----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:55:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.996350990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.923918999999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.720720529999999 Atomic positions (fractional): *1 O 0.27589745956184 0.06817849787836 0.46668832214155 15.999 2 O 0.27589745956184 0.43182150212164 0.53331167785845 15.999 3 O 0.72410254043816 0.56817849787836 0.03331167785845 15.999 4 O 0.72410254043816 0.93182150212164 0.96668832214155 15.999 5 O 0.72410254043816 0.93182150212164 0.53331167785845 15.999 6 O 0.72410254043816 0.56817849787836 0.46668832214155 15.999 7 O 0.27589745956184 0.43182150212164 0.96668832214155 15.999 8 O 0.27589745956184 0.06817849787836 0.03331167785845 15.999 *9 O 0.05667447234917 0.75957508675081 0.37871200637712 15.999 10 O 0.05667447234917 0.75957508675081 0.12128799362288 15.999 11 O 0.94332552765083 0.25957508675081 0.12128799362288 15.999 12 O 0.94332552765083 0.24042491324919 0.87871200637712 15.999 13 O 0.94332552765083 0.24042491324919 0.62128799362288 15.999 14 O 0.94332552765083 0.25957508675081 0.37871200637712 15.999 15 O 0.05667447234917 0.74042491324919 0.87871200637712 15.999 16 O 0.05667447234917 0.74042491324919 0.62128799362288 15.999 *17 Si 0.11170803757427 0.25000000000000 0.00000000000000 28.085 18 Si 0.88829196242573 0.75000000000000 0.00000000000000 28.085 19 Si 0.88829196242573 0.75000000000000 0.50000000000000 28.085 20 Si 0.11170803757427 0.25000000000000 0.50000000000000 28.085 *21 Se 0.58075450007264 0.61980210721136 0.75000000000000 78.960 22 Se 0.58075450007264 0.88019789278864 0.25000000000000 78.960 23 Se 0.41924549992736 0.11980210721136 0.75000000000000 78.960 24 Se 0.41924549992736 0.38019789278864 0.25000000000000 78.960 *25 Tb 0.39305378160689 0.75000000000000 0.50000000000000 158.925 26 Tb 0.39305378160689 0.75000000000000 0.00000000000000 158.925 27 Tb 0.60694621839311 0.25000000000000 0.50000000000000 158.925 28 Tb 0.60694621839311 0.25000000000000 0.00000000000000 158.925 *29 Tb 0.86867891550257 0.97050623463960 0.75000000000000 158.925 30 Tb 0.86867891550257 0.52949376536040 0.25000000000000 158.925 31 Tb 0.13132108449743 0.47050623463960 0.75000000000000 158.925 32 Tb 0.13132108449743 0.02949376536040 0.25000000000000 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.996350990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.923918999999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.720720529999999 Atomic positions (fractional): *1 O 0.27589745956184 0.06817849787836 0.46668832214155 15.999 > 1 2 O 0.27589745956184 0.43182150212164 0.53331167785845 15.999 > 2 3 O 0.72410254043816 0.56817849787836 0.03331167785845 15.999 > 3 4 O 0.72410254043816 0.93182150212164 0.96668832214155 15.999 > 4 5 O 0.72410254043816 0.93182150212164 0.53331167785845 15.999 > 5 6 O 0.72410254043816 0.56817849787836 0.46668832214155 15.999 > 6 7 O 0.27589745956184 0.43182150212164 0.96668832214155 15.999 > 7 8 O 0.27589745956184 0.06817849787836 0.03331167785845 15.999 > 8 *9 O 0.05667447234917 0.75957508675081 0.37871200637712 15.999 > 9 10 O 0.05667447234917 0.75957508675081 0.12128799362288 15.999 > 10 11 O 0.94332552765083 0.25957508675081 0.12128799362288 15.999 > 11 12 O 0.94332552765083 0.24042491324919 0.87871200637712 15.999 > 12 13 O 0.94332552765083 0.24042491324919 0.62128799362288 15.999 > 13 14 O 0.94332552765083 0.25957508675081 0.37871200637712 15.999 > 14 15 O 0.05667447234917 0.74042491324919 0.87871200637712 15.999 > 15 16 O 0.05667447234917 0.74042491324919 0.62128799362288 15.999 > 16 *17 Si 0.11170803757427 0.25000000000000 0.00000000000000 28.085 > 17 18 Si 0.88829196242573 0.75000000000000 0.00000000000000 28.085 > 18 19 Si 0.88829196242573 0.75000000000000 0.50000000000000 28.085 > 19 20 Si 0.11170803757427 0.25000000000000 0.50000000000000 28.085 > 20 *21 Se 0.58075450007264 0.61980210721136 0.75000000000000 78.960 > 21 22 Se 0.58075450007264 0.88019789278864 0.25000000000000 78.960 > 22 23 Se 0.41924549992736 0.11980210721136 0.75000000000000 78.960 > 23 24 Se 0.41924549992736 0.38019789278864 0.25000000000000 78.960 > 24 *25 Tb 0.39305378160689 0.75000000000000 0.50000000000000 158.925 > 25 26 Tb 0.39305378160689 0.75000000000000 0.00000000000000 158.925 > 26 27 Tb 0.60694621839311 0.25000000000000 0.50000000000000 158.925 > 27 28 Tb 0.60694621839311 0.25000000000000 0.00000000000000 158.925 > 28 *29 Tb 0.86867891550257 0.97050623463960 0.75000000000000 158.925 > 29 30 Tb 0.86867891550257 0.52949376536040 0.25000000000000 158.925 > 30 31 Tb 0.13132108449743 0.47050623463960 0.75000000000000 158.925 > 31 32 Tb 0.13132108449743 0.02949376536040 0.25000000000000 158.925 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.992701980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.847837999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.720720529999999 Atomic positions (fractional): *1 O 0.13794872978092 0.03408924893918 0.46668832214155 15.999 > 1 2 O 0.63794872978092 0.03408924893918 0.46668832214155 15.999 > 1 3 O 0.13794872978092 0.53408924893918 0.46668832214155 15.999 > 1 4 O 0.63794872978092 0.53408924893918 0.46668832214155 15.999 > 1 5 O 0.13794872978092 0.21591075106082 0.53331167785845 15.999 > 2 6 O 0.63794872978092 0.21591075106082 