) 12.171 4.476 ( 0.000 -12.171 0.000) 12.171 5.074 ( 0.000 0.953 -0.000) 0.953 5.074 ( -0.000 0.953 0.000) 0.953 5.077 ( -0.000 -2.500 -0.000) 2.500 5.077 ( 0.000 -2.500 0.000) 2.500 5.356 ( 0.000 6.344 0.000) 6.344 5.356 ( 0.000 6.344 0.000) 6.344 5.639 ( 0.000 -5.629 0.000) 5.629 5.639 ( 0.000 -5.629 0.000) 5.629 6.297 ( 0.000 1.815 0.000) 1.815 6.297 ( 0.000 1.815 0.000) 1.815 6.494 ( 0.000 -3.864 0.000) 3.864 6.494 ( 0.000 -3.864 0.000) 3.864 6.943 ( 0.000 10.082 0.000) 10.082 6.943 ( 0.000 10.082 0.000) 10.082 7.189 ( -0.000 0.747 0.000) 0.747 7.189 ( 0.000 0.747 0.000) 0.747 7.363 ( 0.000 4.197 0.000) 4.197 7.363 ( 0.000 4.197 0.000) 4.197 7.737 ( -0.000 -18.197 0.000) 18.197 7.737 ( 0.000 -18.197 0.000) 18.197 8.322 ( -0.000 2.165 0.000) 2.165 8.322 ( 0.000 2.165 0.000) 2.165 8.526 ( 0.000 -6.283 0.000) 6.283 8.526 ( 0.000 -6.283 0.000) 6.283 8.990 ( 0.000 6.206 -0.000) 6.206 8.990 ( -0.000 6.206 0.000) 6.206 9.119 ( -0.000 0.389 0.000) 0.389 9.119 ( 0.000 0.389 0.000) 0.389 9.727 ( 0.000 8.807 0.000) 8.807 9.727 ( 0.000 8.807 0.000) 8.807 10.175 ( 0.000 -11.522 0.000) 11.522 10.175 ( 0.000 -11.522 0.000) 11.522 11.215 ( 0.000 3.454 0.000) 3.454 11.215 ( 0.000 3.454 0.000) 3.454 11.382 ( 0.000 -3.809 0.000) 3.809 11.382 ( 0.000 -3.809 0.000) 3.809 11.966 ( -0.000 5.895 0.000) 5.895 11.966 ( 0.000 5.895 0.000) 5.895 12.265 ( -0.000 -7.805 0.000) 7.805 12.265 ( 0.000 -7.805 0.000) 7.805 12.893 ( 0.000 13.189 0.000) 13.189 12.893 ( 0.000 13.189 0.000) 13.189 13.275 ( -0.000 -5.661 0.000) 5.661 13.275 ( 0.000 -5.661 0.000) 5.661 15.019 ( 0.000 4.497 0.000) 4.497 15.019 ( 0.000 4.497 0.000) 4.497 15.334 ( -0.000 -10.805 0.000) 10.805 15.334 ( 0.000 -10.805 0.000) 10.805 19.304 ( 0.000 11.725 0.000) 11.725 19.304 ( 0.000 11.725 0.000) 11.725 19.413 ( 0.000 9.313 0.000) 9.313 19.413 ( 0.000 9.313 0.000) 9.313 20.635 ( 0.000 -1.466 0.000) 1.466 20.635 ( 0.000 -1.466 0.000) 1.466 20.811 ( -0.000 -7.368 0.000) 7.368 20.811 ( 0.000 -7.368 0.000) 7.368 22.378 ( 0.000 1.944 0.000) 1.944 22.378 ( -0.000 1.944 0.000) 1.944 22.457 ( 0.000 -1.842 0.000) 1.842 22.457 ( 0.000 -1.842 0.000) 1.842 24.003 ( -0.000 1.381 0.000) 1.381 24.003 ( 0.000 1.381 0.000) 1.381 24.130 ( 0.000 -4.829 0.000) 4.829 24.130 ( 0.000 -4.829 0.000) 4.829 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 -0.000 0.000) 0.000 2.808 ( 0.000 -0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 -0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 -0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 -0.000 0.000) 0.001 3.946 ( 0.000 0.001 0.001) 0.001 3.946 ( 0.000 -0.001 -0.001) 0.001 3.946 ( 0.000 