----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:03:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.073348630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.623470720000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.899521460000003 Atomic positions (fractional): *1 Tm 0.88814021599348 0.75000000000000 0.77839152560192 168.934 *2 Tm 0.86446066582449 0.75000000000000 0.44471889734114 168.934 3 Tm 0.63553933417551 0.25000000000000 0.94471889734114 168.934 4 Tm 0.61185978400652 0.25000000000000 0.27839152560192 168.934 5 Tm 0.38814021599348 0.75000000000000 0.72160847439808 168.934 6 Tm 0.36446066582449 0.75000000000000 0.05528110265886 168.934 7 Tm 0.13553933417551 0.25000000000000 0.55528110265886 168.934 8 Tm 0.11185978400652 0.25000000000000 0.22160847439808 168.934 *9 Ge 0.82624181685704 0.75000000000000 0.12042807343594 72.640 10 Ge 0.67375818314296 0.25000000000000 0.62042807343594 72.640 11 Ge 0.32624181685704 0.75000000000000 0.37957192656406 72.640 12 Ge 0.17375818314296 0.25000000000000 0.87957192656406 72.640 *13 O 0.00790194106640 0.75000000000000 0.60509020616852 15.999 *14 O 0.99540512911606 0.75000000000000 0.15489026253785 15.999 *15 O 0.76582792805646 0.25000000000000 0.11818945437591 15.999 *16 O 0.75602769849169 0.25000000000000 0.77057222113962 15.999 *17 O 0.77621020778622 0.75000000000000 0.96062526612975 15.999 18 O 0.72378979221378 0.25000000000000 0.46062526612975 15.999 19 O 0.74397230150831 0.75000000000000 0.27057222113962 15.999 20 O 0.73417207194354 0.75000000000000 0.61818945437591 15.999 21 O 0.50459487088394 0.25000000000000 0.65489026253785 15.999 22 O 0.49209805893360 0.25000000000000 0.10509020616852 15.999 23 O 0.50790194106640 0.75000000000000 0.89490979383148 15.999 24 O 0.49540512911606 0.75000000000000 0.34510973746215 15.999 25 O 0.26582792805646 0.25000000000000 0.38181054562409 15.999 26 O 0.25602769849169 0.25000000000000 0.72942777886038 15.999 27 O 0.27621020778622 0.75000000000000 0.53937473387025 15.999 28 O 0.22378979221378 0.25000000000000 0.03937473387025 15.999 29 O 0.24397230150831 0.75000000000000 0.22942777886037 15.999 30 O 0.23417207194354 0.75000000000000 0.88181054562409 15.999 31 O 0.00459487088394 0.25000000000000 0.84510973746215 15.999 32 O 0.99209805893360 0.25000000000000 0.39490979383149 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.073348630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.623470720000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.899521460000003 Atomic positions (fractional): *1 Tm 0.88814021599348 0.75000000000000 0.77839152560192 168.934 > 1 *2 Tm 0.86446066582449 0.75000000000000 0.44471889734114 168.934 > 2 3 Tm 0.63553933417551 0.25000000000000 0.94471889734114 168.934 > 3 4 Tm 0.61185978400652 0.25000000000000 0.27839152560192 168.934 > 4 5 Tm 0.38814021599348 0.75000000000000 0.72160847439808 168.934 > 5 6 Tm 0.36446066582449 0.75000000000000 0.05528110265886 168.934 > 6 7 Tm 0.13553933417551 0.25000000000000 0.55528110265886 168.934 > 7 8 Tm 0.11185978400652 0.25000000000000 0.22160847439808 168.934 > 8 *9 Ge 0.82624181685704 0.75000000000000 0.12042807343594 72.640 > 9 10 Ge 0.67375818314296 0.25000000000000 0.62042807343594 72.640 > 10 11 Ge 0.32624181685704 0.75000000000000 0.37957192656406 72.640 > 11 12 Ge 0.17375818314296 0.25000000000000 0.87957192656406 72.640 > 12 *13 O 0.00790194106640 0.75000000000000 0.60509020616852 15.999 > 13 *14 O 0.99540512911606 0.75000000000000 0.15489026253785 15.999 > 14 *15 O 0.76582792805646 0.25000000000000 0.11818945437591 15.999 > 15 *16 O 0.75602769849169 0.25000000000000 0.77057222113962 15.999 > 16 *17 O 0.77621020778622 0.75000000000000 0.96062526612975 15.999 > 17 18 O 0.72378979221378 0.25000000000000 0.46062526612975 15.999 > 18 19 O 0.74397230150831 0.75000000000000 0.27057222113962 15.999 > 19 20 O 0.73417207194354 0.75000000000000 0.61818945437591 15.999 > 20 21 O 0.50459487088394 0.25000000000000 0.65489026253785 15.999 > 21 22 O 0.49209805893360 0.25000000000000 0.10509020616852 15.999 > 22 23 O 0.50790194106640 0.75000000000000 0.89490979383148 15.999 > 23 24 O 0.49540512911606 0.75000000000000 0.34510973746215 15.999 > 24 25 O 0.26582792805646 0.25000000000000 0.38181054562409 15.999 > 25 26 O 0.25602769849169 0.25000000000000 0.72942777886038 15.999 > 26 27 O 0.27621020778622 0.75000000000000 0.53937473387025 15.999 > 27 28 O 0.22378979221378 0.25000000000000 0.03937473387025 15.999 > 28 29 O 0.24397230150831 0.75000000000000 0.22942777886037 15.999 > 29 30 O 0.23417207194354 0.75000000000000 0.88181054562409 15.999 > 30 31 O 0.00459487088394 0.25000000000000 0.84510973746215 15.999 > 31 32 O 0.99209805893360 0.25000000000000 0.39490979383149 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.073348630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.870412160000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.899521460000003 Atomic positions (fractional): *1 Tm 0.88814021599348 0.25000000000000 0.77839152560192 168.934 > 1 2 Tm 0.88814021599348 0.58333333333333 0.77839152560192 168.934 > 1 3 Tm 0.88814021599348 0.91666666666667 0.77839152560192 168.934 > 1 *4 Tm 0.86446066582449 0.25000000000000 0.44471889734114 168.934 > 2 5 Tm 0.86446066582449 0.58333333333333 0.44471889734114 168.934 > 2 6 Tm 0.86446066582449 0.91666666666667 0.44471889734114 168.934 > 2 7 Tm 0.63553933417551 0.08333333333333 0.94471889734114 168.934 > 3 8 Tm 0.63553933417551 0.41666666666667 0.94471889734114 168.934 > 3 9 Tm 0.63553933417551 0.75000000000000 0.94471889734114 168.934 > 3 10 Tm 0.61185978400652 0.08333333333333 0.27839152560192 168.934 > 4 11 Tm 0.61185978400652 0.41666666666667 0.27839152560192 168.934 > 4 12 Tm 0.61185978400652 0.75000000000000 0.27839152560192 168.934 > 4 13 Tm 0.38814021599348 0.25000000000000 0.72160847439808 168.934 > 5 14 Tm 0.38814021599348 0.58333333333333 0.72160847439808 168.934 > 5 15 Tm 0.38814021599348 0.91666666666667 0.72160847439808 168.934 > 5 16 Tm 0.36446066582449 0.25000000000000 0.05528110265886 168.934 > 6 17 Tm 0.36446066582449 0.58333333333333 0.05528110265886 168.934 > 6 18 Tm 0.36446066582449 0.91666666666667 0.05528110265886 168.934 > 6 19 Tm 0.13553933417551 0.08333333333333 0.55528110265886 168.934 > 7 20 Tm 0.13553933417551 0.41666666666667 0.55528110265886 168.934 > 7 21 Tm 0.13553933417551 0.75000000000000 0.55528110265886 168.934 > 7 22 Tm 0.11185978400652 0.08333333333333 0.22160847439808 168.934 > 8 23 Tm 0.11185978400652 0.41666666666667 0.22160847439808 168.934 > 8 24 Tm 0.11185978400652 0.75000000000000 0.22160847439808 168.934 > 8 *25 Ge 0.82624181685704 0.25000000000000 0.12042807343594 72.640 > 9 26 Ge 0.82624181685704 0.58333333333333 0.12042807343594 72.640 > 9 27 Ge 0.82624181685704 0.91666666666667 0.12042807343594 72.640 > 9 28 Ge 0.67375818314296 0.08333333333333 0.62042807343594 72.640 > 10 29 Ge 0.67375818314296 0.41666666666667 0.62042807343594 72.640 > 10 30 Ge 0.67375818314296 0.75000000000000 0.62042807343594 72.640 > 10 31 Ge 0.32624181685704 0.25000000000000 0.37957192656406 72.640 > 11 32 Ge 0.32624181685704 0.58333333333333 0.37957192656406 72.640 > 11 33 Ge 0.32624181685704 0.91666666666667 0.37957192656406 72.640 > 11 34 Ge 0.17375818314296 0.08333333333333 0.87957192656406 72.640 > 12 35 Ge 0.17375818314296 0.41666666666667 0.87957192656406 72.640 > 12 36 Ge 0.17375818314296 0.75000000000000 0.87957192656406 72.640 > 12 *37 O 0.00790194106640 0.25000000000000 0.60509020616852 15.999 > 13 38 O 0.00790194106640 0.58333333333333 0.60509020616852 15.999 > 13 39 O 0.00790194106640 0.91666666666667 0.60509020616852 15.999 > 13 *40 O 0.99540512911606 0.25000000000000 0.15489026253785 15.999 > 14 41 O 0.99540512911606 0.58333333333333 0.15489026253785 15.999 > 14 42 O 0.99540512911606 0.91666666666667 0.15489026253785 15.999 > 14 *43 O 0.76582792805646 0.08333333333333 0.11818945437591 15.999 > 15 44 O 0.76582792805646 0.41666666666667 0.11818945437591 15.999 > 15 45 O 0.76582792805646 0.75000000000000 0.11818945437591 15.999 > 15 *46 O 0.75602769849169 0.08333333333333 0.77057222113962 15.999 > 16 47 O 0.75602769849169 0.41666666666667 0.77057222113962 15.999 > 16 48 O 0.75602769849169 0.75000000000000 0.77057222113962 15.999 > 16 *49 O 0.77621020778622 0.25000000000000 0.96062526612975 15.999 > 17 50 O 0.77621020778622 0.58333333333333 0.96062526612975 15.999 > 17 51 O 0.77621020778622 0.91666666666667 0.96062526612975 15.999 > 17 52 O 0.72378979221378 0.08333333333333 0.46062526612975 15.999 > 18 53 O 0.72378979221378 0.41666666666667 0.46062526612975 15.999 > 18 54 O 0.72378979221378 0.75000000000000 0.46062526612975 15.999 > 18 55 O 0.74397230150831 0.25000000000000 0.27057222113962 15.999 > 19 56 O 0.74397230150831 0.58333333333333 0.27057222113962 15.999 > 19 57 O 0.74397230150831 0.91666666666667 0.27057222113962 15.999 > 19 58 O 0.73417207194354 0.25000000000000 0.61818945437591 15.999 > 20 59 O 0.73417207194354 0.58333333333333 0.61818945437591 15.999 > 20 60 O 0.73417207194354 0.91666666666667 0.61818945437591 15.999 > 20 61 O 0.50459487088394 0.08333333333333 0.65489026253785 15.999 > 21 62 O 0.50459487088394 0.41666666666667 0.65489026253785 15.999 > 21 63 O 0.50459487088394 0.75000000000000 0.65489026253785 15.999 > 21 64 O 0.49209805893360 0.08333333333333 0.10509020616852 15.999 > 22 65 O 0.49209805893360 0.41666666666667 0.10509020616852 15.999 > 22 66 O 0.49209805893360 0.75000000000000 0.10509020616852 15.999 > 22 67 O 0.50790194106640 0.25000000000000 0.89490979383148 15.999 > 23 68 O 0.50790194106640 0.58333333333333 0.89490979383148 15.999 > 23 69 O 0.50790194106640 0.91666666666667 0.89490979383148 15.999 > 23 70 O 0.49540512911606 0.25000000000000 0.34510973746215 15.999 > 24 71 O 0.49540512911606 0.58333333333333 0.34510973746215 15.999 > 24 72 O 0.49540512911606 0.91666666666667 0.34510973746215 15.999 > 24 73 O 0.26582792805646 0.08333333333333 0.38181054562409 15.999 > 25 74 O 0.26582792805646 0.41666666666667 0.38181054562409 15.999 > 25 75 O 0.26582792805646 0.75000000000000 0.38181054562409 15.999 > 25 76 O 0.25602769849169 0.08333333333333 0.72942777886038 15.999 > 26 77 O 0.25602769849169 0.41666666666667 0.72942777886038 15.999 > 26 78 O 0.25602769849169 0.75000000000000 0.72942777886038 15.999 > 26 79 O 0.27621020778622 0.25000000000000 0.53937473387025 15.999 > 27 80 O 0.27621020778622 0.58333333333333 0.53937473387025 15.999 > 27 81 O 0.27621020778622 0.91666666666667 0.53937473387025 15.999 > 27 82 O 0.22378979221378 0.08333333333333 0.03937473387025 15.999 > 28 83 O 0.22378979221378 0.41666666666667 0.03937473387025 15.999 > 28 84 O 0.22378979221378 0.75000000000000 0.03937473387025 15.999 > 28 85 O 0.24397230150831 0.25000000000000 0.22942777886037 15.999 > 29 86 O 0.24397230150831 0.58333333333333 0.22942777886037 15.999 > 29 87 O 0.24397230150831 0.91666666666667 0.22942777886037 15.999 > 29 88 O 0.23417207194354 0.25000000000000 0.88181054562409 15.999 > 30 89 O 0.23417207194354 0.58333333333333 0.88181054562409 15.999 > 30 90 O 0.23417207194354 0.91666666666667 0.88181054562409 15.999 > 30 91 O 0.00459487088394 0.08333333333333 0.84510973746215 15.999 > 31 92 O 0.00459487088394 0.41666666666667 0.84510973746215 15.999 > 31 93 O 0.00459487088394 0.75000000000000 0.84510973746215 15.999 > 31 94 O 0.99209805893360 0.08333333333333 0.39490979383149 15.999 > 32 95 O 0.99209805893360 0.41666666666667 0.39490979383149 15.999 > 32 96 O 0.99209805893360 0.75000000000000 0.39490979383149 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9559783 0.0000000 0.0000000 0.0000000 4.0559494 0.0000000 0.0000000 0.0000000 3.9953172 -------------------------- Born effective charges -------------------------- 1 Tm 3.8620308 0.0000000 -0.1709906 0.0000000 3.8180179 0.0000000 -0.4274698 0.0000000 3.7443001 2 Tm 3.7014387 0.0000000 0.2903220 0.0000000 3.7953079 0.0000000 0.1296417 0.0000000 3.4758441 3 Tm 3.7014387 0.0000000 -0.2903220 0.0000000 3.7953079 0.0000000 -0.1296417 0.0000000 3.4758441 4 Tm 3.8620308 0.0000000 0.1709906 0.0000000 3.8180179 0.0000000 0.4274698 0.0000000 3.7443001 5 Tm 3.8620308 0.0000000 0.1709906 0.0000000 3.8180179 0.0000000 0.4274698 0.0000000 3.7443001 6 Tm 3.7014387 0.0000000 -0.2903220 0.0000000 3.7953079 0.0000000 -0.1296417 0.0000000 3.4758441 7 Tm 3.7014387 0.0000000 0.2903220 0.0000000 3.7953079 0.0000000 0.1296417 0.0000000 3.4758441 8 Tm 3.8620308 0.0000000 -0.1709906 0.0000000 3.8180179 0.0000000 -0.4274698 0.0000000 3.7443001 9 Ge 3.1702922 0.0000000 0.1253538 0.0000000 4.1727320 0.0000000 0.3078334 0.0000000 3.6884007 10 Ge 3.1702922 0.0000000 -0.1253538 0.0000000 4.1727320 0.0000000 -0.3078334 0.0000000 3.6884007 11 Ge 3.1702922 0.0000000 -0.1253538 0.0000000 4.1727320 0.0000000 -0.3078334 0.0000000 3.6884007 12 Ge 3.1702922 0.0000000 0.1253538 0.0000000 4.1727320 0.0000000 0.3078334 0.0000000 3.6884007 13 O -2.3981695 0.0000000 0.1658212 0.0000000 -2.3301477 0.0000000 0.2689110 0.0000000 -2.4426297 14 O -2.6334176 0.0000000 -0.5032246 0.0000000 -2.1388655 0.0000000 -0.3490766 0.0000000 -1.5160265 15 O -1.6641655 0.0000000 -0.0470886 0.0000000 -2.8491616 0.0000000 -0.1465696 0.0000000 -1.8463014 16 O -2.1437885 0.0000000 0.0638316 0.0000000 -2.2905071 0.0000000 0.0927793 0.0000000 -2.4298020 17 O -1.8942206 0.0000000 0.1330809 0.0000000 -2.1773758 0.0000000 0.0231585 0.0000000 -2.6737854 18 O -1.8942206 0.0000000 -0.1330809 0.0000000 -2.1773758 0.0000000 -0.0231585 0.0000000 -2.6737854 19 O -2.1437885 0.0000000 -0.0638316 0.0000000 -2.2905071 0.0000000 -0.0927793 0.0000000 -2.4298020 20 O -1.6641655 0.0000000 0.0470886 0.0000000 -2.8491616 0.0000000 0.1465696 0.0000000 -1.8463014 21 O -2.6334176 0.0000000 0.5032246 0.0000000 -2.1388655 0.0000000 0.3490766 0.0000000 -1.5160265 22 O -2.3981695 0.0000000 -0.1658212 0.0000000 -2.3301477 0.0000000 -0.2689110 0.0000000 -2.4426297 23 O -2.3981695 0.0000000 -0.1658212 0.0000000 -2.3301477 0.0000000 -0.2689110 0.0000000 -2.4426297 24 O -2.6334176 0.0000000 0.5032246 0.0000000 -2.1388655 0.0000000 0.3490766 0.0000000 -1.5160265 25 O -1.6641655 0.0000000 0.0470886 0.0000000 -2.8491616 0.0000000 0.1465696 0.0000000 -1.8463014 26 O -2.1437885 0.0000000 -0.0638316 0.0000000 -2.2905071 0.0000000 -0.0927793 0.0000000 -2.4298020 27 O -1.8942206 0.0000000 -0.1330809 0.0000000 -2.1773758 0.0000000 -0.0231585 0.0000000 -2.6737854 28 O -1.8942206 0.0000000 0.1330809 0.0000000 -2.1773758 0.0000000 0.0231585 0.0000000 -2.6737854 29 O -2.1437885 0.0000000 0.0638316 0.0000000 -2.2905071 0.0000000 0.0927793 0.0000000 -2.4298020 30 O -1.6641655 0.0000000 -0.0470886 0.0000000 -2.8491616 0.0000000 -0.1465696 0.0000000 -1.8463014 31 O -2.6334176 0.0000000 -0.5032246 0.0000000 -2.1388655 0.0000000 -0.3490766 0.0000000 -1.5160265 32 O -2.3981695 0.0000000 0.1658212 0.0000000 -2.3301477 0.0000000 0.2689110 0.0000000 -2.4426297 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.601 Solver_block: 200 / 480 - Time: 2.579 Solver_block: 300 / 480 - Time: 2.587 Solver_block: 400 / 480 - Time: 2.578 Solver_block: 480 / 480 - Time: 2.122 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.578 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:04:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:04:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.073348630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.623470720000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.899521460000003 Atomic positions (fractional): 1 Tm 0.88814021599348 0.75000000000000 0.77839152560192 168.934 2 Tm 0.86446066582449 0.75000000000000 0.44471889734114 168.934 3 Tm 0.63553933417551 0.25000000000000 0.94471889734114 168.934 4 Tm 0.61185978400652 0.25000000000000 0.27839152560192 168.934 5 Tm 0.38814021599348 0.75000000000000 0.72160847439808 168.934 6 Tm 0.36446066582449 0.75000000000000 0.05528110265886 168.934 7 Tm 0.13553933417551 0.25000000000000 0.55528110265886 168.934 8 Tm 0.11185978400652 0.25000000000000 0.22160847439808 168.934 9 Ge 0.82624181685704 0.75000000000000 0.12042807343594 72.640 10 Ge 0.67375818314296 0.25000000000000 0.62042807343594 72.640 11 Ge 0.32624181685704 0.75000000000000 0.37957192656406 72.640 12 Ge 0.17375818314296 0.25000000000000 0.87957192656406 72.640 13 O 0.00790194106640 0.75000000000000 0.60509020616852 15.999 14 O 0.99540512911606 0.75000000000000 0.15489026253785 15.999 15 O 0.76582792805646 0.25000000000000 0.11818945437591 15.999 16 O 0.75602769849169 0.25000000000000 0.77057222113962 15.999 17 O 0.77621020778622 0.75000000000000 0.96062526612975 15.999 18 O 0.72378979221378 0.25000000000000 0.46062526612975 15.999 19 O 0.74397230150831 0.75000000000000 0.27057222113962 15.999 20 O 0.73417207194354 0.75000000000000 0.61818945437591 15.999 21 O 0.50459487088394 0.25000000000000 0.65489026253785 15.999 22 O 0.49209805893360 0.25000000000000 0.10509020616852 15.999 23 O 0.50790194106640 0.75000000000000 0.89490979383148 15.999 24 O 0.49540512911606 0.75000000000000 0.34510973746215 15.999 25 O 0.26582792805646 0.25000000000000 0.38181054562409 15.999 26 O 0.25602769849169 0.25000000000000 0.72942777886038 15.999 27 O 0.27621020778622 0.75000000000000 0.53937473387025 15.999 28 O 0.22378979221378 0.25000000000000 0.03937473387025 15.999 29 O 0.24397230150831 0.75000000000000 0.22942777886037 15.999 30 O 0.23417207194354 0.75000000000000 0.88181054562409 15.999 31 O 0.00459487088394 0.25000000000000 0.84510973746215 15.999 32 O 0.99209805893360 0.25000000000000 0.39490979383149 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.073348630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.870412160000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.899521460000003 Atomic positions (fractional): 1 Tm 0.88814021599348 0.25000000000000 0.77839152560192 168.934 > 1 2 Tm 0.88814021599348 0.58333333333333 0.77839152560192 168.934 > 1 3 Tm 0.88814021599348 0.91666666666667 0.77839152560192 168.934 > 1 4 Tm 0.86446066582449 0.25000000000000 0.44471889734114 168.934 > 4 5 Tm 0.86446066582449 0.58333333333333 0.44471889734114 168.934 > 4 6 Tm 0.86446066582449 0.91666666666667 0.44471889734114 168.934 > 4 7 Tm 0.63553933417551 0.08333333333333 0.94471889734114 168.934 > 7 8 Tm 0.63553933417551 0.41666666666667 0.94471889734114 168.934 > 7 9 Tm 0.63553933417551 0.75000000000000 0.94471889734114 168.934 > 7 10 Tm 0.61185978400652 0.08333333333333 0.27839152560192 168.934 > 10 11 Tm 0.61185978400652 0.41666666666667 0.27839152560192 168.934 > 10 12 Tm 0.61185978400652 0.75000000000000 0.27839152560192 168.934 > 10 13 Tm 0.38814021599348 0.25000000000000 0.72160847439808 168.934 > 13 14 Tm 0.38814021599348 0.58333333333333 0.72160847439808 168.934 > 13 15 Tm 0.38814021599348 0.91666666666667 0.72160847439808 168.934 > 13 16 Tm 0.36446066582449 0.25000000000000 0.05528110265886 168.934 > 16 17 Tm 0.36446066582449 0.58333333333333 0.05528110265886 168.934 > 16 18 Tm 0.36446066582449 0.91666666666667 0.05528110265886 168.934 > 16 19 Tm 0.13553933417551 0.08333333333333 0.55528110265886 168.934 > 19 20 Tm 0.13553933417551 0.41666666666667 0.55528110265886 168.934 > 19 21 Tm 0.13553933417551 0.75000000000000 0.55528110265886 168.934 > 19 22 Tm 0.11185978400652 0.08333333333333 0.22160847439808 168.934 > 22 23 Tm 0.11185978400652 0.41666666666667 0.22160847439808 168.934 > 22 24 Tm 0.11185978400652 0.75000000000000 0.22160847439808 168.934 > 22 25 Ge 0.82624181685704 0.25000000000000 0.12042807343594 72.640 > 25 26 Ge 0.82624181685704 0.58333333333333 0.12042807343594 72.640 > 25 27 Ge 0.82624181685704 0.91666666666667 0.12042807343594 72.640 > 25 28 Ge 0.67375818314296 0.08333333333333 0.62042807343594 72.640 > 28 29 Ge 0.67375818314296 0.41666666666667 0.62042807343594 72.640 > 28 30 Ge 0.67375818314296 0.75000000000000 0.62042807343594 72.640 > 28 31 Ge 0.32624181685704 0.25000000000000 0.37957192656406 72.640 > 31 32 Ge 0.32624181685704 0.58333333333333 0.37957192656406 72.640 > 31 33 Ge 0.32624181685704 0.91666666666667 0.37957192656406 72.640 > 31 34 Ge 0.17375818314296 0.08333333333333 0.87957192656406 72.640 > 34 35 Ge 0.17375818314296 0.41666666666667 0.87957192656406 72.640 > 34 36 Ge 0.17375818314296 0.75000000000000 0.87957192656406 72.640 > 34 37 O 0.00790194106640 0.25000000000000 0.60509020616852 15.999 > 37 38 O 0.00790194106640 0.58333333333333 0.60509020616852 15.999 > 37 39 O 0.00790194106640 0.91666666666667 0.60509020616852 15.999 > 37 40 O 0.99540512911606 0.25000000000000 0.15489026253785 15.999 > 40 41 O 0.99540512911606 0.58333333333333 0.15489026253785 15.999 > 40 42 O 0.99540512911606 0.91666666666667 0.15489026253785 15.999 > 40 43 O 0.76582792805646 0.08333333333333 0.11818945437591 15.999 > 43 44 O 0.76582792805646 0.41666666666667 0.11818945437591 15.999 > 43 45 O 0.76582792805646 0.75000000000000 0.11818945437591 15.999 > 43 46 O 0.75602769849169 0.08333333333333 0.77057222113962 15.999 > 46 47 O 0.75602769849169 0.41666666666667 0.77057222113962 15.999 > 46 48 O 0.75602769849169 0.75000000000000 0.77057222113962 15.999 > 46 49 O 0.77621020778622 0.25000000000000 0.96062526612975 15.999 > 49 50 O 0.77621020778622 0.58333333333333 0.96062526612975 15.999 > 49 51 O 0.77621020778622 0.91666666666667 0.96062526612975 15.999 > 49 52 O 0.72378979221378 0.08333333333333 0.46062526612975 15.999 > 52 53 O 0.72378979221378 0.41666666666667 0.46062526612975 15.999 > 52 54 O 0.72378979221378 0.75000000000000 0.46062526612975 15.999 > 52 55 O 0.74397230150831 0.25000000000000 0.27057222113962 15.999 > 55 56 O 0.74397230150831 0.58333333333333 0.27057222113962 15.999 > 55 57 O 0.74397230150831 0.91666666666667 0.27057222113962 15.999 > 55 58 O 0.73417207194354 0.25000000000000 0.61818945437591 15.999 > 58 59 O 0.73417207194354 0.58333333333333 0.61818945437591 15.999 > 58 60 O 0.73417207194354 0.91666666666667 0.61818945437591 15.999 > 58 61 O 0.50459487088394 0.08333333333333 0.65489026253785 15.999 > 61 62 O 0.50459487088394 0.41666666666667 0.65489026253785 15.999 > 61 63 O 0.50459487088394 0.75000000000000 0.65489026253785 15.999 > 61 64 O 0.49209805893360 0.08333333333333 0.10509020616852 15.999 > 64 65 O 0.49209805893360 0.41666666666667 0.10509020616852 15.999 > 64 66 O 0.49209805893360 0.75000000000000 0.10509020616852 15.999 > 64 67 O 0.50790194106640 0.25000000000000 0.89490979383148 15.999 > 67 68 O 0.50790194106640 0.58333333333333 0.89490979383148 15.999 > 67 69 O 0.50790194106640 0.91666666666667 0.89490979383148 15.999 > 67 70 O 0.49540512911606 0.25000000000000 0.34510973746215 15.999 > 70 71 O 0.49540512911606 0.58333333333333 0.34510973746215 15.999 > 70 72 O 0.49540512911606 0.91666666666667 0.34510973746215 15.999 > 70 73 O 0.26582792805646 0.08333333333333 0.38181054562409 15.999 > 73 74 O 0.26582792805646 0.41666666666667 0.38181054562409 15.999 > 73 75 O 0.26582792805646 0.75000000000000 0.38181054562409 15.999 > 73 76 O 0.25602769849169 0.08333333333333 0.72942777886038 15.999 > 76 77 O 0.25602769849169 0.41666666666667 0.72942777886038 15.999 > 76 78 O 0.25602769849169 0.75000000000000 0.72942777886038 15.999 > 76 79 O 0.27621020778622 0.25000000000000 0.53937473387025 15.999 > 79 80 O 0.27621020778622 0.58333333333333 0.53937473387025 15.999 > 79 81 O 0.27621020778622 0.91666666666667 0.53937473387025 15.999 > 79 82 O 0.22378979221378 0.08333333333333 0.03937473387025 15.999 > 82 83 O 0.22378979221378 0.41666666666667 0.03937473387025 15.999 > 82 84 O 0.22378979221378 0.75000000000000 0.03937473387025 15.999 > 82 85 O 0.24397230150831 0.25000000000000 0.22942777886037 15.999 > 85 86 O 0.24397230150831 0.58333333333333 0.22942777886037 15.999 > 85 87 O 0.24397230150831 0.91666666666667 0.22942777886037 15.999 > 85 88 O 0.23417207194354 0.25000000000000 0.88181054562409 15.999 > 88 89 O 0.23417207194354 0.58333333333333 0.88181054562409 15.999 > 88 90 O 0.23417207194354 0.91666666666667 0.88181054562409 15.999 > 88 91 O 0.00459487088394 0.08333333333333 0.84510973746215 15.999 > 91 92 O 0.00459487088394 0.41666666666667 0.84510973746215 15.999 > 91 93 O 0.00459487088394 0.75000000000000 0.84510973746215 15.999 > 91 94 O 0.99209805893360 0.08333333333333 0.39490979383149 15.999 > 94 95 O 0.99209805893360 0.41666666666667 0.39490979383149 15.999 > 94 96 O 0.99209805893360 0.75000000000000 0.39490979383149 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9559783 0.0000000 0.0000000 0.0000000 4.0559494 0.0000000 0.0000000 0.0000000 3.9953172 -------------------------- Born effective charges -------------------------- 1 Tm 3.8620308 0.0000000 -0.1709906 0.0000000 3.8180179 0.0000000 -0.4274698 0.0000000 3.7443001 2 Tm 3.7014387 0.0000000 0.2903220 0.0000000 3.7953079 0.0000000 0.1296417 0.0000000 3.4758441 3 Tm 3.7014387 0.0000000 -0.2903220 0.0000000 3.7953079 0.0000000 -0.1296417 0.0000000 3.4758441 4 Tm 3.8620308 0.0000000 0.1709906 0.0000000 3.8180179 0.0000000 0.4274698 0.0000000 3.7443001 5 Tm 3.8620308 0.0000000 0.1709906 0.0000000 3.8180179 0.0000000 0.4274698 0.0000000 3.7443001 6 Tm 3.7014387 0.0000000 -0.2903220 0.0000000 3.7953079 0.0000000 -0.1296417 0.0000000 3.4758441 7 Tm 3.7014387 0.0000000 0.2903220 0.0000000 3.7953079 0.0000000 0.1296417 0.0000000 3.4758441 8 Tm 3.8620308 0.0000000 -0.1709906 0.0000000 3.8180179 0.0000000 -0.4274698 0.0000000 3.7443001 9 Ge 3.1702922 0.0000000 0.1253538 0.0000000 4.1727320 0.0000000 0.3078334 0.0000000 3.6884007 10 Ge 3.1702922 0.0000000 -0.1253538 0.0000000 4.1727320 0.0000000 -0.3078334 0.0000000 3.6884007 11 Ge 3.1702922 0.0000000 -0.1253538 0.0000000 4.1727320 0.0000000 -0.3078334 0.0000000 3.6884007 12 Ge 3.1702922 0.0000000 0.1253538 0.0000000 4.1727320 0.0000000 0.3078334 0.0000000 3.6884007 13 O -2.3981695 0.0000000 0.1658212 0.0000000 -2.3301477 0.0000000 0.2689110 0.0000000 -2.4426297 14 O -2.6334176 0.0000000 -0.5032246 0.0000000 -2.1388655 0.0000000 -0.3490766 0.0000000 -1.5160265 15 O -1.6641655 0.0000000 -0.0470886 0.0000000 -2.8491616 0.0000000 -0.1465696 0.0000000 -1.8463014 16 O -2.1437885 0.0000000 0.0638316 0.0000000 -2.2905071 0.0000000 0.0927793 0.0000000 -2.4298020 17 O -1.8942206 0.0000000 0.1330809 0.0000000 -2.1773758 0.0000000 0.0231585 0.0000000 -2.6737854 18 O -1.8942206 0.0000000 -0.1330809 0.0000000 -2.1773758 0.0000000 -0.0231585 0.0000000 -2.6737854 19 O -2.1437885 0.0000000 -0.0638316 0.0000000 -2.2905071 0.0000000 -0.0927793 0.0000000 -2.4298020 20 O -1.6641655 0.0000000 0.0470886 0.0000000 -2.8491616 0.0000000 0.1465696 0.0000000 -1.8463014 21 O -2.6334176 0.0000000 0.5032246 0.0000000 -2.1388655 0.0000000 0.3490766 0.0000000 -1.5160265 22 O -2.3981695 0.0000000 -0.1658212 0.0000000 -2.3301477 0.0000000 -0.2689110 0.0000000 -2.4426297 23 O -2.3981695 0.0000000 -0.1658212 0.0000000 -2.3301477 0.0000000 -0.2689110 0.0000000 -2.4426297 24 O -2.6334176 0.0000000 0.5032246 0.0000000 -2.1388655 0.0000000 0.3490766 0.0000000 -1.5160265 25 O -1.6641655 0.0000000 0.0470886 0.0000000 -2.8491616 0.0000000 0.1465696 0.0000000 -1.8463014 26 O -2.1437885 0.0000000 -0.0638316 0.0000000 -2.2905071 0.0000000 -0.0927793 0.0000000 -2.4298020 27 O -1.8942206 0.0000000 -0.1330809 0.0000000 -2.1773758 0.0000000 -0.0231585 0.0000000 -2.6737854 28 O -1.8942206 0.0000000 0.1330809 0.0000000 -2.1773758 0.0000000 0.0231585 0.0000000 -2.6737854 29 O -2.1437885 0.0000000 0.0638316 0.0000000 -2.2905071 0.0000000 0.0927793 0.0000000 -2.4298020 30 O -1.6641655 0.0000000 -0.0470886 0.0000000 -2.8491616 0.0000000 -0.1465696 0.0000000 -1.8463014 31 O -2.6334176 0.0000000 -0.5032246 0.0000000 -2.1388655 0.0000000 -0.3490766 0.0000000 -1.5160265 32 O -2.3981695 0.0000000 0.1658212 0.0000000 -2.3301477 0.0000000 0.2689110 0.0000000 -2.4426297 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:04:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:04:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.073348630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.623470720000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.899521460000003 Atomic positions (fractional): 1 Tm 0.88814021599348 0.75000000000000 0.77839152560192 168.934 2 Tm 0.86446066582449 0.75000000000000 0.44471889734114 168.934 3 Tm 0.63553933417551 0.25000000000000 0.94471889734114 168.934 4 Tm 0.61185978400652 0.25000000000000 0.27839152560192 168.934 5 Tm 0.38814021599348 0.75000000000000 0.72160847439808 168.934 6 Tm 0.36446066582449 0.75000000000000 0.05528110265886 168.934 7 Tm 0.13553933417551 0.25000000000000 0.55528110265886 168.934 8 Tm 0.11185978400652 0.25000000000000 0.22160847439808 168.934 9 Ge 0.82624181685704 0.75000000000000 0.12042807343594 72.640 10 Ge 0.67375818314296 0.25000000000000 0.62042807343594 72.640 11 Ge 0.32624181685704 0.75000000000000 0.37957192656406 72.640 12 Ge 0.17375818314296 0.25000000000000 0.87957192656406 72.640 13 O 0.00790194106640 0.75000000000000 0.60509020616852 15.999 14 O 0.99540512911606 0.75000000000000 0.15489026253785 15.999 15 O 0.76582792805646 0.25000000000000 0.11818945437591 15.999 16 O 0.75602769849169 0.25000000000000 0.77057222113962 15.999 17 O 0.77621020778622 0.75000000000000 0.96062526612975 15.999 18 O 0.72378979221378 0.25000000000000 0.46062526612975 15.999 19 O 0.74397230150831 0.75000000000000 0.27057222113962 15.999 20 O 0.73417207194354 0.75000000000000 0.61818945437591 15.999 21 O 0.50459487088394 0.25000000000000 0.65489026253785 15.999 22 O 0.49209805893360 0.25000000000000 0.10509020616852 15.999 23 O 0.50790194106640 0.75000000000000 0.89490979383148 15.999 24 O 0.49540512911606 0.75000000000000 0.34510973746215 15.999 25 O 0.26582792805646 0.25000000000000 0.38181054562409 15.999 26 O 0.25602769849169 0.25000000000000 0.72942777886038 15.999 27 O 0.27621020778622 0.75000000000000 0.53937473387025 15.999 28 O 0.22378979221378 0.25000000000000 0.03937473387025 15.999 29 O 0.24397230150831 0.75000000000000 0.22942777886037 15.999 30 O 0.23417207194354 0.75000000000000 0.88181054562409 15.999 31 O 0.00459487088394 0.25000000000000 0.84510973746215 15.999 32 O 0.99209805893360 0.25000000000000 0.39490979383149 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.073348630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.870412160000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.899521460000003 Atomic positions (fractional): 1 Tm 0.88814021599348 0.25000000000000 0.77839152560192 168.934 > 1 2 Tm 0.88814021599348 0.58333333333333 0.77839152560192 168.934 > 1 3 Tm 0.88814021599348 0.91666666666667 0.77839152560192 168.934 > 1 4 Tm 0.86446066582449 0.25000000000000 0.44471889734114 168.934 > 4 5 Tm 0.86446066582449 0.58333333333333 0.44471889734114 168.934 > 4 6 Tm 0.86446066582449 0.91666666666667 0.44471889734114 168.934 > 4 7 Tm 0.63553933417551 0.08333333333333 0.94471889734114 168.934 > 7 8 Tm 0.63553933417551 0.41666666666667 0.94471889734114 168.934 > 7 9 Tm 0.63553933417551 0.75000000000000 0.94471889734114 168.934 > 7 10 Tm 0.61185978400652 0.08333333333333 0.27839152560192 168.934 > 10 11 Tm 0.61185978400652 0.41666666666667 0.27839152560192 168.934 > 10 12 Tm 0.61185978400652 0.75000000000000 0.27839152560192 168.934 > 10 13 Tm 0.38814021599348 0.25000000000000 0.72160847439808 168.934 > 13 14 Tm 0.38814021599348 0.58333333333333 0.72160847439808 168.934 > 13 15 Tm 0.38814021599348 0.91666666666667 0.72160847439808 168.934 > 13 16 Tm 0.36446066582449 0.25000000000000 0.05528110265886 168.934 > 16 17 Tm 0.36446066582449 0.58333333333333 0.05528110265886 168.934 > 16 18 Tm 0.36446066582449 0.91666666666667 0.05528110265886 168.934 > 16 19 Tm 0.13553933417551 0.08333333333333 0.55528110265886 168.934 > 19 20 Tm 0.13553933417551 0.41666666666667 0.55528110265886 168.934 > 19 21 Tm 0.13553933417551 0.75000000000000 0.55528110265886 168.934 > 19 22 Tm 0.11185978400652 0.08333333333333 0.22160847439808 168.934 > 22 23 Tm 0.11185978400652 0.41666666666667 0.22160847439808 168.934 > 22 24 Tm 0.11185978400652 0.75000000000000 0.22160847439808 168.934 > 22 25 Ge 0.82624181685704 0.25000000000000 0.12042807343594 72.640 > 25 26 Ge 0.82624181685704 0.58333333333333 0.12042807343594 72.640 > 25 27 Ge 0.82624181685704 0.91666666666667 0.12042807343594 72.640 > 25 28 Ge 0.67375818314296 0.08333333333333 0.62042807343594 72.640 > 28 29 Ge 0.67375818314296 0.41666666666667 0.62042807343594 72.640 > 28 30 Ge 0.67375818314296 0.75000000000000 0.62042807343594 72.640 > 28 31 Ge 0.32624181685704 0.25000000000000 0.37957192656406 72.640 > 31 32 Ge 0.32624181685704 0.58333333333333 0.37957192656406 72.640 > 31 33 Ge 0.32624181685704 0.91666666666667 0.37957192656406 72.640 > 31 34 Ge 0.17375818314296 0.08333333333333 0.87957192656406 72.640 > 34 35 Ge 0.17375818314296 0.41666666666667 0.87957192656406 72.640 > 34 36 Ge 0.17375818314296 0.75000000000000 0.87957192656406 72.640 > 34 37 O 0.00790194106640 0.25000000000000 0.60509020616852 15.999 > 37 38 O 0.00790194106640 0.58333333333333 0.60509020616852 15.999 > 37 39 O 0.00790194106640 0.91666666666667 0.60509020616852 15.999 > 37 40 O 0.99540512911606 0.25000000000000 0.15489026253785 15.999 > 40 41 O 0.99540512911606 0.58333333333333 0.15489026253785 15.999 > 40 42 O 0.99540512911606 0.91666666666667 0.15489026253785 15.999 > 40 43 O 0.76582792805646 0.08333333333333 0.11818945437591 15.999 > 43 44 O 0.76582792805646 0.41666666666667 0.11818945437591 15.999 > 43 45 O 0.76582792805646 0.75000000000000 0.11818945437591 15.999 > 43 46 O 0.75602769849169 0.08333333333333 0.77057222113962 15.999 > 46 47 O 0.75602769849169 0.41666666666667 0.77057222113962 15.999 > 46 48 O 0.75602769849169 0.75000000000000 0.77057222113962 15.999 > 46 49 O 0.77621020778622 0.25000000000000 0.96062526612975 15.999 > 49 50 O 0.77621020778622 0.58333333333333 0.96062526612975 15.999 > 49 51 O 0.77621020778622 0.91666666666667 0.96062526612975 15.999 > 49 52 O 0.72378979221378 0.08333333333333 0.46062526612975 15.999 > 52 53 O 0.72378979221378 0.41666666666667 0.46062526612975 15.999 > 52 54 O 0.72378979221378 0.75000000000000 0.46062526612975 15.999 > 52 55 O 0.74397230150831 0.25000000000000 0.27057222113962 15.999 > 55 56 O 0.74397230150831 0.58333333333333 0.27057222113962 15.999 > 55 57 O 0.74397230150831 0.91666666666667 0.27057222113962 15.999 > 55 58 O 0.73417207194354 0.25000000000000 0.61818945437591 15.999 > 58 59 O 0.73417207194354 0.58333333333333 0.61818945437591 15.999 > 58 60 O 0.73417207194354 0.91666666666667 0.61818945437591 15.999 > 58 61 O 0.50459487088394 0.08333333333333 0.65489026253785 15.999 > 61 62 O 0.50459487088394 0.41666666666667 0.65489026253785 15.999 > 61 63 O 0.50459487088394 0.75000000000000 0.65489026253785 15.999 > 61 64 O 0.49209805893360 0.08333333333333 0.10509020616852 15.999 > 64 65 O 0.49209805893360 0.41666666666667 0.10509020616852 15.999 > 64 66 O 0.49209805893360 0.75000000000000 0.10509020616852 15.999 > 64 67 O 0.50790194106640 0.25000000000000 0.89490979383148 15.999 > 67 68 O 0.50790194106640 0.58333333333333 0.89490979383148 15.999 > 67 69 O 0.50790194106640 0.91666666666667 0.89490979383148 15.999 > 67 70 O 0.49540512911606 0.25000000000000 0.34510973746215 15.999 > 70 71 O 0.49540512911606 0.58333333333333 0.34510973746215 15.999 > 70 72 O 0.49540512911606 0.91666666666667 0.34510973746215 15.999 > 70 73 O 0.26582792805646 0.08333333333333 0.38181054562409 15.999 > 73 74 O 0.26582792805646 0.41666666666667 0.38181054562409 15.999 > 73 75 O 0.26582792805646 0.75000000000000 0.38181054562409 15.999 > 73 76 O 0.25602769849169 0.08333333333333 0.72942777886038 15.999 > 76 77 O 0.25602769849169 0.41666666666667 0.72942777886038 15.999 > 76 78 O 0.25602769849169 0.75000000000000 0.72942777886038 15.999 > 76 79 O 0.27621020778622 0.25000000000000 0.53937473387025 15.999 > 79 80 O 0.27621020778622 0.58333333333333 0.53937473387025 15.999 > 79 81 O 0.27621020778622 0.91666666666667 0.53937473387025 15.999 > 79 82 O 0.22378979221378 0.08333333333333 0.03937473387025 15.999 > 82 83 O 0.22378979221378 0.41666666666667 0.03937473387025 15.999 > 82 84 O 0.22378979221378 0.75000000000000 0.03937473387025 15.999 > 82 85 O 0.24397230150831 0.25000000000000 0.22942777886037 15.999 > 85 86 O 0.24397230150831 0.58333333333333 0.22942777886037 15.999 > 85 87 O 0.24397230150831 0.91666666666667 0.22942777886037 15.999 > 85 88 O 0.23417207194354 0.25000000000000 0.88181054562409 15.999 > 88 89 O 0.23417207194354 0.58333333333333 0.88181054562409 15.999 > 88 90 O 0.23417207194354 0.91666666666667 0.88181054562409 15.999 > 88 91 O 0.00459487088394 0.08333333333333 0.84510973746215 15.999 > 91 92 O 0.00459487088394 0.41666666666667 0.84510973746215 15.999 > 91 93 O 