0.53331167785845 15.999 > 2 7 O 0.13794872978092 0.71591075106082 0.53331167785845 15.999 > 2 8 O 0.63794872978092 0.71591075106082 0.53331167785845 15.999 > 2 9 O 0.36205127021908 0.28408924893918 0.03331167785845 15.999 > 3 10 O 0.86205127021908 0.28408924893918 0.03331167785845 15.999 > 3 11 O 0.36205127021908 0.78408924893918 0.03331167785845 15.999 > 3 12 O 0.86205127021908 0.78408924893918 0.03331167785845 15.999 > 3 13 O 0.36205127021908 0.46591075106082 0.96668832214155 15.999 > 4 14 O 0.86205127021908 0.46591075106082 0.96668832214155 15.999 > 4 15 O 0.36205127021908 0.96591075106082 0.96668832214155 15.999 > 4 16 O 0.86205127021908 0.96591075106082 0.96668832214155 15.999 > 4 17 O 0.36205127021908 0.46591075106082 0.53331167785845 15.999 > 5 18 O 0.86205127021908 0.46591075106082 0.53331167785845 15.999 > 5 19 O 0.36205127021908 0.96591075106082 0.53331167785845 15.999 > 5 20 O 0.86205127021908 0.96591075106082 0.53331167785845 15.999 > 5 21 O 0.36205127021908 0.28408924893918 0.46668832214155 15.999 > 6 22 O 0.86205127021908 0.28408924893918 0.46668832214155 15.999 > 6 23 O 0.36205127021908 0.78408924893918 0.46668832214155 15.999 > 6 24 O 0.86205127021908 0.78408924893918 0.46668832214155 15.999 > 6 25 O 0.13794872978092 0.21591075106082 0.96668832214155 15.999 > 7 26 O 0.63794872978092 0.21591075106082 0.96668832214155 15.999 > 7 27 O 0.13794872978092 0.71591075106082 0.96668832214155 15.999 > 7 28 O 0.63794872978092 0.71591075106082 0.96668832214155 15.999 > 7 29 O 0.13794872978092 0.03408924893918 0.03331167785845 15.999 > 8 30 O 0.63794872978092 0.03408924893918 0.03331167785845 15.999 > 8 31 O 0.13794872978092 0.53408924893918 0.03331167785845 15.999 > 8 32 O 0.63794872978092 0.53408924893918 0.03331167785845 15.999 > 8 *33 O 0.02833723617459 0.37978754337540 0.37871200637712 15.999 > 9 34 O 0.52833723617459 0.37978754337540 0.37871200637712 15.999 > 9 35 O 0.02833723617459 0.87978754337540 0.37871200637712 15.999 > 9 36 O 0.52833723617459 0.87978754337540 0.37871200637712 15.999 > 9 37 O 0.02833723617459 0.37978754337540 0.12128799362288 15.999 > 10 38 O 0.52833723617459 0.37978754337540 0.12128799362288 15.999 > 10 39 O 0.02833723617459 0.87978754337540 0.12128799362288 15.999 > 10 40 O 0.52833723617459 0.87978754337540 0.12128799362288 15.999 > 10 41 O 0.47166276382541 0.12978754337540 0.12128799362288 15.999 > 11 42 O 0.97166276382541 0.12978754337540 0.12128799362288 15.999 > 11 43 O 0.47166276382541 0.62978754337540 0.12128799362288 15.999 > 11 44 O 0.97166276382541 0.62978754337540 0.12128799362288 15.999 > 11 45 O 0.47166276382541 0.12021245662460 0.87871200637712 15.999 > 12 46 O 0.97166276382541 0.12021245662460 0.87871200637712 15.999 > 12 47 O 0.47166276382541 0.62021245662460 0.87871200637712 15.999 > 12 48 O 0.97166276382541 0.62021245662460 0.87871200637712 15.999 > 12 49 O 0.47166276382541 0.12021245662460 0.62128799362288 15.999 > 13 50 O 0.97166276382541 0.12021245662460 0.62128799362288 15.999 > 13 51 O 0.47166276382541 0.62021245662460 0.62128799362288 15.999 > 13 52 O 0.97166276382541 0.62021245662460 0.62128799362288 15.999 > 13 53 O 0.47166276382541 0.12978754337540 0.37871200637712 15.999 > 14 54 O 0.97166276382541 0.12978754337540 0.37871200637712 15.999 > 14 55 O 0.47166276382541 0.62978754337540 0.37871200637712 15.999 > 14 56 O 0.97166276382541 0.62978754337540 0.37871200637712 15.999 > 14 57 O 0.02833723617459 0.37021245662460 0.87871200637712 15.999 > 15 58 O 0.52833723617459 0.37021245662460 0.87871200637712 15.999 > 15 59 O 0.02833723617459 0.87021245662460 0.87871200637712 15.999 > 15 60 O 0.52833723617459 0.87021245662460 0.87871200637712 15.999 > 15 61 O 0.02833723617459 0.37021245662460 0.62128799362288 15.999 > 16 62 O 0.52833723617459 0.37021245662460 0.62128799362288 15.999 > 16 63 O 0.02833723617459 0.87021245662460 0.62128799362288 15.999 > 16 64 O 0.52833723617459 0.87021245662460 0.62128799362288 15.999 > 16 *65 Si 0.05585401878714 0.12500000000000 0.00000000000000 28.085 > 17 66 Si 0.55585401878714 0.12500000000000 0.00000000000000 28.085 > 17 67 Si 0.05585401878714 0.62500000000000 0.00000000000000 28.085 > 17 68 Si 0.55585401878714 0.62500000000000 0.00000000000000 28.085 > 17 69 Si 0.44414598121286 0.37500000000000 0.00000000000000 28.085 > 18 70 Si 0.94414598121286 0.37500000000000 0.00000000000000 28.085 > 18 71 Si 0.44414598121286 0.87500000000000 0.00000000000000 28.085 > 18 72 Si 0.94414598121286 0.87500000000000 0.00000000000000 28.085 > 18 73 Si 0.44414598121286 0.37500000000000 0.50000000000000 28.085 > 19 74 Si 0.94414598121286 0.37500000000000 0.50000000000000 28.085 > 19 75 Si 0.44414598121286 0.87500000000000 0.50000000000000 28.085 > 19 76 Si 0.94414598121286 0.87500000000000 0.50000000000000 28.085 > 19 77 Si 0.05585401878714 0.12500000000000 0.50000000000000 28.085 > 20 78 Si 0.55585401878714 0.12500000000000 0.50000000000000 28.085 > 20 79 Si 0.05585401878714 0.62500000000000 0.50000000000000 28.085 > 20 80 Si 0.55585401878714 0.62500000000000 0.50000000000000 28.085 > 20 *81 Se 0.29037725003632 0.30990105360568 0.75000000000000 78.960 > 21 82 Se 0.79037725003632 0.30990105360568 0.75000000000000 78.960 > 21 83 Se 0.29037725003632 0.80990105360568 0.75000000000000 78.960 > 21 84 Se 0.79037725003632 0.80990105360568 0.75000000000000 