0.000 -0.000) 0.001 4.400 ( 0.000 0.000 -0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 -0.000 0.000) 0.000 4.408 ( 0.000 -0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 6.184 ( 0.000 -0.000 0.000) 0.000 6.184 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.823 ( 0.000 -0.000 0.000) 0.000 6.823 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.687 ( 0.000 -0.000 0.000) 0.000 7.687 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.516 ( 0.000 -0.000 0.000) 0.000 8.516 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 9.225 ( 0.000 0.000 0.000) 0.000 9.225 ( 0.000 0.000 0.000) 0.000 9.904 ( 0.000 -0.000 0.000) 0.000 9.904 ( 0.000 -0.000 0.000) 0.000 9.965 ( 0.000 0.000 -0.000) 0.000 9.965 ( 0.000 0.000 0.000) 0.000 11.274 ( 0.000 -0.000 0.000) 0.000 11.274 ( 0.000 0.000 0.000) 0.000 11.391 ( 0.000 -0.000 0.000) 0.000 11.391 ( 0.000 0.000 0.000) 0.000 11.888 ( 0.000 0.000 0.000) 0.000 11.888 ( 0.000 0.000 0.000) 0.000 12.292 ( 0.000 -0.000 0.000) 0.000 12.292 ( 0.000 0.000 0.000) 0.000 12.730 ( 0.000 0.000 0.000) 0.000 12.730 ( 0.000 0.000 0.000) 0.000 13.537 ( 0.000 -0.000 0.000) 0.000 13.537 ( 0.000 0.000 0.000) 0.000 14.885 ( 0.000 0.000 0.000) 0.000 14.885 ( 0.000 0.000 0.000) 0.000 15.330 ( 0.000 0.000 0.000) 0.000 15.330 ( 0.000 0.000 0.000) 0.000 19.474 ( 0.000 0.000 0.000) 0.000 19.474 ( 0.000 0.000 0.000) 0.000 19.479 ( 0.000 -0.000 0.000) 0.000 19.479 ( 0.000 0.000 0.000) 0.000 20.401 ( 0.000 0.000 0.000) 0.000 20.401 ( 0.000 0.000 0.000) 0.000 20.946 ( 0.000 -0.000 0.000) 0.000 20.946 ( 0.000 0.000 0.000) 0.000 22.228 ( 0.000 0.000 0.000) 0.000 22.228 ( 0.000 0.000 0.000) 0.000 22.682 ( 0.000 0.000 0.000) 0.000 22.682 ( 0.000 0.000 0.000) 0.000 23.968 ( 0.000 0.000 0.000) 0.000 23.968 ( 0.000 0.000 0.000) 0.000 24.046 ( 0.000 0.000 0.000) 0.000 24.046 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -5.237 0.000 0.000) 5.237 2.516 ( -5.237 0.000 0.000) 5.237 2.644 ( -5.715 0.000 0.000) 5.715 2.644 ( -5.715 0.000 0.000) 5.715 2.824 ( 0.485 0.000 0.000) 0.485 2.824 ( 0.485 0.000 0.000) 0.485 2.917 ( -7.854 0.000 0.000) 7.854 2.917 ( -7.854 -0.000 0.000) 7.854 3.523 ( 8.302 0.000 0.000) 8.302 3.523 ( 8.302 0.000 0.000) 8.302 3.698 ( 2.943 0.000 0.000) 2.943 3.698 ( 2.943 0.000 0.000) 2.943 4.007 ( 5.231 0.000 0.000) 5.231 4.007 ( 5.231 0.000 0.000) 5.231 4.028 ( 7.329 -0.000 -0.000) 7.329 4.028 ( 7.329 0.000 0.000) 7.329 4.348 ( -4.981 -0.000 0.000) 4.981 4.348 ( -4.981 0.000 -0.000) 4.981 4.368 ( -3.037 -0.000 0.000) 3.037 4.368 ( -3.037 0.000 0.000) 3.037 4.980 ( 1.845 0.000 0.000) 1.845 4.980 ( 1.845 0.000 0.000) 1.845 