0.00459487088394 0.75000000000000 0.84510973746215 15.999 > 91 94 O 0.99209805893360 0.08333333333333 0.39490979383149 15.999 > 94 95 O 0.99209805893360 0.41666666666667 0.39490979383149 15.999 > 94 96 O 0.99209805893360 0.75000000000000 0.39490979383149 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9559783 0.0000000 0.0000000 0.0000000 4.0559494 0.0000000 0.0000000 0.0000000 3.9953172 -------------------------- Born effective charges -------------------------- 1 Tm 3.8620308 0.0000000 -0.1709906 0.0000000 3.8180179 0.0000000 -0.4274698 0.0000000 3.7443001 2 Tm 3.7014387 0.0000000 0.2903220 0.0000000 3.7953079 0.0000000 0.1296417 0.0000000 3.4758441 3 Tm 3.7014387 0.0000000 -0.2903220 0.0000000 3.7953079 0.0000000 -0.1296417 0.0000000 3.4758441 4 Tm 3.8620308 0.0000000 0.1709906 0.0000000 3.8180179 0.0000000 0.4274698 0.0000000 3.7443001 5 Tm 3.8620308 0.0000000 0.1709906 0.0000000 3.8180179 0.0000000 0.4274698 0.0000000 3.7443001 6 Tm 3.7014387 0.0000000 -0.2903220 0.0000000 3.7953079 0.0000000 -0.1296417 0.0000000 3.4758441 7 Tm 3.7014387 0.0000000 0.2903220 0.0000000 3.7953079 0.0000000 0.1296417 0.0000000 3.4758441 8 Tm 3.8620308 0.0000000 -0.1709906 0.0000000 3.8180179 0.0000000 -0.4274698 0.0000000 3.7443001 9 Ge 3.1702922 0.0000000 0.1253538 0.0000000 4.1727320 0.0000000 0.3078334 0.0000000 3.6884007 10 Ge 3.1702922 0.0000000 -0.1253538 0.0000000 4.1727320 0.0000000 -0.3078334 0.0000000 3.6884007 11 Ge 3.1702922 0.0000000 -0.1253538 0.0000000 4.1727320 0.0000000 -0.3078334 0.0000000 3.6884007 12 Ge 3.1702922 0.0000000 0.1253538 0.0000000 4.1727320 0.0000000 0.3078334 0.0000000 3.6884007 13 O -2.3981695 0.0000000 0.1658212 0.0000000 -2.3301477 0.0000000 0.2689110 0.0000000 -2.4426297 14 O -2.6334176 0.0000000 -0.5032246 0.0000000 -2.1388655 0.0000000 -0.3490766 0.0000000 -1.5160265 15 O -1.6641655 0.0000000 -0.0470886 0.0000000 -2.8491616 0.0000000 -0.1465696 0.0000000 -1.8463014 16 O -2.1437885 0.0000000 0.0638316 0.0000000 -2.2905071 0.0000000 0.0927793 0.0000000 -2.4298020 17 O -1.8942206 0.0000000 0.1330809 0.0000000 -2.1773758 0.0000000 0.0231585 0.0000000 -2.6737854 18 O -1.8942206 0.0000000 -0.1330809 0.0000000 -2.1773758 0.0000000 -0.0231585 0.0000000 -2.6737854 19 O -2.1437885 0.0000000 -0.0638316 0.0000000 -2.2905071 0.0000000 -0.0927793 0.0000000 -2.4298020 20 O -1.6641655 0.0000000 0.0470886 0.0000000 -2.8491616 0.0000000 0.1465696 0.0000000 -1.8463014 21 O -2.6334176 0.0000000 0.5032246 0.0000000 -2.1388655 0.0000000 0.3490766 0.0000000 -1.5160265 22 O -2.3981695 0.0000000 -0.1658212 0.0000000 -2.3301477 0.0000000 -0.2689110 0.0000000 -2.4426297 23 O -2.3981695 0.0000000 -0.1658212 0.0000000 -2.3301477 0.0000000 -0.2689110 0.0000000 -2.4426297 24 O -2.6334176 0.0000000 0.5032246 0.0000000 -2.1388655 0.0000000 0.3490766 0.0000000 -1.5160265 25 O -1.6641655 0.0000000 0.0470886 0.0000000 -2.8491616 0.0000000 0.1465696 0.0000000 -1.8463014 26 O -2.1437885 0.0000000 -0.0638316 0.0000000 -2.2905071 0.0000000 -0.0927793 0.0000000 -2.4298020 27 O -1.8942206 0.0000000 -0.1330809 0.0000000 -2.1773758 0.0000000 -0.0231585 0.0000000 -2.6737854 28 O -1.8942206 0.0000000 0.1330809 0.0000000 -2.1773758 0.0000000 0.0231585 0.0000000 -2.6737854 29 O -2.1437885 0.0000000 0.0638316 0.0000000 -2.2905071 0.0000000 0.0927793 0.0000000 -2.4298020 30 O -1.6641655 0.0000000 -0.0470886 0.0000000 -2.8491616 0.0000000 -0.1465696 0.0000000 -1.8463014 31 O -2.6334176 0.0000000 -0.5032246 0.0000000 -2.1388655 0.0000000 -0.3490766 0.0000000 -1.5160265 32 O -2.3981695 0.0000000 0.1658212 0.0000000 -2.3301477 0.0000000 0.2689110 0.0000000 -2.4426297 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 287, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.901 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 5.088 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 6.007 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 8.422 ( 0.000 0.000 0.000) 0.000 8.590 ( 0.000 0.000 0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.742 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.573 ( 0.000 0.000 0.000) 0.000 9.818 ( 0.000 0.000 0.000) 0.000 9.955 ( 0.000 0.000 0.000) 0.000 10.008 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 10.478 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 0.000 0.000) 0.000 10.677 ( 0.000 0.000 0.000) 0.000 10.700 ( 0.000 0.000 0.000) 0.000 10.976 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 11.347 ( 0.000 0.000 0.000) 0.000 11.363 ( 0.000 0.000 0.000) 0.000 11.712 ( 0.000 0.000 0.000) 0.000 11.758 ( 0.000 0.000 0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 11.907 ( 0.000 0.000 0.000) 0.000 12.158 ( 0.000 0.000 0.000) 0.000 12.182 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 12.876 ( 0.000 0.000 0.000) 0.000 12.917 ( 0.000 0.000 0.000) 0.000 13.473 ( 0.000 0.000 0.000) 0.000 13.753 ( 0.000 0.000 0.000) 0.000 13.766 ( 0.000 0.000 0.000) 0.000 14.026 ( 0.000 0.000 0.000) 0.000 14.272 ( 0.000 0.000 0.000) 0.000 14.284 ( 0.000 0.000 0.000) 0.000 14.794 ( 0.000 0.000 0.000) 0.000 14.821 ( 0.000 0.000 0.000) 0.000 15.544 ( 0.000 0.000 0.000) 0.000 15.592 ( 0.000 0.000 0.000) 0.000 15.701 ( 0.000 0.000 0.000) 0.000 16.187 ( 0.000 0.000 0.000) 0.000 16.299 ( 0.000 0.000 0.000) 0.000 18.707 ( 0.000 0.000 0.000) 0.000 18.974 ( 0.000 0.000 0.000) 0.000 18.994 ( 0.000 0.000 0.000) 0.000 19.745 ( 0.000 0.000 0.000) 0.000 19.966 ( 0.000 0.000 0.000) 0.000 19.983 ( 0.000 0.000 0.000) 0.000 19.984 ( 0.000 0.000 0.000) 0.000 19.995 ( 0.000 0.000 0.000) 0.000 20.249 ( 0.000 0.000 0.000) 0.000 20.771 ( 0.000 0.000 0.000) 0.000 21.304 ( 0.000 0.000 0.000) 0.000 21.322 ( 0.000 0.000 0.000) 0.000 23.022 ( 0.000 0.000 0.000) 0.000 23.567 ( 0.000 0.000 0.000) 0.000 23.578 ( 0.000 0.000 0.000) 0.000 24.110 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 28.459 0.000 0.000) 28.459 0.655 ( 32.556 0.000 0.000) 32.556 1.060 ( 51.574 0.000 0.000) 51.574 2.090 ( -13.247 0.000 0.000) 13.247 2.294 ( -17.982 0.000 0.000) 17.982 2.318 ( 8.732 0.000 0.000) 8.732 2.409 ( -6.115 0.000 0.000) 6.115 2.614 ( -0.560 0.000 0.000) 0.560 2.660 ( 4.065 0.000 0.000) 4.065 2.682 ( 3.376 0.000 0.000) 3.376 2.861 ( -13.484 0.000 0.000) 13.484 3.074 ( -7.119 0.000 0.000) 7.119 3.098 ( -4.817 0.000 0.000) 4.817 3.287 ( 6.140 0.000 0.000) 6.140 3.338 ( 5.338 0.000 0.000) 5.338 3.392 ( 3.562 0.000 0.000) 3.562 3.565 ( -8.796 0.000 0.000) 8.796 3.689 ( 13.993 0.000 0.000) 13.993 3.835 ( 6.538 0.000 0.000) 6.538 4.203 ( -17.063 0.000 0.000) 17.063 4.352 ( 3.732 0.000 0.000) 3.732 4.544 ( -7.071 0.000 0.000) 7.071 4.573 ( 1.776 0.000 0.000) 1.776 4.630 ( 4.118 0.000 0.000) 4.118 4.763 ( -2.069 0.000 0.000) 2.069 4.878 ( -2.232 0.000 0.000) 2.232 5.076 ( 2.587 0.000 0.000) 2.587 5.091 ( -1.396 0.000 0.000) 1.396 5.710 ( 0.830 0.000 0.000) 0.830 5.969 ( -3.828 0.000 0.000) 3.828 5.992 ( 6.668 0.000 0.000) 6.668 6.176 ( -0.724 0.000 0.000) 0.724 6.751 ( 2.065 0.000 0.000) 2.065 6.911 ( 7.080 0.000 0.000) 7.080 7.218 ( -2.272 0.000 0.000) 2.272 7.240 ( -4.448 0.000 0.000) 4.448 7.279 ( 4.246 0.000 0.000) 4.246 7.421 ( 6.544 0.000 0.000) 6.544 7.773 ( 6.002 0.000 0.000) 6.002 7.841 ( -9.564 0.000 0.000) 9.564 8.526 ( 7.348 0.000 0.000) 7.348 8.592 ( 0.199 0.000 0.000) 0.199 8.616 ( -0.364 0.000 0.000) 0.364 8.742 ( -0.328 0.000 0.000) 0.328 9.504 ( -6.775 0.000 0.000) 6.775 9.697 ( -10.837 0.000 0.000) 10.837 9.825 ( 0.712 0.000 0.000) 0.712 9.964 ( -3.479 0.000 0.000) 3.479 9.991 ( 4.773 0.000 0.000) 4.773 10.312 ( 4.522 0.000 0.000) 4.522 10.471 ( -0.650 0.000 0.000) 0.650 10.602 ( 3.980 0.000 0.000) 3.980 10.712 ( 1.192 0.000 0.000) 1.192 10.798 ( -13.404 0.000 0.000) 13.404 11.086 ( -3.679 0.000 0.000) 3.679 11.189 ( -8.284 0.000 0.000) 8.284 11.336 ( 0.026 0.000 0.000) 0.026 11.503 ( 6.600 0.000 0.000) 6.600 11.672 ( -5.573 0.000 0.000) 5.573 11.707 ( -0.615 0.000 0.000) 0.615 12.002 ( 8.460 0.000 0.000) 8.460 12.085 ( 11.062 0.000 0.000) 11.062 12.214 ( 4.767 0.000 0.000) 4.767 12.232 ( 7.765 0.000 0.000) 7.765 12.886 ( 1.024 0.000 0.000) 1.024 12.926 ( 0.674 0.000 0.000) 0.674 13.384 ( -7.837 0.000 0.000) 7.837 13.754 ( 0.080 0.000 0.000) 0.080 13.764 ( -0.154 0.000 0.000) 0.154 13.773 ( -19.035 0.000 0.000) 19.035 14.273 ( 0.123 0.000 0.000) 0.123 14.283 ( -0.103 0.000 0.000) 0.103 14.569 ( 11.586 0.000 0.000) 11.586 14.830 ( 2.703 0.000 0.000) 2.703 15.481 ( -0.506 0.000 0.000) 0.506 15.543 ( -3.615 0.000 0.000) 3.615 15.580 ( 3.313 0.000 0.000) 3.313 15.721 ( 0.948 0.000 0.000) 0.948 16.312 ( 1.370 0.000 0.000) 1.370 16.500 ( -3.001 0.000 0.000) 3.001 18.733 ( 2.568 0.000 0.000) 2.568 18.950 ( -2.328 0.000 0.000) 2.328 19.751 ( 0.623 0.000 0.000) 0.623 19.776 ( 0.096 0.000 0.000) 0.096 19.966 ( -0.032 0.000 0.000) 0.032 19.979 ( -0.356 0.000 0.000) 0.356 19.988 ( 0.296 0.000 0.000) 0.296 19.997 ( 0.107 0.000 0.000) 0.107 20.297 ( 4.764 0.000 0.000) 4.764 20.736 ( -3.842 0.000 0.000) 3.842 21.264 ( -4.541 0.000 0.000) 4.541 21.391 ( -6.176 0.000 0.000) 6.176 23.100 ( 7.140 0.000 0.000) 7.140 23.528 ( -3.778 0.000 0.000) 3.778 24.174 ( 5.723 0.000 0.000) 5.723 24.498 ( -2.507 0.000 0.000) 2.507 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 27.554 0.000 0.000) 27.554 1.283 ( 30.370 0.000 0.000) 30.370 1.614 ( -17.476 0.000 0.000) 17.476 1.848 ( -26.088 0.000 0.000) 26.088 2.078 ( 28.956 0.000 0.000) 28.956 2.325 ( -2.872 0.000 0.000) 2.872 2.522 ( 9.909 0.000 0.000) 9.909 2.585 ( -1.789 0.000 0.000) 1.789 2.675 ( 1.091 0.000 0.000) 1.091 2.759 ( 3.851 0.000 0.000) 3.851 2.760 ( 4.677 0.000 0.000) 4.677 2.950 ( -4.330 0.000 0.000) 4.330 2.980 ( -6.055 0.000 0.000) 6.055 3.180 ( -31.559 0.000 0.000) 31.559 3.420 ( 2.739 0.000 0.000) 2.739 3.440 ( 0.831 0.000 0.000) 0.831 3.442 ( 9.996 0.000 0.000) 9.996 3.691 ( -15.439 0.000 0.000) 15.439 3.941 ( 9.796 0.000 0.000) 9.796 4.041 ( -0.311 0.000 0.000) 0.311 4.478 ( 7.132 0.000 0.000) 7.132 4.532 ( 1.563 0.000 0.000) 1.563 4.630 ( 3.688 0.000 0.000) 3.688 4.705 ( -3.568 0.000 0.000) 3.568 4.723 ( 4.917 0.000 0.000) 4.917 4.815 ( -4.057 0.000 0.000) 4.057 5.016 ( -4.233 0.000 0.000) 4.233 5.025 ( -4.897 0.000 0.000) 4.897 5.770 ( 4.526 0.000 0.000) 4.526 5.871 ( -5.405 0.000 0.000) 5.405 6.116 ( 4.978 0.000 0.000) 4.978 6.171 ( -0.640 0.000 0.000) 0.640 6.852 ( 8.371 0.000 0.000) 8.371 7.022 ( 4.469 0.000 0.000) 4.469 7.067 ( -11.877 0.000 0.000) 11.877 7.117 ( -5.342 0.000 0.000) 5.342 7.442 ( 10.801 0.000 0.000) 10.801 7.640 ( -3.293 0.000 0.000) 3.293 7.685 ( 8.048 0.000 0.000) 8.048 7.848 ( -1.188 0.000 0.000) 1.188 8.598 ( 0.393 0.000 0.000) 0.393 8.607 ( -0.494 0.000 0.000) 0.494 8.646 ( 4.346 0.000 0.000) 4.346 8.712 ( -2.662 0.000 0.000) 2.662 9.378 ( -2.861 0.000 0.000) 2.861 9.460 ( -10.410 0.000 0.000) 10.410 9.849 ( 1.780 0.000 0.000) 1.780 9.897 ( -3.025 0.000 0.000) 3.025 10.167 ( 12.699 0.000 0.000) 12.699 10.399 ( 3.664 0.000 0.000) 3.664 10.450 ( -1.614 0.000 0.000) 1.614 10.472 ( -17.247 0.000 0.000) 17.247 10.694 ( 4.467 0.000 0.000) 4.467 10.737 ( 0.463 0.000 0.000) 0.463 11.013 ( -2.329 0.000 0.000) 2.329 11.045 ( -5.451 0.000 0.000) 5.451 11.415 ( 6.489 0.000 0.000) 6.489 11.552 ( -6.678 0.000 0.000) 6.678 11.614 ( 4.472 0.000 0.000) 4.472 11.680 ( -2.242 0.000 0.000) 2.242 12.126 ( 3.897 0.000 0.000) 3.897 12.165 ( -0.094 0.000 0.000) 0.094 12.409 ( 9.327 0.000 0.000) 9.327 12.428 ( 8.124 0.000 0.000) 8.124 12.913 ( 1.662 0.000 0.000) 1.662 12.935 ( -0.079 0.000 0.000) 0.079 13.245 ( -2.779 0.000 0.000) 2.779 13.394 ( -16.606 0.000 0.000) 16.606 13.756 ( 0.166 0.000 0.000) 0.166 13.760 ( -0.211 0.000 0.000) 0.211 14.276 ( 0.190 0.000 0.000) 0.190 14.280 ( -0.177 0.000 0.000) 0.177 14.766 ( 7.626 0.000 0.000) 7.626 14.855 ( -1.193 0.000 0.000) 1.193 15.470 ( -0.274 0.000 0.000) 0.274 15.484 ( -1.912 0.000 0.000) 1.912 15.657 ( 3.879 0.000 0.000) 3.879 15.715 ( -1.711 0.000 0.000) 1.711 16.355 ( 2.997 0.000 0.000) 2.997 16.427 ( -3.998 0.000 0.000) 3.998 18.802 ( 4.143 0.000 0.000) 4.143 18.886 ( -3.987 0.000 0.000) 3.987 19.766 ( 0.687 0.000 0.000) 0.687 19.775 ( -0.227 0.000 0.000) 0.227 19.967 ( 0.144 0.000 0.000) 0.144 19.971 ( -0.325 0.000 0.000) 0.325 19.994 ( 0.275 0.000 0.000) 0.275 19.998 ( -0.086 0.000 0.000) 0.086 20.432 ( 8.518 0.000 0.000) 8.518 20.610 ( -8.495 0.000 0.000) 8.495 21.206 ( -0.210 0.000 0.000) 0.210 21.263 ( -5.507 0.000 0.000) 5.507 23.266 ( 8.673 0.000 0.000) 8.673 23.422 ( -6.758 0.000 0.000) 6.758 24.305 ( 6.741 0.000 0.000) 6.741 24.423 ( -4.972 0.000 0.000) 4.972 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.000 33.248 0.000) 33.248 0.722 ( 0.000 35.753 0.000) 35.753 1.114 ( 0.000 54.700 0.000) 54.700 2.246 ( 0.000 9.076 0.000) 9.076 2.356 ( 0.000 5.673 0.000) 5.673 2.412 ( 0.000 -2.462 0.000) 2.462 2.632 ( 0.000 0.413 0.000) 0.413 2.633 ( 0.000 6.888 0.000) 6.888 2.638 ( 0.000 4.020 0.000) 4.020 2.767 ( 0.000 12.051 0.000) 12.051 3.086 ( 0.000 -3.116 0.000) 3.116 3.097 ( 0.000 3.841 0.000) 3.841 3.211 ( 0.000 6.009 0.000) 6.009 3.270 ( 0.000 6.724 0.000) 6.724 3.328 ( 0.000 -2.025 0.000) 2.025 3.430 ( 0.000 12.595 0.000) 12.595 3.552 ( 0.000 5.876 0.000) 5.876 3.663 ( 0.000 2.365 0.000) 2.365 3.803 ( 0.000 7.314 0.000) 7.314 4.192 ( 0.000 -9.416 0.000) 9.416 4.355 ( 0.000 4.083 0.000) 4.083 4.654 ( 0.000 3.845 0.000) 3.845 4.738 ( 0.000 13.212 0.000) 13.212 4.957 ( 0.000 14.532 0.000) 14.532 5.022 ( 0.000 11.654 0.000) 11.654 5.046 ( 0.000 22.128 0.000) 22.128 5.105 ( 0.000 4.324 0.000) 4.324 5.136 ( 0.000 22.186 0.000) 22.186 5.730 ( 0.000 -1.014 0.000) 1.014 5.755 ( 0.000 3.303 0.000) 3.303 6.031 ( 0.000 2.857 0.000) 2.857 6.203 ( 0.000 1.471 0.000) 1.471 6.782 ( 0.000 3.072 0.000) 3.072 6.825 ( 0.000 2.046 0.000) 2.046 6.958 ( 0.000 1.804 0.000) 1.804 7.219 ( 0.000 1.014 0.000) 1.014 7.276 ( 0.000 2.546 0.000) 2.546 7.388 ( 0.000 2.530 0.000) 2.530 7.613 ( 0.000 -7.068 0.000) 7.068 7.791 ( 0.000 -0.760 0.000) 0.760 8.398 ( 0.000 -1.904 0.000) 1.904 8.618 ( 0.000 0.863 0.000) 0.863 8.889 ( 0.000 12.194 0.000) 12.194 9.122 ( 0.000 -7.817 0.000) 7.817 9.349 ( 0.000 3.997 0.000) 3.997 9.365 ( 0.000 -12.986 0.000) 12.986 9.899 ( 0.000 -0.840 0.000) 0.840 9.952 ( 0.000 -10.158 0.000) 10.158 10.168 ( 0.000 19.814 0.000) 19.814 10.516 ( 0.000 -1.794 0.000) 1.794 10.561 ( 0.000 0.510 0.000) 0.510 10.595 ( 0.000 12.144 0.000) 12.144 10.689 ( 0.000 -4.729 0.000) 4.729 11.030 ( 0.000 -4.648 0.000) 4.648 11.233 ( 0.000 -11.655 0.000) 11.655 11.238 ( 0.000 -5.392 0.000) 5.392 11.261 ( 0.000 19.563 0.000) 19.563 11.695 ( 0.000 -0.779 0.000) 0.779 11.855 ( 0.000 -4.148 0.000) 4.148 11.948 ( 0.000 14.515 0.000) 14.515 11.975 ( 0.000 5.974 0.000) 5.974 12.145 ( 0.000 -3.961 0.000) 3.961 12.169 ( 0.000 1.164 0.000) 1.164 12.320 ( 0.000 -10.944 0.000) 10.944 12.604 ( 0.000 -24.779 0.000) 24.779 12.660 ( 0.000 -23.216 0.000) 23.216 13.019 ( 0.000 -29.514 0.000) 29.514 13.421 ( 0.000 -22.421 0.000) 22.421 13.911 ( 0.000 -6.052 0.000) 6.052 14.001 ( 0.000 10.121 0.000) 10.121 14.315 ( 0.000 11.927 0.000) 11.927 14.336 ( 0.000 2.369 0.000) 2.369 14.912 ( 0.000 12.172 0.000) 12.172 15.152 ( 0.000 23.850 0.000) 23.850 15.569 ( 0.000 2.829 0.000) 2.829 15.689 ( 0.000 -0.997 0.000) 0.997 15.722 ( 0.000 11.337 0.000) 11.337 16.172 ( 0.000 -0.983 0.000) 0.983 16.283 ( 0.000 -0.807 0.000) 0.807 17.384 ( 0.000 -2.513 0.000) 2.513 18.705 ( 0.000 -23.885 0.000) 23.885 18.717 ( 0.000 0.489 0.000) 0.489 18.977 ( 0.000 -0.499 0.000) 0.499 19.067 ( 0.000 -39.294 0.000) 39.294 19.550 ( 0.000 -32.539 0.000) 32.539 19.815 ( 0.000 -31.737 0.000) 31.737 20.102 ( 0.000 7.512 0.000) 7.512 20.599 ( 0.000 30.709 0.000) 30.709 21.069 ( 0.000 19.581 0.000) 19.581 21.135 ( 0.000 26.307 0.000) 26.307 21.310 ( 0.000 -0.164 0.000) 0.164 21.432 ( 0.000 12.015 0.000) 12.015 23.034 ( 0.000 1.187 0.000) 1.187 23.514 ( 0.000 -5.215 0.000) 5.215 23.529 ( 0.000 -4.823 0.000) 4.823 24.025 ( 0.000 -8.409 0.000) 8.409 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 16.946 27.713 0.000) 32.483 0.919 ( 22.178 21.314 0.000) 30.760 1.512 ( 32.905 38.662 0.000) 50.769 2.169 ( -12.758 7.581 0.000) 14.841 2.306 ( -11.751 1.199 0.000) 11.812 2.376 ( 7.984 6.420 0.000) 10.245 2.499 ( -8.884 8.814 0.000) 12.515 2.645 ( -0.207 3.550 0.000) 3.556 2.681 ( 4.446 0.976 0.000) 4.552 2.781 ( 1.875 8.617 0.000) 8.818 2.873 ( -11.256 2.367 0.000) 11.502 3.119 ( -6.992 1.693 0.000) 7.194 3.137 ( -3.889 6.659 0.000) 7.711 3.320 ( 4.862 3.329 0.000) 5.893 3.417 ( 5.022 3.079 0.000) 5.891 3.434 ( 3.177 8.997 0.000) 9.541 3.601 ( -6.099 3.833 0.000) 7.203 3.716 ( 11.139 2.803 0.000) 11.487 3.885 ( 4.954 4.652 0.000) 6.796 4.082 ( -12.666 -7.171 0.000) 14.555 4.384 ( 3.405 4.141 0.000) 5.361 4.551 ( -7.186 3.124 0.000) 7.836 4.765 ( 3.247 9.547 0.000) 10.084 4.891 ( -0.779 24.974 0.000) 24.986 4.931 ( -2.459 13.253 0.000) 13.479 5.079 ( -0.899 13.838 0.000) 13.867 5.163 ( -0.293 15.157 0.000) 15.159 5.210 ( 3.762 14.802 0.000) 15.273 5.712 ( 1.595 1.091 0.000) 1.933 5.929 ( 9.749 -2.944 0.000) 10.184 5.990 ( -3.862 2.323 0.000) 4.507 6.165 ( -2.769 -0.555 0.000) 2.824 6.779 ( 2.219 2.716 0.000) 3.507 6.935 ( 6.694 2.446 0.000) 7.126 7.070 ( 5.275 -5.219 0.000) 7.420 7.203 ( -3.538 -2.213 0.000) 4.174 7.299 ( 4.063 2.097 0.000) 4.572 7.448 ( 7.979 4.644 0.000) 9.232 7.681 ( 5.416 -7.481 0.000) 9.236 7.796 ( -2.166 -1.222 0.000) 2.487 8.250 ( -6.773 -4.959 0.000) 8.395 8.583 ( -3.962 -1.580 0.000) 4.266 8.920 ( 3.238 14.014 0.000) 14.383 9.076 ( -1.706 8.425 0.000) 8.596 9.338 ( -2.489 -10.751 0.000) 11.035 9.517 ( 7.346 -6.393 0.000) 9.739 9.903 ( 0.110 1.520 0.000) 1.524 9.934 ( -2.254 -8.454 0.000) 8.749 10.185 ( 2.040 15.739 0.000) 15.871 10.398 ( -12.050 0.380 0.000) 12.056 10.524 ( -2.110 4.058 0.000) 4.574 10.595 ( -2.514 2.651 0.000) 3.654 10.632 ( 2.623 6.694 0.000) 7.190 10.983 ( -5.754 -3.308 0.000) 6.638 11.136 ( -3.233 -3.667 0.000) 4.888 11.238 ( -1.091 16.451 0.000) 16.487 11.375 ( 7.177 -9.385 0.000) 11.814 11.650 ( -2.625 -4.516 0.000) 5.224 11.728 ( -7.884 2.206 0.000) 8.186 11.863 ( -28.692 20.783 0.000) 35.429 12.048 ( 5.537 2.371 0.000) 6.023 12.125 ( 5.920 2.145 0.000) 6.296 12.197 ( 8.994 -1.723 0.000) 9.157 12.298 ( 11.798 6.922 0.000) 13.679 12.608 ( 0.442 -25.322 0.000) 25.326 12.666 ( 0.354 -23.184 0.000) 23.187 12.985 ( -3.233 -28.539 0.000) 28.721 13.342 ( -5.748 -26.728 0.000) 27.339 13.899 ( -8.076 5.243 0.000) 9.629 13.932 ( -7.095 1.806 0.000) 7.321 14.277 ( 1.319 7.998 0.000) 8.106 14.371 ( 2.120 5.950 0.000) 6.316 14.945 ( 2.444 11.154 0.000) 11.419 14.983 ( -9.144 27.603 0.000) 29.078 15.603 ( 2.962 2.565 0.000) 3.918 15.639 ( -2.184 4.988 0.000) 5.445 15.767 ( 1.939 7.712 0.000) 7.952 15.961 ( -14.832 24.272 0.000) 28.445 16.290 ( 0.756 -1.570 0.000) 1.743 16.608 ( -21.538 12.239 0.000) 24.772 18.736 ( 2.524 -1.098 0.000) 2.752 18.953 ( -2.388 -0.771 0.000) 2.509 18.988 ( 8.535 -38.829 0.000) 39.756 19.071 ( 0.297 -39.003 0.000) 39.004 19.550 ( -0.046 -32.306 0.000) 32.306 19.622 ( -6.259 -26.249 0.000) 26.985 20.369 ( 12.728 7.853 0.000) 14.956 20.609 ( 0.913 31.763 0.000) 31.776 20.815 ( -8.966 33.009 0.000) 34.205 21.089 ( -5.769 22.769 0.000) 23.488 21.259 ( -2.962 2.453 0.000) 3.846 21.459 ( -4.029 8.361 0.000) 9.281 23.079 ( 6.194 -1.435 0.000) 6.358 23.477 ( -3.550 -4.971 0.000) 6.108 24.045 ( 20.609 -27.278 0.000) 34.189 24.081 ( 4.900 -9.117 0.000) 10.350 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 22.446 17.635 0.000) 28.546 1.417 ( 25.746 11.345 0.000) 28.135 1.762 ( -18.524 13.160 0.000) 22.723 1.933 ( -23.515 6.971 0.000) 24.527 2.233 ( 23.233 15.963 0.000) 28.188 2.405 ( -1.943 8.298 0.000) 8.522 2.564 ( 9.445 4.772 0.000) 10.582 2.625 ( -1.397 4.393 0.000) 4.610 2.709 ( 0.473 3.218 0.000) 3.252 2.813 ( 7.074 4.984 0.000) 8.654 2.841 ( 3.411 7.226 0.000) 7.991 2.946 ( -10.960 -1.172 0.000) 11.022 3.049 ( -1.834 9.888 0.000) 10.056 3.306 ( -21.804 10.653 0.000) 24.268 3.439 ( 6.548 1.908 0.000) 6.821 3.502 ( -0.139 5.939 0.000) 5.941 3.513 ( 4.591 6.962 0.000) 8.340 3.694 ( -14.747 0.649 0.000) 14.761 3.916 ( 7.910 -1.498 0.000) 8.051 3.997 ( 0.073 -2.047 0.000) 2.048 4.474 ( 4.029 1.998 0.000) 4.497 4.500 ( 0.371 0.691 0.000) 0.784 4.830 ( 2.441 10.575 0.000) 10.853 4.875 ( -2.668 11.723 0.000) 12.023 4.954 ( 6.234 22.259 0.000) 23.116 5.086 ( -0.731 23.883 0.000) 23.894 5.094 ( -3.171 12.011 0.000) 12.422 5.179 ( -5.279 18.177 0.000) 18.928 5.784 ( 5.009 1.736 0.000) 5.302 5.892 ( -5.586 2.280 0.000) 6.034 6.076 ( 4.853 -3.804 0.000) 6.166 6.129 ( -1.193 -4.032 0.000) 4.205 6.878 ( 7.627 2.546 0.000) 8.041 7.028 ( 3.215 0.861 0.000) 3.328 7.056 ( -8.108 -0.645 0.000) 8.134 7.092 ( -3.852 -1.437 0.000) 4.111 7.460 ( 10.600 1.829 0.000) 10.757 7.644 ( 1.119 0.456 0.000) 1.208 7.681 ( -0.096 -0.033 0.000) 0.101 7.760 ( 0.824 -7.236 0.000) 7.282 8.270 ( 6.853 -10.843 0.000) 12.827 8.448 ( -9.272 -6.838 0.000) 11.521 9.012 ( 4.957 17.892 0.000) 18.566 9.059 ( -0.474 13.811 0.000) 13.819 9.306 ( 1.572 -4.610 0.000) 4.871 9.460 ( -10.914 2.240 0.000) 11.141 9.893 ( -0.518 -4.072 0.000) 4.105 9.897 ( -0.526 1.716 0.000) 1.795 10.246 ( 3.060 2.954 0.000) 4.253 10.272 ( -0.851 -5.069 0.000) 5.140 10.505 ( 0.786 8.517 0.000) 8.553 10.553 ( -2.808 8.682 0.000) 9.125 10.698 ( 4.351 1.745 0.000) 4.688 10.826 ( -8.470 0.344 0.000) 8.477 11.122 ( 2.119 7.225 0.000) 7.530 11.201 ( -4.043 15.147 0.000) 15.677 11.500 ( 4.727 -8.082 0.000) 9.363 11.522 ( -4.576 10.331 0.000) 11.299 11.585 ( -5.658 1.464 0.000) 5.844 11.597 ( -3.106 -7.105 0.000) 7.754 12.136 ( 3.029 0.329 0.000) 3.047 12.164 ( 0.138 -0.345 0.000) 0.372 12.435 ( 10.702 -0.985 0.000) 10.748 12.526 ( 4.819 5.392 0.000) 7.231 12.637 ( 3.782 -22.311 0.000) 22.630 12.671 ( 0.077 -22.413 0.000) 22.413 12.940 ( 2.381 -25.974 0.000) 26.083 13.155 ( -13.743 -22.243 0.000) 26.146 13.745 ( -5.353 3.332 0.000) 6.305 13.755 ( -5.082 -0.201 0.000) 5.086 14.354 ( 3.510 5.196 0.000) 6.270 14.391 ( -0.313 7.603 0.000) 7.609 14.929 ( 1.615 15.522 0.000) 15.606 14.966 ( -0.818 10.384 0.000) 10.416 15.632 ( 1.403 8.211 0.000) 8.330 15.654 ( 0.903 3.498 0.000) 3.613 15.780 ( -0.464 10.906 0.000) 10.916 15.788 ( -3.312 22.556 0.000) 22.798 16.321 ( 2.541 -3.109 0.000) 4.016 16.399 ( -5.635 -2.480 0.000) 6.157 18.804 ( 4.095 -1.033 0.000) 4.224 18.888 ( -4.003 -0.992 0.000) 4.124 19.068 ( 1.353 -38.778 0.000) 38.802 19.076 ( 0.151 -38.721 0.000) 38.721 19.550 ( 0.116 -31.445 0.000) 31.445 19.560 ( -1.193 -29.554 0.000) 29.578 20.577 ( 7.614 23.264 0.000) 24.478 20.627 ( 0.500 34.142 0.000) 34.146 20.744 ( 1.753 21.815 0.000) 21.885 20.902 ( -11.258 13.174 0.000) 17.329 21.255 ( 2.431 9.446 0.000) 9.754 21.343 ( -6.034 9.884 0.000) 11.580 23.231 ( 8.134 -3.197 0.000) 8.740 23.378 ( -6.351 -4.280 0.000) 7.659 24.183 ( 4.547 -11.528 0.000) 12.392 24.226 ( 1.380 -17.221 0.000) 17.277 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 31.584 0.000) 31.584 1.393 ( 0.000 31.942 0.000) 31.942 2.128 ( 0.000 47.455 0.000) 47.455 2.427 ( 0.000 4.142 0.000) 4.142 2.490 ( 0.000 14.084 0.000) 14.084 2.507 ( 0.000 10.279 0.000) 10.279 2.628 ( 0.000 -0.035 0.000) 0.035 2.756 ( 0.000 7.703 0.000) 7.703 2.774 ( 0.000 7.383 0.000) 7.383 3.034 ( 0.000 11.433 0.000) 11.433 3.078 ( 0.000 1.966 0.000) 1.966 3.194 ( 0.000 5.656 0.000) 5.656 3.282 ( 0.000 -0.167 0.000) 0.167 3.359 ( 0.000 8.173 0.000) 8.173 3.459 ( 0.000 10.214 0.000) 10.214 3.684 ( 0.000 12.757 0.000) 12.757 3.712 ( 0.000 11.123 0.000) 11.123 3.754 ( 0.000 6.400 0.000) 6.400 3.972 ( 0.000 7.650 0.000) 7.650 4.018 ( 0.000 -7.332 0.000) 7.332 4.489 ( 0.000 9.210 0.000) 9.210 4.752 ( 0.000 6.897 0.000) 6.897 4.929 ( 0.000 7.273 0.000) 7.273 5.050 ( 0.000 -0.072 0.000) 0.072 5.427 ( 0.000 24.298 0.000) 24.298 5.498 ( 0.000 19.007 0.000) 19.007 5.524 ( 0.000 30.949 0.000) 30.949 5.675 ( 0.000 18.487 0.000) 18.487 5.718 ( 0.000 11.605 0.000) 11.605 5.839 ( 0.000 5.153 0.000) 5.153 6.164 ( 0.000 12.778 0.000) 12.778 6.293 ( 0.000 10.142 0.000) 10.142 6.869 ( 0.000 5.649 0.000) 5.649 6.876 ( 0.000 2.893 0.000) 2.893 7.015 ( 0.000 4.181 0.000) 4.181 7.166 ( 0.000 -4.460 0.000) 4.460 7.358 ( 0.000 6.003 0.000) 6.003 7.486 ( 0.000 -4.619 0.000) 4.619 7.554 ( 0.000 12.845 0.000) 12.845 7.756 ( 0.000 -3.203 0.000) 3.203 8.375 ( 0.000 0.229 0.000) 0.229 8.655 ( 0.000 2.565 0.000) 2.565 8.982 ( 0.000 -5.166 0.000) 5.166 9.116 ( 0.000 -11.924 0.000) 11.924 9.152 ( 0.000 13.523 0.000) 13.523 9.434 ( 0.000 4.198 0.000) 4.198 9.654 ( 0.000 -15.981 0.000) 15.981 9.914 ( 0.000 2.878 0.000) 2.878 10.341 ( 0.000 -2.569 0.000) 2.569 10.466 ( 0.000 -10.335 0.000) 10.335 10.591 ( 0.000 2.725 0.000) 2.725 10.629 ( 0.000 0.966 0.000) 0.966 10.926 ( 0.000 -5.808 0.000) 5.808 10.961 ( 0.000 -14.909 0.000) 14.909 11.016 ( 0.000 26.006 0.000) 26.006 11.270 ( 0.000 8.808 0.000) 8.808 11.536 ( 0.000 4.666 0.000) 4.666 11.602 ( 0.000 -22.458 0.000) 22.458 11.712 ( 0.000 -6.450 0.000) 6.450 11.926 ( 0.000 -24.356 0.000) 24.356 12.016 ( 0.000 -31.171 0.000) 31.171 12.050 ( 0.000 -1.897 0.000) 1.897 12.068 ( 0.000 -2.973 0.000) 2.973 12.200 ( 0.000 1.898 0.000) 1.898 12.238 ( 0.000 14.095 0.000) 14.095 12.244 ( 0.000 -4.985 0.000) 4.985 12.544 ( 0.000 -16.137 0.000) 16.137 13.134 ( 0.000 -5.781 0.000) 5.781 13.782 ( 0.000 -7.634 0.000) 7.634 14.106 ( 0.000 1.614 0.000) 1.614 14.323 ( 0.000 -3.284 0.000) 3.284 14.494 ( 0.000 5.252 0.000) 5.252 15.224 ( 0.000 16.795 0.000) 16.795 15.518 ( 0.000 9.788 0.000) 9.788 15.671 ( 0.000 7.752 0.000) 7.752 15.686 ( 0.000 2.175 0.000) 2.175 15.908 ( 0.000 3.932 0.000) 3.932 16.199 ( 0.000 5.463 0.000) 5.463 16.336 ( 0.000 8.232 0.000) 8.232 17.314 ( 0.000 -4.488 0.000) 4.488 18.212 ( 0.000 -23.901 0.000) 23.901 18.324 ( 0.000 -35.518 0.000) 35.518 18.627 ( 0.000 -15.889 0.000) 15.889 18.678 ( 0.000 -36.889 0.000) 36.889 19.135 ( 0.000 -1.580 0.000) 1.580 19.235 ( 0.000 -19.933 0.000) 19.933 20.191 ( 0.000 1.347 0.000) 1.347 20.949 ( 0.000 2.135 0.000) 2.135 21.402 ( 0.000 13.774 0.000) 13.774 21.445 ( 0.000 16.117 0.000) 16.117 21.642 ( 0.000 23.970 0.000) 23.970 21.711 ( 0.000 14.398 0.000) 14.398 23.066 ( 0.000 1.905 0.000) 1.905 23.371 ( 0.000 -8.887 0.000) 8.887 23.403 ( 0.000 -7.466 0.000) 7.466 23.795 ( 0.000 -14.446 0.000) 14.446 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 9.665 25.684 0.000) 27.442 1.487 ( 9.144 29.156 0.000) 30.556 2.311 ( 7.143 33.102 0.000) 33.863 2.371 ( -2.524 16.724 0.000) 16.913 2.374 ( -7.348 6.030 0.000) 9.505 2.572 ( 6.732 14.100 0.000) 15.625 2.656 ( -7.902 5.768 0.000) 9.783 2.695 ( 5.710 1.607 0.000) 5.932 2.778 ( 0.170 9.161 0.000) 9.162 2.965 ( -1.454 8.379 0.000) 8.504 2.966 ( -6.600 6.883 0.000) 9.536 3.172 ( -7.863 5.034 0.000) 9.336 3.279 ( 4.223 5.874 0.000) 7.234 3.448 ( -1.835 9.579 0.000) 9.753 3.523 ( 8.594 7.133 0.000) 11.168 3.639 ( 1.352 10.659 0.000) 10.744 3.705 ( -4.237 6.186 0.000) 7.498 3.817 ( 5.600 8.317 0.000) 10.027 3.966 ( -6.203 -2.403 0.000) 6.652 4.007 ( 1.598 4.810 0.000) 5.069 4.520 ( 2.849 9.113 0.000) 9.548 4.673 ( -6.958 9.151 0.000) 11.496 4.917 ( 1.112 6.471 0.000) 6.566 5.039 ( -1.238 1.293 0.000) 1.790 5.436 ( 1.758 26.733 0.000) 26.791 5.534 ( 1.665 29.839 0.000) 29.886 5.591 ( 6.706 17.378 0.000) 18.627 5.663 ( -1.791 23.826 0.000) 23.893 5.774 ( 4.784 9.974 0.000) 11.062 5.896 ( 4.725 0.514 0.000) 4.753 6.097 ( -6.148 11.389 0.000) 12.942 6.218 ( -6.811 9.234 0.000) 11.474 6.851 ( 2.507 4.373 0.000) 5.041 7.005 ( 6.334 4.587 0.000) 7.820 7.052 ( 2.533 2.165 0.000) 3.332 7.142 ( -2.163 -2.982 0.000) 3.683 7.362 ( 3.086 3.999 0.000) 5.051 7.550 ( 4.496 -4.210 0.000) 6.160 7.589 ( 3.239 8.219 0.000) 8.834 7.776 ( 0.450 -0.930 0.000) 1.033 8.197 ( -11.001 -0.232 0.000) 11.003 8.555 ( -8.967 -1.499 0.000) 9.091 9.092 ( 5.883 -2.273 0.000) 6.307 9.146 ( 2.103 -7.015 0.000) 7.323 9.216 ( 6.316 13.652 0.000) 15.043 9.495 ( 5.936 1.807 0.000) 6.205 9.681 ( 2.535 -13.288 0.000) 13.527 9.936 ( 1.273 2.438 0.000) 2.751 10.272 ( -5.460 -5.037 0.000) 7.429 10.364 ( -9.313 -5.977 0.000) 11.066 10.610 ( 0.832 4.063 0.000) 4.147 10.673 ( 3.723 3.269 0.000) 4.954 10.877 ( -3.908 -5.887 0.000) 7.066 10.907 ( -2.883 5.463 0.000) 6.177 11.092 ( 5.646 5.052 0.000) 7.576 11.292 ( 2.951 4.473 0.000) 5.359 11.506 ( -2.330 2.184 0.000) 3.194 11.593 ( -9.844 -0.486 0.000) 9.856 11.644 ( 1.441 -12.649 0.000) 12.731 11.878 ( -9.802 -9.840 0.000) 13.889 11.947 ( 1.479 -25.985 0.000) 26.027 12.010 ( -0.629 -31.007 0.000) 31.014 12.049 ( -3.120 -1.878 0.000) 3.642 12.236 ( 6.262 5.315 0.000) 8.213 12.271 ( 3.333 -6.036 0.000) 6.895 12.454 ( 7.599 0.500 0.000) 7.616 12.546 ( 3.752 -4.701 0.000) 6.015 12.985 ( -10.030 -6.942 0.000) 12.198 13.864 ( 3.505 -6.562 0.000) 7.439 13.935 ( -11.648 -0.512 0.000) 11.659 14.426 ( 5.286 -0.681 0.000) 5.330 14.449 ( -3.356 6.298 0.000) 7.136 15.229 ( 0.295 15.489 0.000) 15.491 15.420 ( -8.267 13.860 0.000) 16.139 15.693 ( 1.162 4.166 0.000) 4.325 15.693 ( 1.833 6.819 0.000) 7.061 15.955 ( 4.505 4.902 0.000) 6.658 16.207 ( 0.845 7.398 0.000) 7.447 16.322 ( -1.337 7.728 0.000) 7.843 16.871 ( -31.295 10.729 0.000) 33.083 18.274 ( 3.394 -30.946 0.000) 31.132 18.327 ( 0.302 -35.493 0.000) 35.494 18.634 ( 0.462 -19.350 0.000) 19.356 18.672 ( -0.624 -35.529 0.000) 35.534 19.127 ( -0.816 -2.301 0.000) 2.441 19.150 ( -4.514 -13.672 0.000) 14.398 20.406 ( 15.568 -2.386 0.000) 15.750 20.957 ( 0.351 -0.174 0.000) 0.391 21.323 ( -5.378 19.137 0.000) 19.878 21.360 ( -7.488 18.700 0.000) 20.143 21.631 ( -0.957 23.421 0.000) 23.441 21.700 ( -2.168 13.926 0.000) 14.094 23.065 ( 2.587 0.106 0.000) 2.589 23.343 ( -2.758 -8.318 0.000) 8.763 23.635 ( 15.460 -15.840 0.000) 22.135 23.836 ( 3.437 -15.060 0.000) 15.447 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 18.027 14.950 0.000) 23.419 1.733 ( 14.725 22.880 0.000) 27.209 2.060 ( -15.862 16.100 0.000) 22.602 2.081 ( -19.408 7.949 0.000) 20.973 2.578 ( 4.224 13.566 0.000) 14.209 2.589 ( 0.351 8.483 0.000) 8.491 2.758 ( 11.518 12.935 0.000) 17.320 2.773 ( -0.450 9.842 0.000) 9.852 2.782 ( -0.727 7.014 0.000) 7.052 2.974 ( 8.636 12.063 0.000) 14.836 2.975 ( -6.965 5.870 0.000) 9.109 3.008 ( -0.443 7.973 0.000) 7.985 3.313 ( 3.972 16.154 0.000) 16.636 3.487 ( 6.164 2.583 0.000) 6.684 3.537 ( -9.618 10.619 0.000) 14.327 3.640 ( -4.849 7.687 0.000) 9.089 3.695 ( 2.653 10.503 0.000) 10.833 3.756 ( -8.828 6.685 0.000) 11.073 3.923 ( 4.959 3.271 0.000) 5.941 4.000 ( -2.410 2.482 0.000) 3.459 4.575 ( 1.779 7.593 0.000) 7.798 4.589 ( -0.937 7.924 0.000) 7.979 4.962 ( 2.473 5.165 0.000) 5.726 5.004 ( -1.980 3.973 0.000) 4.439 5.499 ( 4.271 27.535 0.000) 27.864 5.576 ( -0.986 31.851 0.000) 31.866 5.624 ( 1.384 24.163 0.000) 24.203 5.679 ( 0.223 26.025 0.000) 26.026 5.884 ( 5.846 13.162 0.000) 14.402 5.974 ( 2.713 -6.189 0.000) 6.757 5.974 ( -4.508 5.918 0.000) 7.440 6.066 ( -7.339 4.119 0.000) 8.415 6.948 ( 6.534 4.407 0.000) 7.882 7.064 ( -2.718 1.817 0.000) 3.270 7.070 ( 0.913 3.702 0.000) 3.813 7.087 ( -2.397 1.322 0.000) 2.737 7.511 ( 10.103 2.702 0.000) 10.459 7.624 ( 2.614 -5.015 0.000) 5.655 7.643 ( 1.012 -1.592 0.000) 1.886 7.698 ( -7.882 2.576 0.000) 8.292 8.146 ( 6.187 -2.483 0.000) 6.667 8.342 ( -11.541 -4.160 0.000) 12.268 9.157 ( 1.517 0.014 0.000) 1.517 9.171 ( 0.198 -2.289 0.000) 2.298 9.391 ( 10.440 13.104 0.000) 16.754 9.556 ( -3.419 4.250 0.000) 5.454 9.775 ( 7.467 -4.681 0.000) 8.812 9.912 ( -4.582 0.687 0.000) 4.634 10.175 ( -3.289 -7.494 0.000) 8.184 10.187 ( -5.655 -4.408 0.000) 7.170 10.624 ( 1.691 0.378 0.000) 1.733 10.688 ( -3.398 -1.909 0.000) 3.897 10.853 ( 2.232 7.260 0.000) 7.595 10.881 ( -0.305 13.359 0.000) 13.362 11.223 ( 7.395 -3.498 0.000) 8.181 11.386 ( 5.598 1.189 0.000) 5.722 11.388 ( -9.521 -1.204 0.000) 9.597 11.463 ( -2.241 -2.642 0.000) 3.465 11.612 ( -2.007 -0.341 0.000) 2.036 11.680 ( -8.739 0.414 0.000) 8.749 11.973 ( 1.097 -29.014 0.000) 29.034 11.993 ( -0.957 -31.156 0.000) 31.171 12.111 ( 6.892 -8.195 0.000) 10.708 12.233 ( -4.024 -2.022 0.000) 4.504 12.375 ( 4.156 -8.628 0.000) 9.576 12.444 ( -3.088 -14.215 0.000) 14.546 12.746 ( 9.764 8.370 0.000) 12.860 12.860 ( -3.242 -3.385 0.000) 4.687 13.756 ( -4.185 0.135 0.000) 4.187 13.808 ( -7.125 0.658 0.000) 7.156 14.436 ( 2.198 3.069 0.000) 3.775 14.474 ( -0.373 0.701 0.000) 0.794 15.234 ( 0.620 14.862 0.000) 14.875 15.279 ( -4.585 16.386 0.000) 17.015 15.726 ( 1.495 5.360 0.000) 5.565 15.729 ( 1.177 6.020 0.000) 6.134 16.088 ( 9.160 10.559 0.000) 13.978 16.228 ( 0.476 14.931 0.000) 14.939 16.288 ( -1.761 4.813 0.000) 5.125 16.376 ( -17.113 4.904 0.000) 17.802 18.319 ( 1.321 -34.630 0.000) 34.655 18.331 ( -0.041 -35.416 0.000) 35.416 18.643 ( 0.491 -25.437 0.000) 25.442 18.656 ( -0.817 -31.424 0.000) 31.435 19.103 ( -0.640 -8.273 0.000) 8.298 19.108 ( -0.839 -4.549 0.000) 4.626 20.698 ( 13.461 -3.563 0.000) 13.925 20.913 ( -6.666 -5.868 0.000) 8.881 21.228 ( -3.310 25.055 0.000) 25.273 21.238 ( -2.979 22.760 0.000) 22.954 21.617 ( -0.052 21.301 0.000) 21.301 21.642 ( -2.645 17.452 0.000) 17.651 23.158 ( 5.767 -3.726 0.000) 6.866 23.267 ( -4.801 -6.587 0.000) 8.151 23.855 ( 6.057 -18.723 0.000) 19.679 23.893 ( 1.384 -16.804 0.000) 16.861 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 0.000 28.319 0.000) 28.319 1.967 ( 0.000 26.077 0.000) 26.077 2.570 ( 0.000 9.971 0.000) 9.971 2.658 ( 0.000 3.458 0.000) 3.458 2.673 ( 0.000 8.726 0.000) 8.726 2.793 ( 0.000 17.576 0.000) 17.576 2.921 ( 0.000 7.193 0.000) 7.193 2.930 ( 0.000 9.554 0.000) 9.554 3.016 ( 0.000 35.795 0.000) 35.795 3.059 ( 0.000 -5.642 0.000) 5.642 3.157 ( 0.000 8.037 0.000) 8.037 3.320 ( 0.000 7.165 0.000) 7.165 3.432 ( 0.000 10.926 0.000) 10.926 3.491 ( 0.000 3.710 0.000) 3.710 3.609 ( 0.000 5.391 0.000) 5.391 3.865 ( 0.000 -5.772 0.000) 5.772 3.909 ( 0.000 9.577 0.000) 9.577 3.924 ( 0.000 11.331 0.000) 11.331 3.995 ( 0.000 16.247 0.000) 16.247 4.116 ( 0.000 5.176 0.000) 5.176 4.691 ( 0.000 10.502 0.000) 10.502 4.942 ( 0.000 12.153 0.000) 12.153 5.044 ( 0.000 -0.178 0.000) 0.178 5.067 ( 0.000 6.869 0.000) 6.869 5.667 ( 0.000 -1.283 0.000) 1.283 5.684 ( 0.000 1.572 0.000) 1.572 5.793 ( 0.000 12.441 0.000) 12.441 5.845 ( 0.000 0.238 0.000) 0.238 6.239 ( 0.000 33.316 0.000) 33.316 6.300 ( 0.000 27.351 0.000) 27.351 6.597 ( 0.000 29.076 0.000) 29.076 6.649 ( 0.000 22.940 0.000) 22.940 6.932 ( 0.000 2.796 0.000) 2.796 7.000 ( 0.000 7.525 0.000) 7.525 7.121 ( 0.000 1.506 0.000) 1.506 7.136 ( 0.000 8.670 0.000) 8.670 7.463 ( 0.000 3.004 0.000) 3.004 7.517 ( 0.000 10.114 0.000) 10.114 7.647 ( 0.000 -7.928 0.000) 7.928 7.835 ( 0.000 14.513 0.000) 14.513 8.430 ( 0.000 5.809 0.000) 5.809 8.710 ( 0.000 2.949 0.000) 2.949 8.916 ( 0.000 -7.649 0.000) 7.649 8.948 ( 0.000 2.221 0.000) 2.221 9.401 ( 0.000 11.241 0.000) 11.241 9.422 ( 0.000 -6.231 0.000) 6.231 9.513 ( 0.000 4.147 0.000) 4.147 10.001 ( 0.000 4.608 0.000) 4.608 10.176 ( 0.000 -17.583 0.000) 17.583 10.217 ( 0.000 -6.565 0.000) 6.565 10.574 ( 0.000 -8.398 0.000) 8.398 10.608 ( 0.000 -7.398 0.000) 7.398 10.691 ( 0.000 -9.892 0.000) 9.892 10.744 ( 0.000 -17.113 0.000) 17.113 11.086 ( 0.000 -34.999 0.000) 34.999 11.114 ( 0.000 -19.118 0.000) 19.118 11.317 ( 0.000 -19.859 0.000) 19.859 11.331 ( 0.000 -26.401 0.000) 26.401 11.409 ( 0.000 14.925 0.000) 14.925 11.561 ( 0.000 -0.502 0.000) 0.502 11.875 ( 0.000 19.020 0.000) 19.020 11.921 ( 0.000 -9.160 0.000) 9.160 12.246 ( 0.000 2.759 0.000) 2.759 12.341 ( 0.000 -6.663 0.000) 6.663 12.341 ( 0.000 7.226 0.000) 7.226 12.389 ( 0.000 23.723 0.000) 23.723 12.505 ( 0.000 13.622 0.000) 13.622 13.129 ( 0.000 3.678 0.000) 3.678 13.601 ( 0.000 -10.674 0.000) 10.674 14.105 ( 0.000 -0.880 0.000) 0.880 14.225 ( 0.000 -6.485 0.000) 6.485 14.518 ( 0.000 -2.292 0.000) 2.292 15.453 ( 0.000 6.005 0.000) 6.005 15.520 ( 0.000 -7.339 0.000) 7.339 15.858 ( 0.000 10.104 0.000) 10.104 15.863 ( 0.000 -7.060 0.000) 7.060 15.868 ( 0.000 16.547 0.000) 16.547 16.377 ( 0.000 10.175 0.000) 10.175 16.568 ( 0.000 12.557 0.000) 12.557 17.200 ( 0.000 -7.930 0.000) 7.930 17.691 ( 0.000 -27.906 0.000) 27.906 17.816 ( 0.000 -15.536 0.000) 15.536 17.840 ( 0.000 -45.300 0.000) 45.300 18.033 ( 0.000 -36.632 0.000) 36.632 19.125 ( 0.000 2.930 0.000) 2.930 19.191 ( 0.000 4.843 0.000) 4.843 20.170 ( 0.000 -3.067 0.000) 3.067 20.847 ( 0.000 -9.242 0.000) 9.242 21.613 ( 0.000 7.888 0.000) 7.888 21.778 ( 0.000 14.644 0.000) 14.644 21.943 ( 0.000 8.384 0.000) 8.384 22.056 ( 0.000 17.622 0.000) 17.622 23.102 ( 0.000 1.656 0.000) 1.656 23.181 ( 0.000 -9.996 0.000) 9.996 23.256 ( 0.000 -6.867 0.000) 6.867 23.480 ( 0.000 -16.822 0.000) 16.822 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 1.369 24.976 0.000) 25.014 2.022 ( 5.344 24.592 0.000) 25.166 2.530 ( -8.349 8.773 0.000) 12.111 2.559 ( -7.712 9.509 0.000) 12.243 2.732 ( 3.470 4.145 0.000) 5.405 2.745 ( -6.473 3.696 0.000) 7.454 2.807 ( 1.809 15.988 