78.960 > 21 85 Se 0.29037725003632 0.44009894639432 0.25000000000000 78.960 > 22 86 Se 0.79037725003632 0.44009894639432 0.25000000000000 78.960 > 22 87 Se 0.29037725003632 0.94009894639432 0.25000000000000 78.960 > 22 88 Se 0.79037725003632 0.94009894639432 0.25000000000000 78.960 > 22 89 Se 0.20962274996368 0.05990105360568 0.75000000000000 78.960 > 23 90 Se 0.70962274996368 0.05990105360568 0.75000000000000 78.960 > 23 91 Se 0.20962274996368 0.55990105360568 0.75000000000000 78.960 > 23 92 Se 0.70962274996368 0.55990105360568 0.75000000000000 78.960 > 23 93 Se 0.20962274996368 0.19009894639432 0.25000000000000 78.960 > 24 94 Se 0.70962274996368 0.19009894639432 0.25000000000000 78.960 > 24 95 Se 0.20962274996368 0.69009894639432 0.25000000000000 78.960 > 24 96 Se 0.70962274996368 0.69009894639432 0.25000000000000 78.960 > 24 *97 Tb 0.19652689080344 0.37500000000000 0.50000000000000 158.925 > 25 98 Tb 0.69652689080344 0.37500000000000 0.50000000000000 158.925 > 25 99 Tb 0.19652689080344 0.87500000000000 0.50000000000000 158.925 > 25 100 Tb 0.69652689080344 0.87500000000000 0.50000000000000 158.925 > 25 101 Tb 0.19652689080344 0.37500000000000 0.00000000000000 158.925 > 26 102 Tb 0.69652689080344 0.37500000000000 0.00000000000000 158.925 > 26 103 Tb 0.19652689080344 0.87500000000000 0.00000000000000 158.925 > 26 104 Tb 0.69652689080344 0.87500000000000 0.00000000000000 158.925 > 26 105 Tb 0.30347310919656 0.12500000000000 0.50000000000000 158.925 > 27 106 Tb 0.80347310919656 0.12500000000000 0.50000000000000 158.925 > 27 107 Tb 0.30347310919656 0.62500000000000 0.50000000000000 158.925 > 27 108 Tb 0.80347310919656 0.62500000000000 0.50000000000000 158.925 > 27 109 Tb 0.30347310919656 0.12500000000000 0.00000000000000 158.925 > 28 110 Tb 0.80347310919656 0.12500000000000 0.00000000000000 158.925 > 28 111 Tb 0.30347310919656 0.62500000000000 0.00000000000000 158.925 > 28 112 Tb 0.80347310919656 0.62500000000000 0.00000000000000 158.925 > 28 *113 Tb 0.43433945775129 0.48525311731980 0.75000000000000 158.925 > 29 114 Tb 0.93433945775129 0.48525311731980 0.75000000000000 158.925 > 29 115 Tb 0.43433945775129 0.98525311731980 0.75000000000000 158.925 > 29 116 Tb 0.93433945775129 0.98525311731980 0.75000000000000 158.925 > 29 117 Tb 0.43433945775129 0.26474688268020 0.25000000000000 158.925 > 30 118 Tb 0.93433945775129 0.26474688268020 0.25000000000000 158.925 > 30 119 Tb 0.43433945775129 0.76474688268020 0.25000000000000 158.925 > 30 120 Tb 0.93433945775129 0.76474688268020 0.25000000000000 158.925 > 30 121 Tb 0.06566054224871 0.23525311731980 0.75000000000000 158.925 > 31 122 Tb 0.56566054224871 0.23525311731980 0.75000000000000 158.925 > 31 123 Tb 0.06566054224871 0.73525311731980 0.75000000000000 158.925 > 31 124 Tb 0.56566054224871 0.73525311731980 0.75000000000000 158.925 > 31 125 Tb 0.06566054224871 0.01474688268020 0.25000000000000 158.925 > 32 126 Tb 0.56566054224871 0.01474688268020 0.25000000000000 158.925 > 32 127 Tb 0.06566054224871 0.51474688268020 0.25000000000000 158.925 > 32 128 Tb 0.56566054224871 0.51474688268020 0.25000000000000 158.925 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2967708 0.0000000 0.0000000 0.0000000 5.5853313 0.0000000 0.0000000 0.0000000 5.3140896 -------------------------- Born effective charges -------------------------- 1 O -2.1250151 0.2101089 -0.0822926 0.3267318 -2.5297519 -0.1934617 -0.0886025 -0.1397498 -2.3397873 2 O -2.1250151 -0.2101089 0.0822926 -0.3267318 -2.5297519 -0.1934617 0.0886025 -0.1397498 -2.3397873 3 O -2.1250151 -0.2101089 -0.0822926 -0.3267318 -2.5297519 0.1934617 -0.0886025 0.1397498 -2.3397873 4 O -2.1250151 0.2101089 0.0822926 0.3267318 -2.5297519 0.1934617 0.0886025 0.1397498 -2.3397873 5 O -2.1250151 0.2101089 -0.0822926 0.3267318 -2.5297519 -0.1934617 -0.0886025 -0.1397498 -2.3397873 6 O -2.1250151 -0.2101089 0.0822926 -0.3267318 -2.5297519 -0.1934617 0.0886025 -0.1397498 -2.3397873 7 O -2.1250151 -0.2101089 -0.0822926 -0.3267318 -2.5297519 0.1934617 -0.0886025 0.1397498 -2.3397873 8 O -2.1250151 0.2101089 0.0822926 0.3267318 -2.5297519 0.1934617 0.0886025 0.1397498 -2.3397873 9 O -2.6536157 -0.3450256 0.0194834 -0.1984942 -1.9443382 0.1449130 -0.0663385 0.0599285 -2.3939900 10 O -2.6536157 -0.3450256 -0.0194834 -0.1984942 -1.9443382 -0.1449130 0.0663385 -0.0599285 -2.3939900 11 O -2.6536157 0.3450256 0.0194834 0.1984942 -1.9443382 -0.1449130 -0.0663385 -0.0599285 -2.3939900 12 O -2.6536157 -0.3450256 -0.0194834 -0.1984942 -1.9443382 -0.1449130 0.0663385 -0.0599285 -2.3939900 13 O -2.6536157 -0.3450256 0.0194834 -0.1984942 -1.9443382 0.1449130 -0.0663385 0.0599285 -2.3939900 14 O -2.6536157 0.3450256 -0.0194834 0.1984942 -1.9443382 0.1449130 0.0663385 0.0599285 -2.3939900 15 O -2.6536157 0.3450256 0.0194834 0.1984942 -1.9443382 -0.1449130 -0.0663385 -0.0599285 -2.3939900 16 O -2.6536157 0.3450256 -0.0194834 0.1984942 -1.9443382 0.1449130 0.0663385 0.0599285 -2.3939900 17 Si 3.7795019 -0.0000000 0.0000000 -0.0000000 2.7085310 -0.0047242 0.0000000 -0.1914885 3.6950992 18 Si 3.7795019 -0.0000000 0.0000000 -0.0000000 2.7085310 -0.0047242 0.0000000 -0.1914885 3.6950992 19 Si 3.7795019 -0.0000000 0.0000000 -0.0000000 2.7085310 0.0047242 0.0000000 0.1914885 3.6950992 20 Si 3.7795019 -0.0000000 0.0000000 -0.0000000 2.7085310 0.0047242 0.0000000 0.1914885 3.6950992 