5.149 ( -3.711 0.000 0.000) 3.711 5.149 ( -3.711 0.000 0.000) 3.711 5.392 ( 4.349 0.000 0.000) 4.349 5.392 ( 4.349 0.000 0.000) 4.349 5.640 ( -4.672 0.000 0.000) 4.672 5.640 ( -4.672 0.000 0.000) 4.672 6.240 ( 4.981 -0.000 0.000) 4.981 6.240 ( 4.981 0.000 0.000) 4.981 6.526 ( -4.880 0.000 0.000) 4.880 6.526 ( -4.880 0.000 0.000) 4.880 6.924 ( 8.196 -0.000 0.000) 8.196 6.924 ( 8.196 0.000 0.000) 8.196 7.291 ( 0.346 -0.000 0.000) 0.346 7.291 ( 0.346 0.000 0.000) 0.346 7.342 ( -1.475 -0.000 0.000) 1.475 7.342 ( -1.475 0.000 0.000) 1.475 7.617 ( -5.771 -0.000 0.000) 5.771 7.617 ( -5.771 0.000 0.000) 5.771 8.331 ( 2.389 0.000 0.000) 2.389 8.331 ( 2.389 0.000 0.000) 2.389 8.483 ( -2.830 -0.000 0.000) 2.830 8.483 ( -2.830 0.000 0.000) 2.830 8.988 ( 3.902 0.000 0.000) 3.902 8.988 ( 3.902 0.000 0.000) 3.902 9.186 ( -3.274 -0.000 0.000) 3.274 9.186 ( -3.274 0.000 0.000) 3.274 9.912 ( 0.721 -0.000 -0.000) 0.721 9.912 ( 0.721 0.000 0.000) 0.721 9.956 ( -0.779 0.000 0.000) 0.779 9.956 ( -0.779 0.000 0.000) 0.779 11.272 ( 0.179 -0.000 0.000) 0.179 11.272 ( 0.179 0.000 0.000) 0.179 11.355 ( -2.708 0.000 0.000) 2.708 11.355 ( -2.708 0.000 0.000) 2.708 11.959 ( 5.706 0.000 0.000) 5.706 11.959 ( 5.706 0.000 0.000) 5.706 12.238 ( -4.538 -0.000 0.000) 4.538 12.238 ( -4.538 0.000 0.000) 4.538 12.849 ( 9.876 0.000 0.000) 9.876 12.849 ( 9.876 0.000 0.000) 9.876 13.407 ( -10.590 0.000 0.000) 10.590 13.407 ( -10.590 0.000 0.000) 10.590 14.973 ( 6.931 0.000 0.000) 6.931 14.973 ( 6.931 0.000 0.000) 6.931 15.280 ( -4.382 0.000 0.000) 4.382 15.280 ( -4.382 0.000 0.000) 4.382 19.471 ( -0.160 -0.000 0.000) 0.160 19.471 ( -0.160 0.000 0.000) 0.160 19.475 ( -0.330 -0.000 0.000) 0.330 19.475 ( -0.330 0.000 0.000) 0.330 20.482 ( 6.841 0.000 0.000) 6.841 20.482 ( 6.841 0.000 0.000) 6.841 20.867 ( -6.741 -0.000 0.000) 6.741 20.867 ( -6.741 0.000 0.000) 6.741 22.277 ( 4.383 0.000 0.000) 4.383 22.277 ( 4.383 0.000 0.000) 4.383 22.595 ( -6.972 0.000 0.000) 6.972 22.595 ( -6.972 0.000 0.000) 6.972 23.999 ( 2.404 -0.000 0.000) 2.404 23.999 ( 2.404 0.000 0.000) 2.404 24.057 ( 0.521 0.000 0.000) 0.521 24.057 ( 0.521 0.000 0.000) 0.521 ======================= Grid point 273 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -3.440 -0.901 0.000) 3.556 2.497 ( -3.440 -0.901 0.000) 3.556 2.497 ( 3.440 0.901 0.000) 3.556 2.497 ( 3.440 0.901 0.000) 3.556 2.835 ( -0.130 -3.971 0.000) 3.974 2.835 ( -0.130 -3.971 0.000) 3.974 2.835 ( 0.130 3.971 0.000) 3.974 2.835 ( 0.130 3.972 0.000) 3.974 3.674 ( -2.275 -3.122 0.000) 3.864 3.674 ( -2.275 -3.122 0.000) 3.864 3.674 ( 2.275 3.122 0.000) 3.864 3.674 ( 2.275 3.122 0.000) 3.864 