0.000) 16.090 2.949 ( 0.135 7.823 0.000) 7.824 3.073 ( 0.862 16.587 0.000) 16.609 3.090 ( 2.611 5.656 0.000) 6.229 3.185 ( 6.072 24.629 0.000) 25.366 3.313 ( -8.143 6.687 0.000) 10.536 3.386 ( 6.331 6.110 0.000) 8.799 3.615 ( -0.545 6.817 0.000) 6.838 3.672 ( 9.296 7.726 0.000) 12.087 3.804 ( -2.484 1.050 0.000) 2.697 3.855 ( -1.851 11.627 0.000) 11.773 3.953 ( 0.848 4.760 0.000) 4.835 4.051 ( 2.449 14.355 0.000) 14.562 4.112 ( -0.374 4.452 0.000) 4.468 4.712 ( 1.663 9.550 0.000) 9.694 4.896 ( -5.216 12.761 0.000) 13.786 5.051 ( -0.047 7.488 0.000) 7.488 5.059 ( 1.241 1.085 0.000) 1.648 5.705 ( 1.889 -0.974 0.000) 2.126 5.715 ( 4.366 -0.878 0.000) 4.453 5.814 ( 1.970 10.299 0.000) 10.486 5.839 ( -0.739 -1.910 0.000) 2.048 6.244 ( 0.814 33.798 0.000) 33.808 6.336 ( 3.210 28.106 0.000) 28.289 6.524 ( -6.022 27.766 0.000) 28.411 6.609 ( -4.268 27.455 0.000) 27.785 6.948 ( 3.451 5.598 0.000) 6.576 7.110 ( 6.967 5.912 0.000) 9.137 7.125 ( 0.675 3.194 0.000) 3.264 7.148 ( 0.766 7.109 0.000) 7.150 7.425 ( -0.353 3.055 0.000) 3.076 7.581 ( 3.806 7.434 0.000) 8.352 7.626 ( -1.775 -5.552 0.000) 5.829 7.858 ( 0.593 9.837 0.000) 9.855 8.262 ( -10.786 7.175 0.000) 12.954 8.528 ( -12.533 -0.546 0.000) 12.545 9.035 ( 6.703 -3.372 0.000) 7.503 9.080 ( 7.570 1.743 0.000) 7.768 9.446 ( 3.269 -5.558 0.000) 6.448 9.469 ( 6.315 10.715 0.000) 12.438 9.589 ( 7.484 3.868 0.000) 8.425 9.994 ( -0.973 2.460 0.000) 2.646 10.133 ( -6.911 -6.773 0.000) 9.676 10.153 ( -2.372 -14.839 0.000) 15.028 10.610 ( -1.330 -8.198 0.000) 8.305 10.619 ( 0.413 -9.670 0.000) 9.679 10.758 ( 4.806 -11.153 0.000) 12.145 10.774 ( 8.253 -8.271 0.000) 11.684 11.084 ( 0.302 -29.912 0.000) 29.914 11.116 ( 0.743 -14.408 0.000) 14.427 11.238 ( -5.237 -24.876 0.000) 25.422 11.324 ( -2.293 -18.738 0.000) 18.878 11.459 ( 3.431 5.494 0.000) 6.477 11.531 ( -2.532 -5.310 0.000) 5.883 11.835 ( -8.241 -4.342 0.000) 9.315 11.860 ( -3.894 16.208 0.000) 16.669 12.041 ( -9.567 0.816 0.000) 9.602 12.351 ( 0.454 6.205 0.000) 6.222 12.355 ( 1.534 -2.161 0.000) 2.650 12.414 ( 1.046 16.844 0.000) 16.877 12.711 ( 12.524 10.340 0.000) 16.241 12.983 ( -9.472 4.038 0.000) 10.296 13.703 ( 6.181 -9.298 0.000) 11.165 13.909 ( -11.469 -1.747 0.000) 11.601 14.367 ( 6.723 -4.535 0.000) 8.110 14.499 ( -1.766 -0.891 0.000) 1.978 15.449 ( -0.400 5.950 0.000) 5.964 15.491 ( -2.363 -4.714 0.000) 5.274 15.874 ( 1.987 9.926 0.000) 10.123 15.884 ( 2.122 10.422 0.000) 10.635 15.936 ( 5.754 0.280 0.000) 5.760 16.375 ( -0.472 9.283 0.000) 9.295 16.559 ( -0.862 12.818 0.000) 12.847 17.009 ( -18.050 3.449 0.000) 18.377 17.682 ( -0.714 -30.589 0.000) 30.598 17.722 ( -5.193 -26.507 0.000) 27.011 17.864 ( 2.277 -41.747 0.000) 41.809 18.033 ( -1.004 -32.648 0.000) 32.664 19.111 ( -0.604 4.102 0.000) 4.147 19.178 ( -1.181 4.869 0.000) 5.010 20.318 ( 12.228 -5.985 0.000) 13.614 20.829 ( -2.129 -9.820 0.000) 10.049 21.601 ( -0.982 9.818 0.000) 9.867 21.720 ( -5.000 15.116 0.000) 15.922 21.938 ( -0.354 9.195 0.000) 9.201 22.035 ( -2.054 16.979 0.000) 17.103 23.077 ( -0.414 0.808 0.000) 0.908 23.167 ( -1.234 -9.065 0.000) 9.149 23.377 ( 8.574 -10.737 0.000) 13.740 23.515 ( 2.816 -16.778 0.000) 17.013 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 8.719 16.534 0.000) 18.692 2.170 ( 9.102 20.713 0.000) 22.624 2.244 ( -15.463 8.317 0.000) 17.557 2.372 ( -10.430 15.043 0.000) 18.305 2.749 ( 2.776 8.466 0.000) 8.910 2.780 ( 0.428 7.226 0.000) 7.239 2.870 ( 4.287 7.980 0.000) 9.059 2.937 ( -1.746 6.255 0.000) 6.494 3.068 ( 0.823 12.666 0.000) 12.692 3.140 ( -4.362 9.369 0.000) 10.334 3.178 ( 2.442 9.268 0.000) 9.584 3.261 ( -1.706 14.513 0.000) 14.613 3.530 ( 5.474 1.730 0.000) 5.741 3.647 ( -6.201 2.540 0.000) 6.701 3.672 ( 10.330 19.377 0.000) 21.959 3.866 ( -2.090 13.353 0.000) 13.516 3.885 ( 3.024 9.023 0.000) 9.516 3.908 ( -1.554 7.558 0.000) 7.716 4.077 ( 0.510 11.722 0.000) 11.733 4.093 ( -1.426 6.009 0.000) 6.176 4.740 ( 1.188 8.377 0.000) 8.461 4.785 ( -4.183 11.175 0.000) 11.932 5.070 ( 1.215 6.268 0.000) 6.384 5.079 ( 0.428 3.885 0.000) 3.909 5.753 ( 2.848 -3.803 0.000) 4.751 5.806 ( 0.375 -7.585 0.000) 7.594 5.812 ( 1.373 3.374 0.000) 3.642 5.848 ( 0.466 4.260 0.000) 4.286 6.284 ( 3.617 33.616 0.000) 33.810 6.391 ( -6.723 30.589 0.000) 31.319 6.411 ( 4.151 30.546 0.000) 30.826 6.504 ( -5.378 31.325 0.000) 31.784 7.050 ( 5.864 6.281 0.000) 8.593 7.139 ( -2.361 5.767 0.000) 6.231 7.152 ( 1.875 6.036 0.000) 6.321 7.180 ( -0.059 7.461 0.000) 7.461 7.488 ( 5.340 -3.032 0.000) 6.141 7.577 ( -3.384 -4.715 0.000) 5.804 7.664 ( 5.275 7.552 0.000) 9.212 7.793 ( -6.638 7.218 0.000) 9.807 8.167 ( 2.034 4.888 0.000) 5.295 8.296 ( -9.917 0.237 0.000) 9.920 9.131 ( 2.979 -0.934 0.000) 3.122 9.156 ( 0.653 0.758 0.000) 1.000 9.547 ( 5.618 -3.300 0.000) 6.515 9.591 ( 3.158 5.899 0.000) 6.691 9.786 ( 10.824 4.373 0.000) 11.674 9.951 ( -4.262 3.854 0.000) 5.746 10.014 ( -2.465 -8.606 0.000) 8.952 10.076 ( -5.263 -7.744 0.000) 9.363 10.549 ( -3.294 -9.321 0.000) 9.886 10.549 ( -3.760 -10.248 0.000) 10.916 10.954 ( 10.898 -7.957 0.000) 13.494 10.986 ( 10.969 -5.935 0.000) 12.472 11.097 ( 0.704 -33.146 0.000) 33.153 11.139 ( 0.820 -0.243 0.000) 0.856 11.159 ( -2.255 -21.837 0.000) 21.953 11.227 ( -7.874 -10.776 0.000) 13.346 11.491 ( -0.335 -13.428 0.000) 13.433 11.505 ( 1.085 -7.613 0.000) 7.690 11.653 ( -10.069 1.316 0.000) 10.155 11.654 ( -7.697 -1.146 0.000) 7.782 12.075 ( 8.531 5.295 0.000) 10.041 12.270 ( -9.056 4.395 0.000) 10.066 12.392 ( 1.890 4.273 0.000) 4.672 12.417 ( -0.508 9.683 0.000) 9.696 12.890 ( 4.182 6.362 0.000) 7.614 12.897 ( 0.628 4.953 0.000) 4.992 13.750 ( -3.163 -0.974 0.000) 3.309 13.756 ( -0.912 -5.184 0.000) 5.264 14.448 ( 1.746 -2.666 0.000) 3.187 14.467 ( -1.018 -0.107 0.000) 1.024 15.442 ( -0.126 4.431 0.000) 4.433 15.451 ( -1.270 0.436 0.000) 1.343 15.916 ( 1.504 12.464 0.000) 12.555 15.920 ( 1.058 11.547 0.000) 11.596 16.108 ( 11.501 0.008 0.000) 11.501 16.324 ( -6.760 4.567 0.000) 8.158 16.545 ( 0.200 13.882 0.000) 13.883 16.645 ( -13.186 13.488 0.000) 18.862 17.668 ( -0.849 -33.297 0.000) 33.308 17.668 ( -0.572 -33.609 0.000) 33.614 17.923 ( 3.401 -36.292 0.000) 36.451 17.990 ( -3.063 -32.798 0.000) 32.941 19.117 ( 1.141 4.807 0.000) 4.940 19.148 ( -1.736 4.908 0.000) 5.206 20.565 ( 11.405 -8.884 0.000) 14.457 20.746 ( -6.575 -10.267 0.000) 12.192 21.589 ( 0.167 12.979 0.000) 12.980 21.624 ( -3.658 15.157 0.000) 15.593 21.943 ( 1.128 11.998 0.000) 12.050 21.984 ( -2.707 15.016 0.000) 15.258 23.096 ( 1.902 -2.456 0.000) 3.106 23.136 ( -1.847 -6.288 0.000) 6.554 23.518 ( 4.772 -15.185 0.000) 15.917 23.557 ( 0.608 -16.623 0.000) 16.634 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 0.000 22.846 0.000) 22.846 2.413 ( 0.000 18.958 0.000) 18.958 2.769 ( 0.000 7.755 0.000) 7.755 2.795 ( 0.000 12.043 0.000) 12.043 2.825 ( 0.000 6.713 0.000) 6.713 2.914 ( 0.000 -7.905 0.000) 7.905 3.026 ( 0.000 2.036 0.000) 2.036 3.104 ( 0.000 13.406 0.000) 13.406 3.120 ( 0.000 9.186 0.000) 9.186 3.239 ( 0.000 6.175 0.000) 6.175 3.467 ( 0.000 7.123 0.000) 7.123 3.474 ( 0.000 -3.463 0.000) 3.463 3.593 ( 0.000 5.286 0.000) 5.286 3.699 ( 0.000 4.266 0.000) 4.266 3.742 ( 0.000 31.295 0.000) 31.295 3.816 ( 0.000 -0.306 0.000) 0.306 4.122 ( 0.000 8.589 0.000) 8.589 4.133 ( 0.000 12.555 0.000) 12.555 4.199 ( 0.000 4.215 0.000) 4.215 4.311 ( 0.000 15.329 0.000) 15.329 4.880 ( 0.000 8.339 0.000) 8.339 5.053 ( 0.000 1.251 0.000) 1.251 5.191 ( 0.000 11.418 0.000) 11.418 5.196 ( 0.000 6.092 0.000) 6.092 5.660 ( 0.000 0.850 0.000) 0.850 5.682 ( 0.000 0.891 0.000) 0.891 5.780 ( 0.000 -5.495 0.000) 5.495 5.983 ( 0.000 7.815 0.000) 7.815 6.707 ( 0.000 13.843 0.000) 13.843 6.778 ( 0.000 18.028 0.000) 18.028 6.984 ( 0.000 4.421 0.000) 4.421 7.061 ( 0.000 15.664 0.000) 15.664 7.136 ( 0.000 16.949 0.000) 16.949 7.189 ( 0.000 17.392 0.000) 17.392 7.288 ( 0.000 16.228 0.000) 16.228 7.334 ( 0.000 4.712 0.000) 4.712 7.498 ( 0.000 -0.080 0.000) 0.080 7.625 ( 0.000 12.876 0.000) 12.876 7.750 ( 0.000 13.083 0.000) 13.083 8.098 ( 0.000 12.081 0.000) 12.081 8.611 ( 0.000 12.280 0.000) 12.280 8.786 ( 0.000 5.359 0.000) 5.359 8.842 ( 0.000 0.570 0.000) 0.570 9.074 ( 0.000 10.053 0.000) 10.053 9.415 ( 0.000 4.174 0.000) 4.174 9.551 ( 0.000 2.213 0.000) 2.213 9.614 ( 0.000 6.083 0.000) 6.083 9.815 ( 0.000 -17.516 0.000) 17.516 9.959 ( 0.000 -9.187 0.000) 9.187 10.138 ( 0.000 -39.251 0.000) 39.251 10.244 ( 0.000 7.612 0.000) 7.612 10.317 ( 0.000 -37.298 0.000) 37.298 10.326 ( 0.000 -13.902 0.000) 13.902 10.345 ( 0.000 -16.059 0.000) 16.059 10.406 ( 0.000 -13.789 0.000) 13.789 11.051 ( 0.000 -6.536 0.000) 6.536 11.070 ( 0.000 -6.399 0.000) 6.399 11.075 ( 0.000 8.439 0.000) 8.439 11.538 ( 0.000 -1.532 0.000) 1.532 11.632 ( 0.000 6.057 0.000) 6.057 11.731 ( 0.000 -9.713 0.000) 9.713 12.225 ( 0.000 14.359 0.000) 14.359 12.237 ( 0.000 -2.967 0.000) 2.967 12.319 ( 0.000 4.163 0.000) 4.163 12.445 ( 0.000 1.814 0.000) 1.814 12.791 ( 0.000 15.018 0.000) 15.018 12.835 ( 0.000 20.454 0.000) 20.454 13.243 ( 0.000 7.445 0.000) 7.445 13.384 ( 0.000 -9.896 0.000) 9.896 14.072 ( 0.000 -8.973 0.000) 8.973 14.095 ( 0.000 0.199 0.000) 0.199 14.425 ( 0.000 -6.660 0.000) 6.660 15.299 ( 0.000 -14.161 0.000) 14.161 15.557 ( 0.000 5.887 0.000) 5.887 15.641 ( 0.000 -15.808 0.000) 15.808 15.986 ( 0.000 -1.255 0.000) 1.255 16.230 ( 0.000 17.385 0.000) 17.385 16.534 ( 0.000 5.391 0.000) 5.391 16.750 ( 0.000 4.042 0.000) 4.042 16.912 ( 0.000 -21.381 0.000) 21.381 16.949 ( 0.000 -42.898 0.000) 42.898 17.274 ( 0.000 -12.649 0.000) 12.649 17.479 ( 0.000 -14.259 0.000) 14.259 17.612 ( 0.000 -5.511 0.000) 5.511 19.225 ( 0.000 6.212 0.000) 6.212 19.305 ( 0.000 6.702 0.000) 6.702 20.081 ( 0.000 -5.727 0.000) 5.727 20.632 ( 0.000 -12.152 0.000) 12.152 21.727 ( 0.000 3.982 0.000) 3.982 21.991 ( 0.000 7.129 0.000) 7.129 22.034 ( 0.000 1.066 0.000) 1.066 22.323 ( 0.000 9.082 0.000) 9.082 22.997 ( 0.000 -8.160 0.000) 8.160 23.125 ( 0.000 0.519 0.000) 0.519 23.146 ( 0.000 -4.146 0.000) 4.146 23.160 ( 0.000 -14.798 0.000) 14.798 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -3.522 21.377 0.000) 21.665 2.441 ( 2.545 17.263 0.000) 17.450 2.647 ( -13.475 2.493 0.000) 13.703 2.737 ( -3.407 9.023 0.000) 9.645 2.833 ( 1.326 5.638 0.000) 5.792 2.860 ( 2.672 8.988 0.000) 9.377 3.073 ( -1.592 3.474 0.000) 3.822 3.101 ( -0.520 13.309 0.000) 13.319 3.200 ( 6.723 5.045 0.000) 8.405 3.248 ( 0.847 6.583 0.000) 6.637 3.401 ( -4.164 3.582 0.000) 5.493 3.492 ( 2.500 6.040 0.000) 6.537 3.630 ( -5.040 9.205 0.000) 10.494 3.754 ( 3.724 -3.757 0.000) 5.290 3.807 ( 7.135 4.797 0.000) 8.598 3.854 ( 7.710 20.833 0.000) 22.214 4.085 ( -1.303 11.573 0.000) 11.646 4.131 ( -0.844 9.897 0.000) 9.933 4.195 ( -0.203 5.802 0.000) 5.805 4.343 ( 1.380 14.650 0.000) 14.714 4.868 ( -0.767 5.730 0.000) 5.781 5.093 ( 3.597 2.816 0.000) 4.568 5.134 ( -4.771 10.211 0.000) 11.271 5.214 ( 0.793 8.672 0.000) 8.708 5.669 ( -1.060 -0.169 0.000) 1.073 5.679 ( 0.955 -1.954 0.000) 2.175 5.794 ( 1.961 -2.090 0.000) 2.866 5.962 ( -1.729 5.893 0.000) 6.142 6.739 ( 2.204 14.599 0.000) 14.764 6.802 ( 3.679 17.429 0.000) 17.813 6.970 ( -4.506 14.586 0.000) 15.266 7.036 ( 2.164 9.574 0.000) 9.815 7.198 ( 4.171 20.550 0.000) 20.969 7.244 ( 4.433 11.365 0.000) 12.199 7.295 ( 0.920 14.347 0.000) 14.376 7.355 ( 1.226 10.157 0.000) 10.231 7.495 ( -0.335 -2.247 0.000) 2.272 7.563 ( -4.856 11.230 0.000) 12.234 7.785 ( 2.877 12.300 0.000) 12.632 8.073 ( -2.787 11.417 0.000) 11.752 8.481 ( -9.111 14.674 0.000) 17.272 8.575 ( -11.331 6.376 0.000) 13.001 9.018 ( 8.243 1.558 0.000) 8.389 9.165 ( 5.039 6.592 0.000) 8.297 9.410 ( 1.033 0.912 0.000) 1.377 9.595 ( 3.781 0.527 0.000) 3.818 9.714 ( 8.345 8.513 0.000) 11.921 9.820 ( 1.392 -17.368 0.000) 17.423 9.911 ( -4.953 -10.117 0.000) 11.264 10.121 ( -6.092 2.458 0.000) 6.569 10.151 ( 1.214 -38.014 0.000) 38.033 10.275 ( -2.826 -31.157 0.000) 31.285 10.374 ( 1.303 -20.865 0.000) 20.906 10.414 ( 6.445 -14.261 0.000) 15.649 10.599 ( 14.041 -7.413 0.000) 15.878 10.999 ( -1.827 -3.765 0.000) 4.185 11.102 ( 1.754 -4.498 0.000) 4.828 11.115 ( 3.572 7.156 0.000) 7.998 11.469 ( -6.295 -2.521 0.000) 6.781 11.612 ( -3.578 5.811 0.000) 6.824 11.684 ( -4.562 -9.244 0.000) 10.309 12.063 ( -16.994 2.597 0.000) 17.192 12.110 ( -3.911 5.394 0.000) 6.662 12.404 ( 6.786 7.391 0.000) 10.034 12.432 ( -2.014 0.882 0.000) 2.199 12.776 ( -6.080 16.878 0.000) 17.939 12.915 ( 8.024 10.550 0.000) 13.255 13.094 ( -6.827 6.838 0.000) 9.663 13.534 ( 7.903 -6.366 0.000) 10.148 13.868 ( -9.894 -2.706 0.000) 10.257 14.273 ( 7.766 -4.330 0.000) 8.892 14.434 ( 0.585 -5.180 0.000) 5.213 15.304 ( 0.743 -13.225 0.000) 13.246 15.482 ( -4.334 -4.787 0.000) 6.458 15.783 ( 10.627 -4.668 0.000) 11.607 16.013 ( 2.398 -1.168 0.000) 2.667 16.245 ( 1.575 16.540 0.000) 16.615 16.532 ( -0.450 5.965 0.000) 5.982 16.741 ( -0.795 3.953 0.000) 4.033 16.902 ( -1.119 -19.313 0.000) 19.346 16.936 ( -0.944 -40.825 0.000) 40.836 17.263 ( -17.487 -9.838 0.000) 20.064 17.323 ( 4.545 -13.250 0.000) 14.007 17.616 ( -1.620 -9.889 0.000) 10.020 19.222 ( 0.039 6.537 0.000) 6.537 19.294 ( -1.113 6.721 0.000) 6.812 20.181 ( 8.718 -7.778 0.000) 11.683 20.607 ( -2.578 -12.275 0.000) 12.543 21.736 ( 0.978 4.526 0.000) 4.630 21.938 ( -4.706 7.265 0.000) 8.656 22.046 ( 1.435 1.901 0.000) 2.382 22.284 ( -3.751 7.904 0.000) 8.749 23.004 ( 0.933 -6.959 0.000) 7.021 23.087 ( -1.642 0.041 0.000) 1.643 23.203 ( 3.432 -14.141 0.000) 14.552 23.209 ( 3.705 -6.213 0.000) 7.234 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 0.256 15.906 0.000) 15.908 2.398 ( -7.719 7.423 0.000) 10.709 2.538 ( 4.334 16.426 0.000) 16.988 2.643 ( -5.545 12.525 0.000) 13.697 2.881 ( 3.105 4.154 0.000) 5.186 2.918 ( 1.133 7.598 0.000) 7.682 3.036 ( -0.417 4.566 0.000) 4.585 3.073 ( -2.380 10.754 0.000) 11.014 3.272 ( 1.499 7.868 0.000) 8.009 3.296 ( 0.598 6.117 0.000) 6.146 3.368 ( 3.617 9.351 0.000) 10.026 3.498 ( -7.579 8.112 0.000) 11.102 3.566 ( 4.873 3.905 0.000) 6.244 3.675 ( -5.690 0.622 0.000) 5.724 3.992 ( 5.564 11.406 0.000) 12.690 4.062 ( 5.495 8.464 0.000) 10.091 4.099 ( 2.622 6.657 0.000) 7.154 4.111 ( 2.991 14.309 0.000) 14.619 4.191 ( 0.472 6.130 0.000) 6.148 4.309 ( -5.648 9.798 0.000) 11.309 4.887 ( 3.656 6.872 0.000) 7.784 5.007 ( -7.338 11.084 0.000) 13.294 5.171 ( 3.602 5.757 0.000) 6.791 5.218 ( -0.898 8.275 0.000) 8.323 5.656 ( 0.112 -3.102 0.000) 3.104 5.673 ( -1.190 -4.637 0.000) 4.787 5.860 ( 3.829 1.646 0.000) 4.168 5.923 ( -2.389 3.025 0.000) 3.854 6.782 ( 2.894 15.535 0.000) 15.802 6.864 ( -5.169 15.992 0.000) 16.807 6.933 ( 8.211 18.916 0.000) 20.621 7.060 ( -2.601 17.516 0.000) 17.708 7.256 ( 2.937 19.556 0.000) 19.776 7.307 ( -0.867 13.882 0.000) 13.909 7.344 ( 3.922 6.958 0.000) 7.987 7.367 ( 0.309 14.032 0.000) 14.036 7.479 ( -2.498 4.019 0.000) 4.732 7.479 ( -1.259 -3.654 0.000) 3.865 7.864 ( 5.292 12.363 0.000) 13.448 7.983 ( -5.948 11.685 0.000) 13.112 8.355 ( -2.485 14.314 0.000) 14.528 8.394 ( -6.148 10.511 0.000) 12.178 9.143 ( 4.488 2.186 0.000) 4.992 9.200 ( -1.090 3.619 0.000) 3.780 9.493 ( 6.959 -2.404 0.000) 7.363 9.626 ( -3.499 -1.765 0.000) 3.919 9.788 ( 0.321 -11.442 0.000) 11.446 9.803 ( -3.014 -13.691 0.000) 14.019 9.963 ( 9.475 3.558 0.000) 10.121 10.064 ( -1.131 6.636 0.000) 6.731 10.179 ( 1.419 -33.098 0.000) 33.128 10.216 ( -2.813 -29.616 0.000) 29.749 10.392 ( 1.202 -22.100 0.000) 22.132 10.450 ( -3.273 -17.094 0.000) 17.405 10.897 ( 14.571 -5.213 0.000) 15.475 11.052 ( 3.213 -2.174 0.000) 3.880 11.154 ( 4.237 2.377 0.000) 4.858 11.186 ( 2.268 4.836 0.000) 5.342 11.336 ( -3.590 -4.463 0.000) 5.727 11.464 ( -10.037 0.967 0.000) 10.083 11.586 ( -3.160 -5.393 0.000) 6.250 11.696 ( -15.672 1.914 0.000) 15.788 12.168 ( 7.531 2.339 0.000) 7.886 12.336 ( -7.720 0.694 0.000) 7.751 12.522 ( 5.277 7.535 0.000) 9.199 12.634 ( -6.612 10.601 0.000) 12.494 13.023 ( 2.412 7.732 0.000) 8.100 13.035 ( -0.233 8.937 0.000) 8.940 13.646 ( 3.711 -4.669 0.000) 5.964 13.719 ( -4.899 -1.913 0.000) 5.259 14.387 ( 3.850 -3.169 0.000) 4.987 14.433 ( -0.974 -3.028 0.000) 3.181 15.337 ( 2.569 -11.171 0.000) 11.463 15.401 ( -3.766 -8.641 0.000) 9.426 15.997 ( 8.349 -1.583 0.000) 8.498 16.056 ( 1.011 -0.798 0.000) 1.288 16.315 ( 6.848 14.959 0.000) 16.452 16.484 ( -6.039 9.540 0.000) 11.290 16.734 ( 0.886 4.425 0.000) 4.513 16.828 ( -8.033 3.212 0.000) 8.652 16.925 ( 0.128 -37.559 0.000) 37.559 16.966 ( -6.651 -31.333 0.000) 32.031 17.433 ( 6.033 -13.086 0.000) 14.410 17.546 ( -4.987 -11.902 0.000) 12.904 19.235 ( 1.217 6.758 0.000) 6.867 19.265 ( -1.656 6.762 0.000) 6.962 20.370 ( 9.225 -10.636 0.000) 14.079 20.523 ( -6.014 -12.086 0.000) 13.499 21.768 ( 2.413 5.887 0.000) 6.362 21.838 ( -4.615 7.070 0.000) 8.442 22.098 ( 3.775 3.708 0.000) 5.292 22.190 ( -5.164 5.727 0.000) 7.712 23.032 ( 1.574 -4.103 0.000) 4.395 23.060 ( -1.279 -1.369 0.000) 1.874 23.262 ( 1.904 -12.774 0.000) 12.915 23.266 ( 1.544 -10.202 0.000) 10.319 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 0.000 0.028 0.000) 0.028 2.757 ( 0.000 11.925 0.000) 11.925 2.841 ( 0.000 6.028 0.000) 6.028 2.933 ( 0.000 4.143 0.000) 4.143 2.934 ( 0.000 -8.117 0.000) 8.117 2.977 ( 0.000 13.540 0.000) 13.540 3.025 ( 0.000 7.987 0.000) 7.987 3.272 ( 0.000 4.626 0.000) 4.626 3.284 ( 0.000 7.362 0.000) 7.362 3.408 ( 0.000 9.612 0.000) 9.612 3.467 ( 0.000 3.189 0.000) 3.189 3.566 ( 0.000 2.314 0.000) 2.314 3.659 ( 0.000 1.777 0.000) 1.777 3.785 ( 0.000 -3.524 0.000) 3.524 3.804 ( 0.000 6.693 0.000) 6.693 4.174 ( 0.000 6.365 0.000) 6.365 4.311 ( 0.000 7.302 0.000) 7.302 4.327 ( 0.000 17.698 0.000) 17.698 4.371 ( 0.000 10.837 0.000) 10.837 4.589 ( 0.000 12.599 0.000) 12.599 5.019 ( 0.000 5.873 0.000) 5.873 5.097 ( 0.000 3.063 0.000) 3.063 5.302 ( 0.000 4.583 0.000) 4.583 5.335 ( 0.000 3.409 0.000) 3.409 5.681 ( 0.000 -3.367 0.000) 3.367 5.700 ( 0.000 2.783 0.000) 2.783 5.784 ( 0.000 9.072 0.000) 9.072 6.108 ( 0.000 4.692 0.000) 4.692 6.899 ( 0.000 7.353 0.000) 7.353 6.983 ( 0.000 5.471 0.000) 5.471 7.082 ( 0.000 6.529 0.000) 6.529 7.212 ( 0.000 -7.741 0.000) 7.741 7.331 ( 0.000 12.215 0.000) 12.215 7.353 ( 0.000 10.193 0.000) 10.193 7.536 ( 0.000 12.459 0.000) 12.459 7.641 ( 0.000 15.329 0.000) 15.329 7.751 ( 0.000 16.474 0.000) 16.474 7.891 ( 0.000 12.127 0.000) 12.127 8.008 ( 0.000 12.129 0.000) 12.129 8.322 ( 0.000 10.856 0.000) 10.856 8.879 ( 0.000 12.718 0.000) 12.718 8.921 ( 0.000 5.824 0.000) 5.824 8.921 ( 0.000 6.673 0.000) 6.673 9.268 ( 0.000 1.187 0.000) 1.187 9.298 ( 0.000 -37.285 0.000) 37.285 9.417 ( 0.000 -0.716 0.000) 0.716 9.441 ( 0.000 -12.456 0.000) 12.456 9.477 ( 0.000 -32.385 0.000) 32.385 9.667 ( 0.000 4.586 0.000) 4.586 9.816 ( 0.000 8.789 0.000) 8.789 9.919 ( 0.000 -5.249 0.000) 5.249 10.113 ( 0.000 -6.289 0.000) 6.289 10.134 ( 0.000 -3.209 0.000) 3.209 10.249 ( 0.000 -2.264 0.000) 2.264 10.454 ( 0.000 11.348 0.000) 11.348 10.918 ( 0.000 -8.726 0.000) 8.726 11.002 ( 0.000 -1.407 0.000) 1.407 11.232 ( 0.000 4.930 0.000) 4.930 11.520 ( 0.000 0.329 0.000) 0.329 11.562 ( 0.000 -7.016 0.000) 7.016 11.602 ( 0.000 -8.958 0.000) 8.958 12.251 ( 0.000 5.328 0.000) 5.328 12.340 ( 0.000 -13.343 0.000) 13.343 12.422 ( 0.000 6.410 0.000) 6.410 12.460 ( 0.000 9.237 0.000) 9.237 13.076 ( 0.000 13.663 0.000) 13.663 13.175 ( 0.000 13.971 0.000) 13.971 13.288 ( 0.000 1.323 0.000) 1.323 13.416 ( 0.000 10.045 0.000) 10.045 13.876 ( 0.000 -10.288 0.000) 10.288 14.125 ( 0.000 3.050 0.000) 3.050 14.269 ( 0.000 -8.921 0.000) 8.921 14.989 ( 0.000 -16.604 0.000) 16.604 15.245 ( 0.000 -23.524 0.000) 23.524 15.595 ( 0.000 -11.141 0.000) 11.141 15.626 ( 0.000 -32.624 0.000) 32.624 16.147 ( 0.000 -16.478 0.000) 16.478 16.606 ( 0.000 2.566 0.000) 2.566 16.664 ( 0.000 14.026 0.000) 14.026 16.665 ( 0.000 -1.904 0.000) 1.904 16.708 ( 0.000 -6.068 0.000) 6.068 17.192 ( 0.000 1.021 0.000) 1.021 17.378 ( 0.000 0.393 0.000) 0.393 17.564 ( 0.000 -0.480 0.000) 0.480 19.355 ( 0.000 6.876 0.000) 6.876 19.455 ( 0.000 8.461 0.000) 8.461 19.951 ( 0.000 -7.340 0.000) 7.340 20.379 ( 0.000 -13.301 0.000) 13.301 21.784 ( 0.000 2.201 0.000) 2.201 22.008 ( 0.000 -2.993 0.000) 2.993 22.076 ( 0.000 2.207 0.000) 2.207 22.397 ( 0.000 -1.692 0.000) 1.692 22.872 ( 0.000 -4.336 0.000) 4.336 22.934 ( 0.000 -7.474 0.000) 7.474 23.090 ( 0.000 -1.736 0.000) 1.736 23.122 ( 0.000 -0.717 0.000) 0.717 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -4.562 -0.541 0.000) 4.594 2.714 ( -4.372 13.456 0.000) 14.148 2.800 ( -0.355 12.216 0.000) 12.222 2.924 ( -1.432 6.715 0.000) 6.866 2.946 ( -1.595 9.126 0.000) 9.264 3.012 ( 1.743 -3.707 0.000) 4.097 3.059 ( 3.477 4.528 0.000) 5.709 3.293 ( 1.380 5.687 0.000) 5.852 3.299 ( 3.097 5.116 0.000) 5.980 3.381 ( -2.246 7.329 0.000) 7.666 3.499 ( 1.427 5.930 0.000) 6.099 3.562 ( -0.499 1.161 0.000) 1.264 3.686 ( 1.212 -3.145 0.000) 3.371 3.783 ( -2.057 7.965 0.000) 8.226 3.839 ( 7.446 -1.237 0.000) 7.548 4.152 ( -1.231 6.261 0.000) 6.381 4.286 ( -2.052 8.068 0.000) 8.325 4.340 ( 1.016 14.248 0.000) 14.285 4.380 ( 0.438 9.984 0.000) 9.993 4.601 ( -2.103 10.319 0.000) 10.531 4.961 ( -0.646 5.792 0.000) 5.828 5.180 ( 5.792 5.476 0.000) 7.971 5.285 ( -1.861 5.355 0.000) 5.669 5.347 ( 0.954 4.479 0.000) 4.579 5.661 ( -1.074 0.335 0.000) 1.125 5.752 ( -3.174 8.151 0.000) 8.747 5.771 ( 5.365 -0.260 0.000) 5.371 6.061 ( -4.170 3.935 0.000) 5.733 6.936 ( 2.666 7.415 0.000) 7.879 6.998 ( 3.245 5.229 0.000) 6.154 7.117 ( 2.193 5.585 0.000) 6.000 7.264 ( -4.351 10.927 0.000) 11.761 7.273 ( 4.991 -6.245 0.000) 7.995 7.393 ( 3.106 9.487 0.000) 9.983 7.584 ( 3.285 11.263 0.000) 11.732 7.652 ( 0.935 15.249 0.000) 15.277 7.737 ( -1.400 16.643 0.000) 16.702 7.824 ( -6.005 14.051 0.000) 15.281 8.039 ( 3.062 12.480 0.000) 12.850 8.301 ( -2.240 11.467 0.000) 11.684 8.777 ( -6.283 12.374 0.000) 13.878 8.803 ( -6.076 16.178 0.000) 17.281 9.075 ( 7.288 2.327 0.000) 7.650 9.254 ( -1.989 -30.021 0.000) 30.087 9.280 ( 0.622 -1.403 0.000) 1.535 9.397 ( -2.746 -25.368 0.000) 25.516 9.463 ( 1.775 -7.919 0.000) 8.116 9.510 ( 1.113 -21.435 0.000) 21.464 9.649 ( 0.233 -1.231 0.000) 1.253 9.850 ( -5.474 -4.522 0.000) 7.100 9.929 ( 9.456 12.161 0.000) 15.404 10.109 ( 0.398 -3.112 0.000) 3.137 10.218 ( 5.866 -4.774 0.000) 7.563 10.260 ( 0.467 1.745 0.000) 1.807 10.566 ( 10.197 4.100 0.000) 10.991 10.919 ( 2.121 -6.052 0.000) 6.413 11.069 ( 5.772 -0.387 0.000) 5.785 11.237 ( 0.609 2.908 0.000) 2.971 11.428 ( -8.046 -1.899 0.000) 8.267 11.526 ( -3.364 -5.064 0.000) 6.080 11.603 ( -1.434 -7.740 0.000) 7.872 12.133 ( -15.082 6.869 0.000) 16.573 12.216 ( -8.128 6.202 0.000) 10.224 12.322 ( -2.079 -12.738 0.000) 12.907 12.557 ( 4.491 6.681 0.000) 8.051 13.041 ( -10.551 10.857 0.000) 15.139 13.133 ( 4.070 11.140 0.000) 11.860 13.255 ( -2.011 9.112 0.000) 9.331 13.511 ( 6.124 4.309 0.000) 7.488 13.789 ( -5.778 -4.864 0.000) 7.553 14.225 ( 6.914 -0.049 0.000) 6.914 14.310 ( 3.326 -7.109 0.000) 7.848 14.998 ( 1.061 -17.112 0.000) 17.145 15.196 ( -4.010 -21.498 0.000) 21.869 15.653 ( 2.582 -32.614 0.000) 32.716 15.675 ( 5.896 -18.369 0.000) 19.292 16.176 ( 3.693 -11.249 0.000) 11.840 16.598 ( -1.155 1.403 0.000) 1.818 16.657 ( -0.738 -1.499 0.000) 1.671 16.661 ( -0.244 6.333 0.000) 6.338 16.733 ( 2.451 2.304 0.000) 3.364 17.230 ( 3.677 0.409 0.000) 3.700 17.250 ( -11.714 3.873 0.000) 12.338 17.533 ( -3.164 -0.903 0.000) 3.291 19.358 ( 0.479 7.223 0.000) 7.239 19.443 ( -1.164 8.386 0.000) 8.466 20.016 ( 5.936 -8.788 0.000) 10.605 20.354 ( -2.539 -13.237 0.000) 13.478 21.799 ( 1.519 2.300 0.000) 2.756 22.027 ( -4.439 2.468 0.000) 5.079 22.031 ( 2.376 -2.775 0.000) 3.653 22.338 ( -5.302 -2.133 0.000) 5.715 22.904 ( 2.978 -3.264 0.000) 4.418 22.985 ( 4.206 -7.584 0.000) 8.672 23.075 ( -1.381 -1.074 0.000) 1.750 23.127 ( 0.145 -2.557 0.000) 2.561 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 0.627 6.897 0.000) 6.926 2.605 ( -5.456 12.976 0.000) 14.077 2.821 ( 2.050 12.414 0.000) 12.582 2.872 ( -2.889 10.797 0.000) 11.177 2.952 ( 1.525 2.905 0.000) 3.281 2.994 ( -2.297 0.129 0.000) 2.300 3.148 ( 5.409 6.044 0.000) 8.111 3.258 ( -4.996 7.647 0.000) 9.135 3.378 ( 1.909 3.066 0.000) 3.612 3.381 ( 2.978 2.627 0.000) 3.971 3.507 ( 0.281 3.584 0.000) 3.595 3.538 ( -2.004 -0.303 0.000) 2.027 3.698 ( 0.877 2.620 0.000) 2.763 3.733 ( -2.506 8.974 0.000) 9.317 4.065 ( 12.021 -5.329 0.000) 13.150 4.148 ( 0.509 3.352 0.000) 3.391 4.254 ( 0.429 10.022 0.000) 10.031 4.355 ( -0.274 8.730 0.000) 8.734 4.380 ( -0.364 9.609 0.000) 9.616 4.437 ( -11.617 5.771 0.000) 12.972 5.058 ( 8.243 10.904 0.000) 13.669 5.210 ( -6.025 9.088 0.000) 10.904 5.299 ( 5.563 6.685 0.000) 8.697 5.362 ( -0.374 5.709 0.000) 5.721 5.640 ( -0.497 1.158 0.000) 1.260 5.672 ( -3.826 4.789 0.000) 6.130 5.880 ( 5.053 0.259 0.000) 5.060 5.971 ( -4.455 1.873 0.000) 4.833 6.993 ( 3.801 8.335 0.000) 9.161 7.085 ( -4.816 8.363 0.000) 9.650 7.129 ( 8.146 4.687 0.000) 9.398 7.230 ( -0.928 4.884 0.000) 4.971 7.365 ( 3.653 -3.743 0.000) 5.230 7.423 ( -1.519 2.774 0.000) 3.163 7.639 ( 2.571 11.275 0.000) 11.565 7.671 ( 0.924 17.059 0.000) 17.084 7.697 ( -2.595 15.502 0.000) 15.717 7.710 ( -3.761 19.171 0.000) 19.536 8.125 ( 5.325 13.095 0.000) 14.136 8.230 ( -4.770 12.613 0.000) 13.485 8.687 ( -2.296 17.225 0.000) 17.378 8.698 ( -3.417 18.716 0.000) 19.025 9.197 ( 4.743 1.700 0.000) 5.038 9.247 ( 0.114 -14.041 0.000) 14.042 9.288 ( 0.884 -15.858 0.000) 15.883 9.339 ( -3.152 -31.961 0.000) 32.116 9.471 ( 0.105 -13.159 0.000) 13.160 9.495 ( -2.052 -15.737 0.000) 15.871 9.687 ( 2.978 -3.481 0.000) 4.580 9.754 ( -3.846 -3.762 0.000) 5.380 10.123 ( 8.474 10.079 0.000) 13.168 10.157 ( 4.424 -1.801 0.000) 4.776 10.242 ( -2.744 5.126 0.000) 5.814 10.255 ( -2.805 -5.500 0.000) 6.174 10.813 ( 13.444 -2.756 0.000) 13.724 11.000 ( 0.011 -4.749 0.000) 4.749 11.204 ( 6.383 0.471 0.000) 6.401 11.254 ( 0.590 -0.493 0.000) 0.769 11.291 ( 0.054 -0.772 0.000) 0.774 11.473 ( -11.583 -2.388 0.000) 11.827 11.498 ( 3.734 -0.794 0.000) 3.817 11.752 ( -19.278 5.767 0.000) 20.122 12.171 ( 2.376 -1.307 0.000) 2.712 12.253 ( -4.572 -9.326 0.000) 10.387 12.661 ( 6.514 6.830 0.000) 9.439 12.827 ( -10.089 9.600 0.000) 13.927 13.195 ( 1.992 8.640 0.000) 8.867 13.223 ( -1.247 8.973 0.000) 9.059 13.615 ( 4.320 2.223 0.000) 4.859 13.693 ( -3.979 0.139 0.000) 3.981 14.336 ( 3.687 -1.638 0.000) 4.035 14.362 ( 1.052 -3.835 0.000) 3.976 15.037 ( 2.951 -18.465 0.000) 18.699 15.111 ( -4.257 -19.835 0.000) 20.286 15.714 ( 2.996 -32.308 0.000) 32.447 15.747 ( 0.520 -29.371 0.000) 29.375 16.326 ( 10.857 -3.029 0.000) 11.271 16.525 ( -7.186 -1.942 0.000) 7.444 16.648 ( 0.066 0.116 0.000) 0.133 16.654 ( -0.384 1.234 0.000) 1.292 16.810 ( 5.703 9.268 0.000) 10.882 16.987 ( -12.441 9.743 0.000) 15.802 17.327 ( 5.795 -0.620 0.000) 5.828 17.444 ( -5.521 -1.093 0.000) 5.628 19.378 ( 1.468 7.760 0.000) 7.898 19.412 ( -1.779 8.155 0.000) 8.347 20.153 ( 7.060 -11.210 0.000) 13.248 20.277 ( -5.190 -12.727 0.000) 13.745 21.846 ( 3.245 2.603 0.000) 4.160 21.928 ( -4.899 2.763 0.000) 5.625 22.103 ( 4.811 -2.491 0.000) 5.418 22.216 ( -6.327 -2.413 0.000) 6.771 22.973 ( 3.607 -1.997 0.000) 4.123 23.036 ( -2.585 -1.170 0.000) 2.837 23.067 ( 3.573 -6.900 0.000) 7.770 23.117 ( -1.376 -5.109 0.000) 5.291 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 0.000 -3.034 0.000) 3.034 2.727 ( 0.000 -10.187 0.000) 10.187 2.912 ( 0.000 5.046 0.000) 5.046 2.985 ( 0.000 1.097 0.000) 1.097 3.025 ( 0.000 8.773 0.000) 8.773 3.148 ( 0.000 3.251 0.000) 3.251 3.239 ( 0.000 11.074 0.000) 11.074 3.341 ( 0.000 2.625 0.000) 2.625 3.415 ( 0.000 6.274 0.000) 6.274 3.553 ( 0.000 4.444 0.000) 4.444 3.553 ( 0.000 4.514 0.000) 4.514 3.576 ( 0.000 -0.320 0.000) 0.320 3.669 ( 0.000 -0.676 0.000) 0.676 3.682 ( 0.000 -6.395 0.000) 6.395 3.942 ( 0.000 6.660 0.000) 6.660 4.167 ( 0.000 -4.087 0.000) 4.087 4.468 ( 0.000 7.650 0.000) 7.650 4.537 ( 0.000 5.476 0.000) 5.476 4.646 ( 0.000 12.407 0.000) 12.407 4.781 ( 0.000 5.981 0.000) 5.981 5.118 ( 0.000 4.252 0.000) 4.252 5.157 ( 0.000 2.468 0.000) 2.468 5.370 ( 0.000 2.197 0.000) 2.197 5.373 ( 0.000 1.220 0.000) 1.220 5.670 ( 0.000 1.931 0.000) 1.931 5.744 ( 0.000 0.985 0.000) 0.985 5.975 ( 0.000 9.030 0.000) 9.030 6.159 ( 0.000 0.229 0.000) 0.229 7.025 ( 0.000 3.751 0.000) 3.751 7.044 ( 0.000 1.261 0.000) 1.261 7.159 ( 0.000 6.003 0.000) 6.003 7.259 ( 0.000 11.437 0.000) 11.437 7.513 ( 0.000 4.221 0.000) 4.221 7.548 ( 0.000 9.821 0.000) 9.821 7.715 ( 0.000 7.256 0.000) 7.256 7.775 ( 0.000 -4.762 0.000) 4.762 8.051 ( 0.000 13.093 0.000) 13.093 8.052 ( 0.000 3.252 0.000) 3.252 8.143 ( 0.000 -2.347 0.000) 2.347 8.487 ( 0.000 -5.163 0.000) 5.163 8.623 ( 0.000 -8.758 0.000) 8.758 8.803 ( 0.000 -10.189 0.000) 10.189 9.039 ( 0.000 0.725 0.000) 0.725 9.052 ( 0.000 -13.611 0.000) 13.611 9.173 ( 0.000 -9.195 0.000) 9.195 9.198 ( 0.000 1.626 0.000) 1.626 9.209 ( 0.000 13.120 0.000) 13.120 9.542 ( 0.000 0.918 0.000) 0.918 9.784 ( 0.000 9.899 0.000) 9.899 9.882 ( 0.000 0.802 0.000) 0.802 9.987 ( 0.000 6.518 0.000) 6.518 10.021 ( 0.000 -4.408 0.000) 4.408 10.239 ( 0.000 11.146 0.000) 11.146 10.344 ( 0.000 11.479 0.000) 11.479 10.655 ( 0.000 7.398 0.000) 7.398 10.693 ( 0.000 -13.167 0.000) 13.167 11.013 ( 0.000 3.621 0.000) 3.621 11.237 ( 0.000 -3.676 0.000) 3.676 11.333 ( 0.000 -15.640 0.000) 15.640 11.429 ( 0.000 -8.220 0.000) 8.220 11.569 ( 0.000 4.620 0.000) 4.620 11.986 ( 0.000 -19.146 0.000) 19.146 12.417 ( 0.000 8.673 0.000) 8.673 12.565 ( 0.000 1.505 0.000) 1.505 12.607 ( 0.000 14.102 0.000) 14.102 13.238 ( 0.000 -3.288 0.000) 3.288 13.398 ( 0.000 7.587 0.000) 7.587 13.398 ( 0.000 8.831 0.000) 8.831 13.632 ( 0.000 11.690 0.000) 11.690 13.778 ( 0.000 6.216 0.000) 6.216 14.081 ( 0.000 -10.090 0.000) 10.090 14.209 ( 0.000 4.305 0.000) 4.305 14.685 ( 0.000 -12.663 0.000) 12.663 14.771 ( 0.000 -21.970 0.000) 21.970 14.966 ( 0.000 -29.616 0.000) 29.616 15.083 ( 0.000 -29.078 0.000) 29.078 16.188 ( 0.000 10.597 0.000) 10.597 16.572 ( 0.000 -7.580 0.000) 7.580 16.651 ( 0.000 2.023 0.000) 2.023 16.679 ( 0.000 1.077 0.000) 1.077 16.938 ( 0.000 12.212 0.000) 12.212 17.203 ( 0.000 -1.142 0.000) 1.142 17.431 ( 0.000 4.139 0.000) 4.139 17.555 ( 0.000 -1.029 0.000) 1.029 19.495 ( 0.000 7.267 0.000) 7.267 19.640 ( 0.000 10.385 0.000) 10.385 19.798 ( 0.000 -7.958 0.000) 7.958 20.115 ( 0.000 -13.261 0.000) 13.261 21.824 ( 0.000 2.072 0.000) 2.072 21.938 ( 0.000 -3.686 0.000) 3.686 22.109 ( 0.000 1.877 0.000) 1.877 22.295 ( 0.000 -6.956 0.000) 6.956 22.823 ( 0.000 -0.944 0.000) 0.944 22.851 ( 0.000 -2.062 0.000) 2.062 23.072 ( 0.000 -0.202 0.000) 0.202 23.101 ( 0.000 -1.253 0.000) 1.253 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 2.174 1.258 0.000) 2.511 2.822 ( 7.226 -9.779 0.000) 12.160 2.894 ( -1.989 5.885 0.000) 6.212 2.982 ( -0.275 1.046 0.000) 1.081 3.025 ( 0.135 8.672 0.000) 8.673 3.161 ( 1.467 2.610 0.000) 2.993 3.184 ( -4.787 11.592 0.000) 12.541 3.364 ( 1.867 1.945 0.000) 2.696 3.397 ( -0.309 4.933 0.000) 4.943 3.490 ( -5.433 3.129 0.000) 6.270 3.562 ( -1.696 -0.599 0.000) 1.798 3.581 ( -3.483 -0.949 0.000) 3.610 3.644 ( 5.998 1.716 0.000) 6.239 3.788 ( 6.894 -3.312 0.000) 7.648 3.930 ( -1.323 6.579 0.000) 6.711 4.154 ( -1.370 -4.239 0.000) 4.455 4.453 ( -1.177 7.931 0.000) 8.017 4.533 ( -0.403 4.981 0.000) 4.997 4.581 ( -4.404 9.568 0.000) 10.533 4.721 ( -7.660 2.437 0.000) 8.038 5.132 ( 6.022 9.957 0.000) 11.636 5.278 ( 7.154 3.499 0.000) 7.964 5.362 ( 0.328 3.035 0.000) 3.053 5.409 ( 1.956 1.704 0.000) 2.594 5.688 ( 0.659 2.135 0.000) 2.234 5.768 ( 3.138 -0.690 0.000) 3.212 5.930 ( -4.516 8.607 0.000) 9.720 6.106 ( -4.941 0.295 0.000) 4.950 7.063 ( 4.446 3.132 0.000) 5.438 7.092 ( 3.683 6.191 0.000) 7.204 7.207 ( 4.581 2.315 0.000) 5.133 7.261 ( -0.117 9.333 0.000) 9.333 7.434 ( -5.679 5.573 0.000) 7.957 7.559 ( -1.227 6.554 0.000) 6.668 7.754 ( 3.585 7.679 0.000) 8.474 7.790 ( 1.494 -4.506 0.000) 4.747 8.021 ( -2.612 3.767 0.000) 4.584 8.040 ( -1.188 13.456 0.000) 13.509 8.193 ( 4.483 -0.471 0.000) 4.507 8.463 ( -2.311 -4.217 0.000) 4.808 8.651 ( 2.771 -8.947 0.000) 9.366 8.810 ( 0.445 -11.089 0.000) 11.098 9.037 ( -0.992 5.685 0.000) 5.771 9.046 ( -0.632 -10.841 0.000) 10.860 9.104 ( -2.888 -8.120 0.000) 8.618 9.164 ( -3.762 11.153 0.000) 11.770 9.254 ( 2.636 -4.086 0.000) 4.862 9.488 ( -4.648 -0.936 0.000) 4.741 9.774 ( 0.162 11.883 0.000) 11.884 9.852 ( -2.108 3.367 0.000) 3.973 10.052 ( 2.489 -4.031 0.000) 4.738 10.093 ( 7.307 1.525 0.000) 7.464 10.289 ( 3.901 12.060 0.000) 12.675 10.371 ( 2.429 10.896 0.000) 11.163 10.695 ( 3.881 6.112 0.000) 7.241 10.743 ( 5.620 -10.982 0.000) 12.336 11.067 ( 4.630 1.213 0.000) 4.786 11.202 ( -2.616 -5.666 0.000) 6.241 11.349 ( 0.467 -15.099 0.000) 15.106 11.352 ( -6.834 -6.274 0.000) 9.277 11.540 ( -1.649 5.309 0.000) 5.559 11.986 ( 0.215 -18.451 0.000) 18.452 12.324 ( -17.826 8.181 0.000) 19.614 12.340 ( -8.196 6.803 0.000) 10.651 12.690 ( 4.727 9.098 0.000) 10.253 13.238 ( 0.343 -5.177 0.000) 5.188 13.250 ( -9.884 10.478 0.000) 14.405 13.409 ( -2.693 5.257 0.000) 5.907 13.668 ( 3.484 10.755 0.000) 11.305 13.789 ( 0.874 9.276 0.000) 9.318 14.156 ( 6.290 -9.079 0.000) 11.045 14.266 ( 4.322 2.689 0.000) 5.090 14.678 ( -0.471 -12.995 0.000) 13.003 14.743 ( -2.379 -20.983 0.000) 21.117 15.004 ( 3.361 -28.751 0.000) 28.946 15.106 ( 1.654 -29.278 0.000) 29.325 16.245 ( 5.629 9.605 0.000) 11.132 16.583 ( 0.983 -6.490 0.000) 6.564 16.635 ( -1.949 1.963 0.000) 2.766 16.663 ( -1.375 0.525 0.000) 1.471 16.966 ( 2.801 12.085 0.000) 12.406 17.233 ( 2.981 -1.359 0.000) 3.276 17.357 ( -6.897 6.163 0.000) 9.249 17.519 ( -3.488 -1.305 0.000) 3.724 19.506 ( 1.201 7.789 0.000) 7.881 19.626 ( -1.416 10.213 0.000) 10.310 19.840 ( 3.850 -8.990 0.000) 9.780 20.093 ( -2.244 -13.084 0.000) 13.275 21.841 ( 1.655 2.150 0.000) 2.714 21.961 ( 2.303 -3.861 0.000) 4.495 22.065 ( -4.021 2.065 0.000) 4.520 22.241 ( -4.809 -6.336 0.000) 7.955 22.865 ( 3.677 -0.912 0.000) 3.788 22.894 ( 3.840 -2.419 0.000) 4.539 23.059 ( -1.345 -0.320 0.000) 1.382 23.089 ( -1.263 -1.540 0.000) 1.992 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 6.932 7.168 0.000) 9.972 2.817 ( -6.094 8.340 0.000) 10.329 2.940 ( 3.657 -4.503 0.000) 5.801 2.975 ( -0.593 -0.074 0.000) 0.598 3.037 ( 1.260 8.805 0.000) 8.895 3.087 ( -4.037 10.318 0.000) 11.080 3.224 ( 5.354 0.896 0.000) 5.429 3.357 ( -7.124 0.645 0.000) 7.153 3.408 ( 1.967 1.756 0.000) 2.636 3.416 ( 1.509 1.686 0.000) 2.263 3.512 ( -2.571 -1.903 0.000) 3.199 3.517 ( -2.406 -1.893 0.000) 3.062 3.776 ( 6.301 4.393 0.000) 7.681 3.879 ( -3.933 5.977 0.000) 7.155 3.952 ( 9.009 -5.415 0.000) 10.512 4.099 ( -4.875 -6.011 0.000) 7.739 4.442 ( 0.686 8.238 0.000) 8.266 4.500 ( -4.274 6.792 0.000) 8.025 4.525 ( -0.036 4.665 0.000) 4.665 4.562 ( -5.263 4.695 0.000) 7.053 5.278 ( 6.532 10.074 0.000) 12.006 5.359 ( -1.611 6.034 0.000) 6.245 5.408 ( 5.028 3.606 0.000) 6.187 5.441 ( 0.976 2.286 0.000) 2.486 5.701 ( 2.133 4.406 0.000) 4.895 5.806 ( -7.252 7.483 0.000) 10.421 5.864 ( 5.836 -2.101 0.000) 6.203 5.987 ( -6.424 -0.682 0.000) 6.461 7.161 ( 4.407 7.506 0.000) 8.704 7.202 ( 7.160 4.267 0.000) 8.335 7.237 ( -2.678 7.326 0.000) 7.800 7.321 ( 6.701 0.976 0.000) 6.772 7.322 ( -5.314 4.530 0.000) 6.983 7.470 ( -7.242 3.239 0.000) 7.933 7.833 ( 2.460 -3.353 0.000) 4.158 7.838 ( 3.341 4.422 0.000) 5.543 7.970 ( -1.424 8.579 0.000) 8.696 7.999 ( -2.834 14.317 0.000) 14.595 8.298 ( 5.532 0.330 0.000) 5.542 8.397 ( -4.268 -1.599 0.000) 4.558 8.726 ( 4.352 -10.745 0.000) 11.593 8.799 ( -2.205 -13.043 0.000) 13.228 9.000 ( -0.886 12.341 0.000) 12.373 9.020 ( -1.971 4.293 0.000) 4.723 9.088 ( 0.201 -11.830 0.000) 11.832 9.102 ( -1.698 -3.366 0.000) 3.770 9.308 ( 3.254 -3.851 0.000) 5.042 9.389 ( -4.828 -2.531 0.000) 5.451 9.792 ( 1.300 10.743 0.000) 10.822 9.818 ( -1.368 7.572 0.000) 7.695 10.110 ( 3.321 -3.559 0.000) 4.868 10.164 ( -0.889 -4.422 0.000) 4.511 10.375 ( 4.232 14.326 0.000) 14.938 10.412 ( 0.738 11.729 0.000) 11.753 10.804 ( 6.591 0.984 0.000) 6.664 10.873 ( 3.218 -7.798 0.000) 8.436 11.129 ( 0.812 -5.134 0.000) 5.198 11.156 ( -1.800 -7.962 0.000) 8.163 11.245 ( -0.736 -4.898 0.000) 4.953 11.314 ( -4.329 -11.935 0.000) 12.696 11.604 ( 10.469 9.085 0.000) 13.862 11.929 ( -20.089 9.877 0.000) 22.386 12.013 ( 3.157 -13.067 0.000) 13.443 12.140 ( -9.705 -1.779 0.000) 9.867 12.825 ( 8.968 10.653 0.000) 13.925 13.032 ( -11.335 11.303 0.000) 16.007 13.266 ( 2.562 -3.734 0.000) 4.529 13.334 ( -4.057 0.995 0.000) 4.177 13.744 ( 3.515 10.755 0.000) 11.315 13.791 ( -1.052 11.196 0.000) 11.245 14.278 ( 5.000 -6.524 0.000) 8.220 14.325 ( 0.644 -1.356 0.000) 1.501 14.674 ( 0.241 -14.223 0.000) 14.225 14.695 ( -1.998 -17.960 0.000) 18.071 15.076 ( 3.371 -28.132 0.000) 28.333 15.120 ( -0.723 -28.753 0.000) 28.762 16.395 ( 8.733 6.266 0.000) 10.748 16.553 ( -6.399 2.852 0.000) 7.005 16.608 ( 1.455 -3.881 0.000) 4.145 16.636 ( -1.373 -1.187 