21 Se -2.2641781 -0.3404331 0.0000000 -0.3827011 -2.1432184 0.0000000 0.0000000 0.0000000 -2.1092901 22 Se -2.2641781 0.3404331 0.0000000 0.3827011 -2.1432184 0.0000000 0.0000000 0.0000000 -2.1092901 23 Se -2.2641781 0.3404331 0.0000000 0.3827011 -2.1432184 0.0000000 0.0000000 0.0000000 -2.1092901 24 Se -2.2641781 -0.3404331 0.0000000 -0.3827011 -2.1432184 0.0000000 0.0000000 0.0000000 -2.1092901 25 Tb 3.8223619 -0.0000000 0.0000000 -0.0000000 4.2488391 0.0462673 0.0000000 -0.1687566 4.2823968 26 Tb 3.8223619 -0.0000000 0.0000000 -0.0000000 4.2488391 -0.0462673 0.0000000 0.1687566 4.2823968 27 Tb 3.8223619 -0.0000000 0.0000000 -0.0000000 4.2488391 0.0462673 0.0000000 -0.1687566 4.2823968 28 Tb 3.8223619 -0.0000000 0.0000000 -0.0000000 4.2488391 -0.0462673 0.0000000 0.1687566 4.2823968 29 Tb 4.2195760 0.2251012 0.0000000 0.1122157 4.1340286 0.0000000 0.0000000 0.0000000 3.5993488 30 Tb 4.2195760 -0.2251012 0.0000000 -0.1122157 4.1340286 0.0000000 0.0000000 0.0000000 3.5993488 31 Tb 4.2195760 -0.2251012 0.0000000 -0.1122157 4.1340286 0.0000000 0.0000000 0.0000000 3.5993488 32 Tb 4.2195760 0.2251012 0.0000000 0.1122157 4.1340286 0.0000000 0.0000000 0.0000000 3.5993488 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 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: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.845 Solver_block: 200 / 480 - Time: 0.739 Solver_block: 300 / 480 - Time: 0.739 Solver_block: 400 / 480 - Time: 0.764 Solver_block: 480 / 480 - Time: 0.604 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.865 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 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: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:56:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:56:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.996350990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.923918999999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.720720529999999 Atomic positions (fractional): 1 O 0.27589745956184 0.06817849787836 0.46668832214155 15.999 2 O 0.27589745956184 0.43182150212164 0.53331167785845 15.999 3 O 0.72410254043816 0.56817849787836 0.03331167785845 15.999 4 O 0.72410254043816 0.93182150212164 0.96668832214155 15.999 5 O 0.72410254043816 0.93182150212164 0.53331167785845 15.999 6 O 0.72410254043816 0.56817849787836 0.46668832214155 15.999 7 O 0.27589745956184 0.43182150212164 0.96668832214155 15.999 8 O 0.27589745956184 0.06817849787836 0.03331167785845 15.999 9 O 0.05667447234917 0.75957508675081 0.37871200637712 15.999 10 O 0.05667447234917 0.75957508675081 0.12128799362288 15.999 11 O 0.94332552765083 0.25957508675081 0.12128799362288 15.999 12 O 0.94332552765083 0.24042491324919 0.87871200637712 15.999 13 O 0.94332552765083 0.24042491324919 0.62128799362288 15.999 14 O 0.94332552765083 0.25957508675081 0.37871200637712 15.999 15 O 0.05667447234917 0.74042491324919 0.87871200637712 15.999 16 O 0.05667447234917 0.74042491324919 0.62128799362288 15.999 17 Si 0.11170803757427 0.25000000000000 0.00000000000000 28.085 18 Si 0.88829196242573 0.75000000000000 0.00000000000000 28.085 19 Si 0.88829196242573 0.75000000000000 0.50000000000000 28.085 20 Si 0.11170803757427 0.25000000000000 0.50000000000000 28.085 21 Se 0.58075450007264 0.61980210721136 0.75000000000000 78.960 22 Se 0.58075450007264 0.88019789278864 0.25000000000000 78.960 23 Se 0.41924549992736 0.11980210721136 0.75000000000000 78.960 24 Se 0.41924549992736 0.38019789278864 0.25000000000000 78.960 25 Tb 0.39305378160689 0.75000000000000 0.50000000000000 158.925 26 Tb 0.39305378160689 0.75000000000000 0.00000000000000 158.925 27 Tb 0.60694621839311 0.25000000000000 0.50000000000000 158.925 28 Tb 0.60694621839311 0.25000000000000 0.00000000000000 158.925 29 Tb 0.86867891550257 0.97050623463960 0.75000000000000 158.925 30 Tb 0.86867891550257 0.52949376536040 0.25000000000000 158.925 31 Tb 0.13132108449743 0.47050623463960 0.75000000000000 158.925 32 Tb 0.13132108449743 0.02949376536040 0.25000000000000 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.992701980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.847837999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.720720529999999 Atomic positions (fractional): 1 O 0.13794872978092 0.03408924893918 0.46668832214155 15.999 > 1 2 O 0.63794872978092 0.03408924893918 0.46668832214155 15.999 > 1 3 O 0.13794872978092 0.53408924893918 0.46668832214155 15.999 > 1 4 O 0.63794872978092 0.53408924893918 0.46668832214155 15.999 > 1 5 O 0.13794872978092 0.21591075106082 0.53331167785845 15.999 > 5 6 O 0.63794872978092 0.21591075106082 0.53331167785845 15.999 > 5 7 O 0.13794872978092 0.71591075106082 0.53331167785845 15.999 > 5 8 O 0.63794872978092 0.71591075106082 0.53331167785845 15.999 > 5 9 O 0.36205127021908 0.28408924893918 0.03331167785845 15.999 > 9 10 O 0.86205127021908 0.28408924893918 0.03331167785845 15.999 > 9 11 O 0.36205127021908 0.78408924893918 0.03331167785845 15.999 > 9 12 O 0.86205127021908 0.78408924893918 0.03331167785845 15.999 > 9 13 O 0.36205127021908 0.46591075106082 0.96668832214155 15.999 > 13 14 O 0.86205127021908 0.46591075106082 0.96668832214155 15.999 > 13 15 O 0.36205127021908 0.96591075106082 0.96668832214155 15.999 > 13 16 O 0.86205127021908 0.96591075106082 0.96668832214155 