4.137 ( -0.340 -16.230 0.000) 16.233 4.137 ( -0.340 -16.230 0.000) 16.233 4.137 ( 0.340 16.230 0.000) 16.233 4.137 ( 0.340 16.230 0.000) 16.233 4.274 ( -0.539 -8.779 0.000) 8.796 4.274 ( -0.539 -8.779 0.000) 8.796 4.274 ( 0.539 8.779 0.000) 8.796 4.274 ( 0.539 8.779 0.000) 8.796 5.052 ( -4.201 -0.139 0.000) 4.203 5.052 ( -4.201 -0.139 0.000) 4.203 5.052 ( 4.201 0.139 0.000) 4.203 5.052 ( 4.201 0.139 0.000) 4.203 5.514 ( -2.300 -6.822 0.000) 7.199 5.514 ( -2.300 -6.822 0.000) 7.199 5.514 ( 2.300 6.822 0.000) 7.199 5.514 ( 2.300 6.822 0.000) 7.199 6.385 ( -3.642 -5.270 0.000) 6.406 6.385 ( -3.642 -5.270 0.000) 6.406 6.385 ( 3.642 5.270 0.000) 6.406 6.385 ( 3.642 5.270 0.000) 6.406 7.135 ( -5.249 -6.160 0.000) 8.093 7.135 ( -5.249 -6.160 0.000) 8.093 7.135 ( 5.249 6.160 0.000) 8.093 7.135 ( 5.249 6.160 0.000) 8.093 7.461 ( -3.089 -7.364 0.000) 7.985 7.461 ( -3.089 -7.364 0.000) 7.985 7.461 ( 3.089 7.364 0.000) 7.985 7.461 ( 3.089 7.364 0.000) 7.985 8.404 ( -1.241 -5.274 0.000) 5.418 8.404 ( -1.241 -5.274 0.000) 5.418 8.404 ( 1.241 5.274 0.000) 5.418 8.404 ( 1.241 5.274 0.000) 5.418 9.091 ( -2.853 -2.726 0.000) 3.946 9.091 ( -2.853 -2.726 0.000) 3.946 9.091 ( 2.853 2.726 0.000) 3.946 9.091 ( 2.853 2.726 0.000) 3.946 9.934 ( -0.050 -11.869 0.000) 11.869 9.934 ( -0.050 -11.869 0.000) 11.869 9.934 ( 0.050 11.869 0.000) 11.869 9.934 ( 0.050 11.869 0.000) 11.869 11.296 ( -0.485 -4.335 0.000) 4.362 11.296 ( -0.485 -4.335 0.000) 4.362 11.296 ( 0.485 4.335 0.000) 4.362 11.296 ( 0.485 4.335 0.000) 4.362 12.107 ( -2.708 -7.209 0.000) 7.701 12.107 ( -2.708 -7.209 0.000) 7.701 12.107 ( 2.708 7.209 0.000) 7.701 12.107 ( 2.708 7.209 0.000) 7.701 13.123 ( -7.820 -7.935 0.000) 11.141 13.123 ( -7.820 -7.935 0.000) 11.141 13.123 ( 7.820 7.935 0.000) 11.141 13.123 ( 7.820 7.935 0.000) 11.141 15.144 ( -3.160 -7.299 0.000) 7.953 15.144 ( -3.160 -7.299 0.000) 7.953 15.144 ( 3.160 7.299 0.000) 7.953 15.144 ( 3.160 7.299 0.000) 7.953 19.470 ( -0.001 -3.683 0.000) 3.683 19.470 ( -0.001 -3.683 0.000) 3.683 19.470 ( 0.001 3.683 0.000) 3.683 19.470 ( 0.001 3.683 0.000) 3.683 20.675 ( -6.402 -3.947 0.000) 7.521 20.675 ( -6.402 -3.947 0.000) 7.521 20.675 ( 6.402 3.947 0.000) 7.521 20.675 ( 6.402 3.947 0.000) 7.521 22.418 ( -6.983 -0.948 0.000) 7.047 22.418 ( -6.983 -0.948 0.000) 7.047 22.418 ( 6.983 0.948 0.000) 7.047 22.418 ( 6.983 0.948 0.000) 7.047 24.049 ( -0.344 -3.143 0.000) 3.162 24.049 ( -0.344 -3.143 0.000) 3.162 24.049 ( 0.344 3.143 0.000) 3.162 24.049 ( 0.344 3.143 0.000) 3.162 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/26880 10.0 1449.257 3643.769 3320.942 0.000 0.000 -0.000 