0.000) 1.815 17.050 ( 5.755 11.749 0.000) 13.083 17.194 ( -8.488 9.939 0.000) 13.070 17.316 ( 5.200 -1.743 0.000) 5.485 17.427 ( -5.503 -1.738 0.000) 5.771 19.541 ( 2.206 8.804 0.000) 9.077 19.588 ( -2.293 9.681 0.000) 9.949 19.933 ( 5.102 -10.931 0.000) 12.063 20.028 ( -4.188 -12.391 0.000) 13.079 21.891 ( 3.395 2.312 0.000) 4.108 21.973 ( -4.711 2.320 0.000) 5.251 22.028 ( 4.409 -4.415 0.000) 6.240 22.131 ( -5.697 -5.300 0.000) 7.782 22.946 ( 4.103 -0.762 0.000) 4.173 22.979 ( 4.206 -2.619 0.000) 4.955 23.017 ( -2.896 -0.547 0.000) 2.947 23.049 ( -2.788 -2.187 0.000) 3.544 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 0.000 -4.083 0.000) 4.083 2.580 ( 0.000 4.083 0.000) 4.083 2.978 ( 0.000 -1.819 0.000) 1.819 2.978 ( 0.000 1.819 0.000) 1.819 3.147 ( 0.000 -3.275 0.000) 3.275 3.147 ( 0.000 3.275 0.000) 3.275 3.363 ( 0.000 -1.417 0.000) 1.417 3.363 ( 0.000 1.417 0.000) 1.417 3.542 ( 0.000 -6.548 0.000) 6.548 3.542 ( 0.000 6.548 0.000) 6.548 3.583 ( 0.000 -0.713 0.000) 0.713 3.583 ( 0.000 0.713 0.000) 0.713 3.634 ( 0.000 -2.703 0.000) 2.703 3.634 ( 0.000 2.703 0.000) 2.703 4.062 ( 0.000 -5.832 0.000) 5.832 4.062 ( 0.000 5.832 0.000) 5.832 4.572 ( 0.000 -2.052 0.000) 2.052 4.572 ( 0.000 2.052 0.000) 2.052 4.805 ( 0.000 -3.582 0.000) 3.582 4.805 ( 0.000 3.582 0.000) 3.582 5.174 ( 0.000 -1.023 0.000) 1.023 5.174 ( 0.000 1.024 0.000) 1.024 5.389 ( 0.000 -0.178 0.000) 0.178 5.389 ( 0.000 0.178 0.000) 0.178 5.725 ( 0.000 -2.659 0.000) 2.659 5.725 ( 0.000 2.659 0.000) 2.659 6.114 ( 0.000 -4.768 0.000) 4.768 6.114 ( 0.000 4.768 0.000) 4.768 7.049 ( 0.000 -0.405 0.000) 0.405 7.049 ( 0.000 0.405 0.000) 0.405 7.461 ( 0.000 -20.927 0.000) 20.927 7.461 ( 0.000 20.927 0.000) 20.927 7.479 ( 0.000 -7.885 0.000) 7.885 7.479 ( 0.000 7.885 0.000) 7.885 7.735 ( 0.000 -8.383 0.000) 8.383 7.735 ( 0.000 8.383 0.000) 8.383 8.039 ( 0.000 -0.882 0.000) 0.882 8.039 ( 0.000 0.882 0.000) 0.882 8.258 ( 0.000 -8.835 0.000) 8.835 8.258 ( 0.000 8.835 0.000) 8.835 8.795 ( 0.000 -12.314 0.000) 12.314 8.795 ( 0.000 12.314 0.000) 12.314 8.852 ( 0.000 -10.680 0.000) 10.680 8.852 ( 0.000 10.680 0.000) 10.680 9.201 ( 0.000 -2.865 0.000) 2.865 9.201 ( 0.000 2.866 0.000) 2.866 9.436 ( 0.000 -9.289 0.000) 9.289 9.436 ( 0.000 9.290 0.000) 9.290 9.934 ( 0.000 -4.001 0.000) 4.001 9.934 ( 0.000 4.001 0.000) 4.001 9.996 ( 0.000 -6.971 0.000) 6.971 9.996 ( 0.000 6.972 0.000) 6.972 10.453 ( 0.000 -10.474 0.000) 10.474 10.453 ( 0.000 10.475 0.000) 10.475 10.619 ( 0.000 -12.367 0.000) 12.367 10.619 ( 0.000 12.367 0.000) 12.367 11.160 ( 0.000 -0.779 0.000) 0.779 11.160 ( 0.000 0.779 0.000) 0.779 11.192 ( 0.000 -13.795 0.000) 13.795 11.192 ( 0.000 13.795 0.000) 13.795 11.701 ( 0.000 -9.419 0.000) 9.419 11.701 ( 0.000 9.419 0.000) 9.419 12.538 ( 0.000 -3.833 0.000) 3.833 12.538 ( 0.000 3.833 0.000) 3.833 12.962 ( 0.000 -19.392 0.000) 19.392 12.962 ( 0.000 19.392 0.000) 19.392 13.495 ( 0.000 -0.245 0.000) 0.245 13.495 ( 0.000 0.245 0.000) 0.245 13.868 ( 0.000 -11.692 0.000) 11.692 13.868 ( 0.000 11.692 0.000) 11.692 14.086 ( 0.000 -18.308 0.000) 18.308 14.086 ( 0.000 18.308 0.000) 18.308 14.591 ( 0.000 -6.275 0.000) 6.275 14.591 ( 0.000 6.276 0.000) 6.276 14.647 ( 0.000 -12.585 0.000) 12.585 14.647 ( 0.000 12.586 0.000) 12.586 16.401 ( 0.000 -10.003 0.000) 10.003 16.401 ( 0.000 10.003 0.000) 10.003 16.681 ( 0.000 -0.881 0.000) 0.881 16.681 ( 0.000 0.881 0.000) 0.881 17.127 ( 0.000 -6.755 0.000) 6.755 17.127 ( 0.000 6.755 0.000) 6.755 17.511 ( 0.000 -3.423 0.000) 3.423 17.511 ( 0.000 3.423 0.000) 3.423 19.643 ( 0.000 -7.753 0.000) 7.753 19.643 ( 0.000 7.754 0.000) 7.754 19.863 ( 0.000 -12.166 0.000) 12.166 19.863 ( 0.000 12.166 0.000) 12.166 21.872 ( 0.000 -2.889 0.000) 2.889 21.872 ( 0.000 2.889 0.000) 2.889 22.173 ( 0.000 -4.819 0.000) 4.819 22.173 ( 0.000 4.820 0.000) 4.820 22.824 ( 0.000 -0.820 0.000) 0.820 22.824 ( 0.000 0.820 0.000) 0.820 23.079 ( 0.000 -0.852 0.000) 0.852 23.079 ( 0.000 0.852 0.000) 0.852 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 6.966 -6.402 0.000) 9.461 2.655 ( 6.966 6.402 0.000) 9.461 2.971 ( -0.772 -2.148 0.000) 2.282 2.971 ( -0.772 2.148 0.000) 2.283 3.150 ( 0.466 -3.613 0.000) 3.643 3.150 ( 0.466 3.613 0.000) 3.643 3.348 ( -1.800 -4.391 0.000) 4.746 3.348 ( -1.800 4.391 0.000) 4.746 3.498 ( -2.561 -5.235 0.000) 5.828 3.498 ( -2.561 5.235 0.000) 5.828 3.535 ( -4.171 -2.187 0.000) 4.709 3.535 ( -4.171 2.187 0.000) 4.709 3.718 ( 6.459 -3.868 0.000) 7.529 3.718 ( 6.459 3.868 0.000) 7.529 4.047 ( -1.698 -5.717 0.000) 5.964 4.047 ( -1.698 5.717 0.000) 5.964 4.561 ( -0.891 -2.309 0.000) 2.475 4.561 ( -0.891 2.309 0.000) 2.475 4.711 ( -7.037 -3.539 0.000) 7.877 4.711 ( -7.037 3.539 0.000) 7.877 5.280 ( 8.066 -3.898 0.000) 8.958 5.280 ( 8.066 3.898 0.000) 8.958 5.410 ( 1.815 -1.491 0.000) 2.349 5.410 ( 1.815 1.491 0.000) 2.349 5.735 ( 1.276 -2.383 0.000) 2.703 5.735 ( 1.276 2.383 0.000) 2.703 6.063 ( -4.912 -4.617 0.000) 6.741 6.063 ( -4.912 4.617 0.000) 6.741 7.106 ( 5.237 -1.642 0.000) 5.488 7.106 ( 5.237 1.642 0.000) 5.488 7.434 ( -3.885 -5.726 0.000) 6.920 7.434 ( -3.885 5.726 0.000) 6.920 7.482 ( 2.265 -20.532 0.000) 20.657 7.482 ( 2.265 20.532 0.000) 20.657 7.730 ( -1.458 -10.849 0.000) 10.946 7.730 ( -1.458 10.849 0.000) 10.947 8.077 ( 3.757 -6.658 0.000) 7.645 8.077 ( 3.757 6.658 0.000) 7.645 8.255 ( -0.363 -9.075 0.000) 9.082 8.255 ( -0.363 9.075 0.000) 9.082 8.802 ( 0.631 -11.933 0.000) 11.950 8.802 ( 0.631 11.933 0.000) 11.950 8.851 ( -0.147 -10.455 0.000) 10.456 8.851 ( -0.147 10.455 0.000) 10.456 9.195 ( -0.306 -4.919 0.000) 4.928 9.195 ( -0.306 4.919 0.000) 4.928 9.384 ( -4.617 -8.825 0.000) 9.960 9.384 ( -4.617 8.825 0.000) 9.960 9.949 ( 1.498 -5.724 0.000) 5.917 9.949 ( 1.498 5.724 0.000) 5.917 10.014 ( 1.168 -9.629 0.000) 9.699 10.014 ( 1.168 9.629 0.000) 9.699 10.529 ( 6.870 -10.831 0.000) 12.826 10.529 ( 6.870 10.832 0.000) 12.826 10.645 ( 2.330 -12.901 0.000) 13.109 10.645 ( 2.330 12.901 0.000) 13.109 11.143 ( -1.611 -4.239 0.000) 4.535 11.143 ( -1.611 4.239 0.000) 4.535 11.175 ( -1.927 -9.725 0.000) 9.914 11.175 ( -1.927 9.725 0.000) 9.914 11.694 ( 0.562 -10.581 0.000) 10.596 11.694 ( 0.562 10.582 0.000) 10.596 12.406 ( -13.062 -1.306 0.000) 13.127 12.406 ( -13.062 1.306 0.000) 13.127 12.973 ( 2.421 -17.479 0.000) 17.646 12.973 ( 2.421 17.479 0.000) 17.646 13.417 ( -7.089 -4.922 0.000) 8.630 13.417 ( -7.089 4.922 0.000) 8.630 13.920 ( 4.538 -14.069 0.000) 14.783 13.920 ( 4.538 14.069 0.000) 14.783 14.107 ( 1.109 -18.520 0.000) 18.554 14.107 ( 1.109 18.520 0.000) 18.554 14.619 ( 2.495 -8.856 0.000) 9.201 14.619 ( 2.495 8.856 0.000) 9.201 14.662 ( 1.339 -13.891 0.000) 13.955 14.662 ( 1.339 13.891 0.000) 13.955 16.433 ( 3.174 -8.765 0.000) 9.322 16.433 ( 3.174 8.765 0.000) 9.322 16.663 ( -1.914 -0.709 0.000) 2.041 16.663 ( -1.914 0.709 0.000) 2.041 17.154 ( 2.770 -6.809 0.000) 7.351 17.154 ( 2.770 6.809 0.000) 7.351 17.465 ( -4.421 -4.295 0.000) 6.163 17.465 ( -4.421 4.295 0.000) 6.163 19.667 ( 2.308 -8.497 0.000) 8.805 19.667 ( 2.308 8.497 0.000) 8.805 19.845 ( -1.821 -11.951 0.000) 12.089 19.845 ( -1.821 11.951 0.000) 12.089 21.891 ( 1.904 -3.079 0.000) 3.620 21.891 ( 1.904 3.079 0.000) 3.620 22.128 ( -4.041 -4.579 0.000) 6.107 22.128 ( -4.041 4.579 0.000) 6.107 22.864 ( 3.624 -0.780 0.000) 3.707 22.864 ( 3.624 0.780 0.000) 3.707 23.065 ( -1.475 -0.846 0.000) 1.700 23.065 ( -1.475 0.846 0.000) 1.700 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 8.250 -7.150 0.000) 10.917 2.819 ( 8.250 7.150 0.000) 10.917 2.936 ( -3.305 -3.900 0.000) 5.112 2.936 ( -3.305 3.900 0.000) 5.112 3.178 ( 2.873 -5.152 0.000) 5.899 3.178 ( 2.873 5.152 0.000) 5.899 3.272 ( -5.655 -7.737 0.000) 9.583 3.272 ( -5.655 7.737 0.000) 9.583 3.462 ( -0.963 -2.752 0.000) 2.916 3.462 ( -0.963 2.752 0.000) 2.916 3.466 ( -1.763 -3.033 0.000) 3.508 3.466 ( -1.763 3.033 0.000) 3.508 3.859 ( 7.264 -4.213 0.000) 8.397 3.859 ( 7.264 4.213 0.000) 8.397 3.984 ( -4.870 -5.229 0.000) 7.145 3.984 ( -4.869 5.229 0.000) 7.145 4.550 ( 0.274 -2.289 0.000) 2.306 4.550 ( 0.274 2.290 0.000) 2.306 4.591 ( -4.201 -1.823 0.000) 4.579 4.591 ( -4.201 1.823 0.000) 4.579 5.415 ( 4.326 -3.304 0.000) 5.444 5.415 ( 4.326 3.304 0.000) 5.444 5.443 ( 0.892 -2.228 0.000) 2.400 5.443 ( 0.892 2.228 0.000) 2.400 5.795 ( 5.246 -4.632 0.000) 6.998 5.795 ( 5.246 4.632 0.000) 6.998 5.933 ( -7.656 -4.859 0.000) 9.068 5.933 ( -7.656 4.859 0.000) 9.068 7.229 ( 6.387 -1.735 0.000) 6.618 7.229 ( 6.387 1.735 0.000) 6.618 7.343 ( -5.138 -2.767 0.000) 5.836 7.343 ( -5.138 2.767 0.000) 5.836 7.554 ( 4.941 -18.978 0.000) 19.611 7.554 ( 4.941 18.979 0.000) 19.611 7.661 ( -5.105 -15.416 0.000) 16.239 7.661 ( -5.105 15.416 0.000) 16.239 8.167 ( 4.515 -9.660 0.000) 10.663 8.167 ( 4.515 9.660 0.000) 10.663 8.234 ( -2.080 -9.625 0.000) 9.847 8.234 ( -2.080 9.626 0.000) 9.848 8.820 ( 1.151 -10.952 0.000) 11.013 8.820 ( 1.151 10.952 0.000) 11.013 8.842 ( -0.862 -10.257 0.000) 10.293 8.842 ( -0.862 10.257 0.000) 10.293 9.209 ( 2.165 -7.320 0.000) 7.633 9.209 ( 2.165 7.320 0.000) 7.633 9.283 ( -4.936 -8.395 0.000) 9.739 9.283 ( -4.936 8.395 0.000) 9.739 9.988 ( 2.160 -8.346 0.000) 8.621 9.988 ( 2.160 8.346 0.000) 8.621 10.020 ( -0.745 -10.462 0.000) 10.489 10.020 ( -0.745 10.462 0.000) 10.489 10.665 ( 5.019 -13.678 0.000) 14.569 10.665 ( 5.019 13.678 0.000) 14.569 10.693 ( 1.627 -14.088 0.000) 14.182 10.693 ( 1.627 14.088 0.000) 14.182 11.109 ( -1.184 -6.424 0.000) 6.532 11.109 ( -1.184 6.424 0.000) 6.532 11.122 ( -2.555 -5.048 0.000) 5.658 11.122 ( -2.555 5.048 0.000) 5.658 11.790 ( 10.107 -9.706 0.000) 14.013 11.790 ( 10.107 9.706 0.000) 14.013 12.080 ( -17.560 -5.036 0.000) 18.268 12.080 ( -17.560 5.037 0.000) 18.268 13.075 ( 7.456 -13.330 0.000) 15.274 13.075 ( 7.456 13.330 0.000) 15.274 13.247 ( -9.260 -9.116 0.000) 12.994 13.247 ( -9.260 9.116 0.000) 12.994 14.020 ( 4.942 -16.351 0.000) 17.082 14.020 ( 4.942 16.351 0.000) 17.082 14.097 ( -2.392 -17.883 0.000) 18.042 14.097 ( -2.392 17.883 0.000) 18.042 14.669 ( 1.963 -12.359 0.000) 12.514 14.669 ( 1.963 12.360 0.000) 12.514 14.684 ( 0.440 -14.388 0.000) 14.395 14.684 ( 0.440 14.388 0.000) 14.395 16.516 ( 4.734 -5.517 0.000) 7.270 16.516 ( 4.734 5.517 0.000) 7.270 16.605 ( -3.882 -2.126 0.000) 4.426 16.605 ( -3.882 2.126 0.000) 4.426 17.235 ( 5.243 -6.763 0.000) 8.558 17.235 ( 5.243 6.763 0.000) 8.558 17.353 ( -6.297 -5.920 0.000) 8.643 17.353 ( -6.297 5.921 0.000) 8.643 19.726 ( 3.450 -9.985 0.000) 10.564 19.726 ( 3.450 9.985 0.000) 10.564 19.794 ( -3.155 -11.242 0.000) 11.676 19.794 ( -3.155 11.242 0.000) 11.676 21.947 ( 3.712 -3.553 0.000) 5.138 21.947 ( 3.712 3.553 0.000) 5.138 22.035 ( -4.872 -4.101 0.000) 6.368 22.035 ( -4.872 4.101 0.000) 6.368 22.947 ( 4.202 -0.814 0.000) 4.280 22.947 ( 4.202 0.814 0.000) 4.280 23.020 ( -3.035 -0.844 0.000) 3.150 23.020 ( -3.035 0.844 0.000) 3.150 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 0.000 0.000 29.935) 29.935 0.665 ( 0.000 0.000 35.287) 35.287 1.012 ( 0.000 0.000 53.419) 53.419 1.979 ( 0.000 0.000 -17.962) 17.962 2.229 ( 0.000 0.000 -20.028) 20.028 2.373 ( 0.000 0.000 9.562) 9.562 2.509 ( 0.000 0.000 0.094) 0.094 2.678 ( 0.000 0.000 4.399) 4.399 2.688 ( 0.000 0.000 5.565) 5.565 2.793 ( 0.000 0.000 9.123) 9.123 3.014 ( 0.000 0.000 -5.555) 5.555 3.096 ( 0.000 0.000 -3.757) 3.757 3.201 ( 0.000 0.000 -2.182) 2.182 3.247 ( 0.000 0.000 2.593) 2.593 3.255 ( 0.000 0.000 6.747) 6.747 3.273 ( 0.000 0.000 -17.896) 17.896 3.338 ( 0.000 0.000 -0.645) 0.645 3.786 ( 0.000 0.000 4.716) 4.716 3.796 ( 0.000 0.000 -0.251) 0.251 4.253 ( 0.000 0.000 -5.949) 5.949 4.342 ( 0.000 0.000 2.269) 2.269 4.563 ( 0.000 0.000 -0.103) 0.103 4.574 ( 0.000 0.000 -0.333) 0.333 4.797 ( 0.000 0.000 1.346) 1.346 4.824 ( 0.000 0.000 2.752) 2.752 4.875 ( 0.000 0.000 -6.924) 6.924 4.891 ( 0.000 0.000 -1.045) 1.045 5.079 ( 0.000 0.000 -1.552) 1.552 5.687 ( 0.000 0.000 -3.034) 3.034 5.732 ( 0.000 0.000 -1.565) 1.565 6.177 ( 0.000 0.000 -0.277) 0.277 6.325 ( 0.000 0.000 -1.691) 1.691 6.828 ( 0.000 0.000 2.786) 2.786 6.982 ( 0.000 0.000 3.768) 3.768 7.072 ( 0.000 0.000 -3.160) 3.160 7.118 ( 0.000 0.000 -1.276) 1.276 7.215 ( 0.000 0.000 -3.111) 3.111 7.502 ( 0.000 0.000 -12.462) 12.462 7.563 ( 0.000 0.000 13.966) 13.966 7.954 ( 0.000 0.000 7.722) 7.722 8.442 ( 0.000 0.000 1.996) 1.996 8.597 ( 0.000 0.000 0.641) 0.641 8.621 ( 0.000 0.000 0.024) 0.024 8.670 ( 0.000 0.000 -6.607) 6.607 9.300 ( 0.000 0.000 7.892) 7.892 9.698 ( 0.000 0.000 -2.300) 2.300 9.834 ( 0.000 0.000 1.637) 1.637 9.985 ( 0.000 0.000 -2.413) 2.413 10.267 ( 0.000 0.000 1.596) 1.596 10.515 ( 0.000 0.000 -4.184) 4.184 10.530 ( 0.000 0.000 5.061) 5.061 10.654 ( 0.000 0.000 -2.776) 2.776 10.716 ( 0.000 0.000 1.053) 1.053 10.724 ( 0.000 0.000 -6.159) 6.159 11.039 ( 0.000 0.000 7.667) 7.667 11.128 ( 0.000 0.000 0.262) 0.262 11.310 ( 0.000 0.000 -5.257) 5.257 11.370 ( 0.000 0.000 2.492) 2.492 11.661 ( 0.000 0.000 -5.048) 5.048 11.780 ( 0.000 0.000 -11.251) 11.251 11.922 ( 0.000 0.000 4.172) 4.172 12.013 ( 0.000 0.000 0.975) 0.975 12.178 ( 0.000 0.000 2.127) 2.127 12.216 ( 0.000 0.000 2.530) 2.530 12.489 ( 0.000 0.000 8.249) 8.249 12.942 ( 0.000 0.000 1.825) 1.825 13.472 ( 0.000 0.000 -0.034) 0.034 13.813 ( 0.000 0.000 6.152) 6.152 13.829 ( 0.000 0.000 6.417) 6.417 13.837 ( 0.000 0.000 -16.437) 16.437 14.229 ( 0.000 0.000 -4.494) 4.494 14.244 ( 0.000 0.000 -4.245) 4.245 14.653 ( 0.000 0.000 -1.782) 1.782 14.764 ( 0.000 0.000 -5.488) 5.488 15.366 ( 0.000 0.000 8.924) 8.924 15.619 ( 0.000 0.000 2.346) 2.346 15.676 ( 0.000 0.000 11.869) 11.869 16.109 ( 0.000 0.000 -1.300) 1.300 16.161 ( 0.000 0.000 -2.644) 2.644 16.255 ( 0.000 0.000 -4.802) 4.802 18.733 ( 0.000 0.000 2.804) 2.804 18.967 ( 0.000 0.000 -2.855) 2.855 19.778 ( 0.000 0.000 3.654) 3.654 19.968 ( 0.000 0.000 0.176) 0.176 19.983 ( 0.000 0.000 -0.184) 0.184 19.984 ( 0.000 0.000 0.128) 0.128 19.994 ( 0.000 0.000 -0.120) 0.120 20.167 ( 0.000 0.000 -7.438) 7.438 20.707 ( 0.000 0.000 8.149) 8.149 21.200 ( 0.000 0.000 -7.211) 7.211 21.384 ( 0.000 0.000 2.784) 2.784 21.432 ( 0.000 0.000 0.096) 0.096 23.049 ( 0.000 0.000 2.980) 2.980 23.401 ( 0.000 0.000 -8.879) 8.879 23.754 ( 0.000 0.000 9.974) 9.974 24.206 ( 0.000 0.000 -4.363) 4.363 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 20.071 0.000 20.881) 28.963 0.925 ( 22.168 0.000 24.410) 32.974 1.421 ( 35.765 0.000 35.582) 50.450 2.042 ( 3.508 0.000 -19.789) 20.097 2.188 ( -12.863 0.000 9.450) 15.961 2.215 ( -4.864 0.000 -11.900) 12.855 2.494 ( -1.956 0.000 2.010) 2.805 2.523 ( -7.723 0.000 -0.964) 7.783 2.712 ( 0.794 0.000 6.819) 6.865 2.834 ( -0.328 0.000 3.334) 3.350 2.850 ( -10.997 0.000 -0.721) 11.021 3.006 ( -4.862 0.000 -0.958) 4.955 3.161 ( -3.200 0.000 2.560) 4.098 3.271 ( 6.115 0.000 -5.069) 7.942 3.331 ( 5.039 0.000 -0.578) 5.072 3.383 ( 3.383 0.000 -0.901) 3.501 3.494 ( 9.445 0.000 -8.772) 12.891 3.669 ( -6.913 0.000 6.970) 9.817 3.890 ( 6.711 0.000 -4.519) 8.091 4.171 ( -17.846 0.000 1.514) 17.910 4.308 ( 5.558 0.000 -3.692) 6.673 4.576 ( 2.031 0.000 0.392) 2.068 4.578 ( -8.265 0.000 2.415) 8.610 4.622 ( 3.859 0.000 -0.795) 3.940 4.776 ( -2.029 0.000 1.356) 2.441 4.868 ( -2.209 0.000 -1.023) 2.435 4.996 ( 0.531 0.000 -5.462) 5.488 5.103 ( 0.363 0.000 -1.657) 1.696 5.671 ( 2.313 0.000 -1.419) 2.714 5.906 ( 8.679 0.000 -7.198) 11.275 6.144 ( -5.891 0.000 8.134) 10.043 6.206 ( -2.969 0.000 4.235) 5.172 6.771 ( -1.267 0.000 2.372) 2.690 6.896 ( 3.534 0.000 0.162) 3.538 7.149 ( 3.990 0.000 -8.182) 9.103 7.193 ( -1.735 0.000 -3.472) 3.881 7.333 ( 2.897 0.000 6.099) 6.752 7.547 ( 3.077 0.000 6.871) 7.528 7.655 ( 9.751 0.000 -4.827) 10.880 7.899 ( -7.644 0.000 3.021) 8.219 8.439 ( 6.121 0.000 -3.411) 7.007 8.598 ( 0.157 0.000 0.596) 0.616 8.618 ( -0.293 0.000 0.101) 0.310 8.693 ( 0.653 0.000 -6.062) 6.097 9.402 ( 2.297 0.000 -2.299) 3.249 9.598 ( -8.656 0.000 -2.793) 9.096 9.836 ( 0.274 0.000 1.142) 1.175 9.946 ( -3.069 0.000 -1.830) 3.573 10.319 ( -11.540 0.000 15.120) 19.020 10.324 ( 4.737 0.000 1.586) 4.996 10.508 ( -0.645 0.000 2.544) 2.625 10.574 ( 4.107 0.000 -1.529) 4.382 10.722 ( 0.602 0.000 0.562) 0.824 10.758 ( -11.679 0.000 -6.602) 13.416 11.089 ( -3.579 0.000 0.287) 3.591 11.176 ( -7.938 0.000 -1.568) 8.091 11.181 ( 11.176 0.000 -4.005) 11.871 11.483 ( 6.072 0.000 -1.385) 6.228 11.642 ( -5.807 0.000 -4.462) 7.323 11.660 ( -0.296 0.000 -4.645) 4.655 12.087 ( 9.248 0.000 2.996) 9.721 12.113 ( 5.738 0.000 4.103) 7.054 12.211 ( 2.424 0.000 1.222) 2.714 12.255 ( 8.251 0.000 1.990) 8.488 12.677 ( 10.217 0.000 -7.673) 12.777 12.947 ( -0.135 0.000 0.443) 0.464 13.375 ( -7.929 0.000 -0.217) 7.932 13.724 ( -13.076 0.000 -10.337) 16.668 13.814 ( 0.106 0.000 6.172) 6.173 13.827 ( -0.187 0.000 6.385) 6.388 14.231 ( 0.156 0.000 -4.462) 4.464 14.243 ( -0.124 0.000 -4.262) 4.263 14.621 ( 4.090 0.000 2.326) 4.706 14.849 ( 3.138 0.000 -2.065) 3.756 15.390 ( 1.781 0.000 1.783) 2.521 15.594 ( -3.457 0.000 1.720) 3.861 15.702 ( 2.549 0.000 11.228) 11.513 15.877 ( -6.476 0.000 9.152) 11.211 16.269 ( 1.402 0.000 -4.693) 4.898 16.354 ( 3.871 0.000 -10.286) 10.991 18.765 ( 3.219 0.000 3.454) 4.721 18.990 ( 0.576 0.000 -0.182) 0.604 19.771 ( -0.729 0.000 2.689) 2.786 19.967 ( -0.050 0.000 0.156) 0.164 19.978 ( -0.330 0.000 -0.071) 0.337 19.988 ( 0.282 0.000 0.037) 0.285 19.996 ( 0.112 0.000 -0.122) 0.165 20.013 ( -15.312 0.000 3.302) 15.664 20.498 ( -8.537 0.000 22.088) 23.680 20.844 ( -9.632 0.000 11.255) 14.814 21.199 ( -4.218 0.000 -6.475) 7.728 21.364 ( -8.052 0.000 -3.009) 8.596 23.130 ( 7.043 0.000 3.174) 7.725 23.489 ( -1.332 0.000 -5.118) 5.289 24.082 ( 13.569 0.000 -6.906) 15.226 24.303 ( 6.477 0.000 -10.313) 12.178 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 23.234 0.000 12.773) 26.513 1.421 ( 26.087 0.000 13.839) 29.530 1.722 ( -20.016 0.000 8.194) 21.628 1.914 ( -22.418 0.000 6.281) 23.282 2.122 ( 14.312 0.000 -2.367) 14.506 2.238 ( 5.669 0.000 3.659) 6.747 2.518 ( 16.624 0.000 0.646) 16.636 2.544 ( 7.216 0.000 -12.979) 14.851 2.695 ( -1.231 0.000 9.099) 9.182 2.719 ( -9.126 0.000 -9.878) 13.448 2.749 ( 1.933 0.000 5.646) 5.968 3.003 ( 3.175 0.000 7.184) 7.854 3.083 ( -4.354 0.000 5.538) 7.044 3.236 ( -30.586 0.000 5.870) 31.144 3.410 ( 2.666 0.000 -1.023) 2.855 3.430 ( 0.781 0.000 -1.130) 1.373 3.432 ( 8.024 0.000 -1.321) 8.132 3.614 ( -7.992 0.000 -6.313) 10.185 3.926 ( 5.218 0.000 -7.957) 9.515 4.014 ( -0.123 0.000 -0.134) 0.182 4.437 ( 5.178 0.000 -3.269) 6.124 4.496 ( -2.101 0.000 -2.593) 3.337 4.637 ( 3.773 0.000 0.754) 3.848 4.699 ( 0.826 0.000 -0.721) 1.097 4.731 ( 0.366 0.000 0.902) 0.974 4.806 ( -3.955 0.000 -0.909) 4.058 4.967 ( 0.038 0.000 -2.514) 2.515 5.044 ( -5.590 0.000 -0.585) 5.621 5.769 ( 6.830 0.000 0.429) 6.843 5.915 ( -7.003 0.000 0.317) 7.010 6.124 ( 4.764 0.000 3.371) 5.837 6.192 ( -1.358 0.000 2.155) 2.547 6.826 ( 5.934 0.000 -1.512) 6.123 6.941 ( -1.479 0.000 -4.876) 5.095 7.090 ( -3.321 0.000 0.428) 3.348 7.145 ( -5.174 0.000 -0.077) 5.174 7.467 ( 11.502 0.000 3.612) 12.056 7.681 ( -3.530 0.000 3.937) 5.288 7.710 ( 3.792 0.000 1.472) 4.067 7.811 ( 0.454 0.000 -2.971) 3.006 8.592 ( 7.085 0.000 -3.914) 8.094 8.603 ( 0.314 0.000 0.467) 0.563 8.610 ( -0.398 0.000 0.280) 0.487 8.684 ( -2.005 0.000 -3.445) 3.986 9.357 ( -2.595 0.000 -1.591) 3.044 9.419 ( -8.115 0.000 -2.989) 8.648 9.850 ( 1.233 0.000 0.097) 1.236 9.887 ( -2.553 0.000 -0.935) 2.719 10.258 ( 5.269 0.000 7.072) 8.818 10.420 ( 4.332 0.000 2.371) 4.938 10.473 ( -14.493 0.000 -0.879) 14.520 10.483 ( -2.058 0.000 3.283) 3.874 10.672 ( 4.899 0.000 -2.234) 5.384 10.730 ( -0.572 0.000 -1.022) 1.171 11.017 ( -2.442 0.000 0.431) 2.480 11.040 ( -4.871 0.000 -0.482) 4.894 11.382 ( 9.073 0.000 -1.371) 9.176 11.535 ( -6.226 0.000 -1.483) 6.400 11.584 ( 3.991 0.000 -2.662) 4.798 11.641 ( -1.795 0.000 -3.743) 4.152 12.163 ( 2.002 0.000 3.989) 4.463 12.182 ( 0.317 0.000 1.774) 1.802 12.381 ( 10.037 0.000 -2.463) 10.335 12.438 ( 5.922 0.000 0.211) 5.926 12.827 ( 5.706 0.000 -5.919) 8.221 12.916 ( -3.145 0.000 -3.122) 4.431 13.252 ( -1.277 0.000 1.360) 1.865 13.407 ( -15.309 0.000 -0.939) 15.338 13.817 ( 0.210 0.000 6.228) 6.232 13.822 ( -0.260 0.000 6.309) 6.315 14.235 ( 0.235 0.000 -4.386) 4.393 14.240 ( -0.216 0.000 -4.311) 4.316 14.758 ( 7.269 0.000 -0.179) 7.271 14.859 ( -2.329 0.000 -0.440) 2.370 15.432 ( 2.676 0.000 -0.823) 2.800 15.504 ( -4.536 0.000 0.453) 4.558 15.761 ( 3.019 0.000 9.818) 10.272 15.811 ( -2.096 0.000 8.781) 9.028 16.308 ( 2.501 0.000 -4.961) 5.555 16.358 ( -2.021 0.000 -6.760) 7.056 18.853 ( 5.216 0.000 4.980) 7.211 18.952 ( -4.134 0.000 5.045) 6.522 19.761 ( 0.409 0.000 0.208) 0.459 19.808 ( -4.926 0.000 1.664) 5.200 19.968 ( 0.111 0.000 0.099) 0.149 19.972 ( -0.285 0.000 0.016) 0.285 19.994 ( 0.246 0.000 -0.026) 0.247 19.997 ( -0.063 0.000 -0.089) 0.109 20.520 ( 6.410 0.000 9.551) 11.502 20.681 ( -8.740 0.000 7.304) 11.391 21.148 ( 0.116 0.000 -6.142) 6.143 21.213 ( -6.074 0.000 -5.452) 8.162 23.284 ( 7.698 0.000 1.932) 7.936 23.416 ( -5.391 0.000 -0.788) 5.448 24.262 ( 6.500 0.000 -3.907) 7.584 24.348 ( -1.695 0.000 -6.577) 6.792 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.000 21.307 15.219) 26.184 0.861 ( 0.000 25.137 18.960) 31.486 1.622 ( 0.000 41.551 38.202) 56.443 2.075 ( 0.000 9.460 -16.933) 19.397 2.172 ( 0.000 -3.391 -20.932) 21.205 2.407 ( 0.000 3.954 7.128) 8.151 2.561 ( 0.000 3.977 -0.418) 3.999 2.721 ( 0.000 4.051 5.646) 6.949 2.809 ( 0.000 11.700 4.289) 12.462 2.846 ( 0.000 4.201 10.369) 11.187 3.048 ( 0.000 3.879 -5.180) 6.472 3.111 ( 0.000 -3.253 2.368) 4.024 3.167 ( 0.000 6.237 -3.410) 7.108 3.288 ( 0.000 7.032 -1.685) 7.231 3.359 ( 0.000 0.677 1.990) 2.102 3.417 ( 0.000 10.380 -9.978) 14.399 3.430 ( 0.000 11.310 0.868) 11.343 3.708 ( 0.000 -1.432 4.635) 4.851 3.798 ( 0.000 1.295 -4.728) 4.902 4.195 ( 0.000 -5.243 -2.027) 5.621 4.316 ( 0.000 2.645 0.415) 2.677 4.698 ( 0.000 4.482 4.367) 6.258 4.742 ( 0.000 9.323 -0.679) 9.348 4.934 ( 0.000 17.065 -3.689) 17.460 4.983 ( 0.000 8.709 -1.583) 8.851 5.018 ( 0.000 21.161 -2.566) 21.316 5.118 ( 0.000 8.780 0.357) 8.787 5.128 ( 0.000 22.029 -0.812) 22.044 5.719 ( 0.000 3.346 -3.003) 4.496 5.733 ( 0.000 0.142 -0.414) 0.438 6.153 ( 0.000 -6.095 7.361) 9.557 6.181 ( 0.000 0.819 -1.184) 1.440 6.848 ( 0.000 1.873 2.568) 3.179 6.857 ( 0.000 -2.478 7.030) 7.454 6.986 ( 0.000 0.657 2.576) 2.658 7.142 ( 0.000 3.800 -6.828) 7.815 7.194 ( 0.000 -2.021 -3.446) 3.995 7.433 ( 0.000 -5.825 -12.529) 13.817 7.573 ( 0.000 2.316 13.237) 13.438 7.924 ( 0.000 -2.460 7.087) 7.502 8.418 ( 0.000 -1.704 2.030) 2.650 8.594 ( 0.000 0.302 -2.765) 2.781 8.852 ( 0.000 13.427 -2.494) 13.656 9.108 ( 0.000 16.774 -14.436) 22.130 9.204 ( 0.000 -7.663 7.700) 10.863 9.460 ( 0.000 -13.638 2.726) 13.908 9.879 ( 0.000 -3.179 -2.154) 3.840 9.935 ( 0.000 -8.891 -2.109) 9.138 10.203 ( 0.000 16.174 3.205) 16.488 10.447 ( 0.000 -1.332 -6.037) 6.182 10.596 ( 0.000 9.117 1.127) 9.187 10.605 ( 0.000 -4.549 5.289) 6.976 10.738 ( 0.000 3.286 3.192) 4.581 11.002 ( 0.000 -1.916 -4.283) 4.692 11.118 ( 0.000 -0.750 -5.023) 5.079 11.223 ( 0.000 -7.685 -0.164) 7.687 11.365 ( 0.000 7.582 4.068) 8.604 11.629 ( 0.000 -0.117 -3.947) 3.948 11.785 ( 0.000 27.005 -20.035) 33.625 11.920 ( 0.000 8.792 -9.852) 13.204 11.938 ( 0.000 -0.991 5.602) 5.689 12.100 ( 0.000 0.031 -5.844) 5.844 12.189 ( 0.000 1.198 2.267) 2.564 12.286 ( 0.000 2.402 -7.452) 7.830 12.391 ( 0.000 -11.333 8.011) 13.879 12.707 ( 0.000 -21.418 3.151) 21.648 13.052 ( 0.000 -28.615 3.212) 28.794 13.462 ( 0.000 -23.178 4.495) 23.610 13.677 ( 0.000 -11.406 -19.393) 22.498 14.034 ( 0.000 9.307 3.535) 9.956 14.059 ( 0.000 2.726 -17.271) 17.485 14.349 ( 0.000 6.182 -3.276) 6.996 14.862 ( 0.000 11.174 -0.689) 11.196 15.089 ( 0.000 22.423 -5.985) 23.208 15.642 ( 0.000 7.116 6.431) 9.592 15.732 ( 0.000 3.773 7.317) 8.233 15.776 ( 0.000 13.655 4.972) 14.532 16.142 ( 0.000 -1.423 -3.145) 3.452 16.245 ( 0.000 -0.115 -4.138) 4.140 16.474 ( 0.000 31.973 -31.318) 44.756 18.699 ( 0.000 -5.061 -0.850) 5.132 18.701 ( 0.000 -22.641 -0.450) 22.646 19.078 ( 0.000 -39.782 1.207) 39.800 19.180 ( 0.000 -38.597 0.974) 38.610 19.620 ( 0.000 -26.534 7.296) 27.519 20.060 ( 0.000 4.686 -4.467) 6.474 20.490 ( 0.000 -13.474 28.555) 31.574 20.613 ( 0.000 30.609 1.548) 30.648 20.988 ( 0.000 23.825 -1.840) 23.896 21.265 ( 0.000 3.541 -4.249) 5.531 21.296 ( 0.000 8.271 9.582) 12.658 21.446 ( 0.000 9.120 0.952) 9.170 23.044 ( 0.000 0.369 1.825) 1.862 23.360 ( 0.000 -3.925 -8.343) 9.220 23.691 ( 0.000 -6.252 9.209) 11.131 24.048 ( 0.000 -11.512 -0.312) 11.516 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 19.082 15.481 12.266) 27.463 1.112 ( 19.884 17.567 14.817) 30.389 1.859 ( 21.902 34.176 30.191) 50.589 2.079 ( -1.345 3.294 -17.693) 18.047 2.239 ( -11.743 5.798 7.008) 14.853 2.255 ( 5.564 4.904 -15.027) 16.757 2.540 ( -3.450 4.301 0.923) 5.591 2.605 ( -10.988 6.582 1.172) 12.862 2.740 ( 1.069 3.501 6.614) 7.559 2.872 ( -9.491 2.664 0.292) 9.862 2.919 ( -0.180 7.530 5.123) 9.109 3.034 ( -4.626 3.359 -2.812) 6.371 3.205 ( -2.204 4.425 2.691) 5.629 3.337 ( 4.228 3.220 1.839) 5.624 3.396 ( 4.641 8.863 -5.678) 11.503 3.432 ( 4.238 4.800 0.910) 6.467 3.567 ( 3.858 5.675 -5.519) 8.806 3.680 ( -0.471 2.714 3.555) 4.498 3.874 ( 5.062 -0.035 -7.140) 8.752 4.114 ( -10.453 -2.988 4.584) 11.799 4.327 ( 2.966 3.493 -4.263) 6.259 4.560 ( -9.368 1.859 0.458) 9.562 4.778 ( 3.375 8.777 1.467) 9.518 4.887 ( 0.287 24.926 -0.363) 24.930 4.934 ( -2.472 11.748 0.190) 12.007 5.049 ( -0.179 13.421 -3.395) 13.845 5.136 ( -0.392 19.417 -1.848) 19.509 5.194 ( 2.425 13.549 -1.993) 13.908 5.697 ( 1.622 2.650 -0.902) 3.235 5.868 ( 6.811 -2.682 -5.406) 9.100 6.097 ( -2.998 -2.219 7.579) 8.447 6.176 ( -1.299 -1.509 1.612) 2.561 6.794 ( 0.178 2.437 1.899) 3.094 6.922 ( 3.603 2.599 -0.169) 4.446 7.087 ( 2.604 -4.293 -1.909) 5.372 7.187 ( -0.407 -0.640 -2.523) 2.634 7.243 ( 10.109 -0.931 0.629) 10.171 7.532 ( 6.155 -3.457 -3.770) 8.003 7.605 ( 5.483 -1.184 5.160) 7.622 7.873 ( -6.032 -1.741 3.744) 7.310 8.282 ( -6.558 -4.280 3.427) 8.548 8.554 ( -4.250 -1.894 -3.264) 5.684 8.890 ( 3.785 15.519 -2.111) 16.113 9.044 ( -1.416 14.665 -4.668) 15.455 9.310 ( 1.079 -7.279 -0.600) 7.383 9.475 ( 1.038 -6.930 -2.512) 7.444 9.878 ( 0.123 -4.457 -1.496) 4.703 9.936 ( -0.196 -3.616 -0.960) 3.747 10.229 ( 2.632 10.925 3.725) 11.839 10.388 ( -5.442 -1.019 -0.772) 5.590 10.568 ( -1.999 4.100 3.219) 5.583 10.633 ( -1.119 4.729 2.459) 5.446 10.660 ( -1.555 5.020 4.431) 6.873 10.968 ( -4.573 -1.903 -2.409) 5.508 11.052 ( -3.080 -0.431 -4.805) 5.724 11.287 ( 1.292 6.866 1.334) 7.112 11.360 ( 2.504 -4.426 -0.566) 5.117 11.595 ( -2.795 -2.430 -3.891) 5.372 11.615 ( -15.067 24.414 -19.141) 34.488 11.736 ( -6.836 6.009 -1.406) 9.210 12.122 ( 4.528 0.298 2.520) 5.190 12.142 ( 5.033 1.281 1.781) 5.490 12.209 ( 4.960 -0.711 3.489) 6.106 12.309 ( 10.727 5.092 1.227) 11.937 12.528 ( 5.740 -16.639 -2.745) 17.814 12.708 ( -0.161 -21.890 2.785) 22.067 13.003 ( -4.334 -27.112 2.147) 27.540 13.343 ( -8.431 -26.223 -1.506) 27.586 13.756 ( -0.168 -5.130 -10.503) 11.690 13.958 ( -7.613 3.762 -1.242) 8.583 14.089 ( 6.616 0.669 -9.316) 11.446 14.352 ( -0.156 6.889 -4.302) 8.124 14.890 ( 2.176 13.165 -0.299) 13.347 15.043 ( -3.132 19.605 -0.403) 19.858 15.651 ( 0.618 12.168 4.577) 13.015 15.722 ( 1.076 2.418 9.384) 9.751 15.810 ( 1.504 12.061 4.118) 12.833 15.972 ( -11.629 14.558 0.662) 18.644 16.252 ( 0.784 -0.980 -4.098) 4.286 16.411 ( -4.025 8.531 -13.629) 16.575 18.725 ( 2.651 -5.835 -0.937) 6.478 18.777 ( 4.998 -19.823 -4.105) 20.852 19.077 ( -0.105 -39.521 0.756) 39.528 19.153 ( -2.533 -37.435 1.415) 37.548 19.626 ( 0.693 -25.782 7.875) 26.967 19.915 ( -11.786 -7.483 13.367) 19.328 20.493 ( 1.608 -0.850 14.944) 15.054 20.627 ( 1.175 29.960 2.475) 30.086 20.787 ( -9.032 33.825 -2.253) 35.082 21.129 ( -9.417 15.741 3.078) 18.599 21.223 ( -1.923 7.987 -3.038) 8.759 21.434 ( -5.274 9.012 -2.712) 10.788 23.106 ( 6.272 -1.799 2.909) 7.144 23.432 ( -0.389 -5.357 -5.214) 7.486 23.947 ( 16.083 -13.185 -3.462) 21.083 24.108 ( 5.262 -13.582 -1.330) 14.627 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 22.906 11.311 7.839) 26.721 1.533 ( 21.134 9.767 10.090) 25.374 1.825 ( -19.554 9.556 4.997) 22.331 1.956 ( -16.817 4.222 0.913) 17.363 2.270 ( 7.302 12.904 -1.511) 14.903 2.378 ( -1.490 11.621 3.082) 12.114 2.556 ( 6.824 2.211 -9.373) 11.803 2.572 ( 14.829 5.104 -3.378) 16.043 2.723 ( -2.063 3.223 5.192) 6.449 2.758 ( -4.560 4.458 3.030) 7.060 2.852 ( 3.687 9.854 0.661) 10.542 3.060 ( 4.402 5.043 7.939) 10.384 3.114 ( -5.953 4.893 5.314) 9.360 3.359 ( -19.833 10.196 4.939) 22.841 3.445 ( 4.100 3.834 1.102) 5.721 3.486 ( 1.856 6.279 -1.796) 6.789 3.509 ( 2.072 6.626 -0.301) 6.949 3.627 ( -8.167 1.407 -5.220) 9.794 3.921 ( 5.153 0.940 -5.006) 7.246 4.002 ( -1.029 -0.251 1.965) 2.232 4.411 ( 3.592 0.756 -5.514) 6.624 4.454 ( -2.195 -0.226 -3.792) 4.387 4.840 ( 2.285 10.433 1.112) 10.738 4.882 ( -2.217 11.041 0.626) 11.279 4.954 ( 5.576 21.743 0.062) 22.447 5.064 ( -0.003 13.854 -2.812) 14.136 5.073 ( -2.639 23.830 -1.117) 24.002 5.160 ( -5.019 16.562 -2.201) 17.445 5.776 ( 5.760 0.980 -0.448) 5.860 5.890 ( -4.482 -1.546 -1.787) 5.067 6.103 ( 3.239 -2.129 3.618) 5.302 6.152 ( -1.367 -3.703 2.273) 4.555 6.857 ( 5.568 3.116 -1.034) 6.464 6.958 ( -1.584 1.944 -4.060) 4.771 7.080 ( -0.857 -0.438 1.030) 1.409 7.134 ( -4.343 -0.779 1.208) 4.574 7.470 ( 11.940 0.508 1.868) 12.096 7.660 ( 2.771 -2.287 0.722) 3.664 7.697 ( -3.003 -1.033 1.436) 3.485 7.731 ( -0.217 -5.827 -2.181) 6.226 8.282 ( 5.214 -9.979 1.264) 11.330 8.427 ( -7.985 -6.971 -2.207) 10.827 8.995 ( 5.559 19.143 -1.433) 19.985 9.041 ( 0.227 15.843 -1.956) 15.965 9.284 ( -0.033 -5.355 -1.634) 5.599 9.394 ( -8.629 0.041 -5.270) 10.111 9.894 ( 1.264 -1.855 0.506) 2.301 9.920 ( -1.281 1.654 0.633) 2.185 10.286 ( 1.979 0.281 3.526) 4.053 10.306 ( -1.489 -2.549 3.595) 4.652 10.542 ( 0.935 9.165 3.567) 9.879 10.591 ( -2.672 9.279 3.075) 10.134 10.700 ( 3.867 2.016 0.345) 4.374 10.821 ( -8.132 1.440 -0.852) 8.303 11.061 ( 3.460 4.418 -4.888) 7.442 11.183 ( -8.353 14.677 -3.586) 17.264 11.464 ( 3.581 -2.244 -2.997) 5.181 11.479 ( 3.701 2.154 -2.460) 4.939 11.543 ( -3.063 -4.742 -3.081) 6.431 11.603 ( -6.544 1.043 -0.459) 6.643 12.168 ( 1.616 -0.544 3.749) 4.119 12.180 ( 0.465 -0.364 1.927) 2.015 12.429 ( 10.645 0.940 -1.204) 10.754 12.509 ( 4.620 2.446 -1.722) 5.504 12.633 ( 5.804 -16.075 0.147) 17.091 12.696 ( -1.109 -19.969 1.540) 20.059 12.931 ( 0.467 -26.053 -0.247) 26.059 13.117 ( -13.872 -22.500 -4.222) 26.768 13.728 ( 0.488 -4.951 0.414) 4.992 13.803 ( -6.627 -2.171 3.222) 7.682 14.241 ( 6.487 1.388 -9.069) 11.236 14.328 ( -2.497 5.624 -6.495) 8.947 14.938 ( 2.743 14.011 1.157) 14.324 14.992 ( -2.445 13.584 1.440) 13.877 15.682 ( 2.850 16.397 4.196) 17.163 15.751 ( -1.633 7.805 8.031) 11.317 15.799 ( -0.663 17.321 1.968) 17.445 15.831 ( -2.081 4.786 5.609) 7.661 16.280 ( 2.116 -2.518 -4.338) 5.444 16.336 ( -3.454 -1.792 -6.213) 7.331 18.791 ( 3.504 -7.786 -0.946) 8.590 18.833 ( 0.085 -13.461 -3.008) 13.793 19.077 ( 0.288 -38.875 0.010) 38.876 19.100 ( -2.155 -37.509 0.836) 37.580 19.652 ( 2.182 -23.089 9.951) 25.237 19.729 ( -6.148 -17.343 14.289) 23.297 20.568 ( 4.894 22.508 -0.403) 23.037 20.634 ( -1.330 33.875 0.430) 33.904 20.742 ( 3.619 18.070 0.299) 18.431 20.904 ( -11.475 8.328 -0.122) 14.179 21.228 ( 2.294 12.986 -2.424) 13.408 21.311 ( -5.816 11.881 -3.231) 13.617 23.248 ( 7.203 -3.314 1.816) 8.134 23.372 ( -4.928 -4.325 -0.832) 6.610 24.145 ( 5.457 -11.483 -3.395) 13.159 24.189 ( 1.197 -14.012 -3.433) 14.476 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 0.000 31.751 -3.619) 31.957 1.407 ( 0.000 28.689 10.730) 30.630 2.165 ( 0.000 3.488 -20.775) 21.066 2.304 ( 0.000 16.095 -12.325) 20.272 2.466 ( 0.000 39.459 24.696) 46.550 2.534 ( 0.000 8.696 3.752) 9.471 2.647 ( 0.000 4.862 0.227) 4.868 2.844 ( 0.000 8.111 5.930) 10.048 2.934 ( 0.000 4.946 11.433) 12.457 3.061 ( 0.000 10.931 2.875) 11.303 3.093 ( 0.000 1.272 1.737) 2.153 3.148 ( 0.000 5.774 -4.149) 7.110 3.321 ( 0.000 8.552 -3.338) 9.180 3.350 ( 0.000 0.430 6.442) 6.457 3.486 ( 0.000 10.587 0.478) 10.598 3.592 ( 0.000 6.470 -8.785) 10.910 3.643 ( 0.000 9.689 -3.139) 10.185 3.795 ( 0.000 9.094 3.704) 9.820 3.899 ( 0.000 8.952 -8.112) 12.080 4.130 ( 0.000 -0.237 7.631) 7.634 4.422 ( 0.000 7.637 -5.427) 9.369 4.774 ( 0.000 4.691 2.689) 5.407 4.860 ( 0.000 5.555 -7.056) 8.981 5.030 ( 0.000 -0.001 -2.414) 2.414 5.426 ( 0.000 23.924 -0.281) 23.926 5.463 ( 0.000 17.852 -2.697) 18.055 5.557 ( 0.000 31.214 3.145) 31.372 5.675 ( 0.000 28.169 -0.560) 28.174 5.752 ( 0.000 5.309 3.010) 6.103 5.816 ( 0.000 6.426 -1.977) 6.723 6.180 ( 0.000 9.825 1.358) 9.919 6.262 ( 0.000 10.289 -2.843) 10.675 6.893 ( 0.000 2.448 1.912) 3.106 6.896 ( 0.000 4.530 2.781) 5.315 7.022 ( 0.000 3.358 0.704) 3.431 7.131 ( 0.000 -3.012 -3.404) 4.545 7.253 ( 0.000 6.632 -7.772) 10.217 7.326 ( 0.000 -4.053 -11.696) 12.378 7.674 ( 0.000 7.966 9.141) 12.125 7.870 ( 0.000 -3.022 6.623) 7.280 8.406 ( 0.000 1.188 3.156) 3.372 8.623 ( 0.000 2.136 -3.088) 3.755 9.056 ( 0.000 -3.507 7.083) 7.904 9.136 ( 0.000 11.351 -0.869) 11.384 9.137 ( 0.000 -10.048 1.929) 10.231 9.384 ( 0.000 4.848 -4.799) 6.822 9.687 ( 0.000 -12.408 2.080) 12.581 9.863 ( 0.000 2.009 -5.250) 5.622 10.352 ( 0.000 -7.980 -6.350) 10.198 10.359 ( 0.000 -2.888 1.613) 3.308 10.605 ( 0.000 -0.778 5.848) 5.900 10.770 ( 0.000 -0.403 4.841) 4.858 10.906 ( 0.000 8.996 -5.548) 10.569 10.988 ( 0.000 7.665 1.734) 7.859 11.037 ( 0.000 -4.235 8.120) 9.158 11.176 ( 0.000 5.834 -9.085) 10.797 11.373 ( 0.000 -8.456 -8.016) 11.651 11.756 ( 0.000 0.410 6.181) 6.194 11.789 ( 0.000 -13.517 8.873) 16.169 11.864 ( 0.000 -26.092 -11.422) 28.483 11.980 ( 0.000 -12.547 -0.016) 12.547 12.084 ( 0.000 -7.562 4.893) 9.007 12.084 ( 0.000 3.863 -0.013) 3.863 12.217 ( 0.000 1.371 1.911) 2.352 12.231 ( 0.000 9.063 0.441) 9.073 12.271 ( 0.000 -12.726 3.083) 13.094 12.593 ( 0.000 -14.087 4.681) 14.844 13.169 ( 0.000 -6.010 4.482) 7.497 13.521 ( 0.000 -6.247 -24.455) 25.240 14.129 ( 0.000 1.243 2.468) 2.763 14.203 ( 0.000 6.758 -21.779) 22.803 14.392 ( 0.000 -1.245 -3.811) 4.009 15.133 ( 0.000 15.498 -4.416) 16.115 15.432 ( 0.000 10.109 -7.862) 12.807 15.727 ( 0.000 -0.111 5.107) 5.108 15.777 ( 0.000 6.501 9.007) 11.108 15.950 ( 0.000 -0.893 2.520) 2.673 16.182 ( 0.000 6.782 -1.978) 7.064 16.336 ( 0.000 12.019 0.830) 12.047 16.955 ( 0.000 15.068 -25.883) 29.950 18.220 ( 0.000 -23.920 0.875) 23.936 18.327 ( 0.000 -35.836 0.426) 35.839 18.394 ( 0.000 -26.579 -9.214) 28.131 18.538 ( 0.000 -31.201 -9.536) 32.625 19.222 ( 0.000 -9.453 16.641) 19.138 20.057 ( 0.000 -21.429 45.759) 50.528 20.107 ( 0.000 -0.021 -8.890) 8.890 20.946 ( 0.000 0.830 -0.721) 1.099 21.393 ( 0.000 15.518 -0.825) 15.540 21.433 ( 0.000 16.513 -1.235) 16.559 21.657 ( 0.000 21.734 1.405) 21.780 21.710 ( 0.000 14.656 -0.165) 14.657 23.066 ( 0.000 1.622 0.348) 1.659 23.260 ( 0.000 -5.786 -6.333) 8.579 23.522 ( 0.000 -10.391 7.184) 12.633 23.788 ( 0.000 -14.953 -1.118) 14.995 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 10.245 26.281 0.448) 28.211 1.542 ( 11.123 24.567 8.085) 28.154 2.168 ( -0.328 6.561 -16.043) 17.336 2.386 ( 7.113 12.567 -12.161) 18.878 2.397 ( -12.078 10.732 2.013) 16.281 2.605 ( 8.093 25.165 12.223) 29.123 2.647 ( 2.825 13.700 6.082) 15.253 2.729 ( -13.367 6.285 5.595) 15.795 2.856 ( -0.461 7.189 4.539) 8.515 2.963 ( -5.963 6.640 0.167) 8.926 3.071 ( 2.080 6.325 7.621) 10.120 3.160 ( -6.656 9.995 -2.601) 12.287 3.297 ( 1.618 4.380 2.421) 5.260 3.423 ( 2.149 4.979 -0.328) 5.433 3.563 ( 6.370 8.921 1.691) 11.092 3.594 ( 4.180 8.028 -4.541) 10.127 3.697 ( -0.618 8.186 -2.017) 8.453 3.780 ( 0.226 7.554 2.225) 7.878 3.952 ( 3.412 7.565 -6.362) 10.457 4.100 ( -3.643 1.845 9.243) 10.105 4.444 ( 2.326 8.074 -6.994) 10.932 4.655 ( -9.026 7.679 -1.891) 12.001 4.895 ( 2.794 4.589 -1.916) 5.704 5.019 ( -1.153 1.133 -2.379) 2.877 5.430 ( 1.759 24.937 -0.435) 25.003 5.496 ( 2.623 23.537 -2.663) 23.832 5.618 ( 4.426 26.254 1.876) 26.691 5.661 ( -1.898 26.018 -0.224) 26.088 5.786 ( 2.742 8.645 0.701) 9.097 5.854 ( 3.293 3.499 -3.594) 6.000 6.124 ( -4.633 8.022 2.218) 9.526 6.208 ( -4.970 8.065 -0.801) 9.507 6.863 ( 1.743 4.366 1.612) 4.970 6.996 ( 3.862 4.802 -0.420) 6.177 7.067 ( 2.452 1.868 0.078) 3.084 7.137 ( 1.448 -2.680 0.062) 3.047 7.297 ( 6.104 4.078 -5.246) 9.023 7.433 ( 8.163 -3.798 -8.671) 12.500 7.654 ( -0.959 4.572 5.647) 7.328 7.844 ( -3.725 -0.910 3.413) 5.134 8.242 ( -10.237 0.357 4.755) 11.293 8.532 ( -8.650 -0.685 -2.493) 9.028 9.125 ( 2.951 -2.322 2.547) 4.538 9.159 ( 1.451 -6.653 0.563) 6.833 9.195 ( 6.114 13.389 -0.180) 14.720 9.450 ( 5.556 2.859 -4.526) 7.716 9.707 ( 2.578 -9.223 1.821) 9.749 9.898 ( 2.349 0.909 -3.323) 4.170 10.284 ( -4.124 -5.200 1.368) 6.777 10.365 ( -2.421 -4.816 -0.192) 