15.999 > 13 17 O 0.36205127021908 0.46591075106082 0.53331167785845 15.999 > 17 18 O 0.86205127021908 0.46591075106082 0.53331167785845 15.999 > 17 19 O 0.36205127021908 0.96591075106082 0.53331167785845 15.999 > 17 20 O 0.86205127021908 0.96591075106082 0.53331167785845 15.999 > 17 21 O 0.36205127021908 0.28408924893918 0.46668832214155 15.999 > 21 22 O 0.86205127021908 0.28408924893918 0.46668832214155 15.999 > 21 23 O 0.36205127021908 0.78408924893918 0.46668832214155 15.999 > 21 24 O 0.86205127021908 0.78408924893918 0.46668832214155 15.999 > 21 25 O 0.13794872978092 0.21591075106082 0.96668832214155 15.999 > 25 26 O 0.63794872978092 0.21591075106082 0.96668832214155 15.999 > 25 27 O 0.13794872978092 0.71591075106082 0.96668832214155 15.999 > 25 28 O 0.63794872978092 0.71591075106082 0.96668832214155 15.999 > 25 29 O 0.13794872978092 0.03408924893918 0.03331167785845 15.999 > 29 30 O 0.63794872978092 0.03408924893918 0.03331167785845 15.999 > 29 31 O 0.13794872978092 0.53408924893918 0.03331167785845 15.999 > 29 32 O 0.63794872978092 0.53408924893918 0.03331167785845 15.999 > 29 33 O 0.02833723617459 0.37978754337540 0.37871200637712 15.999 > 33 34 O 0.52833723617459 0.37978754337540 0.37871200637712 15.999 > 33 35 O 0.02833723617459 0.87978754337540 0.37871200637712 15.999 > 33 36 O 0.52833723617459 0.87978754337540 0.37871200637712 15.999 > 33 37 O 0.02833723617459 0.37978754337540 0.12128799362288 15.999 > 37 38 O 0.52833723617459 0.37978754337540 0.12128799362288 15.999 > 37 39 O 0.02833723617459 0.87978754337540 0.12128799362288 15.999 > 37 40 O 0.52833723617459 0.87978754337540 0.12128799362288 15.999 > 37 41 O 0.47166276382541 0.12978754337540 0.12128799362288 15.999 > 41 42 O 0.97166276382541 0.12978754337540 0.12128799362288 15.999 > 41 43 O 0.47166276382541 0.62978754337540 0.12128799362288 15.999 > 41 44 O 0.97166276382541 0.62978754337540 0.12128799362288 15.999 > 41 45 O 0.47166276382541 0.12021245662460 0.87871200637712 15.999 > 45 46 O 0.97166276382541 0.12021245662460 0.87871200637712 15.999 > 45 47 O 0.47166276382541 0.62021245662460 0.87871200637712 15.999 > 45 48 O 0.97166276382541 0.62021245662460 0.87871200637712 15.999 > 45 49 O 0.47166276382541 0.12021245662460 0.62128799362288 15.999 > 49 50 O 0.97166276382541 0.12021245662460 0.62128799362288 15.999 > 49 51 O 0.47166276382541 0.62021245662460 0.62128799362288 15.999 > 49 52 O 0.97166276382541 0.62021245662460 0.62128799362288 15.999 > 49 53 O 0.47166276382541 0.12978754337540 0.37871200637712 15.999 > 53 54 O 0.97166276382541 0.12978754337540 0.37871200637712 15.999 > 53 55 O 0.47166276382541 0.62978754337540 0.37871200637712 15.999 > 53 56 O 0.97166276382541 0.62978754337540 0.37871200637712 15.999 > 53 57 O 0.02833723617459 0.37021245662460 0.87871200637712 15.999 > 57 58 O 0.52833723617459 0.37021245662460 0.87871200637712 15.999 > 57 59 O 0.02833723617459 0.87021245662460 0.87871200637712 15.999 > 57 60 O 0.52833723617459 0.87021245662460 0.87871200637712 15.999 > 57 61 O 0.02833723617459 0.37021245662460 0.62128799362288 15.999 > 61 62 O 0.52833723617459 0.37021245662460 0.62128799362288 15.999 > 61 63 O 0.02833723617459 0.87021245662460 0.62128799362288 15.999 > 61 64 O 0.52833723617459 0.87021245662460 0.62128799362288 15.999 > 61 65 Si 0.05585401878714 0.12500000000000 0.00000000000000 28.085 > 65 66 Si 0.55585401878714 0.12500000000000 0.00000000000000 28.085 > 65 67 Si 0.05585401878714 0.62500000000000 0.00000000000000 28.085 > 65 68 Si 0.55585401878714 0.62500000000000 0.00000000000000 28.085 > 65 69 Si 0.44414598121286 0.37500000000000 0.00000000000000 28.085 > 69 70 Si 0.94414598121286 0.37500000000000 0.00000000000000 28.085 > 69 71 Si 0.44414598121286 0.87500000000000 0.00000000000000 28.085 > 69 72 Si 0.94414598121286 0.87500000000000 0.00000000000000 28.085 > 69 73 Si 0.44414598121286 0.37500000000000 0.50000000000000 28.085 > 73 74 Si 0.94414598121286 0.37500000000000 0.50000000000000 28.085 > 73 75 Si 0.44414598121286 0.87500000000000 0.50000000000000 28.085 > 73 76 Si 0.94414598121286 0.87500000000000 0.50000000000000 28.085 > 73 77 Si 0.05585401878714 0.12500000000000 0.50000000000000 28.085 > 77 78 Si 0.55585401878714 0.12500000000000 0.50000000000000 28.085 > 77 79 Si 0.05585401878714 0.62500000000000 0.50000000000000 28.085 > 77 80 Si 0.55585401878714 0.62500000000000 0.50000000000000 28.085 > 77 81 Se 0.29037725003632 0.30990105360568 0.75000000000000 78.960 > 81 82 Se 0.79037725003632 0.30990105360568 0.75000000000000 78.960 > 81 83 Se 0.29037725003632 0.80990105360568 0.75000000000000 78.960 > 81 84 Se 0.79037725003632 0.80990105360568 0.75000000000000 78.960 > 81 85 Se 0.29037725003632 0.44009894639432 0.25000000000000 78.960 > 85 86 Se 0.79037725003632 0.44009894639432 0.25000000000000 78.960 > 85 87 Se 0.29037725003632 0.94009894639432 0.25000000000000 78.960 > 85 88 Se 0.79037725003632 0.94009894639432 0.25000000000000 78.960 > 85 89 Se 0.20962274996368 0.05990105360568 0.75000000000000 78.960 > 89 90 Se 0.70962274996368 0.05990105360568 0.75000000000000 78.960 > 89 91 Se 0.20962274996368 0.55990105360568 0.75000000000000 78.960 > 89 92 Se 0.70962274996368 0.55990105360568 0.75000000000000 78.960 > 89 93 Se 0.20962274996368 0.19009894639432 0.25000000000000 78.960 > 93 94 Se 0.70962274996368 0.19009894639432 