3/26880 20.0 558.504 662.040 562.054 0.000 0.000 -0.000 3/26880 30.0 192.045 235.985 193.289 0.000 0.000 -0.000 3/26880 40.0 93.461 120.247 94.097 0.000 0.000 -0.000 3/26880 50.0 55.800 73.658 55.890 0.000 0.000 -0.000 3/26880 60.0 37.672 50.460 37.600 0.000 0.000 -0.000 3/26880 70.0 27.588 37.295 27.502 0.000 0.000 -0.000 3/26880 80.0 21.393 29.110 21.335 0.000 0.000 -0.000 3/26880 90.0 17.301 23.662 17.277 0.000 0.000 -0.000 3/26880 100.0 14.444 19.839 14.450 0.000 0.000 -0.000 3/26880 110.0 12.359 17.039 12.389 0.000 0.000 -0.000 3/26880 120.0 10.785 14.917 10.831 0.000 0.000 -0.000 3/26880 130.0 9.560 13.263 9.619 0.000 0.000 -0.000 3/26880 140.0 8.583 11.943 8.651 0.000 0.000 -0.000 3/26880 150.0 7.789 10.867 7.863 0.000 0.000 -0.000 3/26880 160.0 7.132 9.976 7.209 0.000 0.000 -0.000 3/26880 170.0 6.580 9.226 6.659 0.000 0.000 -0.000 3/26880 180.0 6.110 8.587 6.189 0.000 0.000 -0.000 3/26880 190.0 5.705 8.037 5.784 0.000 0.000 -0.000 3/26880 200.0 5.353 7.557 5.431 0.000 0.000 -0.000 3/26880 210.0 5.043 7.135 5.121 0.000 0.000 -0.000 3/26880 220.0 4.770 6.761 4.846 0.000 0.000 -0.000 3/26880 230.0 4.526 6.428 4.600 0.000 0.000 -0.000 3/26880 240.0 4.307 6.128 4.380 0.000 0.000 -0.000 3/26880 250.0 4.110 5.857 4.180 0.000 0.000 -0.000 3/26880 260.0 3.931 5.611 3.999 0.000 0.000 -0.000 3/26880 270.0 3.767 5.387 3.834 0.000 0.000 -0.000 3/26880 280.0 3.618 5.180 3.683 0.000 0.000 -0.000 3/26880 290.0 3.480 4.990 3.543 0.000 0.000 -0.000 3/26880 300.0 3.354 4.815 3.414 0.000 0.000 -0.000 3/26880 310.0 3.236 4.652 3.295 0.000 0.000 -0.000 3/26880 320.0 3.127 4.501 3.184 0.000 0.000 -0.000 3/26880 330.0 3.025 4.359 3.081 0.000 0.000 -0.000 3/26880 340.0 2.931 4.227 2.984 0.000 0.000 -0.000 3/26880 350.0 2.842 4.103 2.894 0.000 0.000 -0.000 3/26880 360.0 2.758 3.986 2.809 0.000 0.000 -0.000 3/26880 370.0 2.680 3.876 2.729 0.000 0.000 -0.000 3/26880 380.0 2.606 3.772 2.654 0.000 0.000 -0.000 3/26880 390.0 2.536 3.674 2.583 0.000 0.000 -0.000 3/26880 400.0 2.470 3.581 2.515 0.000 0.000 -0.000 3/26880 410.0 2.408 3.493 2.452 0.000 0.000 -0.000 3/26880 420.0 2.348 3.409 2.391 0.000 0.000 -0.000 3/26880 430.0 2.292 3.329 2.333 0.000 0.000 -0.000 3/26880 440.0 2.238 3.253 2.279 0.000 0.000 -0.000 3/26880 450.0 2.187 3.180 2.227 0.000 0.000 -0.000 3/26880 460.0 2.138 3.111 2.177 0.000 0.000 -0.000 3/26880 470.0 2.091 3.045 2.129 0.000 0.000 -0.000 3/26880 480.0 2.047 2.981 2.084 0.000 0.000 -0.000 3/26880 490.0 2.004 2.920 2.040 0.000 0.000 -0.000 3/26880 500.0 1.963 2.862 1.998 0.000 0.000 -0.000 3/26880 510.0 1.924 2.806 1.958 0.000 0.000 -0.000 3/26880 520.0 1.886 2.752 1.920 