5.394 10.629 ( 2.224 1.541 5.732) 6.339 10.736 ( -1.506 1.937 2.701) 3.650 10.872 ( -3.815 1.785 -1.570) 4.495 10.950 ( -2.709 9.464 2.957) 10.279 11.079 ( 4.248 -0.518 0.916) 4.377 11.219 ( 4.177 2.451 -6.667) 8.240 11.402 ( 1.607 -1.864 -6.510) 6.960 11.629 ( -10.388 0.726 3.565) 11.007 11.731 ( -6.007 -2.477 0.819) 6.550 11.797 ( -7.352 -16.328 -5.540) 18.744 11.950 ( -0.058 -20.973 1.721) 21.044 12.041 ( -0.623 -16.243 2.787) 16.493 12.074 ( -0.507 -9.403 3.060) 9.901 12.241 ( 3.464 -0.230 -0.092) 3.473 12.295 ( 4.200 -8.009 2.583) 9.405 12.463 ( 11.437 8.621 0.160) 14.323 12.583 ( -0.506 -10.493 4.696) 11.507 12.982 ( -11.163 -7.471 -0.718) 13.451 13.645 ( 4.965 -5.411 -15.883) 17.499 14.010 ( -9.375 -0.272 0.693) 9.405 14.194 ( 0.204 7.290 -19.299) 20.631 14.412 ( 0.556 -0.698 -5.298) 5.372 15.161 ( 2.506 14.512 -2.644) 14.962 15.382 ( -4.327 11.201 -3.934) 12.636 15.747 ( 1.759 0.650 5.181) 5.510 15.794 ( 1.318 5.589 8.450) 10.216 15.979 ( 3.396 2.032 1.846) 4.367 16.196 ( 1.395 7.676 -1.529) 7.950 16.319 ( -1.684 11.517 0.380) 11.645 16.715 ( -18.979 16.707 -12.630) 28.264 18.268 ( 3.137 -28.874 -0.416) 29.047 18.328 ( 0.070 -35.861 0.116) 35.861 18.423 ( 2.514 -24.983 -10.167) 27.089 18.531 ( -0.684 -30.338 -9.557) 31.815 19.246 ( 2.451 -9.036 17.466) 19.817 19.727 ( -16.124 -9.909 28.994) 34.624 20.393 ( 13.538 -6.746 1.839) 15.237 20.946 ( -0.693 -2.059 -1.771) 2.803 21.313 ( -5.417 20.091 -0.853) 20.826 21.345 ( -7.490 19.456 -1.571) 20.907 21.639 ( -1.297 22.506 0.884) 22.560 21.695 ( -2.252 14.907 -0.559) 15.087 23.081 ( 3.073 -0.538 1.750) 3.577 23.300 ( 0.173 -7.482 -4.183) 8.574 23.659 ( 11.465 -14.449 2.542) 18.619 23.828 ( 3.345 -15.436 -1.131) 15.834 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 18.429 17.820 2.348) 25.743 1.794 ( 13.334 17.010 5.701) 22.352 2.067 ( -12.279 13.185 -0.589) 18.027 2.086 ( -16.757 9.936 1.669) 19.552 2.527 ( -1.005 10.022 -3.071) 10.530 2.557 ( 4.715 8.182 -9.116) 13.125 2.597 ( 0.820 4.534 -10.795) 11.737 2.757 ( -6.269 7.775 -6.214) 11.763 2.864 ( 2.735 12.382 8.861) 15.470 2.902 ( -2.501 10.077 3.762) 11.043 3.087 ( 5.117 10.438 8.189) 14.219 3.180 ( 0.953 7.100 9.515) 11.911 3.307 ( 9.182 15.936 0.985) 18.419 3.507 ( 5.352 4.972 2.189) 7.627 3.619 ( -6.966 9.178 5.867) 12.929 3.630 ( -6.340 9.697 1.143) 11.642 3.676 ( 3.080 8.504 -2.273) 9.326 3.716 ( -4.060 9.998 -1.760) 10.933 3.986 ( 1.672 5.752 1.164) 6.102 4.032 ( -2.046 3.700 5.199) 6.701 4.496 ( 2.077 7.350 -7.746) 10.879 4.530 ( -2.747 7.651 -5.627) 9.887 4.951 ( 2.455 3.920 -1.113) 4.758 4.989 ( -1.605 3.063 -1.663) 3.837 5.493 ( 4.161 26.768 -0.459) 27.093 5.558 ( 1.239 30.279 -1.965) 30.368 5.609 ( -0.882 22.595 -1.168) 22.642 5.662 ( -1.445 27.516 -1.742) 27.609 5.846 ( 3.503 10.112 -2.724) 11.043 5.896 ( -0.181 4.917 -3.852) 6.248 6.060 ( -0.676 0.383 4.310) 4.380 6.101 ( -4.593 2.884 2.709) 6.063 6.943 ( 5.477 5.489 0.313) 7.760 7.028 ( -1.266 5.281 -1.912) 5.757 7.092 ( 0.872 1.806 1.684) 2.619 7.130 ( -2.099 0.769 2.031) 3.020 7.492 ( 11.219 1.294 -1.473) 11.389 7.577 ( 5.120 -4.531 -3.770) 7.807 7.644 ( -0.857 -1.821 0.281) 2.032 7.707 ( -8.837 1.273 -0.015) 8.928 8.167 ( 3.461 -2.253 2.271) 4.713 8.328 ( -10.734 -3.543 -1.640) 11.422 9.158 ( 1.018 -0.624 0.004) 1.194 9.171 ( -0.165 -3.523 -0.123) 3.529 9.346 ( 8.487 13.403 -3.125) 16.169 9.485 ( -3.665 6.437 -6.202) 9.661 9.815 ( 7.045 -3.230 2.942) 8.290 9.907 ( -1.893 -1.677 -0.582) 2.596 10.222 ( -0.902 -5.844 5.068) 7.788 10.275 ( -5.225 -1.771 7.582) 9.377 10.664 ( 1.955 -0.010 4.259) 4.686 10.728 ( -3.125 -2.258 3.765) 5.389 10.825 ( 2.846 6.853 -1.652) 7.602 10.898 ( -2.919 12.832 0.740) 13.180 11.200 ( 7.510 -0.151 -2.685) 7.977 11.302 ( 1.583 2.318 -6.735) 7.297 11.422 ( -0.243 -0.531 -3.633) 3.680 11.437 ( -5.907 0.376 2.118) 6.286 11.584 ( -4.915 0.702 -5.496) 7.406 11.636 ( -7.600 -4.402 0.045) 8.783 11.992 ( 2.608 -25.091 1.972) 25.303 12.030 ( -1.210 -25.165 3.430) 25.427 12.122 ( 5.114 -14.920 1.389) 15.834 12.225 ( -3.886 -9.210 -0.635) 10.017 12.407 ( 5.505 -8.010 2.899) 10.142 12.509 ( -4.304 -8.845 5.824) 11.431 12.702 ( 9.338 7.860 -4.381) 12.968 12.838 ( -4.715 -1.701 -2.534) 5.616 13.674 ( 1.505 -1.431 -6.542) 6.864 13.798 ( -10.391 0.599 -2.479) 10.699 14.271 ( 6.277 1.783 -13.413) 14.916 14.380 ( -3.844 -0.046 -9.545) 10.291 15.219 ( 3.179 13.563 0.380) 13.936 15.291 ( -4.246 12.945 0.716) 13.643 15.787 ( 1.895 1.863 5.299) 5.928 15.809 ( -0.141 2.977 6.308) 6.977 16.102 ( 9.000 8.846 1.306) 12.686 16.236 ( 2.560 11.205 -0.040) 11.494 16.270 ( -3.750 9.074 -1.093) 9.878 16.366 ( -14.017 11.942 -1.048) 18.444 18.313 ( 1.362 -33.865 -0.576) 33.898 18.327 ( -0.251 -35.511 -0.347) 35.514 18.474 ( 2.295 -25.322 -10.158) 27.380 18.510 ( -1.415 -27.972 -9.670) 29.630 19.323 ( 5.419 -8.193 20.191) 22.454 19.471 ( -9.825 -7.999 24.967) 27.997 20.646 ( 12.283 -5.014 -4.924) 14.151 20.865 ( -8.471 -6.825 -5.391) 12.141 21.222 ( -2.171 24.922 -0.327) 25.019 21.237 ( -2.818 23.110 -0.210) 23.282 21.619 ( -0.313 21.324 0.299) 21.328 21.640 ( -2.384 18.251 -0.228) 18.407 23.171 ( 5.124 -4.049 1.346) 6.668 23.261 ( -3.561 -6.464 -0.706) 7.414 23.843 ( 5.671 -17.196 -0.948) 18.132 23.882 ( 1.166 -16.570 -1.212) 16.655 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.000 27.788 -5.614) 28.350 1.959 ( 0.000 26.770 6.463) 27.539 2.314 ( 0.000 11.027 -16.509) 19.853 2.593 ( 0.000 12.552 -10.122) 16.125 2.739 ( 0.000 12.294 -0.573) 12.307 2.759 ( 0.000 6.528 2.040) 6.839 3.022 ( 0.000 8.762 6.098) 10.675 3.044 ( 0.000 6.015 10.992) 12.530 3.101 ( 0.000 0.495 3.939) 3.970 3.166 ( 0.000 3.074 4.616) 5.546 3.228 ( 0.000 34.118 16.822) 38.039 3.267 ( 0.000 5.937 -4.586) 7.502 3.449 ( 0.000 3.507 -2.847) 4.517 3.462 ( 0.000 8.723 2.898) 9.192 3.653 ( 0.000 6.444 -8.646) 10.783 3.681 ( 0.000 3.102 -0.545) 3.150 3.839 ( 0.000 11.152 -3.723) 11.757 3.998 ( 0.000 10.379 4.872) 11.466 4.086 ( 0.000 8.578 -1.796) 8.765 4.215 ( 0.000 8.469 13.256) 15.730 4.606 ( 0.000 10.546 -8.844) 13.764 4.909 ( 0.000 9.170 -2.635) 9.541 4.975 ( 0.000 4.911 -7.362) 8.849 5.037 ( 0.000 2.001 -3.251) 3.818 5.629 ( 0.000 2.453 -1.374) 2.812 5.720 ( 0.000 7.511 -4.781) 8.904 5.752 ( 0.000 -1.270 4.326) 4.508 5.884 ( 0.000 2.091 1.259) 2.441 6.257 ( 0.000 34.011 1.918) 34.065 6.307 ( 0.000 28.321 0.632) 28.328 6.595 ( 0.000 29.353 -0.096) 29.354 6.643 ( 0.000 24.698 -0.686) 24.708 6.940 ( 0.000 2.514 1.348) 2.852 7.007 ( 0.000 6.526 0.811) 6.576 7.118 ( 0.000 3.152 -0.310) 3.167 7.138 ( 0.000 9.037 0.052) 9.037 7.293 ( 0.000 0.969 -10.701) 10.745 7.408 ( 0.000 9.213 -9.815) 13.462 7.805 ( 0.000 -3.273 9.338) 9.895 7.870 ( 0.000 11.232 2.720) 11.557 8.480 ( 0.000 6.368 4.626) 7.871 8.659 ( 0.000 1.502 -3.691) 3.985 8.955 ( 0.000 -6.804 3.976) 7.880 9.029 ( 0.000 2.448 6.219) 6.683 9.312 ( 0.000 4.165 -2.625) 4.924 9.469 ( 0.000 3.710 -4.260) 5.649 9.568 ( 0.000 2.116 8.148) 8.418 9.945 ( 0.000 5.305 -5.653) 7.752 10.141 ( 0.000 -14.938 -2.068) 15.080 10.243 ( 0.000 -5.951 2.055) 6.296 10.497 ( 0.000 -8.526 -0.427) 8.537 10.672 ( 0.000 -9.823 4.669) 10.876 10.710 ( 0.000 -21.165 -3.925) 21.526 10.871 ( 0.000 -20.670 10.121) 23.015 11.061 ( 0.000 -31.545 -2.366) 31.634 11.147 ( 0.000 -3.960 3.713) 5.428 11.227 ( 0.000 -3.024 -9.559) 10.026 11.342 ( 0.000 -5.628 -6.186) 8.363 11.400 ( 0.000 -18.861 8.652) 20.751 11.625 ( 0.000 -3.176 9.174) 9.709 11.847 ( 0.000 4.897 -2.974) 5.729 12.021 ( 0.000 0.352 8.078) 8.086 12.240 ( 0.000 3.047 -0.509) 3.089 12.296 ( 0.000 8.040 -0.711) 8.072 12.347 ( 0.000 8.727 0.581) 8.746 12.467 ( 0.000 13.088 -4.122) 13.722 12.523 ( 0.000 9.543 9.370) 13.374 13.156 ( 0.000 3.120 4.035) 5.101 13.388 ( 0.000 -7.330 -20.698) 21.958 14.122 ( 0.000 -1.158 1.835) 2.170 14.238 ( 0.000 -3.330 -5.233) 6.202 14.349 ( 0.000 -2.291 -13.737) 13.927 15.399 ( 0.000 9.339 -5.615) 10.897 15.468 ( 0.000 -5.197 -5.102) 7.283 15.748 ( 0.000 4.885 -7.280) 8.768 15.844 ( 0.000 -8.151 -2.206) 8.444 15.950 ( 0.000 9.137 7.557) 11.857 16.339 ( 0.000 8.015 -3.899) 8.913 16.621 ( 0.000 13.193 5.228) 14.191 17.087 ( 0.000 -2.656 -10.461) 10.792 17.685 ( 0.000 -28.080 -0.499) 28.085 17.808 ( 0.000 -31.167 -9.331) 32.534 17.820 ( 0.000 -15.908 0.427) 15.914 17.853 ( 0.000 -33.832 -2.570) 33.930 19.185 ( 0.000 2.593 12.095) 12.370 19.739 ( 0.000 -10.732 38.591) 40.055 20.072 ( 0.000 -3.240 -10.276) 10.774 20.824 ( 0.000 -10.047 -3.087) 10.511 21.620 ( 0.000 8.167 0.735) 8.200 21.750 ( 0.000 12.739 -2.704) 13.023 21.961 ( 0.000 10.336 1.688) 10.473 22.049 ( 0.000 17.061 -0.766) 17.079 23.099 ( 0.000 1.481 -0.317) 1.515 23.145 ( 0.000 -5.949 -2.482) 6.446 23.306 ( 0.000 -10.587 3.967) 11.306 23.471 ( 0.000 -16.666 -1.063) 16.700 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 2.586 24.989 -0.888) 25.138 2.032 ( 5.975 24.105 3.396) 25.065 2.345 ( 1.853 11.049 -12.767) 16.986 2.587 ( -1.204 9.294 -8.906) 12.928 2.647 ( -10.327 11.376 0.104) 15.365 2.753 ( -1.658 6.550 -0.328) 6.765 2.836 ( -7.225 7.347 4.076) 11.081 2.993 ( -3.256 6.703 2.388) 7.825 3.107 ( -1.115 9.068 2.263) 9.412 3.165 ( 1.449 7.744 4.579) 9.113 3.267 ( -2.420 19.894 5.681) 20.830 3.343 ( -1.621 5.667 4.033) 7.142 3.416 ( 7.928 8.907 3.887) 12.542 3.541 ( 3.928 10.859 -1.531) 11.649 3.689 ( 4.963 3.816 -6.354) 8.920 3.753 ( 7.621 8.561 4.384) 12.271 3.888 ( -1.767 11.024 -0.619) 11.182 3.966 ( 0.406 9.604 4.426) 10.582 4.103 ( 1.200 6.478 -1.123) 6.683 4.204 ( -1.158 9.112 11.985) 15.100 4.628 ( 1.896 9.828 -8.758) 13.300 4.849 ( -5.912 11.436 -4.635) 13.683 4.992 ( 1.704 5.258 -5.224) 7.605 5.040 ( 0.496 1.675 -2.904) 3.389 5.661 ( 2.721 0.775 -1.952) 3.437 5.730 ( 1.258 6.436 -4.012) 7.688 5.774 ( 1.807 -2.821 2.100) 3.953 5.874 ( -0.917 1.766 0.591) 2.076 6.268 ( 1.151 33.749 2.286) 33.846 6.338 ( 2.836 28.901 0.192) 29.041 6.528 ( -5.562 28.174 0.395) 28.720 6.600 ( -4.310 28.454 -0.987) 28.796 6.960 ( 3.641 5.541 1.864) 6.887 7.108 ( 5.666 6.109 -0.266) 8.336 7.129 ( 2.152 3.021 0.190) 3.714 7.154 ( 1.218 7.451 0.523) 7.568 7.338 ( 4.356 0.801 -6.355) 7.746 7.468 ( 5.435 7.059 -8.888) 12.584 7.717 ( -5.601 0.341 5.681) 7.985 7.883 ( -1.756 6.383 1.390) 6.765 8.312 ( -10.850 7.035 5.018) 13.870 8.524 ( -11.580 0.234 -0.636) 11.600 9.032 ( 5.341 -4.170 0.508) 6.795 9.110 ( 3.900 0.977 1.583) 4.321 9.379 ( 6.259 3.463 -1.707) 7.354 9.508 ( 3.899 3.742 -1.727) 5.674 9.646 ( 7.690 3.813 6.341) 10.671 9.937 ( -1.162 1.366 -3.798) 4.200 10.158 ( -4.793 -10.892 2.850) 12.236 10.193 ( 2.091 -7.176 1.433) 7.611 10.579 ( 6.016 -8.260 -0.032) 10.218 10.640 ( -3.659 -11.367 1.354) 12.018 10.722 ( 1.622 -16.537 -1.115) 16.654 10.881 ( 2.880 -15.132 3.999) 15.914 11.054 ( -1.214 -23.858 -2.977) 24.074 11.149 ( 2.023 -6.520 3.756) 7.792 11.241 ( -0.487 -18.412 -0.025) 18.418 11.370 ( 0.441 -10.105 2.412) 10.398 11.407 ( 2.232 -6.727 -1.571) 7.260 11.582 ( -3.424 -5.102 7.739) 9.882 11.799 ( -7.077 2.257 -4.076) 8.473 11.898 ( -8.192 6.858 3.871) 11.363 12.025 ( -10.750 0.442 -1.645) 10.884 12.314 ( -2.150 4.597 -1.317) 5.243 12.381 ( 3.921 8.905 1.854) 9.905 12.540 ( 0.967 8.263 10.367) 13.293 12.679 ( 12.406 10.547 -3.751) 16.710 12.964 ( -10.206 3.017 -1.956) 10.821 13.543 ( 7.908 -4.942 -12.788) 15.826 13.967 ( -10.116 -3.059 3.349) 11.086 14.294 ( 0.836 1.922 -16.233) 16.368 14.358 ( 1.228 -3.798 -6.795) 7.881 15.397 ( 0.112 6.847 -4.779) 8.351 15.460 ( -0.767 -1.525 -2.652) 3.154 15.781 ( 2.736 4.276 -7.155) 8.773 15.840 ( 0.136 -4.493 -2.645) 5.216 16.016 ( 5.966 6.203 6.539) 10.808 16.340 ( -0.079 7.311 -3.442) 8.081 16.607 ( -1.184 13.461 4.784) 14.335 16.943 ( -13.017 4.611 -5.928) 15.028 17.678 ( -0.664 -29.719 -0.439) 29.729 17.706 ( -3.903 -27.655 -1.666) 27.979 17.857 ( 1.753 -34.164 -0.741) 34.216 17.920 ( 2.639 -22.988 -6.346) 23.993 19.207 ( 2.227 2.282 13.081) 13.464 19.575 ( -10.722 -4.936 28.169) 30.542 20.254 ( 12.751 -7.233 -5.043) 15.503 20.795 ( -3.156 -10.513 -4.170) 11.742 21.605 ( -1.140 10.191 0.465) 10.265 21.697 ( -4.394 14.059 -2.157) 14.887 21.954 ( -0.593 10.559 1.522) 10.685 22.029 ( -1.887 16.466 -0.580) 16.584 23.081 ( -0.062 0.273 0.475) 0.551 23.152 ( -0.330 -7.334 -1.437) 7.480 23.396 ( 7.172 -11.848 1.940) 13.984 23.507 ( 2.935 -16.537 -0.901) 16.820 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 9.858 16.626 2.956) 19.554 2.178 ( 8.229 20.194 1.345) 21.848 2.261 ( -11.292 9.247 1.583) 14.681 2.376 ( -11.379 15.256 0.998) 19.058 2.640 ( 6.351 6.116 -12.355) 15.178 2.738 ( -0.878 8.517 -4.836) 9.834 2.792 ( 0.222 12.523 -3.568) 13.023 2.881 ( -7.422 5.883 -6.482) 11.477 3.105 ( 0.710 11.538 3.553) 12.094 3.143 ( -3.642 12.621 2.119) 13.306 3.224 ( 3.297 5.534 3.050) 7.127 3.306 ( -4.069 5.349 1.688) 6.930 3.584 ( 8.105 3.514 5.176) 10.238 3.698 ( 7.054 16.250 7.565) 19.263 3.751 ( -1.086 7.595 4.725) 9.010 3.820 ( 1.511 9.982 -3.164) 10.580 3.887 ( 2.965 12.522 2.124) 13.043 3.949 ( -3.732 11.550 3.457) 12.621 4.130 ( 1.421 7.704 3.210) 8.466 4.168 ( -2.246 10.059 8.439) 13.321 4.666 ( 1.911 8.864 -7.760) 11.934 4.726 ( -4.917 11.337 -6.040) 13.754 5.031 ( 1.739 4.546 -3.950) 6.268 5.048 ( 0.009 3.230 -3.363) 4.663 5.715 ( 2.570 -2.356 -2.688) 4.403 5.751 ( -0.358 -0.022 -4.125) 4.140 5.815 ( 2.406 -1.138 -0.052) 2.662 5.852 ( -1.244 2.048 -0.805) 2.528 6.311 ( 3.474 32.621 2.507) 32.901 6.406 ( 0.147 32.005 0.171) 32.006 6.409 ( -2.185 29.064 0.935) 29.161 6.497 ( -5.251 31.423 -0.789) 31.869 7.068 ( 6.024 7.077 2.136) 9.535 7.149 ( -0.751 6.018 0.623) 6.097 7.166 ( 1.057 6.554 1.227) 6.751 7.186 ( 0.318 5.857 0.529) 5.889 7.463 ( 7.130 -2.555 -1.944) 7.819 7.565 ( -0.348 0.066 -2.146) 2.175 7.647 ( 2.555 4.210 -0.609) 4.962 7.781 ( -7.485 6.706 -1.516) 10.164 8.190 ( -0.245 4.874 2.313) 5.400 8.295 ( -9.788 0.942 -0.224) 9.836 9.111 ( 2.618 -1.968 -1.809) 3.741 9.141 ( -0.355 -0.324 -1.753) 1.818 9.520 ( 6.794 3.014 -1.489) 7.580 9.583 ( 1.670 4.866 -1.541) 5.371 9.803 ( 5.263 0.659 1.853) 5.619 9.889 ( -3.792 -0.469 -2.360) 4.491 10.103 ( 3.111 -5.928 8.105) 10.513 10.206 ( -3.014 -5.680 8.095) 10.338 10.560 ( -1.722 -11.725 1.594) 11.958 10.595 ( -3.849 -10.281 3.889) 11.647 10.862 ( 10.154 -9.794 -5.558) 15.164 10.977 ( 0.766 -16.731 -4.226) 17.274 11.047 ( 5.601 -9.995 0.469) 11.467 11.205 ( 3.361 -18.128 3.949) 18.855 11.228 ( -3.965 -10.552 3.974) 11.952 11.282 ( -6.192 -11.755 5.177) 14.259 11.469 ( 2.639 -0.290 -2.365) 3.555 11.530 ( -1.915 -13.558 2.273) 13.880 11.629 ( -5.574 -1.128 -1.289) 5.832 11.680 ( -9.803 -2.527 3.565) 10.733 12.024 ( 7.082 4.297 -5.056) 9.704 12.202 ( -8.827 5.112 -5.906) 11.787 12.445 ( 2.728 6.672 4.419) 8.455 12.506 ( -3.470 6.265 8.784) 11.333 12.860 ( 5.089 8.240 -3.655) 10.352 12.893 ( 1.021 4.863 -0.472) 4.991 13.648 ( 4.457 -1.623 -6.995) 8.452 13.779 ( -8.545 -2.356 -0.634) 8.886 14.311 ( 1.958 1.705 -15.280) 15.499 14.356 ( -1.739 -1.807 -10.037) 10.345 15.411 ( 1.246 4.272 -1.980) 4.870 15.439 ( -1.356 2.445 -0.691) 2.880 15.832 ( 1.883 2.728 -6.322) 7.138 15.848 ( 0.188 -0.412 -4.869) 4.890 16.168 ( 8.791 4.101 4.052) 10.513 16.312 ( -4.025 4.603 -1.396) 6.272 16.590 ( 0.299 14.306 4.150) 14.898 16.681 ( -10.209 12.871 2.483) 16.615 17.663 ( -0.540 -31.691 -0.357) 31.697 17.666 ( -0.668 -31.607 -0.233) 31.615 17.899 ( 2.227 -30.289 -2.054) 30.440 17.934 ( -0.908 -26.232 -4.227) 26.585 19.274 ( 4.599 1.297 15.986) 16.685 19.393 ( -7.498 -0.763 20.967) 22.281 20.497 ( 11.258 -9.143 -6.615) 15.940 20.689 ( -7.696 -10.484 -6.347) 14.472 21.590 ( 0.049 13.239 0.188) 13.241 21.618 ( -2.894 14.922 -0.595) 15.211 21.951 ( 0.648 12.395 0.798) 12.438 21.983 ( -2.367 14.799 -0.073) 14.987 23.101 ( 1.701 -2.894 0.531) 3.399 23.134 ( -1.363 -6.035 -0.230) 6.191 23.520 ( 4.263 -15.003 0.231) 15.599 23.552 ( 0.825 -16.284 -0.492) 16.313 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 0.000 20.621 -3.659) 20.943 2.443 ( 0.000 21.445 3.910) 21.798 2.562 ( 0.000 13.325 -11.180) 17.394 2.759 ( 0.000 3.986 -4.963) 6.365 2.901 ( 0.000 7.695 1.834) 7.911 2.988 ( 0.000 6.044 1.747) 6.291 3.037 ( 0.000 4.608 0.744) 4.667 3.143 ( 0.000 2.546 10.698) 10.996 3.201 ( 0.000 5.061 4.501) 6.773 3.275 ( 0.000 8.695 3.519) 9.381 3.354 ( 0.000 2.849 -6.470) 7.069 3.495 ( 0.000 2.484 -1.390) 2.846 3.598 ( 0.000 4.888 0.204) 4.892 3.673 ( 0.000 0.500 -5.982) 6.002 3.826 ( 0.000 7.299 4.159) 8.401 3.851 ( 0.000 26.651 9.722) 28.369 4.089 ( 0.000 13.788 -0.698) 13.806 4.187 ( 0.000 8.942 4.258) 9.904 4.206 ( 0.000 4.641 0.552) 4.674 4.431 ( 0.000 12.191 11.410) 16.698 4.809 ( 0.000 9.462 -7.368) 11.992 5.019 ( 0.000 1.439 -3.536) 3.817 5.115 ( 0.000 10.478 -7.305) 12.773 5.139 ( 0.000 6.365 -6.190) 8.879 5.667 ( 0.000 2.398 0.766) 2.517 5.716 ( 0.000 -0.763 3.126) 3.218 5.751 ( 0.000 -3.463 -2.712) 4.398 5.946 ( 0.000 5.404 -3.644) 6.518 6.733 ( 0.000 14.581 2.473) 14.789 6.795 ( 0.000 17.792 1.377) 17.845 6.991 ( 0.000 4.041 1.974) 4.497 7.067 ( 0.000 14.380 0.655) 14.395 7.129 ( 0.000 14.191 -0.885) 14.218 7.193 ( 0.000 20.218 0.901) 20.238 7.301 ( 0.000 15.743 1.285) 15.795 7.330 ( 0.000 6.089 -0.804) 6.141 7.418 ( 0.000 14.173 -4.141) 14.766 7.618 ( 0.000 11.894 -12.678) 17.384 7.786 ( 0.000 3.487 11.902) 12.403 8.098 ( 0.000 11.685 -0.270) 11.688 8.641 ( 0.000 9.383 2.036) 9.602 8.717 ( 0.000 5.457 -4.972) 7.383 8.906 ( 0.000 2.447 6.550) 6.992 9.150 ( 0.000 9.133 4.152) 10.032 9.376 ( 0.000 4.211 -0.856) 4.297 9.545 ( 0.000 3.391 -5.984) 6.878 9.654 ( 0.000 0.756 7.967) 8.002 9.763 ( 0.000 -19.719 -1.925) 19.813 9.985 ( 0.000 -3.018 0.457) 3.053 10.089 ( 0.000 -36.926 -4.853) 37.243 10.222 ( 0.000 -1.277 -2.512) 2.819 10.245 ( 0.000 -19.351 -5.474) 20.110 10.310 ( 0.000 -31.783 0.700) 31.791 10.395 ( 0.000 -10.272 2.385) 10.545 10.539 ( 0.000 -10.674 11.588) 15.755 11.051 ( 0.000 -7.049 -0.419) 7.062 11.118 ( 0.000 -2.410 5.452) 5.961 11.205 ( 0.000 -1.773 9.704) 9.865 11.425 ( 0.000 1.623 -15.104) 15.191 11.621 ( 0.000 2.004 12.649) 12.807 11.802 ( 0.000 -5.626 0.611) 5.659 12.221 ( 0.000 12.446 0.294) 12.450 12.302 ( 0.000 3.086 0.916) 3.219 12.323 ( 0.000 0.667 5.619) 5.658 12.464 ( 0.000 1.579 0.887) 1.811 12.750 ( 0.000 14.672 -4.410) 15.321 12.874 ( 0.000 19.429 3.709) 19.780 13.257 ( 0.000 6.670 2.633) 7.171 13.259 ( 0.000 -4.261 -12.192) 12.915 14.106 ( 0.000 -0.058 1.273) 1.274 14.119 ( 0.000 -7.741 2.901) 8.266 14.291 ( 0.000 -3.883 -14.649) 15.155 15.279 ( 0.000 -13.004 -1.748) 13.121 15.512 ( 0.000 4.755 -4.053) 6.248 15.625 ( 0.000 -14.612 -1.672) 14.708 15.907 ( 0.000 7.776 -23.600) 24.848 16.025 ( 0.000 -6.206 0.634) 6.238 16.451 ( 0.000 2.841 -7.729) 8.235 16.728 ( 0.000 -31.313 -8.012) 32.322 16.758 ( 0.000 -1.682 -0.302) 1.709 17.205 ( 0.000 -21.349 15.713) 26.508 17.295 ( 0.000 -8.764 2.418) 9.092 17.508 ( 0.000 -4.624 1.115) 4.757 17.615 ( 0.000 -5.127 0.081) 5.128 19.268 ( 0.000 5.281 7.631) 9.280 19.617 ( 0.000 -2.312 26.095) 26.197 19.989 ( 0.000 -5.004 -9.566) 10.796 20.597 ( 0.000 -12.526 -4.399) 13.276 21.735 ( 0.000 3.986 0.944) 4.097 21.910 ( 0.000 4.043 -5.182) 6.572 22.111 ( 0.000 4.752 4.903) 6.828 22.308 ( 0.000 8.773 -1.640) 8.925 23.010 ( 0.000 -7.678 1.356) 7.797 23.113 ( 0.000 -1.824 -1.252) 2.212 23.150 ( 0.000 -4.769 0.325) 4.780 23.162 ( 0.000 -12.242 0.103) 12.243 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -1.664 20.303 -0.999) 20.396 2.462 ( 2.199 18.887 2.468) 19.174 2.566 ( -1.686 9.687 -6.478) 11.774 2.715 ( -3.184 4.360 -5.921) 8.013 2.811 ( -8.495 7.072 3.382) 11.559 2.914 ( 0.203 9.210 2.390) 9.518 3.019 ( -1.243 8.464 -3.099) 9.099 3.115 ( -3.017 6.234 0.816) 6.973 3.259 ( 0.660 7.323 2.655) 7.817 3.316 ( 3.810 6.991 6.200) 10.091 3.374 ( -0.693 2.037 -1.474) 2.608 3.501 ( 2.565 1.721 -0.311) 3.105 3.554 ( -5.714 9.146 -4.363) 11.633 3.714 ( 7.437 1.072 -2.848) 8.036 3.897 ( 6.731 6.224 7.222) 11.670 3.950 ( 5.912 18.850 8.427) 21.478 4.120 ( -1.179 11.494 -0.717) 11.576 4.150 ( 0.872 10.355 6.092) 12.045 4.205 ( 0.396 5.710 1.095) 5.828 4.433 ( -0.598 12.739 9.279) 15.772 4.798 ( -0.640 6.717 -7.251) 9.905 5.050 ( 1.777 3.880 -4.817) 6.436 5.082 ( -3.039 9.324 -5.385) 11.188 5.144 ( 0.854 7.634 -6.962) 10.367 5.666 ( -0.458 0.804 0.287) 0.969 5.705 ( -1.105 -2.517 1.760) 3.264 5.770 ( 2.305 -0.748 -1.952) 3.111 5.928 ( -1.583 4.109 -3.454) 5.596 6.764 ( 1.957 15.200 2.400) 15.512 6.811 ( 3.292 17.165 0.794) 17.496 6.998 ( -3.707 16.320 2.938) 16.992 7.060 ( 3.465 8.730 2.827) 9.809 7.175 ( 3.319 18.040 -2.157) 18.469 7.238 ( 3.647 13.252 -0.316) 13.748 7.301 ( 0.829 12.207 0.340) 12.240 7.361 ( 1.684 10.311 0.403) 10.455 7.415 ( 0.125 10.616 -3.700) 11.243 7.647 ( 1.736 10.268 -6.940) 12.514 7.740 ( -2.882 5.090 6.681) 8.880 8.068 ( -3.154 11.286 -0.775) 11.744 8.515 ( -9.170 12.892 2.730) 16.055 8.580 ( -9.956 6.896 0.185) 12.112 9.006 ( 6.094 1.752 0.425) 6.356 9.179 ( 0.792 5.601 -0.963) 5.738 9.421 ( 4.596 2.598 2.223) 5.729 9.577 ( 3.120 0.943 -2.670) 4.214 9.749 ( 3.982 -0.191 4.420) 5.952 9.756 ( 2.992 -16.349 -2.393) 16.792 9.970 ( -1.761 -5.163 3.137) 6.293 10.079 ( -1.712 -28.253 -5.450) 28.825 10.156 ( -1.079 -12.317 -0.188) 12.366 10.277 ( -1.606 -33.101 -0.339) 33.142 10.334 ( 4.456 -14.170 -1.435) 14.923 10.476 ( 6.078 -9.016 3.629) 11.463 10.646 ( 10.217 -9.374 5.918) 15.076 11.010 ( -2.332 -4.576 1.148) 5.263 11.139 ( 1.738 -3.296 4.467) 5.817 11.228 ( 1.732 -0.465 8.192) 8.386 11.415 ( -1.896 -0.236 -9.624) 9.811 11.590 ( -2.504 2.150 8.751) 9.353 11.729 ( -8.052 -4.582 0.898) 9.308 12.051 ( -15.256 2.369 -1.174) 15.483 12.113 ( -7.834 8.007 -0.529) 11.214 12.389 ( -0.463 2.660 -0.502) 2.747 12.489 ( 3.245 3.708 4.511) 6.680 12.834 ( -4.707 16.313 5.878) 17.967 12.884 ( 8.823 10.139 -3.110) 13.796 13.066 ( -5.492 7.701 -2.788) 9.860 13.468 ( 8.871 -1.716 -4.991) 10.322 13.909 ( -10.176 -2.801 3.437) 11.100 14.261 ( 5.194 -3.498 -2.244) 6.652 14.303 ( 1.029 -2.454 -14.452) 14.695 15.293 ( 1.516 -11.946 -0.857) 12.072 15.475 ( -2.894 -2.680 -0.881) 4.042 15.698 ( 6.017 -6.287 -7.104) 11.234 15.913 ( 0.305 6.411 -22.581) 23.475 16.070 ( 4.514 -6.610 0.530) 8.022 16.436 ( -1.838 0.538 -7.926) 8.155 16.716 ( -1.070 -23.956 -6.307) 24.796 16.748 ( -1.062 -4.840 -1.697) 5.238 17.174 ( -1.866 -17.345 14.157) 22.467 17.340 ( 0.813 -8.839 3.294) 9.467 17.400 ( -5.540 -5.418 7.140) 10.537 17.617 ( -1.261 -8.149 -0.219) 8.249 19.284 ( 1.678 5.074 8.455) 10.002 19.533 ( -6.196 0.331 19.960) 20.902 20.109 ( 9.552 -7.516 -6.612) 13.836 20.565 ( -3.246 -12.451 -5.054) 13.824 21.744 ( 0.921 4.590 0.862) 4.760 21.887 ( -2.313 5.603 -3.974) 7.248 22.098 ( -0.640 4.008 4.087) 5.760 22.271 ( -3.483 7.649 -1.388) 8.519 23.013 ( 0.589 -6.475 0.912) 6.566 23.080 ( -1.518 -0.970 -0.719) 1.940 23.205 ( 3.543 -12.871 0.177) 13.351 23.210 ( 3.710 -6.917 0.050) 7.849 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 1.508 15.343 2.483) 15.615 2.428 ( -7.234 7.721 3.123) 11.032 2.546 ( 4.762 16.747 0.828) 17.431 2.658 ( -5.719 13.134 1.501) 14.404 2.775 ( 5.479 6.732 -9.562) 12.914 2.894 ( -4.348 6.203 -4.207) 8.665 2.996 ( 0.640 7.585 -2.280) 7.946 3.044 ( -3.421 11.282 -2.592) 12.071 3.284 ( 1.955 5.942 1.226) 6.375 3.331 ( -2.535 5.432 1.258) 6.125 3.372 ( 2.300 9.679 1.273) 10.030 3.429 ( -4.001 7.778 -3.726) 9.508 3.641 ( 7.614 2.825 6.647) 10.495 3.770 ( -3.407 0.411 5.537) 6.515 3.987 ( 3.096 9.050 0.564) 9.582 4.052 ( -1.444 10.531 -0.347) 10.635 4.128 ( 7.081 8.372 3.632) 11.551 4.184 ( 1.084 14.277 6.812) 15.855 4.256 ( 4.180 5.323 5.960) 9.018 4.375 ( -5.680 9.286 6.798) 12.833 4.823 ( 4.158 7.489 -6.507) 10.757 4.951 ( -7.435 11.103 -5.962) 14.632 5.122 ( 2.894 5.238 -5.249) 7.960 5.155 ( -0.298 7.370 -6.292) 9.695 5.658 ( 0.122 -1.826 0.433) 1.880 5.677 ( -1.538 -3.166 0.625) 3.575 5.833 ( 3.388 1.009 -2.701) 4.449 5.890 ( -2.313 2.117 -3.309) 4.559 6.809 ( 3.330 16.373 2.703) 16.925 6.895 ( -4.165 17.761 2.780) 18.453 6.937 ( 6.520 18.754 0.375) 19.859 7.068 ( -4.437 19.842 0.111) 20.333 7.253 ( 4.812 15.330 0.546) 16.077 7.313 ( -0.723 12.730 0.661) 12.767 7.330 ( 4.333 6.356 -1.235) 7.791 7.373 ( -0.313 12.592 0.136) 12.596 7.449 ( 3.787 3.099 0.075) 4.894 7.570 ( -7.143 3.336 6.200) 10.029 7.810 ( 7.703 11.204 -5.266) 14.581 7.967 ( -7.040 11.470 -2.076) 13.618 8.376 ( -3.322 13.806 1.960) 14.335 8.407 ( -6.093 11.593 1.233) 13.155 9.104 ( 3.893 1.551 -2.861) 5.074 9.163 ( -2.024 2.628 -3.543) 4.853 9.544 ( 7.263 0.582 3.813) 8.224 9.638 ( 0.946 -1.167 -0.726) 1.668 9.728 ( -1.040 -13.509 -1.936) 13.687 9.776 ( -5.100 -9.440 1.067) 10.782 10.013 ( 5.366 -8.050 0.535) 9.690 10.060 ( -0.240 -15.821 -3.057) 16.115 10.181 ( 2.380 -19.935 0.336) 20.079 10.237 ( -2.638 -23.947 1.073) 24.116 10.423 ( 5.516 -15.695 4.789) 17.312 10.531 ( -2.787 -12.303 7.596) 14.725 10.906 ( 14.224 -6.146 1.264) 15.547 11.047 ( 4.695 -1.632 0.364) 4.984 11.163 ( 0.382 -0.204 1.418) 1.482 11.233 ( -2.619 0.379 3.499) 4.387 11.366 ( -0.606 -2.769 0.472) 2.874 11.473 ( -10.997 -0.623 0.518) 11.027 11.579 ( -0.933 -1.321 3.059) 3.460 11.714 ( -14.384 1.432 2.113) 14.609 12.119 ( 6.070 2.740 -5.464) 8.614 12.281 ( -8.563 0.867 -5.988) 10.485 12.584 ( 5.587 7.825 6.755) 11.751 12.706 ( -6.753 11.467 7.666) 15.358 13.013 ( 3.659 7.836 -0.652) 8.673 13.039 ( 0.397 9.751 -0.462) 9.770 13.609 ( 5.863 -1.682 -2.910) 6.758 13.733 ( -7.311 -1.770 1.158) 7.611 14.321 ( 1.160 -1.633 -7.904) 8.154 14.322 ( 0.716 -0.631 -12.561) 12.598 15.341 ( 3.154 -9.904 0.666) 10.416 15.410 ( -3.531 -7.321 0.910) 8.179 15.823 ( 5.706 -0.175 -14.536) 15.616 15.901 ( -1.989 3.427 -19.641) 20.037 16.198 ( 8.039 -6.915 -1.517) 10.712 16.356 ( -6.619 -4.898 -6.486) 10.481 16.700 ( -0.053 -12.008 -3.812) 12.599 16.718 ( -1.604 -6.120 -2.554) 6.823 17.156 ( 0.519 -12.970 14.373) 19.367 17.215 ( -5.819 -6.416 13.183) 15.774 17.461 ( 5.216 -12.002 2.985) 13.423 17.559 ( -4.253 -10.667 1.042) 11.531 19.334 ( 3.379 4.409 10.682) 12.040 19.418 ( -5.051 3.010 14.313) 15.474 20.304 ( 9.406 -10.181 -6.516) 15.316 20.466 ( -6.703 -11.805 -6.246) 14.943 21.773 ( 2.101 5.968 0.520) 6.348 21.828 ( -3.224 6.871 -1.016) 7.658 22.113 ( 2.409 4.036 1.516) 4.939 22.186 ( -4.507 5.612 -0.445) 7.212 23.033 ( 1.254 -4.003 0.199) 4.199 23.057 ( -1.072 -1.832 -0.362) 2.153 23.264 ( 1.894 -12.335 0.244) 12.482 23.268 ( 1.608 -10.298 0.162) 10.424 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 0.000 1.858 -1.307) 2.272 2.694 ( 0.000 4.034 -4.808) 6.276 2.815 ( 0.000 7.855 -1.636) 8.024 2.873 ( 0.000 16.285 -2.896) 16.540 3.009 ( 0.000 2.104 6.858) 7.173 3.023 ( 0.000 1.857 2.417) 3.048 3.149 ( 0.000 2.692 9.150) 9.538 3.230 ( 0.000 5.520 -3.761) 6.679 3.293 ( 0.000 7.401 1.185) 7.495 3.439 ( 0.000 5.720 -1.455) 5.902 3.453 ( 0.000 8.197 3.900) 9.078 3.523 ( 0.000 -0.180 -4.652) 4.656 3.664 ( 0.000 2.020 0.263) 2.037 3.718 ( 0.000 3.202 -2.570) 4.106 3.920 ( 0.000 2.364 7.012) 7.400 4.159 ( 0.000 4.364 -1.681) 4.676 4.320 ( 0.000 7.473 0.948) 7.533 4.369 ( 0.000 10.736 -0.240) 10.739 4.421 ( 0.000 17.702 9.701) 20.186 4.665 ( 0.000 11.064 7.741) 13.503 4.965 ( 0.000 6.249 -5.154) 8.100 5.061 ( 0.000 2.740 -3.368) 4.341 5.254 ( 0.000 5.028 -5.401) 7.379 5.276 ( 0.000 5.430 -6.564) 8.519 5.676 ( 0.000 -2.475 -0.365) 2.502 5.699 ( 0.000 1.607 -0.139) 1.613 5.794 ( 0.000 7.689 1.403) 7.816 6.054 ( 0.000 4.705 -5.279) 7.071 6.932 ( 0.000 7.135 2.930) 7.714 6.997 ( 0.000 5.288 1.134) 5.409 7.058 ( 0.000 3.457 1.926) 3.957 7.275 ( 0.000 7.448 1.606) 7.619 7.334 ( 0.000 10.112 -1.764) 10.264 7.402 ( 0.000 3.123 8.536) 9.090 7.547 ( 0.000 12.223 1.190) 12.280 7.639 ( 0.000 14.146 -0.582) 14.158 7.709 ( 0.000 14.039 -3.375) 14.439 7.860 ( 0.000 11.843 -14.329) 18.589 7.962 ( 0.000 11.502 6.401) 13.163 8.320 ( 0.000 10.380 -0.885) 10.417 8.831 ( 0.000 7.568 -2.410) 7.942 8.877 ( 0.000 9.496 -3.216) 10.026 9.027 ( 0.000 7.434 7.712) 10.712 9.292 ( 0.000 -30.168 -0.780) 30.178 9.312 ( 0.000 -13.993 -4.739) 14.773 9.335 ( 0.000 1.897 1.406) 2.362 9.423 ( 0.000 -30.269 -4.233) 30.563 9.442 ( 0.000 -3.761 -2.574) 4.558 9.643 ( 0.000 -0.050 0.502) 0.504 9.834 ( 0.000 1.219 -0.702) 1.407 9.937 ( 0.000 -1.527 3.387) 3.715 10.030 ( 0.000 -0.720 -2.504) 2.606 10.263 ( 0.000 -3.855 7.680) 8.593 10.392 ( 0.000 -3.344 11.576) 12.049 10.424 ( 0.000 10.555 -2.771) 10.912 10.900 ( 0.000 -9.328 -2.394) 9.630 11.101 ( 0.000 0.477 6.861) 6.878 11.177 ( 0.000 -2.139 -0.766) 2.272 11.377 ( 0.000 -5.461 -12.828) 13.942 11.665 ( 0.000 -8.758 0.420) 8.768 11.675 ( 0.000 2.444 15.248) 15.443 12.327 ( 0.000 -10.697 -1.613) 10.818 12.361 ( 0.000 5.373 8.960) 10.448 12.421 ( 0.000 8.033 2.347) 8.369 12.458 ( 0.000 6.504 -0.949) 6.573 13.013 ( 0.000 12.049 -5.730) 13.343 13.208 ( 0.000 14.092 3.175) 14.445 13.280 ( 0.000 6.503 -0.859) 6.560 13.413 ( 0.000 9.207 0.593) 9.226 13.951 ( 0.000 -8.802 6.358) 10.858 14.131 ( 0.000 2.766 0.641) 2.839 14.195 ( 0.000 -5.814 -8.845) 10.585 14.986 ( 0.000 -16.012 0.239) 16.014 15.260 ( 0.000 -21.910 1.468) 21.960 15.585 ( 0.000 -20.068 -5.406) 20.783 15.658 ( 0.000 -8.845 1.314) 8.942 15.794 ( 0.000 -21.326 -21.608) 30.360 16.304 ( 0.000 -1.429 -17.418) 17.477 16.459 ( 0.000 -1.825 -13.700) 13.821 16.612 ( 0.000 -8.793 -9.610) 13.026 17.077 ( 0.000 4.412 21.984) 22.422 17.288 ( 0.000 3.608 8.213) 8.970 17.497 ( 0.000 1.596 7.449) 7.618 17.581 ( 0.000 0.489 1.265) 1.356 19.382 ( 0.000 6.178 4.407) 7.589 19.627 ( 0.000 2.937 15.663) 15.936 19.880 ( 0.000 -5.927 -7.276) 9.385 20.344 ( 0.000 -12.854 -4.194) 13.521 21.792 ( 0.000 2.181 0.889) 2.355 21.942 ( 0.000 -0.164 -4.472) 4.475 22.151 ( 0.000 -0.305 5.287) 5.296 22.379 ( 0.000 -1.644 -1.982) 2.575 22.881 ( 0.000 -4.711 0.866) 4.790 22.930 ( 0.000 -7.293 -0.355) 7.302 23.093 ( 0.000 -1.590 0.322) 1.622 23.119 ( 0.000 -0.729 -0.331) 0.801 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -2.961 1.570 0.132) 3.354 2.727 ( -1.772 7.987 0.147) 8.182 2.767 ( -0.400 12.169 -2.852) 12.505 2.866 ( -0.126 9.880 -3.033) 10.336 2.942 ( -2.474 7.175 1.153) 7.676 3.071 ( -4.577 0.687 1.178) 4.776 3.094 ( 2.072 6.360 3.911) 7.748 3.271 ( -0.143 8.249 -0.467) 8.263 3.352 ( 6.255 -0.042 3.530) 7.183 3.403 ( -2.655 6.264 1.022) 6.880 3.487 ( 0.645 4.366 -1.021) 4.530 3.515 ( 1.156 2.871 -1.887) 3.625 3.692 ( 0.507 2.006 -0.275) 2.087 3.739 ( 4.097 4.092 -1.344) 5.944 3.948 ( 3.014 -0.184 7.589) 8.168 4.167 ( 0.630 3.611 1.277) 3.882 4.287 ( -2.731 7.999 0.621) 8.476 4.368 ( 0.550 10.628 -0.299) 10.646 4.439 ( 0.963 13.882 8.622) 16.370 4.666 ( -2.907 9.596 6.995) 12.225 4.907 ( -0.579 6.331 -5.185) 8.203 5.139 ( 5.264 5.422 -4.052) 8.574 5.236 ( -1.869 5.836 -5.474) 8.217 5.286 ( 0.805 5.843 -6.542) 8.808 5.660 ( -0.867 0.228 0.125) 0.905 5.753 ( 3.509 0.419 -1.913) 4.019 5.766 ( -2.170 6.204 1.705) 6.790 6.012 ( -3.719 3.824 -4.767) 7.154 6.970 ( 2.670 7.696 3.517) 8.873 7.007 ( 3.571 5.373 1.066) 6.539 7.139 ( 5.774 3.353 3.421) 7.502 7.271 ( -2.800 10.172 0.821) 10.582 7.335 ( 0.402 2.845 2.596) 3.872 7.398 ( 2.467 5.882 2.788) 6.961 7.592 ( 2.641 10.693 0.909) 11.052 7.637 ( -0.426 14.571 -2.489) 14.788 7.692 ( -1.285 14.270 -1.836) 14.445 7.871 ( -1.522 11.705 -5.217) 12.905 7.947 ( 1.593 13.410 -0.665) 13.520 8.293 ( -2.845 10.638 -1.526) 11.117 8.757 ( -4.936 11.515 -0.571) 12.542 8.833 ( -4.557 15.230 0.429) 15.903 9.075 ( 3.543 2.231 2.330) 4.791 9.233 ( -2.372 -12.560 -2.622) 13.048 9.324 ( 0.427 -15.688 -0.067) 15.693 9.360 ( -0.121 -26.516 0.002) 26.516 9.436 ( -0.118 -13.662 -5.698) 14.803 9.463 ( 2.556 -13.965 -2.090) 14.350 9.609 ( -0.275 0.428 -0.428) 0.664 9.868 ( -5.139 -2.753 2.564) 6.369 9.968 ( 7.996 1.401 -1.614) 8.276 10.073 ( 4.670 1.681 0.611) 5.001 10.269 ( 0.885 -0.203 5.324) 5.400 10.407 ( 1.896 -0.485 10.950) 11.124 10.558 ( 11.018 2.121 -0.420) 11.228 10.909 ( 2.105 -7.036 -1.701) 7.538 11.125 ( 2.279 0.956 1.358) 2.820 11.197 ( 1.862 -3.144 2.717) 4.553 11.357 ( -2.690 -5.173 -9.263) 10.945 11.607 ( -4.504 -4.525 4.261) 7.676 11.639 ( -4.023 -1.749 8.661) 9.709 12.144 ( -18.107 7.566 0.375) 19.627 12.230 ( -8.572 3.742 0.437) 9.364 12.312 ( -3.881 -9.054 -1.469) 9.960 12.601 ( 6.776 7.353 6.124) 11.725 13.063 ( -0.231 9.506 -0.084) 9.509 13.129 ( -2.549 12.412 2.714) 12.958 13.261 ( -1.032 11.035 0.036) 11.083 13.504 ( 6.254 5.419 -0.031) 8.276 13.846 ( -7.146 -3.659 5.257) 9.596 14.218 ( 5.381 -0.627 -1.833) 5.719 14.235 ( 3.346 -4.016 -8.480) 9.962 15.005 ( 1.905 -16.470 1.180) 16.621 15.219 ( -3.486 -20.320 2.311) 20.746 15.613 ( 2.394 -25.362 -6.583) 26.312 15.740 ( 5.184 -18.561 6.787) 20.432 15.795 ( 2.372 -8.095 -27.952) 29.197 16.274 ( -3.130 -0.594 -18.037) 18.316 16.480 ( 1.903 -2.921 -12.761) 13.229 16.601 ( -1.113 -8.134 -9.654) 12.673 17.091 ( 1.480 4.942 21.563) 22.172 17.314 ( 2.559 2.964 7.320) 8.302 17.418 ( -7.057 3.276 10.584) 13.136 17.555 ( -2.701 0.172 1.713) 3.203 19.396 ( 1.460 6.189 5.044) 8.117 19.578 ( -3.746 4.106 12.101) 13.317 19.959 ( 6.627 -7.603 -5.324) 11.405 20.316 ( -2.873 -12.649 -4.486) 13.725 21.807 ( 1.501 2.284 0.875) 2.870 21.944 ( -0.089 0.895 -4.201) 4.296 22.121 ( -1.977 -1.037 5.015) 5.489 22.323 ( -4.964 -2.073 -1.608) 5.615 22.911 ( 2.838 -3.559 0.788) 4.619 22.976 ( 3.593 -6.848 -0.891) 7.785 23.083 ( -0.791 -1.571 0.787) 1.927 23.124 ( 0.201 -2.544 -0.315) 2.572 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 1.044 6.752 2.237) 7.189 2.624 ( -5.195 12.152 2.145) 13.389 2.828 ( 3.582 10.989 -0.441) 11.566 2.877 ( 0.169 5.453 -3.674) 6.577 2.899 ( -0.430 10.087 0.150) 10.097 2.971 ( -5.224 2.253 -2.649) 6.275 3.148 ( 3.929 6.995 0.290) 8.028 3.236 ( -4.004 7.840 -1.636) 8.954 3.375 ( 0.659 3.052 0.399) 3.148 3.401 ( -1.012 2.756 -0.208) 2.943 3.520 ( 2.571 1.240 1.954) 3.460 3.542 ( 0.420 5.415 0.439) 5.449 3.720 ( 3.027 4.251 2.622) 5.840 3.783 ( -1.535 2.580 3.986) 4.990 4.054 ( 6.864 -2.845 0.247) 7.435 4.162 ( -3.172 -0.003 -0.251) 3.181 4.283 ( 5.740 9.972 4.134) 12.226 4.396 ( 1.497 7.994 2.922) 8.642 4.437 ( -1.301 10.411 6.086) 12.130 4.498 ( -11.125 4.769 6.513) 13.745 5.006 ( 8.057 11.154 -5.041) 14.654 5.154 ( -5.814 9.274 -5.793) 12.384 5.247 ( 4.243 6.679 -5.413) 9.587 5.296 ( -0.460 6.199 -6.652) 9.104 5.651 ( 0.380 1.495 1.264) 1.994 5.692 ( -3.588 4.247 2.060) 5.930 5.846 ( 4.547 0.318 -3.326) 5.642 5.931 ( -4.147 1.858 -3.982) 6.042 7.034 ( 4.432 8.747 4.124) 10.637 7.137 ( 2.585 6.311 2.252) 7.182 7.143 ( -0.158 7.870 3.757) 8.723 7.249 ( -0.687 4.025 2.268) 4.671 7.369 ( 3.057 -0.746 0.048) 3.147 7.430 ( -1.114 1.450 1.558) 2.403 7.616 ( 0.222 13.089 -2.072) 13.254 7.625 ( -0.392 15.909 -3.483) 16.291 7.696 ( 2.579 14.726 1.832) 15.062 7.783 ( -5.351 14.612 3.315) 15.910 8.057 ( 7.504 12.842 -6.099) 16.076 8.201 ( -6.343 11.380 -3.471) 13.483 8.694 ( -0.645 17.266 1.445) 17.338 8.735 ( -4.314 18.852 2.582) 19.511 9.140 ( 3.001 -2.921 -2.279) 4.768 9.193 ( -2.177 -5.186 -3.807) 6.792 9.338 ( 0.903 -21.998 -1.149) 22.047 9.356 ( -0.432 -29.950 1.831) 30.009 9.436 ( 1.345 -13.932 -3.714) 14.481 9.479 ( -1.489 -15.829 -1.908) 16.013 9.652 ( 3.829 0.654 0.002) 3.885 9.749 ( -5.842 -0.913 2.354) 6.364 10.089 ( 5.091 -0.964 -5.594) 7.625 10.164 ( -0.316 0.669 -3.590) 3.666 10.317 ( 5.617 2.085 12.213) 13.604 10.414 ( -2.358 -0.350 12.552) 12.777 10.813 ( 13.418 -2.890 -0.114) 13.726 10.988 ( 0.701 -5.258 -1.622) 5.547 11.180 ( 3.316 -0.499 -4.065) 5.269 11.225 ( 1.599 -1.468 1.629) 2.714 11.312 ( 0.884 -3.496 -0.735) 3.680 11.459 ( -11.110 -2.718 -1.276) 11.509 11.578 ( 1.252 2.052 8.812) 9.134 11.771 ( -16.965 5.963 2.459) 18.150 12.132 ( 0.393 -0.642 -4.165) 4.233 12.210 ( -5.724 -7.571 -4.924) 10.692 12.744 ( 8.021 8.483 9.463) 15.028 12.919 ( -9.194 10.302 9.416) 16.713 13.188 ( 3.534 8.909 -0.408) 9.593 13.238 ( -1.625 9.753 0.745) 9.916 13.618 ( 5.152 3.288 0.729) 6.155 13.719 ( -5.463 0.729 2.837) 6.199 14.293 ( 2.009 -2.058 -8.124) 8.618 14.295 ( 1.845 -0.780 -5.521) 5.874 15.060 ( 3.578 -17.663 2.693) 18.222 15.140 ( -4.225 -18.891 3.077) 19.601 15.671 ( 3.209 -27.409 -7.983) 28.728 15.731 ( -2.545 -28.252 -8.343) 29.567 15.975 ( 11.090 1.881 -15.558) 19.198 16.169 ( -7.677 0.568 -17.786) 19.380 16.525 ( 2.399 -4.744 -11.164) 12.365 16.570 ( -2.002 -6.558 -10.051) 12.167 17.143 ( 4.080 5.940 20.233) 21.478 17.260 ( -7.537 5.778 16.556) 19.086 17.388 ( 4.405 1.316 5.250) 6.978 17.480 ( -4.542 0.359 3.067) 5.492 19.439 ( 2.766 6.091 6.589) 9.390 19.503 ( -3.618 5.509 8.792) 10.989 20.103 ( 7.231 -10.139 -5.008) 13.423 20.231 ( -5.518 -11.843 -4.965) 13.977 21.852 ( 2.906 2.589 0.573) 3.934 21.915 ( -2.949 2.637 -1.279) 4.158 22.123 ( 2.679 -2.400 1.890) 4.063 22.211 ( -5.624 -2.427 -0.570) 6.151 22.975 ( 3.180 -2.011 0.245) 3.770 23.020 ( -0.548 -2.203 -1.228) 2.581 23.083 ( 1.624 -5.767 1.209) 6.112 23.117 ( -1.082 -5.173 -0.012) 5.284 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 0.000 -2.907 0.602) 2.969 2.662 ( 0.000 -5.205 -4.134) 6.647 3.000 ( 0.000 6.563 0.296) 6.570 3.022 ( 0.000 0.723 7.960) 7.993 