0.25000000000000 78.960 > 93 95 Se 0.20962274996368 0.69009894639432 0.25000000000000 78.960 > 93 96 Se 0.70962274996368 0.69009894639432 0.25000000000000 78.960 > 93 97 Tb 0.19652689080344 0.37500000000000 0.50000000000000 158.925 > 97 98 Tb 0.69652689080344 0.37500000000000 0.50000000000000 158.925 > 97 99 Tb 0.19652689080344 0.87500000000000 0.50000000000000 158.925 > 97 100 Tb 0.69652689080344 0.87500000000000 0.50000000000000 158.925 > 97 101 Tb 0.19652689080344 0.37500000000000 0.00000000000000 158.925 > 101 102 Tb 0.69652689080344 0.37500000000000 0.00000000000000 158.925 > 101 103 Tb 0.19652689080344 0.87500000000000 0.00000000000000 158.925 > 101 104 Tb 0.69652689080344 0.87500000000000 0.00000000000000 158.925 > 101 105 Tb 0.30347310919656 0.12500000000000 0.50000000000000 158.925 > 105 106 Tb 0.80347310919656 0.12500000000000 0.50000000000000 158.925 > 105 107 Tb 0.30347310919656 0.62500000000000 0.50000000000000 158.925 > 105 108 Tb 0.80347310919656 0.62500000000000 0.50000000000000 158.925 > 105 109 Tb 0.30347310919656 0.12500000000000 0.00000000000000 158.925 > 109 110 Tb 0.80347310919656 0.12500000000000 0.00000000000000 158.925 > 109 111 Tb 0.30347310919656 0.62500000000000 0.00000000000000 158.925 > 109 112 Tb 0.80347310919656 0.62500000000000 0.00000000000000 158.925 > 109 113 Tb 0.43433945775129 0.48525311731980 0.75000000000000 158.925 > 113 114 Tb 0.93433945775129 0.48525311731980 0.75000000000000 158.925 > 113 115 Tb 0.43433945775129 0.98525311731980 0.75000000000000 158.925 > 113 116 Tb 0.93433945775129 0.98525311731980 0.75000000000000 158.925 > 113 117 Tb 0.43433945775129 0.26474688268020 0.25000000000000 158.925 > 117 118 Tb 0.93433945775129 0.26474688268020 0.25000000000000 158.925 > 117 119 Tb 0.43433945775129 0.76474688268020 0.25000000000000 158.925 > 117 120 Tb 0.93433945775129 0.76474688268020 0.25000000000000 158.925 > 117 121 Tb 0.06566054224871 0.23525311731980 0.75000000000000 158.925 > 121 122 Tb 0.56566054224871 0.23525311731980 0.75000000000000 158.925 > 121 123 Tb 0.06566054224871 0.73525311731980 0.75000000000000 158.925 > 121 124 Tb 0.56566054224871 0.73525311731980 0.75000000000000 158.925 > 121 125 Tb 0.06566054224871 0.01474688268020 0.25000000000000 158.925 > 125 126 Tb 0.56566054224871 0.01474688268020 0.25000000000000 158.925 > 125 127 Tb 0.06566054224871 0.51474688268020 0.25000000000000 158.925 > 125 128 Tb 0.56566054224871 0.51474688268020 0.25000000000000 158.925 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2967708 0.0000000 0.0000000 0.0000000 5.5853313 0.0000000 0.0000000 0.0000000 5.3140896 -------------------------- Born effective charges -------------------------- 1 O -2.1250151 0.2101089 -0.0822926 0.3267318 -2.5297519 -0.1934617 -0.0886025 -0.1397498 -2.3397873 2 O -2.1250151 -0.2101089 0.0822926 -0.3267318 -2.5297519 -0.1934617 0.0886025 -0.1397498 -2.3397873 3 O -2.1250151 -0.2101089 -0.0822926 -0.3267318 -2.5297519 0.1934617 -0.0886025 0.1397498 -2.3397873 4 O -2.1250151 0.2101089 0.0822926 0.3267318 -2.5297519 0.1934617 0.0886025 0.1397498 -2.3397873 5 O -2.1250151 0.2101089 -0.0822926 0.3267318 -2.5297519 -0.1934617 -0.0886025 -0.1397498 -2.3397873 6 O -2.1250151 -0.2101089 0.0822926 -0.3267318 -2.5297519 -0.1934617 0.0886025 -0.1397498 -2.3397873 7 O -2.1250151 -0.2101089 -0.0822926 -0.3267318 -2.5297519 0.1934617 -0.0886025 0.1397498 -2.3397873 8 O -2.1250151 0.2101089 0.0822926 0.3267318 -2.5297519 0.1934617 0.0886025 0.1397498 -2.3397873 9 O -2.6536157 -0.3450256 0.0194834 -0.1984942 -1.9443382 0.1449130 -0.0663385 0.0599285 -2.3939900 10 O -2.6536157 -0.3450256 -0.0194834 -0.1984942 -1.9443382 -0.1449130 0.0663385 -0.0599285 -2.3939900 11 O -2.6536157 0.3450256 0.0194834 0.1984942 -1.9443382 -0.1449130 -0.0663385 -0.0599285 -2.3939900 12 O -2.6536157 -0.3450256 -0.0194834 -0.1984942 -1.9443382 -0.1449130 0.0663385 -0.0599285 -2.3939900 13 O -2.6536157 -0.3450256 0.0194834 -0.1984942 -1.9443382 0.1449130 -0.0663385 0.0599285 -2.3939900 14 O -2.6536157 0.3450256 -0.0194834 0.1984942 -1.9443382 0.1449130 0.0663385 0.0599285 -2.3939900 15 O -2.6536157 0.3450256 0.0194834 0.1984942 -1.9443382 -0.1449130 -0.0663385 -0.0599285 -2.3939900 16 O -2.6536157 0.3450256 -0.0194834 0.1984942 -1.9443382 0.1449130 0.0663385 0.0599285 -2.3939900 17 Si 3.7795019 -0.0000000 0.0000000 -0.0000000 2.7085310 -0.0047242 0.0000000 -0.1914885 3.6950992 18 Si 3.7795019 -0.0000000 0.0000000 -0.0000000 2.7085310 -0.0047242 0.0000000 -0.1914885 3.6950992 19 Si 3.7795019 -0.0000000 0.0000000 -0.0000000 2.7085310 0.0047242 0.0000000 0.1914885 3.6950992 20 Si 3.7795019 -0.0000000 0.0000000 -0.0000000 2.7085310 0.0047242 0.0000000 0.1914885 3.6950992 21 Se -2.2641781 -0.3404331 0.0000000 -0.3827011 -2.1432184 0.0000000 0.0000000 0.0000000 -2.1092901 22 Se -2.2641781 0.3404331 0.0000000 0.3827011 -2.1432184 0.0000000 0.0000000 0.0000000 -2.1092901 23 Se -2.2641781 0.3404331 0.0000000 0.3827011 -2.1432184 0.0000000 0.0000000 0.0000000 -2.1092901 24 Se -2.2641781 -0.3404331 0.0000000 -0.3827011 -2.1432184 0.0000000 0.0000000 0.0000000 -2.1092901 25 Tb 3.8223619 -0.0000000 0.0000000 -0.0000000 4.2488391 0.0462673 0.0000000 -0.1687566 4.2823968 26 Tb 3.8223619 -0.0000000 0.0000000 -0.0000000 4.2488391 -0.0462673 0.0000000 0.1687566 4.2823968 27 Tb 3.8223619 -0.0000000 0.0000000 -0.0000000 