0.000 0.000 -0.000 3/26880 530.0 1.850 2.700 1.883 0.000 0.000 -0.000 3/26880 540.0 1.815 2.650 1.847 0.000 0.000 -0.000 3/26880 550.0 1.782 2.602 1.813 0.000 0.000 -0.000 3/26880 560.0 1.750 2.556 1.780 0.000 0.000 -0.000 3/26880 570.0 1.719 2.512 1.749 0.000 0.000 -0.000 3/26880 580.0 1.689 2.468 1.718 0.000 0.000 -0.000 3/26880 590.0 1.660 2.427 1.689 0.000 0.000 -0.000 3/26880 600.0 1.632 2.387 1.660 0.000 0.000 -0.000 3/26880 610.0 1.605 2.348 1.632 0.000 0.000 -0.000 3/26880 620.0 1.578 2.310 1.606 0.000 0.000 -0.000 3/26880 630.0 1.553 2.274 1.580 0.000 0.000 -0.000 3/26880 640.0 1.529 2.238 1.555 0.000 0.000 -0.000 3/26880 650.0 1.505 2.204 1.531 0.000 0.000 -0.000 3/26880 660.0 1.482 2.171 1.507 0.000 0.000 -0.000 3/26880 670.0 1.460 2.139 1.485 0.000 0.000 -0.000 3/26880 680.0 1.438 2.107 1.463 0.000 0.000 -0.000 3/26880 690.0 1.417 2.077 1.441 0.000 0.000 -0.000 3/26880 700.0 1.397 2.047 1.421 0.000 0.000 -0.000 3/26880 710.0 1.377 2.019 1.400 0.000 0.000 -0.000 3/26880 720.0 1.358 1.991 1.381 0.000 0.000 -0.000 3/26880 730.0 1.339 1.964 1.362 0.000 0.000 -0.000 3/26880 740.0 1.321 1.937 1.343 0.000 0.000 -0.000 3/26880 750.0 1.303 1.912 1.325 0.000 0.000 -0.000 3/26880 760.0 1.286 1.887 1.308 0.000 0.000 -0.000 3/26880 770.0 1.269 1.862 1.290 0.000 0.000 -0.000 3/26880 780.0 1.253 1.839 1.274 0.000 0.000 -0.000 3/26880 790.0 1.237 1.816 1.258 0.000 0.000 -0.000 3/26880 800.0 1.221 1.793 1.242 0.000 0.000 -0.000 3/26880 810.0 1.206 1.771 1.226 0.000 0.000 -0.000 3/26880 820.0 1.191 1.750 1.211 0.000 0.000 -0.000 3/26880 830.0 1.177 1.729 1.197 0.000 0.000 -0.000 3/26880 840.0 1.163 1.708 1.182 0.000 0.000 -0.000 3/26880 850.0 1.149 1.688 1.168 0.000 0.000 -0.000 3/26880 860.0 1.136 1.669 1.155 0.000 0.000 -0.000 3/26880 870.0 1.123 1.650 1.141 0.000 0.000 -0.000 3/26880 880.0 1.110 1.631 1.128 0.000 0.000 -0.000 3/26880 890.0 1.098 1.613 1.116 0.000 0.000 -0.000 3/26880 900.0 1.085 1.595 1.103 0.000 0.000 -0.000 3/26880 910.0 1.073 1.577 1.091 0.000 0.000 -0.000 3/26880 920.0 1.062 1.560 1.079 0.000 0.000 -0.000 3/26880 930.0 1.050 1.544 1.067 0.000 0.000 -0.000 3/26880 940.0 1.039 1.527 1.056 0.000 0.000 -0.000 3/26880 950.0 1.028 1.511 1.045 0.000 0.000 -0.000 3/26880 960.0 1.017 1.496 1.034 0.000 0.000 -0.000 3/26880 970.0 1.007 1.480 1.023 0.000 0.000 -0.000 3/26880 980.0 0.997 1.465 1.013 0.000 0.000 -0.000 3/26880 990.0 0.986 1.451 1.003 0.000 0.000 -0.000 3/26880 1000.0 0.977 1.436 0.993 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m4810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:08:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|