3.058 ( 0.000 3.506 4.508) 5.711 3.112 ( 0.000 6.668 -2.679) 7.186 3.256 ( 0.000 4.783 0.587) 4.819 3.277 ( 0.000 1.210 -4.162) 4.334 3.463 ( 0.000 8.345 1.937) 8.567 3.515 ( 0.000 1.606 -3.175) 3.558 3.557 ( 0.000 4.999 0.140) 5.001 3.572 ( 0.000 3.336 2.742) 4.318 3.680 ( 0.000 -0.444 0.874) 0.980 3.726 ( 0.000 -3.214 2.585) 4.124 3.968 ( 0.000 3.408 2.384) 4.159 4.145 ( 0.000 -4.033 -2.483) 4.736 4.480 ( 0.000 7.659 1.256) 7.762 4.539 ( 0.000 5.864 0.143) 5.865 4.717 ( 0.000 11.352 7.262) 13.476 4.840 ( 0.000 5.648 6.258) 8.430 5.062 ( 0.000 3.954 -5.184) 6.520 5.112 ( 0.000 1.933 -3.934) 4.384 5.332 ( 0.000 2.747 -4.530) 5.298 5.344 ( 0.000 1.984 -3.894) 4.371 5.676 ( 0.000 2.094 0.647) 2.192 5.735 ( 0.000 1.221 -0.943) 1.543 5.957 ( 0.000 7.787 -1.268) 7.889 6.111 ( 0.000 0.728 -4.596) 4.653 7.034 ( 0.000 2.908 0.845) 3.029 7.056 ( 0.000 1.267 1.020) 1.627 7.176 ( 0.000 10.116 4.320) 10.999 7.370 ( 0.000 5.365 8.969) 10.451 7.499 ( 0.000 5.021 -1.194) 5.161 7.536 ( 0.000 8.425 -1.023) 8.487 7.709 ( 0.000 4.197 -0.569) 4.235 7.754 ( 0.000 -3.704 -3.441) 5.055 7.954 ( 0.000 9.912 -5.028) 11.114 8.024 ( 0.000 2.836 -10.786) 11.153 8.137 ( 0.000 5.409 4.018) 6.738 8.427 ( 0.000 -6.270 -5.893) 8.604 8.680 ( 0.000 -5.478 5.712) 7.914 8.823 ( 0.000 -14.338 2.081) 14.488 8.961 ( 0.000 -6.353 -4.282) 7.661 9.046 ( 0.000 -10.787 -3.748) 11.419 9.183 ( 0.000 7.612 -0.862) 7.661 9.192 ( 0.000 -2.718 1.305) 3.015 9.254 ( 0.000 7.626 3.522) 8.400 9.498 ( 0.000 1.008 -4.127) 4.248 9.749 ( 0.000 8.792 -2.347) 9.099 9.883 ( 0.000 1.613 -0.483) 1.684 9.983 ( 0.000 3.712 -0.023) 3.713 10.025 ( 0.000 -2.716 0.398) 2.745 10.317 ( 0.000 9.031 8.010) 12.071 10.428 ( 0.000 7.219 6.908) 9.992 10.582 ( 0.000 0.533 -4.872) 4.901 10.718 ( 0.000 -4.407 -0.010) 4.407 11.112 ( 0.000 0.211 7.375) 7.378 11.136 ( 0.000 -0.801 -5.587) 5.644 11.216 ( 0.000 -10.464 -8.510) 13.488 11.468 ( 0.000 -10.891 0.620) 10.908 11.714 ( 0.000 2.444 12.606) 12.841 12.029 ( 0.000 -15.436 3.714) 15.876 12.469 ( 0.000 4.768 2.452) 5.362 12.552 ( 0.000 1.871 -1.710) 2.535 12.677 ( 0.000 17.295 10.161) 20.059 13.183 ( 0.000 2.318 -3.496) 4.194 13.433 ( 0.000 8.845 3.549) 9.531 13.461 ( 0.000 8.757 3.578) 9.459 13.615 ( 0.000 10.960 -1.307) 11.037 13.828 ( 0.000 -0.572 5.033) 5.065 14.070 ( 0.000 -6.030 -1.412) 6.193 14.207 ( 0.000 3.733 -0.485) 3.764 14.692 ( 0.000 -11.882 1.984) 12.047 14.819 ( 0.000 -20.200 4.478) 20.691 14.989 ( 0.000 -27.821 1.593) 27.867 15.118 ( 0.000 -29.608 2.740) 29.735 15.907 ( 0.000 12.619 -21.609) 25.024 16.355 ( 0.000 -8.646 -19.756) 21.565 16.380 ( 0.000 4.858 -21.195) 21.744 16.503 ( 0.000 -2.617 -13.744) 13.991 17.214 ( 0.000 7.305 18.164) 19.578 17.344 ( 0.000 1.261 11.106) 11.178 17.541 ( 0.000 2.487 7.748) 8.138 17.595 ( 0.000 0.316 3.129) 3.145 19.507 ( 0.000 6.421 1.873) 6.689 19.723 ( 0.000 6.704 7.905) 10.365 19.759 ( 0.000 -6.298 -4.027) 7.476 20.099 ( 0.000 -11.798 -2.032) 11.972 21.832 ( 0.000 2.029 0.810) 2.184 21.920 ( 0.000 -1.817 -1.689) 2.481 22.135 ( 0.000 -0.230 2.479) 2.490 22.281 ( 0.000 -6.577 -1.456) 6.736 22.827 ( 0.000 -1.101 0.382) 1.165 22.849 ( 0.000 -2.001 -0.187) 2.010 23.076 ( 0.000 -0.262 0.399) 0.478 23.100 ( 0.000 -1.116 -0.187) 1.131 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 2.307 0.887 0.938) 2.644 2.740 ( 5.971 -4.282 -4.839) 8.798 2.962 ( -4.857 5.178 3.345) 7.848 3.010 ( 0.920 6.200 1.113) 6.366 3.056 ( -1.402 0.937 3.491) 3.877 3.122 ( 0.692 6.536 -1.950) 6.856 3.213 ( -1.128 5.083 1.424) 5.398 3.354 ( 4.612 -0.356 -0.022) 4.626 3.419 ( -2.070 6.574 1.026) 6.968 3.462 ( -4.723 2.162 -3.062) 6.029 3.538 ( -2.654 1.867 1.449) 3.553 3.611 ( 0.660 2.650 1.197) 2.982 3.683 ( 3.280 -0.328 3.034) 4.480 3.790 ( 5.225 -0.960 0.118) 5.314 3.960 ( -0.937 2.697 2.703) 3.931 4.140 ( -0.856 -4.731 -1.685) 5.095 4.460 ( -1.242 8.115 1.169) 8.293 4.532 ( -0.516 5.438 0.154) 5.465 4.661 ( -3.779 8.501 7.498) 11.949 4.777 ( -7.896 2.332 5.750) 10.042 5.080 ( 5.957 9.482 -4.582) 12.099 5.227 ( 6.948 2.627 -4.671) 8.775 5.329 ( -0.029 3.876 -4.103) 5.645 5.367 ( 1.549 2.450 -4.811) 5.617 5.691 ( 0.665 2.367 0.358) 2.484 5.754 ( 2.655 -0.108 -1.350) 2.980 5.917 ( -4.027 7.424 -0.840) 8.487 6.061 ( -4.633 0.744 -4.267) 6.342 7.077 ( 4.702 2.722 1.315) 5.590 7.106 ( 4.066 4.222 1.134) 5.970 7.215 ( 3.790 7.075 3.753) 8.861 7.364 ( -0.873 3.813 8.068) 8.966 7.435 ( -4.855 5.685 0.308) 7.482 7.540 ( -1.166 5.825 -1.710) 6.182 7.743 ( 3.000 4.462 -1.402) 5.557 7.766 ( 1.185 -3.269 -3.379) 4.848 7.943 ( -0.718 9.420 -4.560) 10.490 8.040 ( 0.498 5.773 -6.571) 8.761 8.156 ( 2.552 5.353 0.900) 5.998 8.405 ( -2.241 -4.554 -5.714) 7.643 8.704 ( 2.356 -6.125 5.306) 8.439 8.832 ( 0.566 -14.646 2.122) 14.810 8.970 ( 0.938 -5.526 -3.612) 6.668 9.043 ( -0.261 -10.317 -3.743) 10.978 9.115 ( -3.636 2.581 1.646) 4.753 9.184 ( -3.723 10.514 1.837) 11.304 9.270 ( 2.232 -0.227 1.395) 2.642 9.472 ( -2.411 0.335 -2.071) 3.196 9.744 ( 0.145 9.753 -1.785) 9.916 9.862 ( -2.874 2.408 1.323) 3.976 9.983 ( 2.225 -0.919 -5.098) 5.638 10.098 ( 4.055 -2.342 -1.357) 4.876 10.367 ( 4.278 10.416 7.924) 13.769 10.452 ( 2.305 6.514 6.685) 9.614 10.657 ( 7.006 1.969 -2.921) 7.842 10.748 ( 3.409 -5.612 -0.698) 6.603 11.113 ( -1.002 -4.241 -6.148) 7.536 11.145 ( 2.111 0.117 6.522) 6.856 11.219 ( -0.413 -8.646 -6.873) 11.052 11.424 ( -3.826 -10.455 1.297) 11.208 11.672 ( -3.090 3.525 11.747) 12.648 12.013 ( -1.311 -14.535 2.266) 14.769 12.313 ( -16.794 6.768 -1.099) 18.139 12.357 ( -11.696 4.766 0.212) 12.631 12.780 ( 6.636 11.982 10.727) 17.398 13.208 ( 1.719 2.040 -0.248) 2.679 13.332 ( -7.011 8.276 5.599) 12.206 13.449 ( -2.962 6.021 2.801) 7.271 13.664 ( 4.341 10.276 0.106) 11.156 13.826 ( -0.331 5.192 4.401) 6.814 14.126 ( 5.203 -6.461 -3.625) 9.054 14.253 ( 3.273 1.904 -1.839) 4.209 14.697 ( 0.429 -12.323 2.822) 12.649 14.793 ( -2.234 -19.547 4.880) 20.270 15.020 ( 2.796 -27.197 0.964) 27.357 15.130 ( 0.727 -29.144 1.548) 29.194 15.965 ( 5.699 11.552 -21.199) 24.806 16.353 ( -2.627 4.688 -21.310) 21.977 16.375 ( 1.725 -7.656 -19.036) 20.590 16.494 ( -0.915 -3.035 -14.187) 14.537 17.230 ( 1.661 7.270 17.645) 19.156 17.363 ( 1.870 1.041 10.284) 10.504 17.490 ( -4.695 3.641 9.430) 11.146 17.567 ( -2.734 0.220 3.789) 4.677 19.525 ( 1.737 6.744 2.326) 7.342 19.688 ( -2.436 6.600 5.129) 8.706 19.813 ( 4.177 -6.895 -1.911) 8.285 20.075 ( -2.447 -11.625 -2.210) 12.084 21.848 ( 1.625 2.093 0.788) 2.764 21.938 ( 1.647 -1.443 -1.989) 2.959 22.094 ( -3.458 -0.572 2.672) 4.407 22.229 ( -4.591 -6.056 -1.211) 7.695 22.868 ( 3.648 -1.043 0.343) 3.809 22.891 ( 3.772 -2.258 -0.249) 4.404 23.063 ( -1.300 -0.444 0.434) 1.440 23.087 ( -1.247 -1.423 -0.174) 1.900 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 6.733 6.109 0.965) 9.142 2.819 ( -4.310 6.752 0.128) 8.011 2.883 ( 2.880 -0.866 -3.890) 4.917 2.977 ( -4.522 -0.027 -1.494) 4.763 3.055 ( 2.292 8.423 2.010) 8.957 3.109 ( -2.518 9.984 1.542) 10.412 3.240 ( 4.182 1.646 1.484) 4.733 3.347 ( -5.893 2.424 -1.664) 6.586 3.409 ( 1.248 1.929 0.213) 2.307 3.435 ( 0.506 0.405 2.180) 2.275 3.501 ( 1.413 -1.666 1.892) 2.890 3.571 ( -3.546 -2.397 2.579) 4.997 3.789 ( 5.700 3.780 1.505) 7.004 3.874 ( -0.974 4.440 -0.371) 4.561 3.964 ( 4.874 -4.428 1.072) 6.672 4.086 ( -5.012 -6.009 -1.435) 7.955 4.470 ( 2.993 8.026 3.356) 9.200 4.534 ( 0.594 5.326 2.427) 5.883 4.586 ( -4.230 5.091 6.654) 9.385 4.606 ( -6.574 4.849 4.530) 9.341 5.220 ( 6.557 9.436 -5.404) 12.698 5.311 ( -2.440 6.592 -5.037) 8.647 5.350 ( 4.596 3.059 -5.649) 7.899 5.389 ( 0.281 3.037 -5.533) 6.318 5.711 ( 2.466 4.057 1.079) 4.869 5.806 ( -6.171 6.322 0.229) 8.837 5.840 ( 5.150 -1.156 -2.244) 5.735 5.952 ( -5.837 -0.135 -3.342) 6.727 7.194 ( 5.190 5.979 2.884) 8.426 7.209 ( 7.009 3.589 0.742) 7.910 7.284 ( -0.896 4.654 4.749) 6.710 7.313 ( -3.183 4.251 0.527) 5.337 7.370 ( 0.709 2.927 3.864) 4.899 7.465 ( -5.814 2.909 -0.049) 6.501 7.794 ( 1.335 -2.098 -4.341) 5.003 7.800 ( 1.459 1.156 -4.556) 4.921 7.951 ( 2.282 11.783 -0.665) 12.020 8.014 ( -2.885 10.420 -0.377) 10.819 8.241 ( 5.300 3.160 -4.106) 7.411 8.340 ( -4.253 -0.614 -5.261) 6.793 8.767 ( 3.651 -8.993 4.217) 10.583 8.826 ( -1.654 -13.709 2.714) 14.072 9.003 ( 2.337 -4.112 -1.474) 4.954 9.038 ( -0.387 -11.727 -3.810) 12.337 9.057 ( -1.641 6.434 2.647) 7.148 9.093 ( -4.376 11.047 1.401) 11.965 9.328 ( 3.721 -1.396 1.115) 4.128 9.408 ( -3.901 -1.135 0.683) 4.120 9.761 ( 1.463 8.748 -1.710) 9.033 9.802 ( -2.660 6.212 -0.444) 6.772 10.050 ( 3.960 -3.438 -6.105) 8.049 10.118 ( -2.076 -4.750 -5.051) 7.238 10.459 ( 4.040 10.726 8.226) 14.108 10.494 ( 0.791 7.541 7.239) 10.483 10.797 ( 6.214 0.246 -1.026) 6.303 10.850 ( 3.484 -8.105 -2.761) 9.244 11.115 ( 1.259 -4.823 -2.235) 5.463 11.147 ( -1.101 -5.282 -0.031) 5.395 11.229 ( 2.291 -5.280 -0.031) 5.755 11.330 ( -5.969 -9.168 0.626) 10.958 11.679 ( 6.323 7.484 7.338) 12.241 11.931 ( -15.990 7.429 0.338) 17.635 12.020 ( -0.305 -8.525 0.448) 8.542 12.124 ( -9.822 -1.205 -2.071) 10.110 12.935 ( 8.991 11.218 11.561) 18.448 13.125 ( -9.505 10.660 9.390) 17.092 13.295 ( 3.202 -0.027 2.636) 4.148 13.372 ( -4.224 2.341 3.146) 5.764 13.751 ( 3.827 10.189 1.110) 10.940 13.807 ( -1.812 9.764 2.213) 10.174 14.236 ( 4.843 -5.104 -4.998) 8.630 14.290 ( -0.231 -1.434 -4.271) 4.512 14.711 ( 1.151 -13.977 4.371) 14.690 14.745 ( -2.257 -17.089 5.201) 18.005 15.083 ( 3.067 -26.809 -0.014) 26.984 15.128 ( -1.194 -27.741 0.019) 27.767 16.113 ( 8.349 8.712 -20.985) 24.206 16.265 ( -6.324 6.108 -21.339) 23.079 16.420 ( 2.511 -6.284 -17.261) 18.540 16.466 ( -1.938 -4.336 -15.431) 16.145 17.284 ( 3.799 6.975 16.018) 17.879 17.380 ( -5.703 5.756 13.019) 15.335 17.418 ( 3.542 0.553 8.157) 8.910 17.496 ( -4.087 0.199 5.644) 6.971 19.572 ( 2.896 7.371 3.323) 8.589 19.633 ( -3.038 7.579 4.337) 9.246 19.908 ( 5.140 -9.471 -2.421) 11.044 20.005 ( -4.381 -10.963 -2.503) 12.069 21.896 ( 3.103 2.283 0.525) 3.888 21.955 ( -1.633 1.835 -1.420) 2.838 22.050 ( 1.170 -4.073 1.825) 4.614 22.126 ( -5.195 -5.249 -0.521) 7.403 22.948 ( 3.970 -0.762 0.234) 4.049 22.973 ( 3.667 -1.973 -0.511) 4.195 23.024 ( -2.362 -1.145 0.664) 2.708 23.049 ( -2.661 -2.177 -0.076) 3.438 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 0.000 -2.540 -0.458) 2.581 2.573 ( 0.000 2.540 -0.458) 2.581 3.037 ( 0.000 -0.338 5.198) 5.209 3.037 ( 0.000 0.338 5.198) 5.209 3.145 ( 0.000 -2.603 0.131) 2.606 3.145 ( 0.000 2.603 0.131) 2.606 3.292 ( 0.000 -0.220 -5.484) 5.488 3.292 ( 0.000 0.220 -5.484) 5.488 3.574 ( 0.000 -2.636 0.744) 2.739 3.574 ( 0.000 2.636 0.744) 2.739 3.614 ( 0.000 -6.037 3.352) 6.906 3.614 ( 0.000 6.037 3.352) 6.906 3.645 ( 0.000 -2.390 2.089) 3.174 3.645 ( 0.000 2.390 2.089) 3.174 4.050 ( 0.000 -4.785 -1.560) 5.033 4.050 ( 0.000 4.785 -1.560) 5.033 4.581 ( 0.000 -1.779 0.912) 1.999 4.581 ( 0.000 1.779 0.912) 1.999 4.862 ( 0.000 -3.314 6.092) 6.935 4.862 ( 0.000 3.314 6.092) 6.935 5.119 ( 0.000 -1.412 -4.908) 5.107 5.119 ( 0.000 1.412 -4.908) 5.107 5.361 ( 0.000 -0.270 -3.680) 3.690 5.361 ( 0.000 0.270 -3.680) 3.690 5.726 ( 0.000 -2.080 0.165) 2.086 5.726 ( 0.000 2.080 0.165) 2.086 6.078 ( 0.000 -4.097 -3.268) 5.241 6.078 ( 0.000 4.097 -3.268) 5.241 7.062 ( 0.000 -0.459 1.191) 1.276 7.062 ( 0.000 0.459 1.191) 1.276 7.456 ( 0.000 -14.671 0.666) 14.686 7.456 ( 0.000 14.671 0.666) 14.686 7.514 ( 0.000 -8.752 2.418) 9.080 7.514 ( 0.000 8.753 2.418) 9.081 7.694 ( 0.000 -7.394 -4.185) 8.496 7.694 ( 0.000 7.394 -4.185) 8.496 8.032 ( 0.000 -1.007 -0.697) 1.225 8.032 ( 0.000 1.008 -0.697) 1.225 8.243 ( 0.000 -7.155 -1.410) 7.292 8.243 ( 0.000 7.155 -1.410) 7.293 8.764 ( 0.000 -9.107 -3.207) 9.655 8.764 ( 0.000 9.107 -3.207) 9.655 8.834 ( 0.000 -9.397 -0.537) 9.413 8.834 ( 0.000 9.397 -0.537) 9.413 9.234 ( 0.000 -1.751 2.843) 3.339 9.234 ( 0.000 1.751 2.843) 3.340 9.426 ( 0.000 -7.424 -1.252) 7.529 9.426 ( 0.000 7.424 -1.252) 7.529 9.908 ( 0.000 -2.382 -4.008) 4.663 9.908 ( 0.000 2.383 -4.008) 4.663 9.978 ( 0.000 -1.402 0.221) 1.420 9.978 ( 0.000 1.402 0.221) 1.420 10.467 ( 0.000 -6.288 1.465) 6.456 10.467 ( 0.000 6.288 1.465) 6.456 10.649 ( 0.000 -10.293 2.564) 10.608 10.649 ( 0.000 10.293 2.564) 10.608 11.082 ( 0.000 -0.231 -5.930) 5.935 11.082 ( 0.000 0.232 -5.930) 5.935 11.241 ( 0.000 -10.460 3.501) 11.030 11.241 ( 0.000 10.460 3.501) 11.030 11.804 ( 0.000 -7.305 9.222) 11.765 11.804 ( 0.000 7.305 9.222) 11.765 12.542 ( 0.000 -2.435 -0.328) 2.457 12.542 ( 0.000 2.435 -0.328) 2.457 13.029 ( 0.000 -15.939 6.990) 17.404 13.029 ( 0.000 15.939 6.990) 17.405 13.536 ( 0.000 -0.849 4.154) 4.240 13.536 ( 0.000 0.849 4.154) 4.240 13.817 ( 0.000 -7.778 -3.976) 8.735 13.817 ( 0.000 7.778 -3.976) 8.735 14.121 ( 0.000 -12.343 2.584) 12.610 14.121 ( 0.000 12.343 2.584) 12.610 14.636 ( 0.000 -5.421 4.554) 7.080 14.636 ( 0.000 5.421 4.554) 7.080 14.679 ( 0.000 -12.688 3.474) 13.155 14.679 ( 0.000 12.688 3.474) 13.155 16.152 ( 0.000 -11.660 -21.741) 24.670 16.152 ( 0.000 11.660 -21.741) 24.670 16.456 ( 0.000 -2.831 -18.470) 18.685 16.456 ( 0.000 2.831 -18.470) 18.685 17.324 ( 0.000 -3.420 14.349) 14.751 17.324 ( 0.000 3.420 14.349) 14.751 17.583 ( 0.000 -1.541 5.501) 5.713 17.583 ( 0.000 1.541 5.501) 5.713 19.633 ( 0.000 -6.392 -0.776) 6.439 19.633 ( 0.000 6.392 -0.776) 6.439 19.886 ( 0.000 -9.692 2.052) 9.907 19.886 ( 0.000 9.692 2.052) 9.907 21.876 ( 0.000 -2.426 0.359) 2.452 21.876 ( 0.000 2.426 0.359) 2.452 22.170 ( 0.000 -3.985 -0.258) 3.994 22.170 ( 0.000 3.985 -0.258) 3.994 22.825 ( 0.000 -0.662 0.062) 0.665 22.825 ( 0.000 0.662 0.062) 0.665 23.081 ( 0.000 -0.691 0.140) 0.705 23.081 ( 0.000 0.691 0.140) 0.705 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 6.373 -4.459 -0.978) 7.839 2.641 ( 6.373 4.459 -0.978) 7.839 3.022 ( -2.128 -1.727 4.234) 5.044 3.022 ( -2.128 1.727 4.234) 5.044 3.141 ( 0.594 -3.285 -0.744) 3.420 3.141 ( 0.594 3.285 -0.744) 3.420 3.310 ( 1.105 -3.909 -3.032) 5.069 3.310 ( 1.105 3.909 -3.032) 5.069 3.516 ( -4.379 -3.457 1.488) 5.774 3.516 ( -4.379 3.457 1.488) 5.774 3.560 ( -3.355 -5.406 2.330) 6.776 3.560 ( -3.355 5.407 2.330) 6.776 3.736 ( 6.018 -3.654 1.846) 7.278 3.736 ( 6.018 3.654 1.846) 7.279 4.038 ( -1.482 -4.819 -1.199) 5.183 4.038 ( -1.482 4.819 -1.199) 5.183 4.567 ( -0.903 -2.087 0.877) 2.437 4.567 ( -0.903 2.087 0.877) 2.437 4.773 ( -6.652 -2.875 6.128) 9.490 4.773 ( -6.652 2.875 6.128) 9.490 5.218 ( 7.373 -3.829 -5.307) 9.858 5.218 ( 7.373 3.829 -5.307) 9.858 5.381 ( 1.658 -1.043 -3.816) 4.289 5.381 ( 1.658 1.043 -3.816) 4.289 5.736 ( 1.195 -1.815 0.040) 2.174 5.736 ( 1.195 1.815 0.040) 2.174 6.031 ( -4.507 -3.818 -2.877) 6.570 6.031 ( -4.507 3.818 -2.877) 6.570 7.117 ( 5.130 -1.343 1.021) 5.400 7.117 ( 5.130 1.343 1.021) 5.400 7.438 ( -2.713 -7.154 0.884) 7.702 7.438 ( -2.713 7.154 0.884) 7.702 7.507 ( 0.785 -12.917 1.970) 13.090 7.507 ( 0.785 12.917 1.970) 13.090 7.690 ( -1.151 -8.644 -3.996) 9.593 7.690 ( -1.151 8.645 -3.996) 9.593 8.071 ( 3.756 -5.434 -0.588) 6.632 8.071 ( 3.756 5.434 -0.588) 6.632 8.242 ( -0.239 -7.305 -1.264) 7.418 8.242 ( -0.239 7.306 -1.264) 7.418 8.776 ( 1.123 -8.532 -2.558) 8.978 8.776 ( 1.123 8.532 -2.558) 8.978 8.834 ( -0.112 -8.813 -0.651) 8.838 8.834 ( -0.112 8.813 -0.651) 8.838 9.230 ( -0.086 -4.411 3.169) 5.432 9.230 ( -0.086 4.411 3.169) 5.432 9.393 ( -3.151 -7.812 0.449) 8.435 9.393 ( -3.151 7.812 0.449) 8.435 9.910 ( 0.536 -4.712 -4.035) 6.227 9.910 ( 0.536 4.713 -4.036) 6.228 9.985 ( 0.268 -7.820 -2.009) 8.078 9.985 ( 0.268 7.820 -2.009) 8.078 10.543 ( 6.789 -7.210 1.186) 9.974 10.543 ( 6.789 7.210 1.186) 9.974 10.668 ( 1.640 -10.703 2.146) 11.039 10.668 ( 1.640 10.703 2.146) 11.039 11.072 ( -0.603 -3.185 -4.896) 5.872 11.072 ( -0.603 3.185 -4.896) 5.872 11.228 ( -1.510 -8.087 3.477) 8.931 11.228 ( -1.510 8.087 3.477) 8.931 11.786 ( -0.787 -8.247 8.366) 11.774 11.786 ( -0.787 8.248 8.366) 11.774 12.392 ( -13.816 -1.378 -1.713) 13.990 12.392 ( -13.816 1.378 -1.713) 13.990 13.063 ( 3.534 -14.191 8.855) 17.096 13.063 ( 3.534 14.191 8.855) 17.096 13.465 ( -6.247 -3.933 4.624) 8.711 13.465 ( -6.247 3.933 4.624) 8.711 13.887 ( 5.713 -10.305 -2.624) 12.072 13.887 ( 5.713 10.306 -2.624) 12.072 14.126 ( -0.120 -13.619 1.470) 13.699 14.126 ( -0.120 13.619 1.470) 13.699 14.656 ( 1.796 -7.689 3.681) 8.712 14.656 ( 1.796 7.689 3.681) 8.712 14.692 ( 1.115 -13.443 3.182) 13.859 14.692 ( 1.115 13.443 3.182) 13.860 16.189 ( 3.566 -10.610 -21.274) 24.039 16.189 ( 3.566 10.610 -21.274) 24.039 16.437 ( -1.964 -3.325 -18.704) 19.099 16.437 ( -1.964 3.325 -18.704) 19.099 17.340 ( 1.635 -3.475 13.640) 14.170 17.340 ( 1.635 3.475 13.640) 14.170 17.549 ( -3.226 -2.073 6.482) 7.532 17.549 ( -3.226 2.073 6.482) 7.532 19.660 ( 2.577 -6.906 -0.540) 7.391 19.660 ( 2.577 6.906 -0.540) 7.391 19.864 ( -2.151 -9.514 1.747) 9.910 19.864 ( -2.151 9.514 1.747) 9.910 21.895 ( 1.850 -2.571 0.306) 3.182 21.895 ( 1.850 2.571 0.306) 3.183 22.126 ( -3.973 -3.787 -0.188) 5.492 22.126 ( -3.973 3.787 -0.188) 5.492 22.865 ( 3.627 -0.630 0.062) 3.682 22.865 ( 3.627 0.630 0.062) 3.682 23.066 ( -1.484 -0.685 0.131) 1.640 23.066 ( -1.484 0.685 0.131) 1.640 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 8.318 -5.100 -1.682) 9.901 2.796 ( 8.318 5.100 -1.682) 9.901 2.941 ( -5.904 -3.488 0.006) 6.857 2.941 ( -5.904 3.488 0.006) 6.857 3.192 ( 4.431 -4.789 1.410) 6.675 3.192 ( 4.431 4.789 1.410) 6.675 3.291 ( -4.026 -6.580 0.834) 7.759 3.291 ( -4.026 6.580 0.834) 7.759 3.457 ( -0.212 -1.422 1.051) 1.781 3.457 ( -0.212 1.422 1.051) 1.781 3.493 ( -3.033 -4.074 2.048) 5.476 3.493 ( -3.033 4.074 2.048) 5.476 3.864 ( 6.550 -3.674 0.429) 7.522 3.864 ( 6.550 3.674 0.429) 7.522 3.979 ( -4.577 -4.490 -0.643) 6.444 3.979 ( -4.577 4.490 -0.643) 6.444 4.572 ( 1.933 -1.841 2.593) 3.722 4.572 ( 1.933 1.841 2.593) 3.722 4.647 ( -5.443 -0.771 5.333) 7.659 4.647 ( -5.443 0.771 5.333) 7.659 5.349 ( 4.970 -3.316 -5.969) 8.446 5.349 ( 4.970 3.316 -5.969) 8.446 5.402 ( -0.365 -2.078 -4.817) 5.259 5.402 ( -0.365 2.079 -4.817) 5.259 5.791 ( 4.725 -3.606 -0.378) 5.956 5.791 ( 4.725 3.606 -0.378) 5.956 5.913 ( -6.810 -3.889 -1.698) 8.024 5.913 ( -6.810 3.889 -1.698) 8.024 7.240 ( 6.493 -1.168 0.961) 6.667 7.240 ( 6.493 1.168 0.961) 6.667 7.356 ( -5.092 -1.782 1.309) 5.552 7.356 ( -5.092 1.783 1.309) 5.552 7.555 ( 3.659 -14.211 0.004) 14.675 7.555 ( 3.659 14.211 0.004) 14.675 7.636 ( -3.990 -11.825 -2.543) 12.736 7.636 ( -3.990 11.825 -2.543) 12.736 8.159 ( 4.348 -7.674 -0.730) 8.850 8.159 ( 4.348 7.674 -0.730) 8.850 8.223 ( -1.940 -7.655 -0.992) 7.959 8.223 ( -1.940 7.655 -0.992) 7.959 8.804 ( 1.458 -7.550 -1.371) 7.811 8.804 ( 1.458 7.550 -1.371) 7.811 8.827 ( -0.726 -7.651 -0.847) 7.732 8.827 ( -0.726 7.651 -0.847) 7.732 9.247 ( 2.129 -7.252 3.501) 8.330 9.247 ( 2.129 7.252 3.501) 8.330 9.314 ( -4.260 -8.315 2.741) 9.737 9.314 ( -4.260 8.315 2.741) 9.737 9.937 ( 2.015 -7.590 -4.803) 9.205 9.937 ( 2.015 7.590 -4.803) 9.205 9.975 ( -1.410 -9.384 -4.249) 10.397 9.975 ( -1.410 9.384 -4.249) 10.397 10.672 ( 4.414 -9.903 0.300) 10.847 10.672 ( 4.414 9.903 0.300) 10.847 10.699 ( 0.935 -11.205 0.841) 11.275 10.699 ( 0.935 11.205 0.841) 11.275 11.088 ( 2.866 -3.100 -0.740) 4.286 11.088 ( 2.866 3.101 -0.740) 4.286 11.171 ( -4.267 -4.226 3.151) 6.781 11.171 ( -4.267 4.226 3.151) 6.782 11.835 ( 7.089 -7.991 4.263) 11.501 11.835 ( 7.089 7.992 4.263) 11.501 12.074 ( -15.914 -4.355 -0.616) 16.510 12.074 ( -15.914 4.355 -0.616) 16.510 13.168 ( 6.807 -10.841 9.043) 15.673 13.168 ( 6.807 10.841 9.043) 15.673 13.319 ( -7.956 -7.166 6.907) 12.742 13.319 ( -7.956 7.166 6.907) 12.742 14.005 ( 5.624 -13.047 -1.215) 14.260 14.005 ( 5.624 13.047 -1.215) 14.260 14.095 ( -3.147 -14.328 -0.101) 14.670 14.095 ( -3.147 14.328 -0.101) 14.670 14.694 ( 1.633 -11.306 2.512) 11.696 14.694 ( 1.633 11.306 2.512) 11.696 14.709 ( 0.196 -13.366 2.485) 13.596 14.709 ( 0.196 13.366 2.485) 13.596 16.280 ( 5.188 -7.908 -20.277) 22.374 16.280 ( 5.188 7.908 -20.277) 22.374 16.376 ( -4.137 -5.038 -19.345) 20.414 16.376 ( -4.137 5.038 -19.345) 20.414 17.390 ( 3.381 -3.485 11.658) 12.629 17.390 ( 3.381 3.485 11.658) 12.629 17.469 ( -4.383 -3.026 8.925) 10.393 17.469 ( -4.383 3.026 8.924) 10.393 19.727 ( 3.913 -7.983 0.114) 8.891 19.727 ( 3.913 7.983 0.114) 8.891 19.805 ( -3.655 -8.945 0.986) 9.713 19.805 ( -3.655 8.945 0.986) 9.713 21.949 ( 3.619 -2.946 0.164) 4.669 21.949 ( 3.619 2.946 0.164) 4.669 22.034 ( -4.772 -3.393 -0.023) 5.856 22.034 ( -4.772 3.393 -0.023) 5.856 22.947 ( 4.215 -0.656 0.079) 4.267 22.947 ( 4.215 0.656 0.079) 4.267 23.021 ( -3.050 -0.681 0.107) 3.127 23.021 ( -3.050 0.681 0.107) 3.127 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 0.000 27.992) 27.992 1.280 ( 0.000 0.000 31.354) 31.354 1.575 ( 0.000 0.000 -24.232) 24.232 1.807 ( 0.000 0.000 -25.948) 25.948 1.925 ( 0.000 0.000 43.630) 43.630 2.465 ( 0.000 0.000 -9.406) 9.406 2.559 ( 0.000 0.000 8.406) 8.406 2.776 ( 0.000 0.000 -20.239) 20.239 2.781 ( 0.000 0.000 6.231) 6.231 2.794 ( 0.000 0.000 7.474) 7.474 2.871 ( 0.000 0.000 -1.800) 1.800 2.971 ( 0.000 0.000 -11.577) 11.577 3.071 ( 0.000 0.000 2.441) 2.441 3.143 ( 0.000 0.000 -4.058) 4.058 3.290 ( 0.000 0.000 1.977) 1.977 3.320 ( 0.000 0.000 -1.304) 1.304 3.424 ( 0.000 0.000 11.243) 11.243 3.650 ( 0.000 0.000 -12.478) 12.478 3.918 ( 0.000 0.000 9.441) 9.441 4.106 ( 0.000 0.000 -9.984) 9.984 4.483 ( 0.000 0.000 11.724) 11.724 4.562 ( 0.000 0.000 0.115) 0.115 4.567 ( 0.000 0.000 -0.372) 0.372 4.705 ( 0.000 0.000 -11.307) 11.307 4.828 ( 0.000 0.000 1.965) 1.965 4.864 ( 0.000 0.000 -1.792) 1.792 4.905 ( 0.000 0.000 5.770) 5.770 5.015 ( 0.000 0.000 -5.392) 5.392 5.648 ( 0.000 0.000 -0.322) 0.322 5.680 ( 0.000 0.000 -3.242) 3.242 6.210 ( 0.000 0.000 3.509) 3.509 6.278 ( 0.000 0.000 -3.382) 3.382 6.901 ( 0.000 0.000 4.706) 4.706 6.988 ( 0.000 0.000 -4.698) 4.698 7.056 ( 0.000 0.000 4.102) 4.102 7.128 ( 0.000 0.000 -2.709) 2.709 7.178 ( 0.000 0.000 3.051) 3.051 7.298 ( 0.000 0.000 -9.189) 9.189 7.824 ( 0.000 0.000 13.270) 13.270 7.997 ( 0.000 0.000 -4.047) 4.047 8.487 ( 0.000 0.000 2.761) 2.761 8.553 ( 0.000 0.000 -5.025) 5.025 8.610 ( 0.000 0.000 0.684) 0.684 8.619 ( 0.000 0.000 -0.268) 0.268 9.469 ( 0.000 0.000 9.601) 9.601 9.621 ( 0.000 0.000 -6.376) 6.376 9.875 ( 0.000 0.000 2.700) 2.700 9.930 ( 0.000 0.000 -3.222) 3.222 10.324 ( 0.000 0.000 4.510) 4.510 10.421 ( 0.000 0.000 -5.651) 5.651 10.601 ( 0.000 0.000 -1.829) 1.829 10.619 ( 0.000 0.000 -4.007) 4.007 10.637 ( 0.000 0.000 5.763) 5.763 10.712 ( 0.000 0.000 -2.030) 2.030 11.143 ( 0.000 0.000 1.696) 1.696 11.205 ( 0.000 0.000 -5.150) 5.150 11.251 ( 0.000 0.000 14.453) 14.453 11.440 ( 0.000 0.000 5.071) 5.071 11.531 ( 0.000 0.000 -15.213) 15.213 11.549 ( 0.000 0.000 -6.536) 6.536 11.985 ( 0.000 0.000 2.434) 2.434 12.014 ( 0.000 0.000 -0.783) 0.783 12.222 ( 0.000 0.000 2.170) 2.170 12.243 ( 0.000 0.000 0.147) 0.147 12.707 ( 0.000 0.000 14.159) 14.159 12.919 ( 0.000 0.000 -6.457) 6.457 13.478 ( 0.000 0.000 1.184) 1.184 13.566 ( 0.000 0.000 -10.200) 10.200 13.957 ( 0.000 0.000 8.815) 8.815 13.976 ( 0.000 0.000 8.923) 8.923 14.114 ( 0.000 0.000 -7.821) 7.821 14.133 ( 0.000 0.000 -7.673) 7.673 14.617 ( 0.000 0.000 -0.547) 0.547 14.659 ( 0.000 0.000 -4.814) 4.814 15.550 ( 0.000 0.000 8.801) 8.801 15.642 ( 0.000 0.000 -1.088) 1.088 15.912 ( 0.000 0.000 12.793) 12.793 16.088 ( 0.000 0.000 -0.485) 0.485 16.104 ( 0.000 0.000 -3.819) 3.819 16.125 ( 0.000 0.000 -8.352) 8.352 18.804 ( 0.000 0.000 4.729) 4.729 18.895 ( 0.000 0.000 -4.792) 4.792 19.876 ( 0.000 0.000 6.753) 6.753 19.973 ( 0.000 0.000 0.288) 0.288 19.978 ( 0.000 0.000 -0.293) 0.293 19.987 ( 0.000 0.000 0.204) 0.204 19.991 ( 0.000 0.000 -0.200) 0.200 20.017 ( 0.000 0.000 -8.331) 8.331 20.876 ( 0.000 0.000 9.702) 9.702 21.050 ( 0.000 0.000 -9.023) 9.023 21.419 ( 0.000 0.000 1.176) 1.176 21.431 ( 0.000 0.000 -0.225) 0.225 23.129 ( 0.000 0.000 5.559) 5.559 23.250 ( 0.000 0.000 -7.525) 7.525 23.934 ( 0.000 0.000 9.455) 9.455 24.093 ( 0.000 0.000 -7.665) 7.665 ======================= Grid point 151 (50/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 12.233 0.000 22.502) 25.612 1.414 ( 12.660 0.000 27.036) 29.854 1.650 ( 6.154 0.000 -22.060) 22.903 1.878 ( 6.500 0.000 -22.808) 23.716 2.133 ( 17.356 0.000 34.673) 38.774 2.373 ( -5.982 0.000 7.711) 9.760 2.492 ( -7.445 0.000 1.223) 7.545 2.608 ( -13.614 0.000 7.738) 15.660 2.759 ( -10.775 0.000 -7.929) 13.378 2.784 ( 1.697 0.000 -6.430) 6.650 2.829 ( 0.635 0.000 1.056) 1.232 2.975 ( 6.810 0.000 -19.530) 20.683 3.082 ( 1.573 0.000 5.844) 6.052 3.164 ( 0.198 0.000 -2.487) 2.495 3.333 ( 3.548 0.000 1.054) 3.701 3.360 ( 3.051 0.000 -1.551) 3.423 3.502 ( 4.614 0.000 7.067) 8.440 3.687 ( 1.454 0.000 -12.329) 12.415 3.854 ( -6.838 0.000 12.134) 13.928 4.087 ( -4.819 0.000 -11.581) 12.543 4.395 ( -4.696 0.000 10.949) 11.914 4.565 ( -8.151 0.000 -5.536) 9.853 4.587 ( 2.637 0.000 0.812) 2.759 4.605 ( 3.306 0.000 -1.035) 3.464 4.808 ( -2.055 0.000 1.931) 2.820 4.842 ( -2.142 0.000 -1.752) 2.767 4.943 ( 0.721 0.000 1.440) 1.610 5.027 ( 0.270 0.000 -5.841) 5.847 5.680 ( 4.234 0.000 2.706) 5.025 5.769 ( 6.384 0.000 -6.714) 9.265 6.230 ( 1.147 0.000 3.644) 3.821 6.269 ( -1.752 0.000 0.331) 1.783 6.837 ( -4.166 0.000 4.560) 6.176 6.909 ( -3.428 0.000 -1.269) 3.655 7.043 ( 4.003 0.000 -0.928) 4.109 7.108 ( 0.639 0.000 -5.328) 5.366 7.416 ( 11.055 0.000 3.553) 11.612 7.490 ( 12.058 0.000 -5.012) 13.058 7.788 ( -1.797 0.000 9.959) 10.120 7.911 ( -7.713 0.000 -2.763) 8.192 8.450 ( 0.824 0.000 3.779) 3.868 8.557 ( 0.933 0.000 -7.429) 7.488 8.610 ( 0.040 0.000 0.601) 0.603 8.618 ( -0.129 0.000 -0.166) 0.210 9.445 ( -3.487 0.000 4.937) 6.045 9.537 ( -7.801 0.000 -4.344) 8.929 9.865 ( -0.784 0.000 1.942) 2.095 9.905 ( -2.029 0.000 -2.400) 3.142 10.378 ( 4.798 0.000 4.225) 6.393 10.466 ( 4.056 0.000 -4.902) 6.363 10.484 ( -7.916 0.000 5.443) 9.607 10.597 ( -6.177 0.000 -8.066) 10.160 10.633 ( -0.357 0.000 5.343) 5.355 10.710 ( -0.352 0.000 -2.436) 2.461 11.099 ( -3.822 0.000 1.063) 3.967 11.134 ( -5.664 0.000 -2.583) 6.225 11.281 ( 4.910 0.000 11.282) 12.304 11.487 ( 3.470 0.000 2.252) 4.136 11.499 ( -0.814 0.000 -10.806) 10.836 11.561 ( 0.894 0.000 -5.376) 5.450 12.111 ( 8.903 0.000 1.114) 8.972 12.135 ( 7.605 0.000 -1.153) 7.692 12.278 ( 3.506 0.000 3.134) 4.703 12.293 ( 6.609 0.000 1.349) 6.745 12.697 ( 0.615 0.000 8.527) 8.549 12.884 ( -3.289 0.000 -8.379) 9.002 13.397 ( -6.226 0.000 3.394) 7.092 13.514 ( -6.017 0.000 -9.574) 11.308 13.958 ( 0.105 0.000 8.758) 8.758 13.973 ( -0.267 0.000 8.810) 8.814 14.116 ( 0.241 0.000 -7.703) 7.707 14.132 ( -0.123 0.000 -7.618) 7.619 14.657 ( 4.968 0.000 2.881) 5.742 14.747 ( 5.850 0.000 -6.599) 8.819 15.506 ( -3.482 0.000 7.240) 8.034 15.595 ( -4.554 0.000 -2.152) 5.037 15.927 ( 1.450 0.000 12.043) 12.130 16.017 ( -2.363 0.000 6.416) 6.837 16.144 ( 1.791 0.000 -8.051) 8.247 16.183 ( 2.920 0.000 -8.449) 8.939 18.849 ( 4.307 0.000 5.279) 6.813 18.942 ( 4.011 0.000 -4.344) 5.913 19.845 ( -3.018 0.000 5.287) 6.087 19.954 ( -6.477 0.000 -5.941) 8.789 19.971 ( -0.106 0.000 0.245) 0.267 19.975 ( -0.212 0.000 -0.212) 0.300 19.990 ( 0.198 0.000 0.157) 0.253 19.993 ( 0.134 0.000 -0.190) 0.232 20.820 ( -5.604 0.000 13.133) 14.279 21.015 ( -2.953 0.000 -5.427) 6.179 21.114 ( -17.781 0.000 7.643) 19.354 21.275 ( -12.916 0.000 -6.947) 14.666 23.216 ( 6.687 0.000 6.179) 9.104 23.352 ( 4.920 0.000 -8.340) 9.683 24.055 ( 9.369 0.000 3.464) 9.989 24.158 ( 5.309 0.000 -6.817) 8.641 ======================= Grid point 152 (51/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 13.951 0.000 12.324) 18.615 1.715 ( -3.468 0.000 -9.105) 9.743 1.727 ( 17.157 0.000 17.669) 24.628 1.974 ( -2.374 0.000 -4.990) 5.526 2.140 ( -1.784 0.000 7.032) 7.254 2.268 ( -11.469 0.000 -4.962) 12.496 2.377 ( -3.907 0.000 -0.663) 3.963 2.513 ( -12.492 0.000 -11.421) 16.926 2.761 ( 26.049 0.000 20.250) 32.994 2.830 ( 1.437 0.000 2.257) 2.675 2.838 ( 6.424 0.000 9.426) 11.407 3.116 ( 1.740 0.000 4.419) 4.749 3.148 ( -1.408 0.000 1.126) 1.803 3.224 ( 11.328 0.000 -16.307) 19.856 3.393 ( 2.014 0.000 -0.360) 2.046 3.404 ( 0.963 0.000 -1.343) 1.653 3.459 ( -18.836 0.000 7.949) 20.445 3.536 ( -9.269 0.000 -1.379) 9.371 3.752 ( 3.228 0.000 -3.731) 4.933 3.902 ( -10.691 0.000 -12.812) 16.687 4.424 ( 3.988 0.000 2.709) 4.821 4.472 ( -1.641 0.000 -1.318) 2.104 4.656 ( 3.850 0.000 1.249) 4.048 4.680 ( 3.387 0.000 -1.263) 3.615 4.754 ( -2.599 0.000 1.528) 3.015 4.783 ( -3.577 0.000 -1.498) 3.878 4.949 ( 1.254 0.000 1.015) 1.613 5.000 ( -2.887 0.000 -3.618) 4.628 5.790 ( 5.705 0.000 2.144) 6.095 5.854 ( 0.595 0.000 -4.613) 4.651 6.217 ( -0.879 0.000 4.030) 4.125 6.236 ( -1.570 0.000 1.676) 2.297 6.829 ( 2.392 0.000 1.808) 2.998 6.873 ( -1.080 0.000 -2.728) 2.934 7.084 ( -0.416 0.000 -0.402) 0.578 7.105 ( -1.659 0.000 -2.713) 3.180 7.566 ( 7.356 0.000 6.179) 9.607 7.672 ( 4.570 0.000 -4.948) 6.735 7.758 ( -5.283 0.000 3.437) 6.303 7.790 ( -0.778 0.000 -0.193) 0.802 8.555 ( 6.948 0.000 0.452) 6.963 8.604 ( 2.274 0.000 -4.319) 4.881 8.612 ( 0.107 0.000 0.379) 0.394 8.615 ( -0.162 0.000 0.088) 0.184 9.344 ( -4.310 0.000 0.469) 4.335 9.371 ( -6.855 0.000 -2.201) 7.200 9.854 ( -0.024 0.000 0.470) 0.470 9.868 ( -1.417 0.000 -1.004) 1.737 10.360 ( -2.359 0.000 4.015) 4.657 10.427 ( -8.177 0.000 -3.521) 8.903 10.482 ( 4.937 0.000 4.110) 6.424 10.536 ( 0.837 0.000 0.284) 0.884 10.637 ( 1.859 0.000 0.337) 1.889 10.690 ( -2.015 0.000 -3.344) 3.905 11.025 ( -2.569 0.000 0.436) 2.606 11.032 ( -3.448 0.000 -0.322) 3.463 11.416 ( 6.591 0.000 4.430) 7.942 11.495 ( -1.200 0.000 -3.316) 3.526 11.546 ( 2.217 0.000 -0.709) 2.327 11.570 ( -0.245 0.000 -3.164) 3.173 12.224 ( 3.016 0.000 2.717) 4.059 12.249 ( 1.837 0.000 2.463) 3.072 12.346 ( 4.984 0.000 0.921) 5.068 12.414 ( 1.532 0.000 -3.272) 3.613 12.765 ( 4.897 0.000 -0.072) 4.898 12.825 ( -1.850 0.000 -5.673) 5.967 13.295 ( -2.398 0.000 3.018) 3.855 13.356 ( -7.834 0.000 -3.548) 8.600 13.961 ( 0.239 0.000 8.656) 8.660 13.967 ( -0.337 0.000 8.657) 8.664 14.122 ( 0.316 0.000 -7.538) 7.545 14.128 ( -0.246 0.000 -7.525) 7.529 14.774 ( 5.344 0.000 1.969) 5.695 14.824 ( 0.917 0.000 -2.967) 3.106 15.455 ( -0.700 0.000 2.462) 2.559 15.495 ( -4.391 0.000 -1.466) 4.630 15.961 ( 1.684 0.000 10.510) 10.644 15.988 ( -1.100 0.000 9.123) 9.189 16.184 ( 1.889 0.000 -7.673) 7.902 16.208 ( -0.242 0.000 -8.766) 8.769 18.953 ( 5.135 0.000 4.954) 7.135 19.004 ( 0.796 0.000 -0.081) 0.801 19.776 ( -2.533 0.000 1.450) 2.919 19.807 ( -5.871 0.000 -1.507) 6.062 19.970 ( 0.005 0.000 0.122) 0.122 19.972 ( -0.157 0.000 -0.048) 0.164 19.993 ( 0.145 0.000 0.031) 0.148 19.995 ( 0.016 0.000 -0.106) 0.107 20.746 ( 0.639 0.000 13.297) 13.312 20.850 ( -9.176 0.000 9.208) 13.000 20.996 ( 0.956 0.000 -9.037) 9.088 21.070 ( -6.755 0.000 -9.623) 11.757 23.332 ( 4.486 0.000 3.109) 5.458 23.387 ( -0.858 0.000 -2.484) 2.628 24.206 ( 4.901 0.000 -1.057) 5.014 24.239 ( 1.623 0.000 -4.411) 4.700 ======================= Grid point 155 (52/72) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.000 -0.264 29.785) 29.787 1.264 ( 0.000 16.153 23.388) 28.424 1.697 ( 0.000 11.786 -22.163) 25.102 1.725 ( 0.000 -3.923 -27.214) 27.496 2.317 ( 0.000 29.757 32.321) 43.933 2.553 ( 0.000 4.744 -1.581) 5.000 2.559 ( 0.000 1.870 9.522) 9.704 2.828 ( 0.000 4.591 7.110) 8.463 2.890 ( 0.000 8.852 -14.388) 16.893 2.906 ( 0.000 10.182 5.651) 11.645 2.962 ( 0.000 8.168 -0.232) 8.171 3.047 ( 0.000 10.583 -16.871) 19.916 3.123 ( 0.000 4.686 -0.329) 4.698 3.140 ( 0.000 -0.399 -0.038) 0.401 3.370 ( 0.000 7.570 0.599) 7.593 3.374 ( 0.000 5.253 0.112) 5.254 3.490 ( 0.000 5.323 5.536) 7.680 3.635 ( 0.000 -0.902 -10.128) 10.168 3.839 ( 0.000 -3.320 9.676) 10.229 4.043 ( 0.000 -1.952 -11.450) 11.615 4.463 ( 0.000 -0.791 11.689) 11.715 4.663 ( 0.000 -0.149 -8.605) 8.606 4.795 ( 0.000 9.517 5.365) 10.925 4.866 ( 0.000 22.028 -2.736) 22.197 4.965 ( 0.000 6.739 -0.897) 6.798 4.972 ( 0.000 16.484 -1.912) 16.595 5.111 ( 0.000 16.611 -0.628) 16.623 5.112 ( 0.000 21.271 -0.682) 21.282 5.681 ( 0.000 3.367 -0.503) 3.404 5.703 ( 0.000 2.444 -2.294) 3.352 6.190 ( 0.000 -1.534 1.841) 2.396 6.216 ( 0.000 -4.586 0.063) 4.586 6.914 ( 0.000 1.239 4.182) 4.362 6.964 ( 0.000 -2.792 1.363) 3.106 7.036 ( 0.000 -1.182 2.719) 2.965 7.065 ( 0.000 -0.511 -0.294) 0.589 7.131 ( 0.000 -2.827 -1.729) 3.314 7.225 ( 0.000 -5.541 -9.545) 11.037 7.812 ( 0.000 -0.150 11.757) 11.758 7.962 ( 0.000 -2.519 -3.498) 4.310 8.465 ( 0.000 -0.931 2.979) 3.121 8.527 ( 0.000 0.011 -3.831) 3.831 8.837 ( 0.000 16.220 1.269) 16.269 8.909 ( 0.000 19.763 -6.964) 20.954 9.361 ( 0.000 -8.618 8.348) 11.998 9.468 ( 0.000 -11.676 -2.484) 11.938 9.845 ( 0.000 -7.041 -0.444) 7.055 9.878 ( 0.000 -8.613 -3.425) 9.269 10.268 ( 0.000 10.026 3.758) 10.707 10.345 ( 0.000 2.611 -4.780) 5.447 10.656 ( 0.000 4.697 4.999) 6.859 10.720 ( 0.000 -0.100 6.006) 6.007 10.748 ( 0.000 3.251 -2.256) 3.957 10.868 ( 0.000 1.254 -8.720) 8.810 11.130 ( 0.000 3.328 7.495) 8.201 11.260 ( 0.000 -10.026 2.838) 10.420 11.362 ( 0.000 0.006 -3.793) 3.793 11.387 ( 0.000 23.730 -16.492) 28.898 11.629 ( 0.000 11.116 4.235) 11.895 11.750 ( 0.000 13.179 -8.234) 15.540 12.012 ( 0.000 0.457 2.683) 2.722 12.050 ( 0.000 1.206 -1.689) 2.076 12.237 ( 0.000 1.312 2.313) 2.659 12.262 ( 0.000 1.129 -0.417) 1.203 12.598 ( 0.000 -12.266 12.530) 17.534 12.740 ( 0.000 -17.811 -1.535) 17.877 13.131 ( 0.000 -25.804 6.021) 26.497 13.330 ( 0.000 -19.033 -16.410) 25.130 13.584 ( 0.000 -22.236 8.784) 23.908 13.783 ( 0.000 -14.117 -12.837) 19.080 14.126 ( 0.000 7.551 6.231) 9.790 14.249 ( 0.000 6.491 -6.731) 9.350 14.889 ( 0.000 15.198 3.059) 15.502 14.972 ( 0.000 19.700 -5.907) 20.566 15.786 ( 0.000 13.895 7.799) 15.934 15.854 ( 0.000 17.544 1.638) 17.620 15.913 ( 0.000 -0.784 10.580) 10.609 16.066 ( 0.000 -3.570 -5.209) 6.315 16.147 ( 0.000 3.775 -4.822) 6.124 16.177 ( 0.000 13.955 -7.792) 15.983 18.688 ( 0.000 -12.427 -0.207) 12.429 18.691 ( 0.000 -18.772 -0.501) 18.779 19.111 ( 0.000 -40.916 2.218) 40.976 19.155 ( 0.000 -41.574 -2.367) 41.641 19.780 ( 0.000 -14.471 9.425) 17.270 19.944 ( 0.000 -3.174 -7.986) 8.593 20.652 ( 0.000 29.389 2.489) 29.494 20.686 ( 0.000 21.834 0.191) 21.835 21.048 ( 0.000 11.824 6.586) 13.535 21.168 ( 0.000 7.807 -6.109) 9.913 21.417 ( 0.000 4.586 3.724) 5.907 21.452 ( 0.000 6.456 -0.518) 6.477 23.107 ( 0.000 -1.502 4.926) 5.150 23.218 ( 0.000 -2.829 -7.020) 7.569 23.854 ( 0.000 -7.788 8.386) 11.445 23.988 ( 0.000 -9.803 -5.799) 11.389 ======================= Grid point 156 (53/72) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 11.109 4.568 22.950) 25.903 1.450 ( 15.154 9.450 21.128) 27.665 1.712 ( 4.043 5.033 -20.763) 21.744 1.880 ( 11.161 3.694 -22.782) 25.637 2.349 ( -8.941 8.023 11.375) 16.544 2.452 ( 0.514 10.294 6.890) 12.398 2.566 ( 2.378 12.748 16.385) 20.896 2.693 ( -14.923 7.036 6.559) 17.754 2.834 ( -7.552 4.993 -1.876) 9.246 2.839 ( -1.694 5.168 -1.123) 5.553 2.885 ( -1.291 6.783 -1.067) 6.987 3.093 ( 5.419 8.511 -5.507) 11.495 3.149 ( 5.228 9.726 -7.739) 13.484 3.218 ( 1.042 5.121 -4.109) 6.647 3.384 ( 3.246 4.496 2.958) 6.285 3.429 ( 3.663 5.926 -1.515) 7.130 3.547 ( 3.241 4.597 3.718) 6.742 3.679 ( 2.263 0.400 -10.229) 10.484 3.830 ( -1.912 -0.172 11.133) 11.297 4.051 ( -0.854 -0.486 -11.072) 11.115 4.387 ( -5.765 0.531 9.151) 10.828 4.529 ( -9.705 0.354 -4.844) 10.853 4.824 ( 2.658 8.870 3.463) 9.886 4.877 ( 1.405 19.776 -1.308) 19.869 4.936 ( -1.540 11.002 0.370) 11.116 4.973 ( 0.269 16.398 -3.747) 16.822 5.118 ( -0.651 20.606 0.023) 20.617 5.144 ( 0.600 16.726 -2.741) 16.960 5.700 ( 2.817 2.121 1.676) 3.905 5.764 ( 4.680 -0.245 -5.127) 6.946 6.191 ( -0.158 -3.526 3.098) 4.696 6.214 ( -0.779 -3.939 0.958) 4.128 6.851 ( -2.250 1.710 4.032) 4.924 6.918 ( -2.074 1.382 -1.989) 3.189 7.043 ( 3.545 0.181 0.395) 3.572 7.107 ( 1.811 0.617 -4.926) 5.285 7.315 ( 12.855 -6.463 4.665) 15.126 7.408 ( 12.329 -6.530 -5.996) 15.185 7.771 ( -3.091 -1.055 8.731) 9.322 7.883 ( -7.368 -2.130 -2.920) 8.207 8.365 ( -6.002 -2.783 5.315) 8.486 8.468 ( -4.895 -2.029 -5.590) 7.702 8.877 ( 3.843 17.509 1.131) 17.961 8.936 ( 2.605 18.882 -5.249) 19.771 9.354 ( -2.457 -7.141 4.214) 8.648 9.428 ( -4.091 -7.875 -3.277) 9.460 9.867 ( 1.992 -5.559 0.664) 5.942 9.900 ( 1.455 -3.935 -2.469) 4.868 10.298 ( 2.777 6.329 3.692) 7.836 10.359 ( 1.103 1.158 -2.672) 3.113 10.613 ( -2.084 5.638 3.076) 6.752 10.670 ( -4.304 4.548 -1.430) 6.423 10.755 ( -0.111 3.442 6.251) 7.137 10.880 ( -1.706 2.834 -6.714) 7.485 11.060 ( -4.743 2.277 7.090) 8.828 11.261 ( -9.414 13.795 -12.194) 20.679 11.305 ( 4.565 -6.993 1.573) 8.498 11.369 ( 0.819 3.091 -4.747) 5.723 11.586 ( -2.849 5.746 3.066) 7.109 11.671 ( -4.695 8.319 -5.040) 10.800 12.135 ( 7.409 0.995 0.248) 7.479 12.143 ( 7.151 0.134 -0.637) 7.180 12.308 ( 3.920 0.116 3.578) 5.309 12.331 ( 8.174 1.798 0.506) 8.385 12.588 ( 0.218 -11.174 8.702) 14.165 12.723 ( -1.680 -16.355 -2.966) 16.706 13.064 ( -5.859 -25.099 