4.2488391 0.0462673 0.0000000 -0.1687566 4.2823968 28 Tb 3.8223619 -0.0000000 0.0000000 -0.0000000 4.2488391 -0.0462673 0.0000000 0.1687566 4.2823968 29 Tb 4.2195760 0.2251012 0.0000000 0.1122157 4.1340286 0.0000000 0.0000000 0.0000000 3.5993488 30 Tb 4.2195760 -0.2251012 0.0000000 -0.1122157 4.1340286 0.0000000 0.0000000 0.0000000 3.5993488 31 Tb 4.2195760 -0.2251012 0.0000000 -0.1122157 4.1340286 0.0000000 0.0000000 0.0000000 3.5993488 32 Tb 4.2195760 0.2251012 0.0000000 0.1122157 4.1340286 0.0000000 0.0000000 0.0000000 3.5993488 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:56:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:56:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.996350990000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.923918999999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.720720529999999 Atomic positions (fractional): 1 O 0.27589745956184 0.06817849787836 0.46668832214155 15.999 2 O 0.27589745956184 0.43182150212164 0.53331167785845 15.999 3 O 0.72410254043816 0.56817849787836 0.03331167785845 15.999 4 O 0.72410254043816 0.93182150212164 0.96668832214155 15.999 5 O 0.72410254043816 0.93182150212164 0.53331167785845 15.999 6 O 0.72410254043816 0.56817849787836 0.46668832214155 15.999 7 O 0.27589745956184 0.43182150212164 0.96668832214155 15.999 8 O 0.27589745956184 0.06817849787836 0.03331167785845 15.999 9 O 0.05667447234917 0.75957508675081 0.37871200637712 15.999 10 O 0.05667447234917 0.75957508675081 0.12128799362288 15.999 11 O 0.94332552765083 0.25957508675081 0.12128799362288 15.999 12 O 0.94332552765083 0.24042491324919 0.87871200637712 15.999 13 O 0.94332552765083 0.24042491324919 0.62128799362288 15.999 14 O 0.94332552765083 0.25957508675081 0.37871200637712 15.999 15 O 0.05667447234917 0.74042491324919 0.87871200637712 15.999 16 O 0.05667447234917 0.74042491324919 0.62128799362288 15.999 17 Si 0.11170803757427 0.25000000000000 0.00000000000000 28.085 18 Si 0.88829196242573 0.75000000000000 0.00000000000000 28.085 19 Si 0.88829196242573 0.75000000000000 0.50000000000000 28.085 20 Si 0.11170803757427 0.25000000000000 0.50000000000000 28.085 21 Se 0.58075450007264 0.61980210721136 0.75000000000000 78.960 22 Se 0.58075450007264 0.88019789278864 0.25000000000000 78.960 23 Se 0.41924549992736 0.11980210721136 0.75000000000000 78.960 24 Se 0.41924549992736 0.38019789278864 0.25000000000000 78.960 25 Tb 0.39305378160689 0.75000000000000 0.50000000000000 158.925 26 Tb 0.39305378160689 0.75000000000000 0.00000000000000 158.925 27 Tb 0.60694621839311 0.25000000000000 0.50000000000000 158.925 28 Tb 0.60694621839311 0.25000000000000 0.00000000000000 158.925 29 Tb 0.86867891550257 0.97050623463960 0.75000000000000 158.925 30 Tb 0.86867891550257 0.52949376536040 0.25000000000000 158.925 31 Tb 0.13132108449743 0.47050623463960 0.75000000000000 158.925 32 Tb 0.13132108449743 0.02949376536040 0.25000000000000 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.992701980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.847837999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.720720529999999 Atomic positions (fractional): 1 O 0.13794872978092 0.03408924893918 0.46668832214155 15.999 > 1 2 O 0.63794872978092 0.03408924893918 0.46668832214155 15.999 > 1 3 O 0.13794872978092 0.53408924893918 0.46668832214155 15.999 > 1 4 O 0.63794872978092 0.53408924893918 0.46668832214155 15.999 > 1 5 O 0.13794872978092 0.21591075106082 0.53331167785845 15.999 > 5 6 O 0.63794872978092 0.21591075106082 0.53331167785845 15.999 > 5 7 O 0.13794872978092 0.71591075106082 0.53331167785845 15.999 > 5 8 O 0.63794872978092 0.71591075106082 0.53331167785845 15.999 > 5 9 O 0.36205127021908 0.28408924893918 0.03331167785845 15.999 > 9 10 O 0.86205127021908 0.28408924893918 0.03331167785845 15.999 > 9 11 O 0.36205127021908 0.78408924893918 0.03331167785845 15.999 > 9 12 O 0.86205127021908 0.78408924893918 0.03331167785845 15.999 > 9 13 O 0.36205127021908 0.46591075106082 0.96668832214155 15.999 > 13 14 O 0.86205127021908 0.46591075106082 0.96668832214155 15.999 > 13 15 O 0.36205127021908 0.96591075106082 0.96668832214155 15.999 > 13 16 O 0.86205127021908 0.96591075106082 0.96668832214155 15.999 > 13 17 O 0.36205127021908 0.46591075106082 0.53331167785845 15.999 > 17 18 O 0.86205127021908 0.46591075106082 0.53331167785845 15.999 > 17 19 O 0.36205127021908 0.96591075106082 0.53331167785845 15.999 > 17 20 O 0.86205127021908 0.96591075106082 0.53331167785845 15.999 > 17 21 O 0.36205127021908 0.28408924893918 0.46668832214155 15.999 > 21 22 O 0.86205127021908 0.28408924893918 0.46668832214155 15.999 > 21 23 O 0.36205127021908 0.78408924893918 0.46668832214155 15.999 > 21 24 O 0.86205127021908 0.78408924893918 0.46668832214155 15.999 > 21 25 O 0.13794872978092 0.21591075106082 0.96668832214155 15.999 > 25 26 O 0.63794872978092 0.21591075106082 0.96668832214155 15.999 > 25 27 O 0.13794872978092 0.71591075106082 0.96668832214155 15.999 > 25 28 O 0.63794872978092 0.71591075106082 0.96668832214155 15.999 > 25 29 O 0.13794872978092 0.03408924893918 0.03331167785845 15.999 > 29 30 O 0.63794872978092 0.03408924893918 0.03331167785845 15.999 > 29 31 O 0.13794872978092 0.53408924893918 0.03331167785845 15.999 > 29 32 O 0.63794872978092 0.53408924893918 0.03331167785845 15.999 > 29 33 O 0.02833723617459 