4.975) 26.250 13.214 ( -9.091 -22.168 -10.850) 26.302 13.681 ( 5.870 -16.962 3.359) 18.260 13.812 ( 2.801 -15.096 -9.520) 18.065 14.109 ( -1.063 5.564 6.043) 8.283 14.238 ( -1.320 5.692 -7.301) 9.351 14.916 ( 2.425 15.501 2.818) 15.941 14.986 ( 1.047 17.802 -4.354) 18.357 15.768 ( -1.492 18.640 6.589) 19.827 15.846 ( -1.470 19.645 -0.623) 19.710 15.923 ( 0.688 0.084 9.577) 9.602 16.002 ( -3.461 -0.950 2.770) 4.534 16.152 ( 0.815 2.098 -5.326) 5.782 16.204 ( 0.792 4.737 -9.049) 10.244 18.718 ( 3.003 -14.283 0.362) 14.599 18.735 ( 3.621 -18.409 -1.408) 18.814 19.100 ( -1.005 -40.478 1.713) 40.527 19.136 ( -1.813 -40.846 -1.954) 40.933 19.795 ( 1.565 -13.413 9.589) 16.562 19.944 ( -0.254 -3.511 -5.591) 6.607 20.647 ( -1.007 29.811 3.027) 29.982 20.698 ( 0.444 26.372 -1.862) 26.442 20.875 ( -14.245 4.239 13.554) 20.115 21.078 ( -9.813 0.512 -8.110) 12.741 21.257 ( -6.712 18.208 5.664) 20.215 21.361 ( -7.498 11.784 -5.115) 14.875 23.185 ( 6.111 -2.726 5.611) 8.733 23.307 ( 4.641 -4.161 -7.394) 9.671 23.959 ( 8.511 -9.304 3.745) 13.154 24.045 ( 4.801 -10.414 -4.807) 12.434 ======================= Grid point 157 (54/72) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 15.349 7.181 12.337) 20.961 1.743 ( 8.174 4.848 5.329) 10.896 1.811 ( 6.007 7.261 0.522) 9.438 1.988 ( -7.069 3.480 -1.751) 8.071 2.232 ( 7.384 5.798 -2.115) 9.624 2.325 ( -7.147 4.465 -6.971) 10.936 2.393 ( -11.059 3.208 1.313) 11.589 2.511 ( -13.552 2.603 -8.385) 16.147 2.854 ( 1.973 4.862 4.965) 7.223 2.864 ( 0.336 3.700 3.670) 5.223 3.012 ( 22.705 18.421 19.888) 35.361 3.159 ( 3.099 4.050 3.673) 6.285 3.191 ( -1.846 3.890 1.092) 4.442 3.358 ( 9.688 11.849 -12.043) 19.476 3.437 ( -0.049 4.462 2.330) 5.034 3.486 ( 1.717 6.768 -2.126) 7.299 3.552 ( -6.201 7.384 4.007) 10.442 3.580 ( -13.526 5.873 2.557) 14.966 3.775 ( 3.821 3.871 -3.447) 6.439 3.934 ( -9.710 4.110 -11.149) 15.345 4.361 ( 2.196 -2.305 1.408) 3.481 4.403 ( -2.654 -2.459 -2.142) 4.204 4.869 ( 1.383 9.719 1.795) 9.979 4.889 ( -0.584 9.944 -0.151) 9.962 4.963 ( 4.385 19.781 1.297) 20.302 5.006 ( 3.318 16.521 -3.147) 17.143 5.062 ( -4.145 21.958 0.536) 22.352 5.103 ( -4.359 17.431 -3.438) 18.294 5.781 ( 4.430 -0.611 1.325) 4.664 5.829 ( 0.572 -2.015 -3.719) 4.269 6.177 ( -0.325 -3.507 3.074) 4.675 6.192 ( -1.272 -3.860 1.314) 4.271 6.865 ( 2.639 3.617 1.723) 4.798 6.902 ( -0.412 3.143 -2.213) 3.866 7.089 ( 0.523 0.655 0.382) 0.921 7.114 ( -1.558 0.881 -2.220) 2.851 7.535 ( 9.747 -2.717 4.644) 11.133 7.620 ( 8.096 -5.023 -4.263) 10.437 7.721 ( -8.148 -2.523 1.148) 8.606 7.727 ( -2.210 -4.733 0.515) 5.249 8.317 ( 1.038 -8.353 2.605) 8.811 8.374 ( -4.095 -7.361 -3.316) 9.053 8.979 ( 5.253 19.875 0.029) 20.558 8.999 ( 2.916 18.749 -2.057) 19.085 9.272 ( -3.537 -5.504 0.712) 6.581 9.311 ( -6.525 -3.798 -3.449) 8.300 9.902 ( 1.226 0.091 0.501) 1.328 9.915 ( -0.033 1.365 -0.762) 1.563 10.351 ( 1.767 0.787 3.042) 3.605 10.368 ( -0.287 1.027 1.749) 2.048 10.603 ( 1.233 9.215 2.630) 9.662 10.632 ( -0.244 8.445 0.459) 8.461 10.716 ( -1.323 5.370 1.958) 5.867 10.779 ( -6.330 5.133 -3.697) 8.949 11.013 ( 0.213 0.802 0.973) 1.279 11.083 ( -6.925 7.050 -5.689) 11.403 11.425 ( 5.697 -6.153 -0.936) 8.438 11.440 ( 5.976 -2.283 -2.145) 6.748 11.528 ( -3.159 1.077 1.991) 3.886 11.576 ( -5.434 3.167 -2.398) 6.731 12.230 ( 3.186 0.173 3.394) 4.658 12.256 ( 1.514 -0.126 3.025) 3.386 12.399 ( 5.699 1.706 0.143) 5.951 12.462 ( 1.904 -0.470 -3.802) 4.278 12.650 ( 5.063 -9.517 1.791) 10.928 12.692 ( -0.596 -12.557 -2.055) 12.738 12.950 ( -3.458 -26.982 2.452) 27.313 13.020 ( -9.155 -25.148 -5.185) 27.260 13.775 ( 4.096 -13.243 4.272) 14.506 13.839 ( -1.431 -12.128 -0.827) 12.240 14.123 ( 2.889 1.749 -1.481) 3.688 14.192 ( -3.220 3.109 -7.122) 8.411 14.967 ( 2.330 15.198 1.858) 15.487 14.996 ( -0.367 15.291 -0.935) 15.323 15.750 ( 0.193 23.178 2.944) 23.365 15.786 ( -3.301 24.396 -0.914) 24.635 15.945 ( 1.443 -1.468 9.015) 9.247 15.969 ( -0.873 -1.504 7.399) 7.601 16.174 ( 1.338 -0.474 -5.996) 6.162 16.199 ( -0.974 -0.243 -7.683) 7.749 18.785 ( 2.920 -16.633 0.376) 16.891 18.799 ( 1.834 -18.795 -1.095) 18.916 19.079 ( -0.625 -39.491 0.389) 39.498 19.093 ( -1.960 -39.428 -0.950) 39.488 19.844 ( 3.352 -10.243 9.052) 14.074 19.915 ( -3.002 -5.999 3.114) 7.395 20.583 ( -2.799 24.948 2.133) 25.195 20.624 ( -5.003 32.279 -1.694) 32.708 20.782 ( 2.456 5.103 4.394) 7.168 20.872 ( -7.571 -1.223 -3.921) 8.613 21.199 ( -0.192 20.041 0.168) 20.042 21.241 ( -4.293 17.381 -3.810) 18.305 23.293 ( 4.219 -3.696 2.848) 6.290 23.343 ( -0.643 -4.173 -2.300) 4.808 24.100 ( 4.502 -10.273 -0.715) 11.239 24.124 ( 1.967 -10.833 -3.020) 11.417 ======================= Grid point 160 (55/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 19.647 14.049) 24.153 1.646 ( 0.000 19.817 8.845) 21.701 1.779 ( 0.000 11.501 -14.504) 18.511 2.002 ( 0.000 18.133 -17.701) 25.340 2.603 ( 0.000 5.967 3.202) 6.771 2.641 ( 0.000 5.162 -0.984) 5.255 2.916 ( 0.000 16.370 10.269) 19.324 3.019 ( 0.000 23.861 22.575) 32.848 3.031 ( 0.000 6.886 -4.077) 8.002 3.121 ( 0.000 6.467 3.300) 7.261 3.126 ( 0.000 8.993 2.693) 9.387 3.142 ( 0.000 2.248 4.422) 4.961 3.242 ( 0.000 8.457 -5.436) 10.054 3.368 ( 0.000 13.546 -11.354) 17.675 3.452 ( 0.000 1.864 2.766) 3.335 3.506 ( 0.000 6.118 -4.209) 7.426 3.615 ( 0.000 7.899 1.454) 8.032 3.708 ( 0.000 10.934 -9.527) 14.502 3.901 ( 0.000 9.161 8.514) 12.506 4.095 ( 0.000 7.422 -10.665) 12.993 4.471 ( 0.000 1.739 10.701) 10.841 4.687 ( 0.000 3.029 -11.360) 11.757 4.853 ( 0.000 1.212 5.568) 5.698 4.958 ( 0.000 -0.197 -5.258) 5.262 5.418 ( 0.000 21.736 -0.317) 21.738 5.425 ( 0.000 19.047 -1.238) 19.087 5.617 ( 0.000 32.389 2.880) 32.517 5.656 ( 0.000 31.584 -1.468) 31.618 5.790 ( 0.000 6.803 0.650) 6.834 5.791 ( 0.000 7.856 -0.368) 7.865 6.200 ( 0.000 6.731 0.706) 6.768 6.216 ( 0.000 8.305 -1.560) 8.451 6.945 ( 0.000 1.955 3.326) 3.858 6.959 ( 0.000 2.394 3.025) 3.858 7.044 ( 0.000 2.196 2.028) 2.989 7.072 ( 0.000 -1.508 -1.653) 2.237 7.121 ( 0.000 4.187 -6.007) 7.322 7.140 ( 0.000 -2.130 -7.771) 8.058 7.832 ( 0.000 2.360 7.378) 7.747 7.919 ( 0.000 -1.563 -1.465) 2.142 8.478 ( 0.000 2.628 4.321) 5.057 8.556 ( 0.000 2.615 -4.052) 4.822 9.139 ( 0.000 10.824 1.603) 10.942 9.163 ( 0.000 -1.049 0.086) 1.052 9.197 ( 0.000 -5.260 6.625) 8.459 9.291 ( 0.000 1.195 -4.656) 4.806 9.699 ( 0.000 -6.412 0.306) 6.420 9.752 ( 0.000 -0.868 -5.544) 5.612 10.325 ( 0.000 -6.401 2.531) 6.883 10.372 ( 0.000 -3.878 -1.016) 4.009 10.748 ( 0.000 1.100 7.058) 7.143 10.800 ( 0.000 8.204 -3.765) 9.027 10.805 ( 0.000 1.528 2.634) 3.045 10.972 ( 0.000 7.846 -10.846) 13.386 11.065 ( 0.000 -6.112 4.026) 7.318 11.134 ( 0.000 -1.243 -1.434) 1.898 11.358 ( 0.000 -4.443 9.024) 10.058 11.601 ( 0.000 -8.914 -15.221) 17.639 11.889 ( 0.000 10.472 7.505) 12.884 11.900 ( 0.000 -12.685 4.160) 13.350 11.956 ( 0.000 -7.934 -2.606) 8.351 12.023 ( 0.000 9.341 -5.878) 11.037 12.202 ( 0.000 -7.082 3.782) 8.028 12.235 ( 0.000 -1.012 -0.653) 1.204 12.310 ( 0.000 -8.406 8.950) 12.278 12.360 ( 0.000 -13.741 4.048) 14.325 12.700 ( 0.000 -12.087 8.544) 14.802 13.025 ( 0.000 -8.497 -25.977) 27.332 13.340 ( 0.000 -3.567 15.037) 15.454 13.719 ( 0.000 3.787 -25.540) 25.819 14.197 ( 0.000 0.400 5.005) 5.021 14.304 ( 0.000 -0.539 -6.050) 6.074 15.147 ( 0.000 10.888 4.962) 11.965 15.276 ( 0.000 10.142 -8.343) 13.133 15.843 ( 0.000 -5.489 6.685) 8.650 15.943 ( 0.000 -6.767 -3.479) 7.609 15.958 ( 0.000 6.987 9.742) 11.989 16.110 ( 0.000 6.637 -6.274) 9.133 16.406 ( 0.000 19.945 7.138) 21.184 16.595 ( 0.000 21.595 -13.869) 25.665 18.247 ( 0.000 -24.468 2.120) 24.560 18.297 ( 0.000 -27.454 -3.325) 27.654 18.344 ( 0.000 -36.104 1.629) 36.141 18.401 ( 0.000 -33.502 -5.092) 33.887 19.560 ( 0.000 -7.103 18.749) 20.049 19.879 ( 0.000 -3.276 -15.456) 15.799 20.664 ( 0.000 -14.491 21.031) 25.540 20.895 ( 0.000 -4.581 -6.056) 7.594 21.384 ( 0.000 17.736 0.235) 17.737 21.404 ( 0.000 17.560 -1.666) 17.639 21.684 ( 0.000 18.067 1.371) 18.119 21.703 ( 0.000 15.686 -0.667) 15.701 23.090 ( 0.000 -0.138 2.458) 2.462 23.157 ( 0.000 -2.957 -4.771) 5.613 23.647 ( 0.000 -12.656 6.232) 14.107 23.742 ( 0.000 -14.479 -3.947) 15.007 ======================= Grid point 161 (56/72) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 11.157 17.390 13.160) 24.496 1.736 ( 8.104 16.561 6.194) 19.450 1.860 ( 7.395 12.337 -10.527) 17.825 2.076 ( 6.526 14.274 -17.361) 23.404 2.483 ( -10.626 8.542 5.606) 14.741 2.581 ( -6.257 6.410 -4.408) 9.983 2.820 ( -16.910 5.859 5.420) 18.699 2.891 ( -10.235 6.900 0.177) 12.344 2.965 ( -0.977 8.183 0.961) 8.297 2.990 ( -1.042 12.240 3.532) 12.782 3.167 ( 8.897 19.651 13.307) 25.345 3.219 ( -0.128 9.702 8.718) 13.044 3.307 ( 0.042 4.519 -2.789) 5.311 3.441 ( 7.667 6.487 -1.840) 10.210 3.486 ( 3.880 8.617 -3.431) 10.054 3.554 ( 5.862 10.363 -4.337) 12.671 3.689 ( 2.809 9.524 1.474) 10.039 3.773 ( 4.894 9.366 -8.695) 13.685 3.911 ( 0.851 8.425 9.761) 12.922 4.118 ( 1.345 7.354 -9.730) 12.270 4.426 ( -3.925 3.345 7.914) 9.446 4.583 ( -8.663 5.145 -6.779) 12.144 4.885 ( 2.511 1.325 1.830) 3.378 4.952 ( -0.362 0.601 -4.481) 4.535 5.431 ( 2.055 22.421 0.653) 22.524 5.454 ( 2.258 22.315 -1.823) 22.502 5.647 ( 1.480 30.680 1.057) 30.734 5.656 ( -1.185 29.038 -0.252) 29.063 5.785 ( 0.165 6.480 -0.306) 6.489 5.799 ( 1.576 8.624 -1.908) 8.972 6.163 ( -2.760 4.743 1.998) 5.841 6.192 ( -2.588 5.087 -1.084) 5.810 6.913 ( 0.936 4.615 3.599) 5.927 6.976 ( 0.559 4.562 -2.555) 5.259 7.067 ( 2.989 2.508 1.673) 4.246 7.124 ( 2.108 0.232 -2.948) 3.632 7.238 ( 11.691 -0.581 0.385) 11.711 7.298 ( 11.453 -3.671 -5.543) 13.243 7.765 ( -5.496 0.815 5.862) 8.076 7.849 ( -6.775 -0.826 -2.697) 7.339 8.353 ( -9.116 1.403 6.559) 11.317 8.462 ( -8.519 0.976 -5.079) 9.966 9.149 ( 0.539 0.277 0.152) 0.625 9.153 ( 0.243 1.652 -0.019) 1.670 9.253 ( 3.433 3.945 4.815) 7.109 9.351 ( 3.791 3.547 -5.685) 7.699 9.745 ( 5.265 -3.901 3.168) 7.279 9.825 ( 5.242 -0.931 -4.721) 7.116 10.325 ( -0.505 -4.983 2.947) 5.811 10.363 ( -0.006 -4.636 -0.662) 4.683 10.758 ( -1.582 2.748 0.964) 3.314 10.790 ( 1.602 3.568 7.759) 8.689 10.808 ( 0.768 3.088 -1.547) 3.538 10.956 ( -2.194 8.994 -4.992) 10.518 11.093 ( 3.128 -8.313 0.629) 8.904 11.138 ( 0.235 2.907 -2.045) 3.562 11.366 ( 0.410 1.034 4.727) 4.856 11.542 ( -5.989 -1.120 -12.340) 13.762 11.712 ( -10.628 2.566 4.234) 11.724 11.775 ( -8.789 -0.942 -2.295) 9.133 12.028 ( 1.354 -16.101 4.034) 16.654 12.063 ( 2.301 -12.065 -0.202) 12.284 12.167 ( -1.893 -11.669 5.816) 13.175 12.228 ( 0.554 -4.447 -1.338) 4.677 12.354 ( 3.921 -10.189 4.296) 11.732 12.443 ( 5.922 -2.198 -3.249) 7.103 12.712 ( 0.079 -5.951 9.282) 11.026 12.906 ( -8.047 -5.465 -9.315) 13.468 13.467 ( 8.222 -5.092 1.716) 9.822 13.705 ( -0.533 2.109 -21.059) 21.171 14.148 ( -3.727 -0.890 5.722) 6.887 14.279 ( -2.753 -0.949 -8.016) 8.529 15.186 ( 3.345 11.320 4.365) 12.585 15.287 ( 0.809 10.888 -5.937) 12.427 15.853 ( 0.972 -5.203 5.800) 7.852 15.918 ( -1.169 -4.227 1.243) 4.558 16.017 ( 4.489 5.509 4.803) 8.577 16.132 ( 2.207 6.667 -5.577) 8.968 16.371 ( -3.269 19.661 5.484) 20.671 16.509 ( -7.774 20.919 -9.370) 24.204 18.272 ( 2.014 -26.767 1.099) 26.866 18.310 ( 1.136 -29.677 -2.968) 29.847 18.344 ( 0.037 -33.656 1.058) 33.673 18.396 ( -0.532 -32.243 -4.934) 32.623 19.591 ( 3.128 -6.748 18.470) 19.912 19.869 ( -1.494 -3.961 -9.439) 10.345 20.614 ( -3.891 -12.980 17.546) 22.169 20.861 ( -4.165 -7.651 -8.505) 12.175 21.301 ( -5.784 21.690 -0.189) 22.449 21.313 ( -6.679 21.352 -1.460) 22.420 21.659 ( -1.908 20.230 1.189) 20.354 21.680 ( -2.262 17.376 -1.007) 17.552 23.130 ( 3.710 -2.363 3.650) 5.716 23.211 ( 3.130 -4.978 -4.967) 7.697 23.721 ( 6.362 -13.965 3.878) 15.828 23.788 ( 3.877 -14.925 -3.150) 15.738 ======================= Grid point 162 (57/72) ======================= q-point: ( 0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 16.372 14.794 9.302) 23.946 1.917 ( 8.096 12.457 3.767) 15.326 2.007 ( 4.712 12.323 -1.259) 13.253 2.138 ( -8.779 11.223 -2.617) 14.487 2.318 ( 2.701 4.503 -4.695) 7.044 2.435 ( -6.487 7.109 -9.641) 13.622 2.531 ( -8.946 9.600 2.259) 13.315 2.617 ( -13.433 7.041 -6.869) 16.649 2.982 ( 0.891 8.219 3.413) 8.944 2.990 ( 0.182 8.909 3.183) 9.462 3.217 ( 1.375 2.977 4.010) 5.180 3.262 ( -2.714 2.715 -0.503) 3.872 3.445 ( 15.053 20.574 12.506) 28.395 3.565 ( 3.602 9.176 3.823) 10.572 3.594 ( 4.776 9.198 -3.423) 10.915 3.640 ( 1.733 9.767 -1.942) 10.108 3.706 ( 0.002 10.420 3.661) 11.045 3.803 ( -6.513 14.006 5.073) 16.258 3.929 ( 4.705 10.799 -1.980) 11.945 4.072 ( -6.557 9.629 -5.660) 12.952 4.381 ( 0.429 4.251 -1.077) 4.406 4.430 ( -5.068 5.409 -4.420) 8.631 4.932 ( 1.794 1.380 -0.486) 2.315 4.949 ( -0.151 1.146 -2.206) 2.491 5.491 ( 3.730 25.854 0.518) 26.127 5.516 ( 3.273 26.694 -2.111) 26.977 5.599 ( -3.357 23.846 0.331) 24.083 5.623 ( -3.471 26.097 -2.112) 26.412 5.817 ( 2.368 10.153 -0.206) 10.427 5.837 ( 0.899 9.732 -2.304) 10.042 6.121 ( -0.937 0.578 2.203) 2.462 6.136 ( -2.311 1.134 0.699) 2.668 6.970 ( 3.587 6.917 2.138) 8.080 7.002 ( 0.900 6.933 -1.262) 7.104 7.115 ( 1.298 2.073 1.108) 2.685 7.138 ( -0.793 1.561 -0.995) 2.014 7.481 ( 11.244 -2.309 0.613) 11.495 7.514 ( 8.858 -4.436 -2.809) 10.298 7.659 ( -4.879 -1.561 1.404) 5.311 7.690 ( -8.252 -0.186 -1.635) 8.414 8.222 ( -2.409 -1.919 3.400) 4.588 8.283 ( -7.730 -2.369 -3.079) 8.651 9.156 ( 0.426 -2.596 -0.114) 2.633 9.162 ( 0.035 -4.300 -0.712) 4.359 9.324 ( 3.649 13.333 0.997) 13.859 9.378 ( -1.117 10.131 -4.715) 11.230 9.858 ( 3.976 -2.344 1.842) 4.969 9.888 ( 0.593 -2.109 -1.435) 2.619 10.337 ( 2.877 -3.122 5.998) 7.349 10.382 ( 0.335 -1.370 2.186) 2.602 10.742 ( 0.583 -0.477 3.055) 3.147 10.777 ( -2.632 -1.215 -0.528) 2.947 10.845 ( 2.184 8.116 5.110) 9.836 10.902 ( -3.106 10.813 -0.607) 11.267 11.130 ( 2.327 8.883 -2.644) 9.556 11.178 ( 1.021 -1.178 -6.106) 6.301 11.369 ( -0.564 1.212 -1.477) 1.992 11.393 ( -5.781 1.758 -4.346) 7.443 11.567 ( -2.096 -0.939 3.211) 3.948 11.624 ( -6.070 -0.817 -2.246) 6.523 12.060 ( 2.347 -23.281 4.575) 23.842 12.095 ( 0.156 -21.615 2.333) 21.741 12.147 ( 0.644 -21.336 1.578) 21.403 12.201 ( -3.062 -17.045 -2.505) 17.498 12.472 ( 7.281 -3.854 4.539) 9.406 12.570 ( 4.177 0.654 -4.273) 6.011 12.655 ( -2.841 1.007 4.487) 5.405 12.762 ( -7.087 2.146 -5.553) 9.255 13.599 ( 5.760 -4.441 0.268) 7.278 13.692 ( -2.466 -2.344 -8.049) 8.738 14.116 ( 1.740 -2.098 -1.224) 2.988 14.197 ( -5.044 -1.939 -8.620) 10.174 15.254 ( 2.973 12.055 2.648) 12.695 15.291 ( -0.697 11.985 -1.039) 12.050 15.876 ( 1.151 -4.608 3.783) 6.072 15.897 ( -1.029 -4.453 2.131) 5.043 16.129 ( 6.459 6.639 2.031) 9.482 16.187 ( 2.495 4.410 -3.876) 6.379 16.294 ( -3.636 21.270 2.576) 21.732 16.339 ( -7.843 20.449 -2.010) 21.993 18.308 ( 1.376 -32.592 0.388) 32.623 18.324 ( -0.165 -36.693 -0.240) 36.694 18.355 ( 1.279 -25.684 -2.678) 25.855 18.380 ( -1.039 -28.684 -4.370) 29.034 19.681 ( 5.754 -6.064 16.192) 18.222 19.800 ( -5.424 -5.348 6.494) 10.009 20.589 ( 2.831 -8.546 1.607) 9.145 20.719 ( -8.805 -8.589 -9.725) 15.680 21.222 ( -1.403 24.367 0.311) 24.409 21.230 ( -1.952 23.618 -0.512) 23.704 21.626 ( -0.963 20.991 0.427) 21.017 21.634 ( -1.739 19.841 -0.384) 19.921 23.204 ( 3.051 -4.908 2.028) 6.124 23.239 ( -0.338 -5.895 -1.652) 6.131 23.835 ( 3.857 -15.500 0.306) 15.976 23.854 ( 1.783 -15.615 -1.577) 15.795 ======================= Grid point 165 (58/72) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 0.000 25.353 3.385) 25.578 2.004 ( 0.000 19.104 -10.419) 21.761 2.155 ( 0.000 21.751 8.685) 23.421 2.371 ( 0.000 18.126 -12.834) 22.210 2.751 ( 0.000 8.619 0.995) 8.677 2.766 ( 0.000 7.263 -0.526) 7.282 3.133 ( 0.000 9.875 3.373) 10.435 3.146 ( 0.000 0.482 4.845) 4.869 3.174 ( 0.000 7.027 -1.369) 7.159 3.212 ( 0.000 3.293 0.559) 3.340 3.271 ( 0.000 3.709 6.413) 7.408 3.398 ( 0.000 5.630 -5.256) 7.702 3.464 ( 0.000 2.926 -3.516) 4.574 3.490 ( 0.000 5.933 -0.142) 5.935 3.582 ( 0.000 23.017 14.703) 27.312 3.707 ( 0.000 10.442 -1.156) 10.506 3.824 ( 0.000 14.147 4.679) 14.901 3.992 ( 0.000 14.530 -8.682) 16.926 4.116 ( 0.000 11.102 8.743) 14.131 4.323 ( 0.000 14.818 -10.655) 18.251 4.535 ( 0.000 4.892 11.273) 12.289 4.784 ( 0.000 6.516 -13.009) 14.550 4.892 ( 0.000 3.214 1.533) 3.561 4.958 ( 0.000 0.542 -4.802) 4.833 5.621 ( 0.000 4.431 0.541) 4.464 5.650 ( 0.000 5.552 -2.653) 6.153 5.825 ( 0.000 -1.593 3.510) 3.854 5.876 ( 0.000 -0.251 -1.868) 1.885 6.296 ( 0.000 33.151 1.849) 33.202 6.314 ( 0.000 30.562 -0.116) 30.563 6.600 ( 0.000 29.812 0.832) 29.823 6.623 ( 0.000 28.345 -1.388) 28.379 6.997 ( 0.000 3.613 4.716) 5.941 7.031 ( 0.000 4.565 1.644) 4.852 7.103 ( 0.000 5.915 -1.761) 6.171 7.114 ( 0.000 5.039 -3.692) 6.246 7.170 ( 0.000 5.488 -1.016) 5.581 7.228 ( 0.000 6.293 -7.864) 10.072 7.914 ( 0.000 6.202 1.751) 6.444 7.914 ( 0.000 1.394 2.466) 2.832 8.561 ( 0.000 5.001 3.440) 6.070 8.606 ( 0.000 1.974 -2.117) 2.894 9.044 ( 0.000 -4.379 4.883) 6.559 9.097 ( 0.000 -0.887 0.114) 0.895 9.315 ( 0.000 4.346 2.435) 4.981 9.382 ( 0.000 3.499 -4.599) 5.779 9.692 ( 0.000 5.354 6.002) 8.043 9.817 ( 0.000 6.475 -7.543) 9.941 10.168 ( 0.000 -10.212 4.984) 11.363 10.252 ( 0.000 -6.397 -2.183) 6.759 10.546 ( 0.000 -18.827 3.926) 19.232 10.619 ( 0.000 -24.215 -4.747) 24.676 10.777 ( 0.000 -7.451 7.744) 10.747 10.965 ( 0.000 -15.486 -10.450) 18.682 10.989 ( 0.000 -23.478 4.143) 23.840 11.061 ( 0.000 -9.577 -5.124) 10.862 11.206 ( 0.000 0.741 2.071) 2.199 11.248 ( 0.000 -7.188 -3.345) 7.928 11.583 ( 0.000 -12.811 10.131) 16.333 11.750 ( 0.000 -3.928 -7.562) 8.521 11.951 ( 0.000 1.749 22.415) 22.483 12.138 ( 0.000 1.544 2.616) 3.038 12.244 ( 0.000 0.032 1.374) 1.375 12.313 ( 0.000 11.843 2.256) 12.056 12.352 ( 0.000 14.118 -2.144) 14.280 12.355 ( 0.000 5.553 -6.961) 8.904 12.674 ( 0.000 6.977 7.723) 10.408 12.946 ( 0.000 -0.781 -23.514) 23.527 13.348 ( 0.000 2.839 18.437) 18.655 13.810 ( 0.000 3.829 -29.421) 29.669 14.176 ( 0.000 -1.903 4.034) 4.460 14.258 ( 0.000 -3.512 -4.142) 5.430 15.312 ( 0.000 6.045 -1.151) 6.154 15.363 ( 0.000 -0.830 -5.419) 5.482 15.714 ( 0.000 -7.056 2.556) 7.505 15.784 ( 0.000 -9.047 -4.059) 9.915 16.102 ( 0.000 6.180 8.313) 10.359 16.241 ( 0.000 5.875 -6.650) 8.873 16.742 ( 0.000 11.523 7.606) 13.807 16.897 ( 0.000 6.191 -9.418) 11.270 17.678 ( 0.000 -28.192 -0.108) 28.192 17.695 ( 0.000 -27.667 -2.613) 27.790 17.830 ( 0.000 -18.051 0.650) 18.063 17.842 ( 0.000 -24.457 -0.505) 24.462 19.482 ( 0.000 -1.526 18.533) 18.595 19.816 ( 0.000 -3.123 -16.892) 17.178 20.354 ( 0.000 -15.117 26.413) 30.433 20.698 ( 0.000 -12.654 -11.775) 17.285 21.644 ( 0.000 8.939 1.989) 9.158 21.693 ( 0.000 10.315 -3.193) 10.798 21.996 ( 0.000 13.213 1.928) 13.353 22.028 ( 0.000 15.513 -1.475) 15.583 23.096 ( 0.000 0.428 0.147) 0.452 23.109 ( 0.000 -2.103 -1.329) 2.488 23.379 ( 0.000 -13.743 3.768) 14.250 23.438 ( 0.000 -15.770 -2.530) 15.971 ======================= Grid point 166 (59/72) ======================= q-point: ( 0.20 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 6.552 22.809 4.946) 24.241 2.070 ( 6.325 18.175 -8.367) 20.984 2.194 ( 3.670 18.882 5.678) 20.055 2.377 ( 0.238 15.029 -11.629) 19.004 2.686 ( -7.039 11.169 2.599) 13.455 2.730 ( -3.914 8.181 -2.019) 9.291 2.919 ( -14.086 4.896 4.669) 15.627 2.993 ( -11.884 4.861 -2.596) 13.100 3.147 ( 0.349 9.495 2.616) 9.856 3.196 ( -0.526 8.625 -1.686) 8.803 3.308 ( -5.290 5.518 1.987) 7.898 3.358 ( -1.647 1.526 -2.345) 3.246 3.503 ( 8.140 5.005 4.699) 10.648 3.581 ( 8.448 5.291 -3.462) 10.552 3.730 ( 8.529 22.872 13.241) 27.771 3.812 ( 7.645 11.719 1.801) 14.108 3.890 ( 2.287 10.663 1.734) 11.042 4.014 ( 3.811 12.773 -6.833) 14.979 4.110 ( -0.163 10.562 9.402) 14.141 4.331 ( 0.448 13.566 -8.774) 16.163 4.518 ( -1.398 6.026 7.796) 9.952 4.724 ( -5.588 8.753 -9.916) 14.359 4.915 ( 1.995 2.151 -0.859) 3.057 4.963 ( 0.507 0.850 -4.645) 4.749 5.643 ( 1.887 3.015 0.030) 3.557 5.664 ( 1.361 4.391 -2.411) 5.191 5.818 ( -0.525 -1.623 2.389) 2.936 5.859 ( -1.534 0.013 -1.846) 2.400 6.312 ( 1.553 32.566 2.112) 32.671 6.337 ( 2.084 30.627 -0.582) 30.704 6.543 ( -4.786 29.337 1.317) 29.754 6.573 ( -4.444 29.753 -1.809) 30.137 7.025 ( 3.970 6.467 4.712) 8.933 7.092 ( 3.578 6.718 -1.954) 7.858 7.137 ( 3.648 3.921 1.108) 5.469 7.158 ( 2.144 6.651 -0.379) 6.998 7.256 ( 8.015 1.565 -1.775) 8.357 7.305 ( 8.140 4.353 -7.318) 11.780 7.811 ( -7.120 3.762 4.532) 9.241 7.876 ( -5.451 4.417 -2.231) 7.362 8.417 ( -10.686 5.013 5.541) 13.040 8.495 ( -10.570 2.328 -2.791) 11.177 9.061 ( 1.416 -3.830 2.478) 4.776 9.107 ( 0.249 -1.724 -1.889) 2.570 9.388 ( 6.065 4.719 2.288) 8.018 9.449 ( 5.348 4.466 -3.865) 7.968 9.765 ( 6.557 5.249 6.405) 10.563 9.871 ( 3.188 4.219 -4.474) 6.927 10.202 ( 2.880 -11.119 1.984) 11.656 10.218 ( -1.306 -5.826 1.139) 6.078 10.595 ( 1.807 -18.837 0.726) 18.937 10.634 ( 3.300 -20.207 -3.268) 20.734 10.746 ( -2.699 -10.345 6.736) 12.637 10.877 ( -1.593 -13.452 -4.907) 14.407 11.051 ( 2.128 -16.211 2.700) 16.571 11.124 ( 4.300 -12.280 -4.563) 13.788 11.264 ( 4.565 -1.470 1.375) 4.989 11.301 ( 5.123 -8.025 -3.083) 10.008 11.537 ( -4.980 -11.153 8.710) 15.002 11.686 ( -7.300 -2.169 -7.043) 10.373 11.861 ( -7.260 0.709 15.815) 17.416 11.971 ( -11.921 1.876 0.519) 12.079 12.009 ( -11.074 0.183 6.222) 12.703 12.249 ( -8.659 4.482 -8.560) 12.974 12.430 ( 6.642 10.403 3.872) 12.936 12.554 ( 10.563 11.190 -9.248) 17.953 12.734 ( 3.414 5.813 9.879) 11.960 12.895 ( -3.356 2.333 -6.865) 7.989 13.435 ( 6.687 0.933 6.969) 9.703 13.781 ( -2.750 3.861 -25.304) 25.745 14.108 ( -4.678 -2.477 4.262) 6.796 14.232 ( -3.069 -3.064 -7.850) 8.968 15.344 ( 2.931 4.370 0.421) 5.279 15.397 ( 2.596 1.170 -4.124) 5.012 15.728 ( 1.271 -7.089 1.324) 7.323 15.783 ( -0.135 -8.463 -3.548) 9.178 16.141 ( 3.747 5.558 6.767) 9.525 16.256 ( 1.341 5.425 -5.575) 7.893 16.713 ( -2.559 12.149 6.271) 13.910 16.829 ( -6.123 8.499 -6.271) 12.209 17.671 ( -0.635 -28.591 -0.183) 28.599 17.678 ( -1.183 -28.060 -1.029) 28.104 17.846 ( 1.164 -22.440 -0.041) 22.470 17.859 ( 1.373 -21.231 -1.433) 21.323 19.512 ( 3.037 -1.791 18.212) 18.551 19.793 ( -2.564 -3.601 -8.436) 9.524 20.349 ( 0.218 -13.006 17.472) 21.783 20.649 ( -4.877 -12.316 -12.441) 18.173 21.620 ( -1.754 11.155 1.309) 11.367 21.654 ( -3.011 12.458 -2.288) 13.020 21.985 ( -1.014 12.936 1.720) 13.090 22.013 ( -1.480 15.032 -1.221) 15.154 23.095 ( 0.558 -1.366 1.138) 1.864 23.122 ( 0.622 -4.093 -1.663) 4.461 23.439 ( 4.967 -13.865 2.501) 14.939 23.481 ( 3.529 -15.584 -1.934) 16.095 ======================= Grid point 167 (60/72) ======================= q-point: ( 0.40 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 12.278 16.374 7.350) 21.745 2.215 ( 6.672 17.073 0.430) 18.336 2.274 ( 1.263 13.791 0.575) 13.860 2.383 ( 0.477 11.667 -9.779) 15.230 2.454 ( -10.491 10.239 4.775) 15.417 2.606 ( -10.064 9.618 -9.261) 16.720 2.746 ( -3.499 12.172 -0.859) 12.694 2.774 ( -6.318 9.044 -3.799) 11.668 3.169 ( 1.521 9.984 2.963) 10.525 3.192 ( -0.280 11.000 1.302) 11.080 3.263 ( 0.270 2.293 1.890) 2.983 3.302 ( -2.973 1.979 -1.696) 3.953 3.674 ( 8.408 6.059 4.340) 11.236 3.745 ( 7.101 5.609 -3.359) 9.652 3.820 ( -5.537 9.570 2.267) 11.287 3.836 ( -0.518 11.907 1.673) 12.035 3.981 ( 7.988 17.414 10.107) 21.661 4.092 ( -1.385 14.094 8.318) 16.424 4.156 ( 7.260 11.434 0.504) 13.553 4.295 ( -5.092 11.941 -0.388) 12.988 4.514 ( 1.835 8.708 -3.470) 9.552 4.595 ( -6.159 10.345 -7.249) 14.054 4.955 ( 1.680 1.338 -2.754) 3.493 4.971 ( 0.027 1.289 -3.946) 4.151 5.682 ( 1.682 -0.023 -0.693) 1.819 5.693 ( 0.863 1.022 -1.940) 2.356 5.810 ( -0.049 -0.325 0.034) 0.331 5.826 ( -1.495 0.907 -1.543) 2.332 6.359 ( 3.235 31.704 2.337) 31.954 6.391 ( 3.393 31.570 -1.236) 31.776 6.442 ( -4.872 30.066 1.949) 30.520 6.475 ( -4.869 31.036 -1.592) 31.456 7.124 ( 4.648 7.910 3.334) 9.761 7.158 ( 2.107 8.239 -0.055) 8.504 7.177 ( 0.722 4.480 0.320) 4.549 7.190 ( 0.399 5.059 -0.477) 5.097 7.446 ( 9.523 -0.499 0.669) 9.560 7.495 ( 8.344 2.727 -4.247) 9.751 7.672 ( -5.502 2.828 3.006) 6.878 7.735 ( -7.889 5.323 -3.324) 10.081 8.240 ( -4.842 4.255 2.790) 7.024 8.281 ( -8.439 2.663 -1.467) 8.970 9.085 ( 0.971 -2.694 -0.450) 2.898 9.101 ( -0.664 -2.041 -2.007) 2.938 9.514 ( 5.492 6.164 0.832) 8.298 9.544 ( 2.974 6.429 -2.204) 7.419 9.844 ( 0.286 0.445 2.200) 2.263 9.871 ( -2.523 -0.073 -0.647) 2.606 10.243 ( 5.158 -7.457 5.829) 10.779 10.292 ( 2.216 -8.482 0.833) 8.806 10.600 ( 0.876 -14.903 2.777) 15.185 10.647 ( -2.904 -15.107 -0.440) 15.390 10.805 ( 7.392 -11.557 1.407) 13.791 10.887 ( 0.151 -14.608 -5.326) 15.549 11.118 ( 5.633 -3.889 5.824) 8.988 11.206 ( 3.892 -12.148 -2.658) 13.030 11.315 ( -2.416 -3.838 4.209) 6.187 11.366 ( -8.704 -7.249 2.475) 11.594 11.407 ( 2.794 -10.870 -1.726) 11.355 11.487 ( -8.204 -4.589 -5.852) 11.073 11.746 ( -2.206 -3.597 9.880) 10.744 11.792 ( -5.960 -2.978 8.732) 10.983 11.915 ( 2.021 0.562 -5.144) 5.556 12.048 ( -9.853 2.997 -11.173) 15.195 12.564 ( 6.713 8.980 8.541) 14.095 12.689 ( -4.548 8.177 7.704) 12.121 12.751 ( 6.847 8.590 -5.644) 12.350 12.857 ( -2.530 6.165 -4.685) 8.146 13.566 ( 6.569 0.379 0.767) 6.625 13.697 ( -5.945 1.617 -9.544) 11.360 14.068 ( 1.599 -2.109 -4.770) 5.456 14.146 ( -5.010 -2.641 -10.322) 11.774 15.407 ( 2.713 3.276 1.392) 4.475 15.432 ( 0.376 2.767 -0.701) 2.879 15.756 ( 1.363 -7.190 -1.297) 7.432 15.776 ( -0.603 -7.561 -2.857) 8.105 16.229 ( 4.283 4.226 2.792) 6.633 16.276 ( -0.117 4.151 -2.321) 4.758 16.666 ( -1.224 13.396 3.418) 13.880 16.702 ( -5.097 12.396 -0.405) 13.410 17.659 ( -0.295 -29.066 -0.042) 29.068 17.661 ( -0.473 -28.935 -0.226) 28.939 17.869 ( 0.931 -23.106 -0.823) 23.139 17.877 ( 0.228 -21.870 -1.763) 21.942 19.597 ( 5.333 -2.622 16.039) 17.104 19.710 ( -5.480 -3.650 7.736) 10.159 20.395 ( 4.729 -10.412 -0.725) 11.458 20.521 ( -7.215 -10.908 -10.855) 16.996 21.596 ( -0.432 13.795 0.437) 13.809 21.606 ( -1.474 14.388 -0.644) 14.478 21.967 ( -0.397 13.284 0.846) 13.317 21.979 ( -1.502 14.182 -0.421) 14.267 23.114 ( 1.004 -3.997 0.755) 4.190 23.127 ( -0.185 -5.222 -0.568) 5.256 23.527 ( 2.973 -14.950 0.590) 15.254 23.540 ( 1.619 -15.509 -0.754) 15.612 ======================= Grid point 170 (61/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 0.000 21.449 0.351) 21.452 2.394 ( 0.000 18.779 -6.615) 19.910 2.540 ( 0.000 16.229 6.202) 17.374 2.657 ( 0.000 9.276 -6.165) 11.137 2.915 ( 0.000 7.920 0.613) 7.944 2.941 ( 0.000 11.161 -2.524) 11.442 3.137 ( 0.000 -0.248 5.534) 5.540 3.226 ( 0.000 0.199 -4.105) 4.110 3.294 ( 0.000 2.314 5.408) 5.882 3.330 ( 0.000 6.987 3.271) 7.715 3.352 ( 0.000 8.538 4.945) 9.867 3.449 ( 0.000 0.311 -3.733) 3.746 3.556 ( 0.000 5.865 -3.306) 6.733 3.581 ( 0.000 4.324 -2.393) 4.942 3.908 ( 0.000 9.634 3.577) 10.277 3.947 ( 0.000 13.548 -0.268) 13.551 4.146 ( 0.000 14.446 4.907) 15.257 4.203 ( 0.000 7.220 -1.382) 7.351 4.341 ( 0.000 13.490 13.790) 19.292 4.614 ( 0.000 11.613 -12.520) 17.077 4.682 ( 0.000 11.390 13.415) 17.598 4.919 ( 0.000 6.211 -9.184) 11.086 4.986 ( 0.000 6.083 -4.560) 7.603 4.996 ( 0.000 3.876 -6.239) 7.345 5.683 ( 0.000 1.894 0.841) 2.072 5.705 ( 0.000 -0.307 -1.859) 1.885 5.784 ( 0.000 -0.650 4.137) 4.188 5.866 ( 0.000 1.629 -4.697) 4.972 6.780 ( 0.000 15.871 2.303) 16.037 6.807 ( 0.000 16.997 -0.409) 17.002 7.084 ( 0.000 12.017 1.186) 12.075 7.098 ( 0.000 7.221 9.833) 12.200 7.107 ( 0.000 11.850 -1.350) 11.927 7.228 ( 0.000 22.529 2.458) 22.663 7.294 ( 0.000 15.794 -2.988) 16.074 7.315 ( 0.000 14.631 -4.348) 15.263 7.367 ( 0.000 8.119 -8.500) 11.755 7.369 ( 0.000 14.165 -1.680) 14.264 7.981 ( 0.000 5.221 8.245) 9.759 8.076 ( 0.000 9.836 -2.560) 10.164 8.656 ( 0.000 4.693 -1.271) 4.862 8.656 ( 0.000 5.297 -0.346) 5.308 9.046 ( 0.000 4.341 7.542) 8.702 9.151 ( 0.000 5.565 -3.386) 6.514 9.393 ( 0.000 3.927 1.484) 4.198 9.443 ( 0.000 2.079 -4.416) 4.881 9.787 ( 0.000 -18.483 7.529) 19.957 9.831 ( 0.000 -3.307 7.444) 8.145 9.926 ( 0.000 -7.839 -6.298) 10.055 9.973 ( 0.000 -19.257 -7.596) 20.701 10.166 ( 0.000 -21.809 -2.362) 21.937 10.168 ( 0.000 -19.048 -2.313) 19.188 10.372 ( 0.000 -17.913 4.772) 18.538 10.425 ( 0.000 -11.239 -0.110) 11.240 10.757 ( 0.000 -7.348 12.302) 14.330 10.981 ( 0.000 -7.284 -9.558) 12.017 11.145 ( 0.000 -4.690 -0.188) 4.694 11.189 ( 0.000 -0.800 -7.205) 7.250 11.462 ( 0.000 -2.827 16.048) 16.295 11.713 ( 0.000 -3.403 -9.996) 10.560 12.010 ( 0.000 2.312 25.164) 25.270 12.238 ( 0.000 7.482 0.656) 7.511 12.285 ( 0.000 4.088 -0.789) 4.163 12.403 ( 0.000 -1.889 -10.244) 10.416 12.478 ( 0.000 6.578 8.954) 11.110 12.635 ( 0.000 13.109 -7.874) 15.292 12.933 ( 0.000 16.710 2.276) 16.864 13.024 ( 0.000 9.556 -10.060) 13.875 13.421 ( 0.000 4.285 17.137) 17.665 13.853 ( 0.000 0.880 -26.604) 26.619 14.143 ( 0.000 -1.044 2.664) 2.861 14.181 ( 0.000 -4.061 -0.573) 4.101 15.265 ( 0.000 -8.729 1.483) 8.855 15.387 ( 0.000 1.078 -11.243) 11.295 15.574 ( 0.000 -7.305 -4.590) 8.627 15.584 ( 0.000 -11.642 -2.464) 11.900 16.122 ( 0.000 -5.640 7.893) 9.701 16.287 ( 0.000 -1.967 -9.517) 9.719 16.675 ( 0.000 -25.987 1.143) 26.012 16.723 ( 0.000 -14.566 -3.060) 14.884 17.358 ( 0.000 -2.102 3.886) 4.418 17.395 ( 0.000 -5.333 2.506) 5.892 17.531 ( 0.000 -3.887 3.487) 5.222 17.599 ( 0.000 -5.225 -2.320) 5.717 19.480 ( 0.000 1.057 14.444) 14.483 19.758 ( 0.000 -2.749 -14.784) 15.037 20.099 ( 0.000 -10.484 23.784) 25.992 20.442 ( 0.000 -12.829 -13.248) 18.441 21.764 ( 0.000 3.923 2.341) 4.569 21.823 ( 0.000 3.758 -4.095) 5.558 22.196 ( 0.000 6.527 4.225) 7.775 22.264 ( 0.000 7.887 -3.101) 8.475 23.043 ( 0.000 -6.392 2.106) 6.730 23.082 ( 0.000 -4.498 -2.005) 4.925 23.156 ( 0.000 -6.490 0.376) 6.501 23.162 ( 0.000 -9.017 -0.148) 9.018 ======================= Grid point 171 (62/72) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 2.411 20.017 2.226) 20.284 2.436 ( 4.102 17.425 -6.242) 18.958 2.533 ( -0.210 14.662 4.227) 15.261 2.616 ( -3.866 8.323 -4.757) 10.337 2.862 ( -6.453 6.555 2.202) 9.458 2.907 ( -3.304 9.170 -2.629) 10.095 3.038 ( -5.815 7.265 4.332) 10.265 3.106 ( -7.198 7.233 -2.229) 10.445 3.291 ( -0.268 4.717 1.780) 5.049 3.337 ( -0.161 4.693 -2.051) 5.124 3.403 ( 0.389 5.351 1.571) 5.591 3.435 ( -2.258 5.784 -2.809) 6.815 3.589 ( 6.914 4.502 4.705) 9.498 3.663 ( 7.240 3.232 -3.092) 8.510 4.019 ( 9.496 8.904 5.526) 14.142 4.072 ( 7.063 10.851 1.215) 13.004 4.120 ( -3.283 10.755 2.899) 11.613 4.190 ( 1.008 5.138 -2.421) 5.769 4.350 ( 1.181 15.119 14.187) 20.766 4.607 ( -2.421 12.622 -9.556) 16.015 4.662 ( -0.189 8.643 10.734) 13.783 4.901 ( -2.602 8.202 -11.567) 14.417 4.985 ( 0.405 5.298 -3.202) 6.204 5.010 ( 1.309 4.629 -5.577) 7.365 5.678 ( -0.347 0.697 1.084) 1.335 5.706 ( 0.018 0.404 -1.709) 1.756 5.777 ( -0.352 -0.925 3.129) 3.282 5.851 ( -1.354 1.225 -4.498) 4.855 6.808 ( 2.133 16.672 1.849) 16.909 6.823 ( 2.647 17.141 0.168) 17.345 7.061 ( -2.857 18.490 3.460) 19.027 7.115 ( -0.817 17.684 -1.651) 17.780 7.170 ( 6.207 8.214 6.249) 12.043 7.239 ( 1.671 13.778 -0.010) 13.879 7.301 ( 3.003 8.903 0.486) 9.409 7.365 ( 1.337 12.765 0.079) 12.835 7.377 ( 1.203 15.159 -0.824) 15.229 7.430 ( 7.817 8.835 -12.161) 16.943 7.912 ( -6.255 6.501 8.655) 12.502 8.029 ( -4.660 10.113 -3.970) 11.822 8.555 ( -8.071 9.180 1.479) 12.313 8.575 ( -7.824 7.008 -0.732) 10.529 9.050 ( 0.726 3.072 3.859) 4.986 9.126 ( -1.569 3.643 -3.983) 5.621 9.461 ( 5.733 2.514 2.296) 6.667 9.521 ( 5.595 1.888 -3.659) 6.947 9.786 ( -0.926 -22.819 6.149) 23.652 9.862 ( 2.476 0.014 4.860) 5.455 9.938 ( 0.133 -24.392 -5.450) 24.994 9.983 ( 2.062 -6.971 -4.376) 8.485 10.148 ( -0.034 -20.524 1.150) 20.556 10.214 ( 1.349 -22.686 -5.136) 23.300 10.401 ( 4.461 -12.530 6.609) 14.852 10.493 ( 6.623 -8.052 -2.272) 10.671 10.805 ( 5.111 -8.017 10.524) 14.183 10.983 ( 0.991 -6.812 -6.182) 9.252 11.176 ( 2.169 -5.365 0.501) 5.809 11.225 ( 2.920 -1.987 -6.983) 7.825 11.445 ( -1.867 -1.741 13.992) 14.223 11.659 ( -6.034 -3.026 -7.877) 10.374 11.911 ( -8.868 2.664 18.558) 20.740 12.035 ( -16.548 3.977 -0.682) 17.033 12.099 ( -9.736 6.324 1.619) 11.722 12.298 ( -8.145 -0.941 -11.299) 13.960 12.617 ( 7.828 8.486 9.368) 14.867 12.791 ( 10.261 11.400 -7.874) 17.241 12.946 ( 0.165 14.438 4.736) 15.196 13.011 ( -0.694 10.116 -2.844) 10.531 13.482 ( 5.241 3.560 10.596) 12.346 13.835 ( -2.456 1.916 -21.013) 21.243 14.065 ( -4.201 -1.787 1.770) 4.896 14.179 ( -2.051 -2.079 -6.992) 7.577 15.299 ( 3.214 -8.011 2.601) 9.015 15.414 ( 1.878 -0.561 -8.012) 8.248 15.578 ( 0.615 -9.398 -4.701) 10.526 15.600 ( 1.153 -9.131 -4.774) 10.368 16.153 ( 2.930 -5.981 6.612) 9.385 16.291 ( 0.175 -2.898 -7.936) 8.451 16.666 ( -0.774 -23.540 0.705) 23.564 16.708 ( -1.473 -14.134 -2.898) 14.503 17.344 ( -0.920 -2.415 4.979) 5.610 17.390 ( -1.012 -1.793 0.317) 2.083 17.515 ( -0.568 -6.866 5.971) 9.117 17.595 ( -0.721 -6.514 -2.497) 7.014 19.505 ( 2.436 0.787 14.254) 14.483 19.732 ( -2.581 -2.450 -6.090) 7.054 20.120 ( 2.311 -9.945 13.896) 17.243 20.403 ( -3.761 -12.225 -12.949) 18.200 21.770 ( 0.569 4.735 1.977) 5.163 21.818 ( -0.453 4.940 -3.298) 5.957 22.172 ( -1.928 5.698 3.801) 7.115 22.233 ( -2.811 6.898 -2.735) 7.935 23.035 ( -0.222 -5.120 1.429) 5.321 23.061 ( -1.040 -3.110 -1.309) 3.531 23.208 ( 3.694 -10.466 0.179) 11.100 23.210 ( 3.725 -8.468 -0.038) 9.251 ======================= Grid point 172 (63/72) ======================= q-point: ( 0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 3.869 14.173 6.528) 16.077 2.503 ( -3.579 9.016 4.483) 10.686 2.547 ( 4.168 15.491 -2.699) 16.268 2.589 ( 5.270 9.954 -8.493) 14.106 2.698 ( -7.388 12.663 3.044) 14.973 2.783 ( -9.195 8.181 -6.298) 13.825 2.977 ( -0.697 10.956 0.064) 10.979 2.998 ( -2.812 12.520 -2.059) 12.996 3.302 ( 1.059 3.830 0.933) 4.082 3.324 ( -0.972 2.976 -1.330) 3.401 3.401 ( -0.146 9.104 1.063) 9.168 3.405 ( -0.668 9.344 0.233) 9.370 3.752 ( 7.962 2.307 4.618) 9.489 3.805 ( 4.836 1.395 -1.126) 5.158 4.019 ( -4.519 9.100 1.938) 10.343 4.043 ( -4.669 9.316 -0.770) 10.449 4.241 ( 9.901 7.575 7.960) 14.790 4.334 ( 8.581 6.571 0.352) 10.814 4.362 ( -1.159 12.260 11.288) 16.705 4.499 ( -7.431 8.066 1.801) 11.114 4.704 ( 3.981 10.590 -1.982) 11.486 4.810 ( -5.888 11.013 -8.523) 15.120 5.009 ( 1.510 4.789 -4.776) 6.930 5.027 ( -0.009 5.173 -6.018) 7.935 5.678 ( 0.477 -0.120 1.679) 1.749 5.696 ( -1.057 0.401 0.644) 1.301 5.786 ( 1.294 -0.763 -1.182) 1.912 5.819 ( -1.789 0.304 -3.793) 4.205 6.867 ( 4.216 18.379 3.209) 19.127 6.912 ( 5.094 19.823 -1.341) 20.511 6.977 ( -4.545 19.189 3.824) 20.088 7.042 ( -5.690 21.397 -2.859) 22.324 7.282 ( 4.226 10.211 1.776) 11.193 7.307 ( 4.001 7.332 -1.185) 8.436 7.335 ( -0.895 11.371 1.681) 11.530 7.363 ( -1.388 11.056 -1.158) 11.202 7.494 ( 10.099 7.071 5.103) 13.342 7.612 ( 6.168 8.214 -5.309) 11.563 7.773 ( -4.391 7.897 5.230) 10.440 7.894 ( -8.871 10.014 -5.898) 14.621 8.412 ( -4.301 13.112 1.608) 13.893 8.425 ( -5.342 13.002 0.291) 14.059 9.072 ( 1.282 1.738 -0.275) 2.177 9.098 ( -1.336 1.992 -2.924) 3.782 9.582 ( 5.562 -0.698 1.478) 5.797 9.616 ( 3.094 -0.551 -1.684) 3.566 9.758 ( -0.839 -16.113 4.091) 16.645 9.815 ( -5.300 -9.585 -0.440) 10.961 9.991 ( 2.914 -17.713 0.056) 17.951 10.014 ( 0.411 -14.811 -1.127) 14.860 10.162 ( 1.430 -23.238 -1.086) 23.308 10.200 ( -2.040 -22.748 -4.138) 23.211 10.558 ( 9.182 -6.490 7.616) 13.581 10.632 ( 3.711 -5.389 0.867) 6.600 10.963 ( 10.475 -8.004 5.292) 14.205 11.048 ( 4.961 -5.486 -1.982) 7.657 11.197 ( -0.227 -3.972 2.704) 4.810 11.263 ( -0.485 -4.049 -3.735) 5.530 11.359 ( -6.464 0.723 4.058) 7.666 11.441 ( -13.183 -1.053 -3.680) 13.727 11.752 ( -3.400 1.473 10.340) 10.984 11.804 ( -6.529 1.328 7.885) 10.323 11.992 ( 0.981 3.370 -5.686) 6.682 12.113 ( -9.254 0.939 -11.893) 15.098 12.764 ( 6.936 10.815 11.894) 17.509 12.888 ( -5.272 11.952 10.421) 16.710 12.955 ( 5.756 10.542 -7.154) 13.980 13.015 ( -0.456 10.133 -2.883) 10.545 13.600 ( 6.448 2.909 4.212) 8.233 13.736 ( -6.845 2.377 -3.818) 8.190 14.045 ( 1.987 -0.277 -10.406) 10.597 14.111 ( -4.024 -0.617 -12.280) 12.937 15.373 ( 3.658 -6.782 3.094) 8.303 15.425 ( -1.186 -4.267 -0.441) 4.450 15.600 ( 1.389 -8.669 -7.937) 11.835 15.615 ( 0.107 -8.156 -7.471) 11.062 16.225 ( 3.754 -6.385 2.836) 7.931 16.281 ( -1.574 -5.168 -3.091) 6.225 16.655 ( -0.010 -17.831 -0.699) 17.845 16.673 ( -1.688 -14.190 -2.261) 14.468 17.335 ( 0.205 -1.424 5.034) 5.236 17.356 ( -1.815 0.093 2.730) 3.280 17.528 ( 1.635 -9.617 3.486) 10.359 17.567 ( -1.943 -8.662 -0.618) 8.898 19.572 ( 4.159 -0.054 12.739) 13.401 19.660 ( -4.391 -1.359 6.831) 8.233 20.194 ( 4.968 -9.736 -1.850) 11.086 20.304 ( -5.707 -10.803 -10.348) 16.011 21.787 ( 1.083 6.188 0.930) 6.350 21.806 ( -0.775 6.508 -1.182) 6.660 22.145 ( -0.229 4.681 1.744) 5.001 22.172 ( -2.722 5.256 -1.133) 6.027 23.039 ( 0.449 -3.602 0.426) 3.655 23.048 ( -0.451 -2.796 -0.520) 2.880 23.269 ( 1.847 -11.427 0.185) 11.577 23.270 ( 1.741 -10.673 0.060) 10.814 ======================= Grid point 175 (64/72) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 0.000 3.747 -0.466) 3.776 2.627 ( 0.000 3.207 -2.158) 3.865 2.801 ( 0.000 10.392 0.308) 10.397 2.826 ( 0.000 14.095 -2.170) 14.261 3.079 ( 0.000 7.358 3.631) 8.205 3.141 ( 0.000 1.501 4.076) 4.343 3.158 ( 0.000 7.129 -1.466) 7.278 3.229 ( 0.000 0.655 -1.302) 1.458 3.332 ( 0.000 3.846 3.259) 5.041 3.413 ( 0.000 0.704 -5.084) 5.132 3.488 ( 0.000 5.478 4.641) 7.180 3.520 ( 0.000 7.420 2.342) 7.781 3.657 ( 0.000 3.163 -0.851) 3.276 3.673 ( 0.000 5.349 -2.489) 5.899 4.035 ( 0.000 2.046 5.294) 5.676 4.113 ( 0.000 2.504 -3.323) 4.161 4.341 ( 0.000 8.197 1.150) 8.277 4.360 ( 0.000 9.812 -0.820) 9.846 4.640 ( 0.000 14.484 12.437) 19.091 4.798 ( 0.000 8.847 -1.059) 8.910 4.905 ( 0.000 8.465 5.743) 10.230 5.014 ( 0.000 4.040 -0.161) 4.043 5.104 ( 0.000 5.908 -10.408) 11.968 5.115 ( 0.000 6.534 -9.288) 11.356 5.675 ( 0.000 -0.950 0.381) 1.023 5.689 ( 0.000 0.175 -0.905) 0.922 5.846 ( 0.000 5.669 4.239) 7.079 5.943 ( 0.000 4.828 -6.127) 7.801 6.980 ( 0.000 5.863 2.182) 6.256 7.006 ( 0.000 5.300 -0.494) 5.323 7.210 ( 0.000 5.479 13.822) 14.868 7.287 ( 0.000 10.626 0.520) 10.639 7.303 ( 0.000 10.245 -1.346) 10.333 7.513 ( 0.000 6.855 -16.774) 18.121 7.555 ( 0.000 6.626 6.447) 9.245 7.583 ( 0.000 11.884 2.085) 12.066 7.644 ( 0.000 14.172 -3.551) 14.610 7.646 ( 0.000 12.533 -3.283) 12.956 8.107 ( 0.000 7.095 9.020) 11.476 8.259 ( 0.000 7.202 -6.309) 9.574 8.805 ( 0.000 8.746 -0.001) 8.746 8.829 ( 0.000 11.730 -2.117) 11.920 9.156 ( 0.000 0.401 5.326) 5.341 9.223 ( 0.000 -14.880 -3.851) 15.370 9.261 ( 0.000 -14.390 -1.505) 14.468 9.283 ( 0.000 -2.487 -3.295) 4.128 9.394 ( 0.000 -27.797 1.602) 27.843 9.440 ( 0.000 -11.825 -1.575) 11.929 9.687 ( 0.000 -2.626 4.333) 5.066 9.777 ( 0.000 -0.890 -4.614) 4.699 10.011 ( 0.000 -0.104 2.787) 2.789 10.022 ( 0.000 2.375 0.723) 2.483 10.365 ( 0.000 1.889 2.572) 3.191 10.383 ( 0.000 7.573 -1.030) 7.643 10.610 ( 0.000 -6.473 11.861) 13.513 10.805 ( 0.000 -9.563 -8.364) 12.705 11.078 ( 0.000 -2.281 -0.223) 2.292 11.161 ( 0.000 -2.595 -9.063) 9.427 11.390 ( 0.000 -4.625 14.339) 15.066 11.599 ( 0.000 -7.672 -7.651) 10.835 12.002 ( 0.000 -2.709 17.814) 18.019 12.251 ( 0.000 -8.912 -8.245) 12.141 12.388 ( 0.000 5.505 -0.034) 5.505 12.413 ( 0.000 6.167 -2.918) 6.822 12.662 ( 0.000 12.703 16.102) 20.510 12.891 ( 0.000 13.158 -8.361) 15.590 13.248 ( 0.000 14.419 0.555) 14.430 13.259 ( 0.000 12.419 -1.124) 12.470 13.519 ( 0.000 5.794 13.061) 14.288 13.862 ( 0.000 0.067 -20.212) 20.212 14.107 ( 0.000 -3.115 3.642) 4.792 14.142 ( 0.000 0.961 0.022) 0.961 15.038 ( 0.000 -13.419 7.130) 15.196 15.296 ( 0.000 -12.793 -20.679) 24.316 15.300 ( 0.000 -17.498 3.344) 17.815 15.413 ( 0.000 -9.343 -9.937) 13.640 15.888 ( 0.000 -16.588 13.635) 21.473 16.172 ( 0.000 -9.240 -16.490) 18.903 16.209 ( 0.000 -14.063 5.812) 15.216 16.398 ( 0.000 -13.460 -12.518) 18.382 17.384 ( 0.000 3.607 10.432) 11.038 17.424 ( 0.000 5.305 4.994) 7.286 17.566 ( 0.000 3.637 0.645) 3.694 17.583 ( 0.000 1.971 -1.319) 2.372 19.516 ( 0.000 2.403 9.586) 9.883 19.708 ( 0.000 -2.259 -10.676) 10.913 19.944 ( 0.000 -5.274 17.097) 17.892 20.208 ( 0.000 -10.644 -10.990) 15.300 21.819 ( 0.000 1.985 2.019) 2.831 21.868 ( 0.000 1.290 -3.397) 3.633 22.246 ( 0.000 -1.154 4.911) 5.045 22.326 ( 0.000 -1.492 -3.707) 3.996 22.901 ( 0.000 -5.654 1.161) 5.772 22.920 ( 0.000 -6.668 -0.841) 6.721 23.101 ( 0.000 -1.225 0.517) 1.329 23.111 ( 0.000 -0.873 -0.525) 1.019 ======================= Grid point 176 (65/72) ======================= q-point: ( 0.20 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 0.010 3.386 2.299) 4.092 2.665 ( 2.843 3.672 -4.386) 6.388 2.772 ( -3.002 12.796 2.083) 13.308 2.821 ( -0.515 13.880 -2.813) 14.172 2.982 ( -4.821 5.426 3.279) 7.964 3.045 ( -6.099 4.743 -3.073) 8.315 3.190 ( -0.376 7.204 5.870) 9.300 3.269 ( -1.593 8.541 -1.316) 8.788 3.352 ( 2.735 1.088 -1.376) 3.250 3.374 ( -0.939 0.801 -3.006) 3.249 3.518 ( 1.550 3.774 3.384) 5.300 3.542 ( 1.443 6.419 1.544) 6.758 3.687 ( 3.128 4.289 0.816) 5.371 3.719 ( 5.089 3.148 -1.560) 6.184 4.081 ( 3.267 -2.034 6.613) 7.651 4.169 ( 3.373 -1.354 -2.161) 4.228 4.309 ( -2.046 9.852 1.755) 10.214 4.347 ( 0.647 11.130 -1.967) 11.321 4.634 ( -1.297 11.834 10.995) 16.206 4.789 ( -5.496 6.543 -4.842) 9.822 4.855 ( 1.173 10.214 10.208) 14.488 5.056 ( 0.901 8.019 -6.422) 10.313 5.095 ( 1.107 5.025 -6.429) 8.235 5.138 ( 1.365 6.854 -7.632) 10.348 5.673 ( 0.085 0.238 1.340) 1.364 5.709 ( 1.728 0.128 -2.469) 3.016 5.820 ( -2.315 4.785 4.142) 6.738 5.912 ( -2.849 3.952 -5.578) 7.406 7.025 ( 4.319 6.472 1.587) 7.941 7.031 ( 2.840 6.351 1.006) 7.029 7.271 ( 4.844 3.877 9.206) 11.102 7.296 ( 0.600 8.906 2.529) 9.277 7.331 ( 1.204 8.988 0.432) 9.078 7.484 ( -2.228 8.374 2.605) 9.048 7.558 ( 2.499 6.460 -9.282) 11.582 7.574 ( -2.396 12.780 -4.378) 13.720 7.662 ( 3.617 11.627 -0.081) 12.177 7.695 ( 2.963 13.163 -3.190) 13.864 8.066 ( -3.731 9.010 8.619) 13.015 8.218 ( -4.057 7.774 -6.836) 11.119 8.766 ( -2.779 12.104 1.695) 12.534 8.809 ( -2.020 14.268 -2.377) 14.605 9.149 ( -0.728 0.534 3.430) 3.546 9.189 ( -2.021 -2.751 -1.920) 3.916 9.277 ( 1.502 -19.118 -0.258) 19.179 9.339 ( 2.828 -13.136 -3.836) 13.974 9.383 ( -0.861 -27.188 0.129) 27.202 9.412 ( -2.167 -13.798 -2.844) 14.254 9.683 ( 1.391 0.141 7.325) 7.457 9.832 ( 4.262 -2.556 -7.884) 9.319 9.977 ( -3.306 -1.623 5.628) 6.726 10.069 ( 2.074 0.334 -3.151) 3.787 10.392 ( 5.159 4.748 6.967) 9.884 10.491 ( 8.263 5.075 -2.937) 10.132 10.650 ( 4.356 -6.954 10.688) 13.475 10.830 ( 2.927 -8.521 -7.468) 11.702 11.099 ( 1.867 -2.824 0.652) 3.447 11.181 ( 1.311 -3.081 -7.876) 8.558 11.386 ( -0.526 -4.309 11.793) 12.567 11.558 ( -4.178 -7.040 -6.267) 10.310 11.921 ( -7.411 -1.436 16.130) 17.809 12.130 ( -15.061 2.198 -3.800) 15.687 12.208 ( -9.816 2.043 -1.793) 10.186 12.235 ( -11.238 1.309 -5.379) 12.528 12.809 ( 9.250 11.137 14.287) 20.340 13.008 ( 8.375 10.974 -6.122) 15.101 13.219 ( -3.181 12.371 3.934) 13.365 13.251 ( -0.491 12.617 -0.830) 12.653 13.574 ( 4.767 5.876 10.391) 12.854 13.869 ( -0.729 1.356 -13.607) 13.694 14.042 ( -2.684 -0.342 0.768) 2.812 14.158 ( -0.515 0.103 -6.195) 6.217 15.073 ( 3.182 -14.021 7.463) 16.199 15.267 ( -1.812 -15.852 -0.482) 15.962 15.339 ( 2.587 -14.871 -14.514) 20.940 15.423 ( 0.684 -10.658 -11.445) 15.654 15.922 ( 3.340 -15.188 12.708) 20.083 16.149 ( -1.823 -8.853 -4.298) 10.009 16.241 ( 2.536 -14.265 -5.421) 15.470 16.387 ( -1.078 -13.442 -12.296) 18.249 17.388 ( 0.468 4.217 9.917) 10.787 17.433 ( 0.936 4.820 4.071) 6.378 17.533 ( -2.943 4.056 2.490) 5.595 17.565 ( -1.819 1.808 -1.041) 2.768 19.537 ( 2.094 2.372 9.559) 10.069 19.699 ( -1.146 -0.942 -5.008) 5.223 19.960 ( 1.735 -6.347 10.381) 12.290 20.179 ( -2.816 -10.286 -10.487) 14.957 21.832 ( 1.339 2.147 1.879) 3.152 21.877 ( 0.825 1.701 -3.062) 3.598 22.209 ( -3.062 -1.556 4.399) 5.581 22.279 ( -4.114 -1.886 -3.167) 5.524 22.931 ( 2.646 -4.383 1.278) 5.277 22.955 ( 2.837 -5.559 -1.306) 6.376 23.100 ( -0.046 -2.186 0.925) 2.374 23.115 ( 0.233 -2.465 -0.667) 2.564 ======================= Grid point 177 (66/72) ======================= q-point: ( 0.40 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 2.124 6.168 4.822) 8.112 2.684 ( -3.533 9.547 3.393) 10.731 2.745 ( 3.307 5.888 -5.026) 8.418 2.802 ( -1.685 9.857 -5.573) 11.448 2.923 ( -1.222 9.804 1.741) 10.033 2.945 ( -3.566 8.799 -0.513) 9.508 3.166 ( -0.184 7.519 1.643) 7.698 3.203 ( -3.554 7.774 -2.100) 8.802 3.381 ( 1.458 3.393 0.644) 3.749 3.395 ( 0.272 4.815 -0.585) 4.858 3.540 ( 0.870 3.605 0.797) 3.793 3.553 ( -0.297 5.147 -0.199) 5.159 3.788 ( 5.627 1.873 3.698) 6.989 3.825 ( 3.400 1.240 0.053) 3.620 4.090 ( -0.978 -2.755 3.085) 4.251 4.140 ( -4.826 -1.274 -1.996) 5.375 4.379 ( 8.629 8.498 5.407) 13.264 4.438 ( 6.615 6.654 0.139) 9.383 4.569 ( -5.305 8.487 7.174) 12.314 4.619 ( -9.319 5.146 3.592) 11.235 4.933 ( 4.897 11.813 -0.292) 12.791 5.021 ( -3.500 10.148 -7.654) 13.184 5.138 ( 1.916 7.096 -4.479) 8.607 5.157 ( 0.175 6.924 -6.505) 9.502 5.689 ( 1.734 1.677 2.812) 3.704 5.731 ( -1.254 2.908 0.385) 3.190 5.789 ( 1.191 1.164 -0.644) 1.786 5.846 ( -3.447 2.110 -4.692) 6.193 7.111 ( 5.288 8.123 3.354) 10.257 7.146 ( 6.801 6.323 -0.507) 9.300 7.231 ( -5.061 8.327 4.119) 10.579 7.286 ( -5.345 6.678 -0.896) 8.600 7.406 ( 6.321 2.745 6.538) 9.500 7.482 ( -0.437 6.395 2.655) 6.938 7.556 ( 0.272 11.264 -3.559) 11.817 7.572 ( -0.830 8.374 -3.667) 9.180 7.728 ( 4.138 11.986 1.782) 12.805 7.779 ( 2.139 8.830 -3.613) 9.778 8.004 ( 0.097 13.940 2.473) 14.158 8.103 ( -7.050 10.470 -6.616) 14.251 8.734 ( 0.027 17.984 2.461) 18.152 8.762 ( -2.300 18.834 -0.105) 18.974 9.135 ( -0.308 0.104 0.794) 0.858 9.149 ( -1.712 -1.053 -0.972) 2.233 9.311 ( 1.872 -21.983 0.538) 22.069 9.349 ( -1.727 -20.418 -0.851) 20.508 9.376 ( 0.742 -21.365 -2.538) 21.528 9.392 ( -0.421 -16.799 -6.019) 17.850 9.753 ( 5.200 -0.706 9.371) 10.740 9.869 ( -5.528 -2.199 8.901) 10.706 9.942 ( 5.125 -2.470 -9.418) 11.003 10.046 ( -4.155 -2.060 -8.649) 9.813 10.542 ( 7.294 2.516 9.882) 12.537 10.607 ( 1.273 1.158 5.055) 5.340 10.817 ( 11.330 -6.222 2.286) 13.126 10.920 ( 3.621 -7.745 -6.054) 10.476 11.145 ( 3.053 -2.209 0.817) 3.856 11.198 ( 0.965 -3.264 -3.892) 5.170 11.345 ( -3.883 -2.353 4.214) 6.195 11.418 ( -9.598 -2.662 -3.265) 10.482 11.780 ( -3.584 1.583 11.053) 11.727 11.846 ( -9.818 3.769 4.555) 11.461 12.033 ( -3.516 1.646 -5.216) 6.502 12.079 ( -6.269 -3.429 -8.362) 10.999 12.980 ( 7.979 10.921 13.823) 19.339 13.118 ( -4.602 10.683 9.027) 14.724 13.159 ( 4.082 10.348 -3.328) 11.611 13.230 ( -2.075 10.692 -2.128) 11.098 13.680 ( 5.625 5.320 7.664) 10.894 13.794 ( -5.654 3.603 3.361) 7.500 14.056 ( 3.027 1.415 -12.903) 13.329 14.120 ( -2.911 1.356 -12.593) 12.996 15.148 ( 3.956 -15.218 7.234) 17.308 15.219 ( -3.071 -15.990 4.980) 17.027 15.392 ( 2.425 -14.743 -15.448) 21.492 15.425 ( -0.763 -13.252 -13.965) 19.267 16.008 ( 4.906 -11.985 9.326) 15.959 16.096 ( -3.602 -9.406 3.818) 10.771 16.299 ( 3.036 -14.057 -10.510) 17.812 16.354 ( -2.319 -13.564 -11.806) 18.131 17.409 ( 1.772 5.221 8.307) 9.970 17.452 ( -0.893 5.943 3.559) 6.985 17.478 ( -0.325 2.362 4.390) 4.996 17.518 ( -2.655 1.984 0.279) 3.326 19.593 ( 3.299 2.100 8.669) 9.510 19.658 ( -2.934 1.106 4.406) 5.408 20.017 ( 3.953 -8.116 -1.442) 9.142 20.104 ( -4.402 -9.379 -8.095) 13.148 21.867 ( 1.837 2.560 1.043) 3.319 21.889 ( -0.109 2.552 -1.378) 2.902 22.162 ( -0.763 -2.387 2.084) 3.259 22.194 ( -3.660 -2.429 -1.371) 4.602 22.983 ( 2.133 -2.103 0.628) 3.060 22.999 ( 0.877 -2.272 -1.033) 2.645 23.103 ( 0.473 -5.440 0.877) 5.530 23.114 ( -0.383 -5.304 -0.340) 5.329 ======================= Grid point 180 (67/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 0.000 -2.430 0.711) 2.532 2.610 ( 0.000 -2.741 -1.609) 3.178 3.009 ( 0.000 8.272 1.176) 8.355 3.046 ( 0.000 7.275 -2.651) 7.743 3.153 ( 0.000 1.330 4.119) 4.328 3.154 ( 0.000 0.619 4.661) 4.702 3.217 ( 0.000 0.092 -2.161) 2.163 3.235 ( 0.000 -1.111 -2.621) 2.847 3.473 ( 0.000 8.463 -0.009) 8.463 3.480 ( 0.000 6.434 -0.858) 6.491 3.592 ( 0.000 4.235 3.315) 5.378 3.627 ( 0.000 3.037 1.051) 3.214 3.701 ( 0.000 1.294 2.141) 2.502 3.743 ( 0.000 1.155 -1.054) 1.564 4.015 ( 0.000 -2.293 2.834) 3.646 4.080 ( 0.000 -4.201 -4.102) 5.872 4.510 ( 0.000 7.591 1.775) 7.796 4.535 ( 0.000 6.873 -0.757) 6.915 4.870 ( 0.000 8.680 7.294) 11.337 4.959 ( 0.000 6.486 -3.083) 7.181 5.006 ( 0.000 2.667 8.932) 9.322 5.076 ( 0.000 1.769 2.417) 2.995 5.200 ( 0.000 3.524 -9.512) 10.143 5.216 ( 0.000 3.239 -9.328) 9.875 5.692 ( 0.000 2.242 1.071) 2.485 5.714 ( 0.000 1.854 -1.252) 2.237 5.958 ( 0.000 4.982 1.765) 5.285 6.020 ( 0.000 2.351 -4.652) 5.212 7.055 ( 0.000 2.434 1.232) 2.728 7.068 ( 0.000 1.641 0.012) 1.641 7.332 ( 0.000 7.127 12.232) 14.157 7.483 ( 0.000 6.651 -0.346) 6.660 7.484 ( 0.000 8.139 0.597) 8.161 7.572 ( 0.000 -1.749 7.222) 7.431 7.590 ( 0.000 0.189 -13.938) 13.940 7.683 ( 0.000 -2.189 -3.375) 4.022 7.874 ( 0.000 10.669 -3.458) 11.215 7.878 ( 0.000 11.005 -2.845) 11.366 8.208 ( 0.000 1.895 4.220) 4.626 8.305 ( 0.000 -2.976 -6.453) 7.106 8.809 ( 0.000 -3.893 7.794) 8.712 8.864 ( 0.000 -16.890 1.959) 17.003 8.899 ( 0.000 -11.897 -2.404) 12.137 8.948 ( 0.000 -7.007 -6.767) 9.741 9.175 ( 0.000 7.901 0.293) 7.906 9.190 ( 0.000 4.079 -0.994) 4.198 9.325 ( 0.000 5.121 4.228) 6.641 9.412 ( 0.000 1.938 -5.056) 5.415 9.754 ( 0.000 4.525 3.145) 5.511 9.835 ( 0.000 2.526 -4.520) 5.178 10.005 ( 0.000 -0.594 2.041) 2.126 10.029 ( 0.000 -1.541 -0.303) 1.570 10.449 ( 0.000 4.091 4.787) 6.297 10.509 ( 0.000 1.952 -2.978) 3.561 10.565 ( 0.000 3.796 7.546) 8.447 10.678 ( 0.000 -0.396 -4.361) 4.379 11.033 ( 0.000 -2.698 -1.772) 3.228 11.077 ( 0.000 -5.728 -5.847) 8.185 11.300 ( 0.000 -3.604 9.192) 9.873 11.430 ( 0.000 -8.908 -4.715) 10.079 11.948 ( 0.000 -1.634 11.114) 11.233 12.067 ( 0.000 -8.123 -1.297) 8.226 12.478 ( 0.000 3.404 0.032) 3.405 12.504 ( 0.000 2.595 -2.800) 3.818 12.946 ( 0.000 14.517 14.808) 20.737 13.120 ( 0.000 8.494 -4.678) 9.697 13.492 ( 0.000 10.023 1.200) 10.094 13.492 ( 0.000 10.686 0.468) 10.696 13.649 ( 0.000 7.127 7.608) 10.425 13.840 ( 0.000 -2.386 -8.010) 8.358 14.080 ( 0.000 0.981 4.884) 4.981 14.174 ( 0.000 1.669 -3.644) 4.008 14.789 ( 0.000 -9.898 8.568) 13.091 14.927 ( 0.000 -18.141 7.565) 19.655 14.956 ( 0.000 -17.941 -6.868) 19.211 15.087 ( 0.000 -21.819 -7.741) 23.151 15.704 ( 0.000 -0.044 4.149) 4.149 15.966 ( 0.000 -10.222 -20.377) 22.797 16.112 ( 0.000 0.414 -4.126) 4.147 16.228 ( 0.000 -5.197 -13.688) 14.642 17.477 ( 0.000 4.537 9.373) 10.413 17.513 ( 0.000 3.161 5.616) 6.444 17.626 ( 0.000 2.098 1.122) 2.379 17.627 ( 0.000 1.843 0.014) 1.843 19.569 ( 0.000 2.839 4.670) 5.465 19.666 ( 0.000 -2.092 -5.586) 5.965 19.888 ( 0.000 -0.551 9.073) 9.089 20.029 ( 0.000 -7.401 -5.851) 9.434 21.853 ( 0.000 1.687 1.507) 2.262 21.886 ( 0.000 0.526 -1.932) 2.003 22.189 ( 0.000 -3.263 3.140) 4.529 22.243 ( 0.000 -5.387 -2.629) 5.994 22.835 ( 0.000 -1.457 0.513) 1.545 22.844 ( 0.000 -1.799 -0.392) 1.841 23.085 ( 0.000 -0.463 0.545) 0.715 23.094 ( 0.000 -0.791 -0.414) 0.893 ======================= Grid point 181 (68/72) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 3.213 -0.014 2.204) 3.896 2.667 ( 4.817 -1.764 -3.265) 6.081 2.995 ( -3.878 8.046 1.631) 9.080 3.036 ( -2.894 6.487 -1.799) 7.328 3.069 ( -0.899 3.819 2.123) 4.461 3.107 ( -2.380 2.465 -1.214) 3.635 3.262 ( 2.780 0.145 3.537) 4.501 3.323 ( 3.411 -2.666 -3.068) 5.306 3.435 ( -2.732 7.771 0.566) 8.257 3.443 ( -1.492 6.234 0.294) 6.417 3.585 ( -1.446 2.197 3.268) 4.195 3.627 ( -0.705 1.515 -0.441) 1.728 3.737 ( 3.723 1.819 2.983) 5.106 3.781 ( 3.686 1.720 -1.426) 4.311 4.016 ( -0.324 -3.053 3.502) 4.657 4.088 ( -0.053 -5.375 -3.862) 6.619 4.497 ( -0.188 7.953 2.490) 8.336 4.531 ( 0.291 6.726 -0.800) 6.780 4.812 ( -4.608 6.506 7.441) 10.906 4.879 ( -7.795 2.699 1.722) 8.427 5.043 ( 4.764 8.050 4.022) 10.182 5.158 ( 5.089 2.010 -1.274) 5.618 5.204 ( 0.370 5.384 -8.729) 10.262 5.241 ( 1.919 3.340 -7.613) 8.532 5.703 ( 0.924 2.284 0.936) 2.636 5.726 ( 1.618 1.271 -1.535) 2.568 5.922 ( -3.454 4.751 1.740) 6.126 5.978 ( -3.843 2.263 -4.127) 6.076 7.103 ( 4.696 2.442 1.280) 5.445 7.117 ( 4.504 2.376 -0.099) 5.093 7.354 ( 1.798 5.182 10.141) 11.530 7.453 ( -2.000 6.455 1.097) 6.846 7.465 ( -3.081 3.830 0.860) 4.990 7.560 ( -0.745 -0.020 6.603) 6.645 7.619 ( 2.115 0.521 -11.996) 12.192 7.686 ( 0.041 -2.227 -5.543) 5.974 7.885 ( 2.183 11.668 -0.464) 11.880 7.923 ( 3.274 11.043 -4.079) 12.219 8.205 ( -0.183 3.289 3.583) 4.867 8.291 ( -1.466 -1.131 -5.813) 6.101 8.825 ( 1.496 -4.730 7.201) 8.744 8.873 ( 0.750 -15.555 2.045) 15.707 8.913 ( 1.303 -11.554 -2.502) 11.893 8.955 ( 0.598 -8.392 -5.973) 10.318 9.145 ( -2.082 7.785 2.072) 8.321 9.186 ( -1.235 7.580 -1.835) 7.896 9.320 ( -0.111 4.469 4.384) 6.261 9.408 ( -0.527 2.475 -4.637) 5.282 9.758 ( 0.503 4.606 3.345) 5.715 9.842 ( 0.778 1.195 -4.753) 4.962 9.955 ( -3.603 -0.737 3.441) 5.037 10.038 ( -0.548 -3.507 -4.580) 5.795 10.508 ( 5.898 4.663 6.176) 9.730 10.584 ( 2.871 2.149 6.426) 7.359 10.599 ( 6.948 2.212 -2.735) 7.788 10.700 ( 2.227 -1.203 -4.586) 5.238 11.041 ( 1.178 -3.430 -0.468) 3.657 11.092 ( 1.133 -5.686 -5.325) 7.872 11.296 ( -0.536 -3.933 7.396) 8.393 11.400 ( -2.814 -8.247 -3.711) 9.471 11.897 ( -4.390 -0.080 11.109) 11.945 12.026 ( -3.689 -6.661 -2.350) 7.969 12.297 ( -15.401 4.744 -0.140) 16.115 12.323 ( -14.166 3.517 -2.807) 14.864 13.043 ( 7.193 11.857 14.265) 19.895 13.198 ( 5.966 6.885 -2.718) 9.507 13.432 ( -4.415 8.932 4.192) 10.809 13.469 ( -2.646 8.615 -0.513) 9.026 13.714 ( 5.146 8.077 6.960) 11.839 13.884 ( 2.958 0.583 -4.907) 5.760 14.059 ( -0.935 2.208 2.155) 3.224 14.179 ( -0.130 1.313 -6.453) 6.587 14.803 ( 1.301 -11.171 8.590) 14.152 14.906 ( -1.542 -17.541 6.032) 18.613 14.984 ( 2.146 -18.536 -4.965) 19.309 15.083 ( -0.441 -21.375 -7.699) 22.724 15.761 ( 5.306 -0.095 2.968) 6.080 15.999 ( 3.136 -9.325 -19.296) 21.659 16.091 ( -2.174 -0.054 -3.801) 4.379 16.213 ( -1.593 -5.584 -13.966) 15.125 17.482 ( 0.605 4.434 8.797) 9.870 17.517 ( 0.501 3.040 4.994) 5.867 17.602 ( -2.222 2.517 2.264) 4.049 17.611 ( -1.573 1.962 0.472) 2.558 19.593 ( 2.318 3.130 4.860) 6.228 19.687 ( 1.661 -0.785 -4.632) 4.983 19.875 ( -1.001 -1.945 7.543) 7.853 20.003 ( -2.484 -7.407 -5.675) 9.656 21.869 ( 1.527 1.766 1.462) 2.754 21.901 ( 1.428 0.759 -1.956) 2.539 22.148 ( -3.520 -3.368 2.945) 5.693 22.197 ( -4.056 -5.128 -2.292) 6.928 22.876 ( 3.612 -1.398 0.502) 3.906 22.885 ( 3.655 -1.861 -0.441) 4.125 23.073 ( -1.233 -0.753 0.567) 1.552 23.082 ( -1.220 -1.122 -0.407) 1.707 ======================= Grid point 182 (69/72) ======================= q-point: ( 0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 6.580 3.826 2.918) 8.152 2.783 ( 6.304 1.286 -3.835) 7.490 2.866 ( -7.158 5.614 2.209) 9.361 2.925 ( -6.884 2.939 -3.580) 8.298 3.096 ( 2.398 7.939 1.987) 8.528 3.120 ( 0.772 8.137 -0.486) 8.188 3.267 ( -0.586 2.607 1.487) 3.058 3.303 ( -3.563 2.253 -2.495) 4.899 3.439 ( 2.679 2.878 2.655) 4.744 3.468 ( 1.436 1.997 0.273) 2.475 3.552 ( -0.531 -1.222 2.902) 3.194 3.590 ( -2.739 -1.237 -0.727) 3.092 3.829 ( 4.782 2.214 2.536) 5.848 3.864 ( 3.006 2.106 -1.036) 3.814 3.993 ( -0.826 -4.805 2.370) 5.421 4.046 ( -4.070 -5.847 -2.879) 7.684 4.546 ( 5.285 7.169 3.953) 9.744 4.576 ( 4.196 5.790 1.080) 7.232 4.700 ( -6.457 4.754 4.832) 9.362 4.711 ( -7.881 3.750 4.498) 9.818 5.137 ( 4.221 8.430 -1.559) 9.555 5.195 ( -1.311 7.045 -6.455) 9.644 5.247 ( 2.770 3.390 -3.785) 5.787 5.268 ( 0.447 3.783 -5.846) 6.978 5.739 ( 3.134 2.916 1.975) 4.715 5.782 ( 3.337 1.517 -2.663) 4.531 5.835 ( -4.282 3.276 1.943) 5.731 5.886 ( -5.020 1.444 -3.423) 6.245 7.224 ( 6.429 3.273 0.783) 7.257 7.229 ( 6.735 2.760 0.507) 7.296 7.339 ( -4.289 3.343 2.310) 5.908 7.369 ( -6.202 2.263 0.498) 6.621 7.457 ( 3.124 3.612 8.329) 9.601 7.526 ( -2.943 0.197 7.085) 7.675 7.655 ( 1.535 -0.368 -10.468) 10.586 7.679 ( -0.796 -1.655 -7.922) 8.133 7.950 ( 3.463 11.982 0.640) 12.489 7.979 ( 1.234 11.254 -2.380) 11.569 8.210 ( 1.057 4.973 0.605) 5.120 8.250 ( -2.454 2.780 -3.718) 5.251 8.863 ( 1.993 -8.483 5.591) 10.354 8.884 ( 0.036 -13.290 3.295) 13.692 8.945 ( 1.665 -11.469 -3.420) 12.083 8.963 ( -0.020 -11.135 -4.499) 12.009 9.112 ( -0.698 11.819 3.042) 12.224 9.138 ( -2.919 12.592 1.074) 12.970 9.338 ( 1.987 3.644 1.007) 4.271 9.383 ( -2.031 3.342 -3.024) 4.944 9.781 ( 1.969 2.722 3.938) 5.176 9.835 ( -2.710 -0.294 2.819) 3.922 9.924 ( 2.102 -1.203 -5.164) 5.704 9.993 ( -3.656 -3.723 -7.698) 9.300 10.620 ( 3.102 4.882 7.920) 9.807 10.631 ( 1.902 1.010 6.928) 7.255 10.752 ( 5.391 -0.692 -3.968) 6.730 10.770 ( 3.989 -6.552 -5.606) 9.501 11.095 ( 4.025 -2.558 0.437) 4.789 11.122 ( 2.202 -3.605 -2.070) 4.704 11.268 ( -1.873 -4.908 3.241) 6.172 11.319 ( -5.376 -6.698 -1.880) 8.792 11.833 ( -0.039 3.916 8.179) 9.068 11.930 ( -7.103 2.697 -1.643) 7.774 12.025 ( -6.791 -0.566 0.603) 6.841 12.065 ( -9.154 1.072 -3.618) 9.901 13.187 ( 7.132 9.749 12.766) 17.575 13.302 ( 0.996 7.091 3.787) 8.100 13.336 ( -2.003 7.026 3.820) 8.245 13.405 ( -3.778 6.104 -0.553) 7.200 13.815 ( 4.680 8.502 7.047) 11.994 13.890 ( -2.484 6.821 5.510) 9.114 14.089 ( 3.509 0.997 -8.914) 9.631 14.154 ( -2.462 1.199 -10.074) 10.439 14.835 ( 1.802 -13.868 8.438) 16.333 14.871 ( -1.859 -16.243 7.477) 17.978 15.029 ( 2.239 -19.314 -6.026) 20.356 15.066 ( -1.368 -20.334 -7.212) 21.618 15.890 ( 7.030 -0.110 0.245) 7.035 16.014 ( -4.840 0.138 -2.980) 5.685 16.084 ( 4.149 -8.387 -16.403) 18.884 16.164 ( -3.394 -6.723 -15.012) 16.795 17.504 ( 1.697 4.079 7.187) 8.436 17.536 ( 1.292 2.684 3.476) 4.578 17.550 ( -2.596 3.416 4.774) 6.418 17.572 ( -2.078 2.289 1.739) 3.547 19.652 ( 3.251 3.767 4.719) 6.858 19.701 ( -1.025 3.120 1.028) 3.441 19.876 ( 1.810 -6.169 0.552) 6.453 19.938 ( -3.738 -7.404 -4.534) 9.452 21.909 ( 2.242 2.176 0.946) 3.264 21.930 ( 0.781 1.965 -1.279) 2.471 22.084 ( -1.706 -4.523 1.741) 5.138 22.111 ( -3.795 -5.015 -1.157) 6.395 22.954 ( 3.672 -0.861 0.414) 3.794 22.963 ( 3.455 -1.237 -0.525) 3.707 23.037 ( -2.158 -1.779 0.616) 2.863 23.045 ( -2.372 -2.084 -0.312) 3.173 ======================= Grid point 185 (70/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 0.000 -0.631 0.047) 0.633 2.570 ( 0.000 0.631 0.047) 0.633 3.102 ( 0.000 -1.115 1.144) 1.597 3.102 ( 0.000 1.115 1.144) 1.598 3.169 ( 0.000 -0.423 2.002) 2.046 3.169 ( 0.000 0.423 2.002) 2.046 3.210 ( 0.000 -0.114 -2.730) 2.732 3.210 ( 0.000 0.114 -2.730) 2.732 3.583 ( 0.000 -0.569 0.350) 0.668 3.583 ( 0.000 0.569 0.350) 0.668 3.637 ( 0.000 -0.738 0.317) 0.803 3.637 ( 0.000 0.738 0.317) 0.803 3.721 ( 0.000 -1.665 3.699) 4.057 3.721 ( 0.000 1.665 3.699) 4.057 4.006 ( 0.000 -2.088 -2.422) 3.198 4.006 ( 0.000 2.088 -2.422) 3.198 4.599 ( 0.000 -0.783 0.747) 1.082 4.599 ( 0.000 0.783 0.747) 1.082 4.984 ( 0.000 -2.921 2.810) 4.053 4.984 ( 0.000 2.921 2.810) 4.053 5.070 ( 0.000 -2.530 4.256) 4.951 5.070 ( 0.000 2.530 4.256) 4.951 5.241 ( 0.000 -0.584 -9.011) 9.030 5.241 ( 0.000 0.585 -9.011) 9.030 5.730 ( 0.000 -0.766 0.159) 0.782 5.730 ( 0.000 0.766 0.159) 0.782 6.026 ( 0.000 -1.700 -1.683) 2.392 6.026 ( 0.000 1.700 -1.683) 2.392 7.082 ( 0.000 -0.267 0.699) 0.748 7.082 ( 0.000 0.267 0.699) 0.748 7.487 ( 0.000 -7.756 2.240) 8.073 7.487 ( 0.000 7.757 2.240) 8.074 7.551 ( 0.000 -0.465 1.509) 1.579 7.551 ( 0.000 0.465 1.509) 1.579 7.605 ( 0.000 -3.890 -4.600) 6.024 7.605 ( 0.000 3.890 -4.600) 6.024 8.017 ( 0.000 -0.486 -0.651) 0.812 8.017 ( 0.000 0.486 -0.651) 0.812 8.219 ( 0.000 -2.611 -0.816) 2.736 8.219 ( 0.000 2.611 -0.816) 2.736 8.713 ( 0.000 -3.109 -1.602) 3.497 8.713 ( 0.000 3.109 -1.602) 3.497 8.840 ( 0.000 -3.950 0.535) 3.986 8.840 ( 0.000 3.950 0.535) 3.986 9.275 ( 0.000 -0.463 1.191) 1.278 9.275 ( 0.000 0.463 1.191) 1.278 9.401 ( 0.000 -2.856 -0.962) 3.013 9.401 ( 0.000 2.856 -0.962) 3.013 9.830 ( 0.000 -2.848 -2.895) 4.061 9.830 ( 0.000 2.849 -2.895) 4.062 9.998 ( 0.000 -0.706 1.015) 1.237 9.998 ( 0.000 0.706 1.015) 1.237 10.493 ( 0.000 -1.406 0.974) 1.710 10.493 ( 0.000 1.406 0.974) 1.711 10.688 ( 0.000 -3.855 1.218) 4.043 10.688 ( 0.000 3.855 1.218) 4.043 10.994 ( 0.000 -0.500 -2.827) 2.871 10.994 ( 0.000 0.500 -2.827) 2.871 11.291 ( 0.000 -3.672 1.527) 3.977 11.291 ( 0.000 3.672 1.527) 3.977 11.959 ( 0.000 -2.855 5.602) 6.287 11.959 ( 0.000 2.856 5.602) 6.287 12.519 ( 0.000 -0.783 -1.395) 1.600 12.519 ( 0.000 0.783 -1.395) 1.600 13.160 ( 0.000 -5.289 4.963) 7.253 13.160 ( 0.000 5.289 4.962) 7.253 13.607 ( 0.000 -0.526 1.933) 2.004 13.607 ( 0.000 0.526 1.933) 2.004 13.777 ( 0.000 -4.726 0.202) 4.731 13.777 ( 0.000 4.726 0.202) 4.731 14.151 ( 0.000 -4.695 0.577) 4.730 14.151 ( 0.000 4.695 0.577) 4.730 14.722 ( 0.000 -2.622 3.519) 4.388 14.722 ( 0.000 2.622 3.519) 4.388 14.760 ( 0.000 -7.357 3.877) 8.316 14.760 ( 0.000 7.357 3.877) 8.316 15.791 ( 0.000 -7.290 -13.085) 14.979 15.791 ( 0.000 7.290 -13.085) 14.979 16.152 ( 0.000 -2.988 -11.041) 11.438 16.152 ( 0.000 2.988 -11.041) 11.438 17.535 ( 0.000 -1.043 7.387) 7.460 17.535 ( 0.000 1.043 7.387) 7.460 17.646 ( 0.000 -0.001 0.764) 0.764 17.646 ( 0.000 0.001 0.764) 0.764 19.622 ( 0.000 -2.479 -0.345) 2.503 19.622 ( 0.000 2.479 -0.345) 2.503 19.919 ( 0.000 -3.643 1.137) 3.816 19.919 ( 0.000 3.643 1.137) 3.816 21.882 ( 0.000 -0.986 0.228) 1.012 21.882 ( 0.000 0.986 0.228) 1.012 22.165 ( 0.000 -1.580 -0.167) 1.589 22.165 ( 0.000 1.580 -0.167) 1.589 22.826 ( 0.000 -0.252 0.039) 0.255 22.826 ( 0.000 0.252 0.039) 0.255 23.083 ( 0.000 -0.264 0.086) 0.278 23.083 ( 0.000 0.264 0.086) 0.278 ======================= Grid point 187 (71/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 5.707 -1.489 -0.198) 5.901 2.630 ( 5.707 1.489 -0.198) 5.901 3.073 ( -5.901 -1.026 0.907) 6.058 3.073 ( -5.901 1.026 0.907) 6.058 3.135 ( 2.535 -1.574 0.117) 2.986 3.135 ( 2.535 1.574 0.117) 2.986 3.271 ( 2.922 -1.927 -0.918) 3.619 3.271 ( 2.922 1.927 -0.918) 3.619 3.545 ( -3.313 -0.906 1.232) 3.649 3.545 ( -3.313 0.906 1.232) 3.649 3.597 ( -3.012 -2.337 1.215) 4.002 3.597 ( -3.012 2.337 1.215) 4.002 3.775 ( 4.237 -1.757 1.805) 4.929 3.775 ( 4.237 1.757 1.805) 4.929 4.005 ( -0.633 -2.182 -1.786) 2.890 4.005 ( -0.633 2.182 -1.786) 2.890 4.590 ( -0.070 -0.972 1.134) 1.495 4.590 ( -0.070 0.972 1.134) 1.495 4.892 ( -6.661 -1.596 4.768) 8.346 4.892 ( -6.661 1.596 4.769) 8.346 5.152 ( 5.415 -2.846 0.176) 6.120 5.152 ( 5.415 2.846 0.176) 6.120 5.267 ( 2.049 -0.852 -7.589) 7.907 5.267 ( 2.049 0.853 -7.589) 7.907 5.736 ( 0.965 -0.635 0.026) 1.155 5.736 ( 0.965 0.635 0.026) 1.155 5.987 ( -3.792 -1.503 -1.401) 4.313 5.987 ( -3.792 1.503 -1.401) 4.313 7.133 ( 4.827 -0.550 0.522) 4.886 7.133 ( 4.827 0.550 0.522) 4.886 7.467 ( -2.565 -4.422 1.730) 5.397 7.467 ( -2.565 4.423 1.730) 5.397 7.542 ( -0.040 -2.716 2.077) 3.419 7.542 ( -0.040 2.716 2.077) 3.419 7.604 ( -0.473 -2.392 -4.684) 5.280 7.604 ( -0.473 2.392 -4.684) 5.280 8.059 ( 3.878 -2.159 -0.513) 4.469 8.059 ( 3.878 2.160 -0.513) 4.469 8.221 ( -0.010 -2.698 -0.726) 2.794 8.221 ( -0.010 2.699 -0.726) 2.795 8.737 ( 2.167 -2.871 -1.167) 3.782 8.737 ( 2.167 2.871 -1.167) 3.782 8.836 ( -0.353 -3.745 0.439) 3.787 8.836 ( -0.353 3.745 0.439) 3.787 9.282 ( 0.728 -2.623 1.825) 3.277 9.282 ( 0.728 2.623 1.825) 3.278 9.390 ( -1.159 -3.873 -0.577) 4.084 9.390 ( -1.159 3.873 -0.577) 4.084 9.837 ( 0.658 -2.624 -2.640) 3.780 9.837 ( 0.658 2.624 -2.640) 3.780 9.963 ( -3.039 -2.600 -0.447) 4.024 9.963 ( -3.039 2.600 -0.447) 4.024 10.558 ( 5.782 -2.281 0.356) 6.226 10.558 ( 5.782 2.281 0.356) 6.226 10.705 ( 1.271 -4.089 1.352) 4.490 10.705 ( 1.271 4.089 1.352) 4.490 11.003 ( 1.462 -1.670 -2.132) 3.078 11.003 ( 1.462 1.670 -2.132) 3.078 11.276 ( -1.636 -2.968 1.409) 3.670 11.276 ( -1.636 2.969 1.409) 3.670 11.929 ( -2.361 -3.236 5.298) 6.641 11.929 ( -2.361 3.236 5.298) 6.642 12.351 ( -14.411 -0.703 -1.935) 14.557 12.351 ( -14.411 0.703 -1.935) 14.557 13.224 ( 5.138 -4.835 6.127) 9.345 13.224 ( 5.138 4.835 6.127) 9.345 13.542 ( -4.808 -1.532 2.483) 5.624 13.542 ( -4.808 1.532 2.483) 5.624 13.861 ( 6.477 -5.104 0.107) 8.247 13.861 ( 6.477 5.104 0.107) 8.247 14.143 ( -1.121 -5.529 0.307) 5.650 14.143 ( -1.122 5.529 0.307) 5.650 14.728 ( 0.626 -3.589 3.090) 4.777 14.728 ( 0.626 3.589 3.090) 4.777 14.761 ( 0.035 -7.295 3.108) 7.929 14.761 ( 0.035 7.295 3.108) 7.929 15.838 ( 4.496 -6.648 -12.581) 14.923 15.838 ( 4.496 6.648 -12.581) 14.923 16.130 ( -2.233 -3.186 -11.061) 11.725 16.130 ( -2.233 3.186 -11.061) 11.725 17.539 ( 0.427 -1.002 6.793) 6.880 17.539 ( 0.427 1.002 6.793) 6.880 17.629 ( -1.631 -0.213 1.499) 2.225 17.629 ( -1.631 0.213 1.499) 2.225 19.652 ( 2.940 -2.649 -0.226) 3.964 19.652 ( 2.940 2.649 -0.226) 3.964 19.892 ( -2.615 -3.578 0.975) 4.537 19.892 ( -2.615 3.578 0.975) 4.537 21.900 ( 1.759 -1.037 0.195) 2.051 21.900 ( 1.759 1.037 0.195) 2.051 22.123 ( -3.858 -1.503 -0.122) 4.142 22.123 ( -3.858 1.503 -0.122) 4.142 22.866 ( 3.632 -0.240 0.039) 3.640 22.866 ( 3.632 0.240 0.039) 3.640 23.068 ( -1.499 -0.262 0.081) 1.524 23.068 ( -1.499 0.262 0.081) 1.524 ======================= Grid point 189 (72/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 8.231 -1.843 -0.541) 8.452 2.775 ( 8.231 1.843 -0.541) 8.452 2.936 ( -7.703 -1.506 -0.264) 7.853 2.936 ( -7.703 1.506 -0.264) 7.853 3.211 ( 4.620 -1.949 0.400) 5.030 3.211 ( 4.620 1.950 0.400) 5.030 3.288 ( -1.956 -2.258 -0.501) 3.030 3.288 ( -1.956 2.259 -0.501) 3.030 3.496 ( -0.295 -0.533 2.038) 2.127 3.496 ( -0.295 0.533 2.038) 2.127 3.533 ( -3.134 -2.247 1.615) 4.181 3.533 ( -3.134 2.247 1.615) 4.181 3.870 ( 5.113 -1.676 0.197) 5.384 3.870 ( 5.113 1.676 0.197) 5.384 3.962 ( -3.709 -2.036 -0.814) 4.309 3.962 ( -3.709 2.036 -0.814) 4.309 4.629 ( 4.323 -0.828 2.573) 5.098 4.629 ( 4.323 0.828 2.573) 5.098 4.750 ( -7.189 -0.167 4.251) 8.353 4.750 ( -7.189 0.167 4.251) 8.353 5.249 ( 3.865 -2.493 -3.252) 5.633 5.249 ( 3.865 2.493 -3.252) 5.633 5.291 ( -0.228 -1.549 -5.483) 5.702 5.291 ( -0.228 1.549 -5.483) 5.702 5.784 ( 4.082 -1.295 -0.238) 4.289 5.784 ( 4.082 1.295 -0.238) 4.289 5.888 ( -5.716 -1.450 -0.788) 5.949 5.888 ( -5.716 1.450 -0.788) 5.949 7.254 ( 6.788 -0.315 0.444) 6.810 7.254 ( 6.788 0.316 0.444) 6.810 7.382 ( -5.700 -0.941 1.105) 5.882 7.382 ( -5.700 0.941 1.105) 5.882 7.557 ( 1.240 -3.467 0.447) 3.709 7.557 ( 1.240 3.467 0.447) 3.709 7.584 ( -1.367 -2.109 -2.558) 3.587 7.584 ( -1.367 2.110 -2.559) 3.587 8.147 ( 4.227 -2.840 -0.437) 5.112 8.147 ( 4.227 2.841 -0.437) 5.112 8.207 ( -1.702 -2.811 -0.541) 3.330 8.207 ( -1.702 2.812 -0.541) 3.331 8.786 ( 2.407 -2.761 -0.408) 3.686 8.786 ( 2.407 2.761 -0.408) 3.686 8.822 ( -1.184 -3.213 0.134) 3.427 8.822 ( -1.184 3.213 0.134) 3.427 9.308 ( 1.984 -5.063 2.417) 5.951 9.308 ( 1.984 5.064 2.417) 5.951 9.354 ( -2.314 -5.551 1.064) 6.107 9.354 ( -2.314 5.551 1.064) 6.107 9.856 ( 1.438 -3.396 -2.802) 4.631 9.856 ( 1.438 3.396 -2.802) 4.632 9.900 ( -2.926 -4.267 -2.835) 5.900 9.900 ( -2.926 4.267 -2.835) 5.900 10.671 ( 4.314 -3.431 -0.182) 5.515 10.671 ( 4.314 3.431 -0.182) 5.515 10.717 ( -0.522 -4.001 0.695) 4.094 10.717 ( -0.521 4.001 0.695) 4.094 11.082 ( 6.604 -1.191 -0.055) 6.711 11.082 ( 6.604 1.191 -0.055) 6.711 11.214 ( -5.153 -1.721 1.226) 5.569 11.214 ( -5.153 1.721 1.226) 5.569 11.912 ( 2.129 -3.300 3.017) 4.952 11.912 ( 2.129 3.300 3.017) 4.952 12.058 ( -12.615 -1.882 -0.902) 12.786 12.058 ( -12.615 1.882 -0.902) 12.786 13.332 ( 5.540 -3.837 6.305) 9.228 13.332 ( 5.540 3.837 6.305) 9.228 13.441 ( -5.335 -2.501 4.456) 7.387 13.441 ( -5.335 2.501 4.456) 7.387 13.992 ( 6.193 -6.078 -0.097) 8.678 13.992 ( 6.193 6.078 -0.097) 8.678 14.094 ( -3.922 -6.388 -0.020) 7.496 14.094 ( -3.922 6.388 -0.020) 7.496 14.744 ( 0.892 -5.438 2.214) 5.939 14.744 ( 0.892 5.438 2.214) 5.939 14.758 ( -0.420 -6.781 2.069) 7.102 14.758 ( -0.420 6.781 2.069) 7.102 15.950 ( 6.142 -5.216 -11.710) 14.215 15.950 ( 6.142 5.216 -11.710) 14.215 16.061 ( -4.713 -3.906 -11.209) 12.772 16.061 ( -4.713 3.906 -11.209) 12.772 17.555 ( 1.300 -0.871 5.252) 5.480 17.555 ( 1.300 0.871 5.252) 5.480 17.590 ( -2.053 -0.596 3.269) 3.906 17.590 ( -2.053 0.596 3.269) 3.906 19.730 ( 4.554 -3.020 0.112) 5.466 19.730 ( 4.554 3.020 0.112) 5.466 19.821 ( -4.356 -3.368 0.571) 5.536 19.821 ( -4.356 3.368 0.571) 5.536 21.952 ( 3.466 -1.173 0.103) 3.660 21.952 ( 3.466 1.174 0.103) 3.660 22.034 ( -4.608 -1.347 -0.016) 4.800 22.034 ( -4.608 1.347 -0.016) 4.800 22.949 ( 4.237 -0.249 0.049) 4.245 22.949 ( 4.237 0.249 0.049) 4.245 23.023 ( -3.074 -0.259 0.066) 3.086 23.023 ( -3.074 0.259 0.066) 3.086 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/33600 10.0 4888.663 4458.334 5498.718 0.000 0.000 0.000 3/33600 20.0 1224.687 1757.513 1354.880 0.000 0.000 -0.000 3/33600 30.0 402.993 639.727 455.890 0.000 0.000 -0.000 3/33600 40.0 190.076 315.375 216.355 0.000 0.000 -0.000 3/33600 50.0 111.557 188.986 127.057 0.000 0.000 -0.000 3/33600 60.0 74.401 127.666 84.798 0.000 0.000 -0.000 3/33600 70.0 53.827 93.283 61.415 0.000 0.000 -0.000 3/33600 80.0 41.191 72.002 47.055 0.000 0.000 -0.000 3/33600 90.0 32.849 57.863 37.570 0.000 0.000 -0.000 3/33600 100.0 27.038 47.958 30.959 0.000 0.000 -0.000 3/33600 110.0 22.818 40.727 26.153 0.000 0.000 -0.000 3/33600 120.0 19.648 35.268 22.541 0.000 0.000 -0.000 3/33600 130.0 17.201 31.034 19.749 0.000 0.000 -0.000 3/33600 140.0 15.265 27.672 17.541 0.000 0.000 -0.000 3/33600 150.0 13.704 24.950 15.759 0.000 0.000 -0.000 3/33600 160.0 12.423 22.708 14.296 0.000 0.000 -0.000 3/33600 170.0 11.356 20.834 13.077 0.000 0.000 -0.000 3/33600 180.0 10.454 19.247 12.047 0.000 0.000 -0.000 3/33600 190.0 9.684 17.888 11.167 0.000 0.000 -0.000 3/33600 200.0 9.020 16.711 10.407 0.000 0.000 -0.000 3/33600 210.0 8.440 15.684 9.745 0.000 0.000 -0.000 3/33600 220.0 7.932 14.779 9.163 0.000 0.000 -0.000 3/33600 230.0 7.482 13.977 8.648 0.000 0.000 -0.000 3/33600 240.0 7.081 13.260 8.189 0.000 0.000 -0.000 3/33600 250.0 6.721 12.616 7.777 0.000 0.000 -0.000 3/33600 260.0 6.398 12.034 7.406 0.000 0.000 -0.000 3/33600 270.0 6.104 11.506 7.070 0.000 0.000 -0.000 3/33600 280.0 5.837 11.024 6.764 0.000 0.000 -0.000 3/33600 290.0 5.593 10.583 6.484 0.000 0.000 -0.000 3/33600 300.0 5.369 10.177 6.227 0.000 0.000 -0.000 3/33600 310.0 5.163 9.803 5.990 0.000 0.000 -0.000 3/33600 320.0 4.973 9.456 5.771 0.000 0.000 -0.000 3/33600 330.0 4.796 9.134 5.569 0.000 0.000 -0.000 3/33600 340.0 4.632 8.834 5.380 0.000 0.000 -0.000 3/33600 350.0 4.479 8.554 5.204 0.000 0.000 -0.000 3/33600 360.0 4.337 8.292 5.040 0.000 0.000 -0.000 3/33600 370.0 4.203 8.046 4.886 0.000 0.000 -0.000 3/33600 380.0 4.078 7.815 4.742 0.000 0.000 -0.000 3/33600 390.0 3.960 7.597 4.606 0.000 0.000 -0.000 3/33600 400.0 3.849 7.391 4.478 0.000 0.000 -0.000 3/33600 410.0 3.744 7.197 4.357 0.000 0.000 -0.000 3/33600 420.0 3.645 7.013 4.242 0.000 0.000 -0.000 3/33600 430.0 3.551 6.838 4.134 0.000 0.000 -0.000 3/33600 440.0 3.462 6.672 4.031 0.000 0.000 -0.000 3/33600 450.0 3.378 6.514 3.934 0.000 0.000 -0.000 3/33600 460.0 3.297 6.364 3.841 0.000 0.000 -0.000 3/33600 470.0 3.221 6.221 3.752 0.000 0.000 -0.000 3/33600 480.0 3.148 6.084 3.668 0.000 0.000 -0.000 3/33600 490.0 3.078 5.953 3.587 0.000 0.000 -0.000 3/33600 500.0 3.012 5.828 3.510 0.000 0.000 -0.000 3/33600 510.0 2.948 5.708 3.436 0.000 0.000 -0.000 3/33600 520.0 2.887 5.594 3.366 0.000 0.000 -0.000 3/33600 530.0 2.829 5.483 3.298 0.000 0.000 -0.000 3/33600 540.0 2.773 5.377 3.233 0.000 0.000 -0.000 3/33600 550.0 2.719 5.276 3.171 0.000 0.000 -0.000 3/33600 560.0 2.667 5.178 3.111 0.000 0.000 -0.000 3/33600 570.0 2.617 5.083 3.053 0.000 0.000 -0.000 3/33600 580.0 2.569 4.992 2.998 0.000 0.000 -0.000 3/33600 590.0 2.523 4.905 2.944 0.000 0.000 -0.000 3/33600 600.0 2.479 4.820 2.892 0.000 0.000 -0.000 3/33600 610.0 2.436 4.739 2.843 0.000 0.000 -0.000 3/33600 620.0 2.395 4.660 2.795 0.000 0.000 -0.000 3/33600 630.0 2.355 4.584 2.748 0.000 0.000 -0.000 3/33600 640.0 2.316 4.510 2.703 0.000 0.000 -0.000 3/33600 650.0 2.279 4.439 2.660 0.000 0.000 -0.000 3/33600 660.0 2.242 4.369 2.618 0.000 0.000 -0.000 3/33600 670.0 2.207 4.302 2.577 0.000 0.000 -0.000 3/33600 680.0 2.173 4.238 2.538 0.000 0.000 -0.000 3/33600 690.0 2.141 4.175 2.499 0.000 0.000 -0.000 3/33600 700.0 2.109 4.114 2.462 0.000 0.000 -0.000 3/33600 710.0 2.078 4.054 2.426 0.000 0.000 -0.000 3/33600 720.0 2.048 3.997 2.392 0.000 0.000 -0.000 3/33600 730.0 2.019 3.941 2.358 0.000 0.000 -0.000 3/33600 740.0 1.990 3.886 2.325 0.000 0.000 -0.000 3/33600 750.0 1.963 3.833 2.293 0.000 0.000 -0.000 3/33600 760.0 1.936 3.782 2.261 0.000 0.000 -0.000 3/33600 770.0 1.910 3.732 2.231 0.000 0.000 -0.000 3/33600 780.0 1.885 3.683 2.202 0.000 0.000 -0.000 3/33600 790.0 1.860 3.636 2.173 0.000 0.000 -0.000 3/33600 800.0 1.836 3.589 2.145 0.000 0.000 -0.000 3/33600 810.0 1.813 3.544 2.118 0.000 0.000 -0.000 3/33600 820.0 1.790 3.500 2.091 0.000 0.000 -0.000 3/33600 830.0 1.768 3.457 2.065 0.000 0.000 -0.000 3/33600 840.0 1.746 3.416 2.040 0.000 0.000 -0.000 3/33600 850.0 1.725 3.375 2.015 0.000 0.000 -0.000 3/33600 860.0 1.704 3.335 1.991 0.000 0.000 -0.000 3/33600 870.0 1.684 3.296 1.968 0.000 0.000 -0.000 3/33600 880.0 1.664 3.258 1.945 0.000 0.000 -0.000 3/33600 890.0 1.645 3.221 1.923 0.000 0.000 -0.000 3/33600 900.0 1.626 3.185 1.901 0.000 0.000 -0.000 3/33600 910.0 1.608 3.149 1.879 0.000 0.000 -0.000 3/33600 920.0 1.590 3.114 1.859 0.000 0.000 -0.000 3/33600 930.0 1.573 3.080 1.838 0.000 0.000 -0.000 3/33600 940.0 1.556 3.047 1.818 0.000 0.000 -0.000 3/33600 950.0 1.539 3.015 1.799 0.000 0.000 -0.000 3/33600 960.0 1.522 2.983 1.780 0.000 0.000 -0.000 3/33600 970.0 1.506 2.952 1.761 0.000 0.000 -0.000 3/33600 980.0 1.491 2.921 1.743 0.000 0.000 -0.000 3/33600 990.0 1.475 2.892 1.725 0.000 0.000 -0.000 3/33600 1000.0 1.460 2.862 1.707 0.000 0.000 -0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:11:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|