0.37978754337540 0.37871200637712 15.999 > 33 34 O 0.52833723617459 0.37978754337540 0.37871200637712 15.999 > 33 35 O 0.02833723617459 0.87978754337540 0.37871200637712 15.999 > 33 36 O 0.52833723617459 0.87978754337540 0.37871200637712 15.999 > 33 37 O 0.02833723617459 0.37978754337540 0.12128799362288 15.999 > 37 38 O 0.52833723617459 0.37978754337540 0.12128799362288 15.999 > 37 39 O 0.02833723617459 0.87978754337540 0.12128799362288 15.999 > 37 40 O 0.52833723617459 0.87978754337540 0.12128799362288 15.999 > 37 41 O 0.47166276382541 0.12978754337540 0.12128799362288 15.999 > 41 42 O 0.97166276382541 0.12978754337540 0.12128799362288 15.999 > 41 43 O 0.47166276382541 0.62978754337540 0.12128799362288 15.999 > 41 44 O 0.97166276382541 0.62978754337540 0.12128799362288 15.999 > 41 45 O 0.47166276382541 0.12021245662460 0.87871200637712 15.999 > 45 46 O 0.97166276382541 0.12021245662460 0.87871200637712 15.999 > 45 47 O 0.47166276382541 0.62021245662460 0.87871200637712 15.999 > 45 48 O 0.97166276382541 0.62021245662460 0.87871200637712 15.999 > 45 49 O 0.47166276382541 0.12021245662460 0.62128799362288 15.999 > 49 50 O 0.97166276382541 0.12021245662460 0.62128799362288 15.999 > 49 51 O 0.47166276382541 0.62021245662460 0.62128799362288 15.999 > 49 52 O 0.97166276382541 0.62021245662460 0.62128799362288 15.999 > 49 53 O 0.47166276382541 0.12978754337540 0.37871200637712 15.999 > 53 54 O 0.97166276382541 0.12978754337540 0.37871200637712 15.999 > 53 55 O 0.47166276382541 0.62978754337540 0.37871200637712 15.999 > 53 56 O 0.97166276382541 0.62978754337540 0.37871200637712 15.999 > 53 57 O 0.02833723617459 0.37021245662460 0.87871200637712 15.999 > 57 58 O 0.52833723617459 0.37021245662460 0.87871200637712 15.999 > 57 59 O 0.02833723617459 0.87021245662460 0.87871200637712 15.999 > 57 60 O 0.52833723617459 0.87021245662460 0.87871200637712 15.999 > 57 61 O 0.02833723617459 0.37021245662460 0.62128799362288 15.999 > 61 62 O 0.52833723617459 0.37021245662460 0.62128799362288 15.999 > 61 63 O 0.02833723617459 0.87021245662460 0.62128799362288 15.999 > 61 64 O 0.52833723617459 0.87021245662460 0.62128799362288 15.999 > 61 65 Si 0.05585401878714 0.12500000000000 0.00000000000000 28.085 > 65 66 Si 0.55585401878714 0.12500000000000 0.00000000000000 28.085 > 65 67 Si 0.05585401878714 0.62500000000000 0.00000000000000 28.085 > 65 68 Si 0.55585401878714 0.62500000000000 0.00000000000000 28.085 > 65 69 Si 0.44414598121286 0.37500000000000 0.00000000000000 28.085 > 69 70 Si 0.94414598121286 0.37500000000000 0.00000000000000 28.085 > 69 71 Si 0.44414598121286 0.87500000000000 0.00000000000000 28.085 > 69 72 Si 0.94414598121286 0.87500000000000 0.00000000000000 28.085 > 69 73 Si 0.44414598121286 0.37500000000000 0.50000000000000 28.085 > 73 74 Si 0.94414598121286 0.37500000000000 0.50000000000000 28.085 > 73 75 Si 0.44414598121286 0.87500000000000 0.50000000000000 28.085 > 73 76 Si 0.94414598121286 0.87500000000000 0.50000000000000 28.085 > 73 77 Si 0.05585401878714 0.12500000000000 0.50000000000000 28.085 > 77 78 Si 0.55585401878714 0.12500000000000 0.50000000000000 28.085 > 77 79 Si 0.05585401878714 0.62500000000000 0.50000000000000 28.085 > 77 80 Si 0.55585401878714 0.62500000000000 0.50000000000000 28.085 > 77 81 Se 0.29037725003632 0.30990105360568 0.75000000000000 78.960 > 81 82 Se 0.79037725003632 0.30990105360568 0.75000000000000 78.960 > 81 83 Se 0.29037725003632 0.80990105360568 0.75000000000000 78.960 > 81 84 Se 0.79037725003632 0.80990105360568 0.75000000000000 78.960 > 81 85 Se 0.29037725003632 0.44009894639432 0.25000000000000 78.960 > 85 86 Se 0.79037725003632 0.44009894639432 0.25000000000000 78.960 > 85 87 Se 0.29037725003632 0.94009894639432 0.25000000000000 78.960 > 85 88 Se 0.79037725003632 0.94009894639432 0.25000000000000 78.960 > 85 89 Se 0.20962274996368 0.05990105360568 0.75000000000000 78.960 > 89 90 Se 0.70962274996368 0.05990105360568 0.75000000000000 78.960 > 89 91 Se 0.20962274996368 0.55990105360568 0.75000000000000 78.960 > 89 92 Se 0.70962274996368 0.55990105360568 0.75000000000000 78.960 > 89 93 Se 0.20962274996368 0.19009894639432 0.25000000000000 78.960 > 93 94 Se 0.70962274996368 0.19009894639432 0.25000000000000 78.960 > 93 95 Se 0.20962274996368 0.69009894639432 0.25000000000000 78.960 > 93 96 Se 0.70962274996368 0.69009894639432 0.25000000000000 78.960 > 93 97 Tb 0.19652689080344 0.37500000000000 0.50000000000000 158.925 > 97 98 Tb 0.69652689080344 0.37500000000000 0.50000000000000 158.925 > 97 99 Tb 0.19652689080344 0.87500000000000 0.50000000000000 158.925 > 97 100 Tb 0.69652689080344 0.87500000000000 0.50000000000000 158.925 > 97 101 Tb 0.19652689080344 0.37500000000000 0.00000000000000 158.925 > 101 102 Tb 0.69652689080344 0.37500000000000 0.00000000000000 158.925 > 101 103 Tb 0.19652689080344 0.87500000000000 0.00000000000000 158.925 > 101 104 Tb 0.69652689080344 0.87500000000000 0.00000000000000 158.925 > 101 105 Tb 0.30347310919656 0.12500000000000 0.50000000000000 158.925 > 105 106 Tb 0.80347310919656 0.12500000000000 0.50000000000000 158.925 > 105 107 Tb 0.30347310919656 0.62500000000000 0.50000000000000 158.925 > 105 108 Tb 0.80347310919656 0.62500000000000 0.50000000000000 158.925 > 105 109 Tb 0.30347310919656 0.12500000000000 0.00000000000000 158.925 > 109 110 Tb 0.80347310919656 0.12500000000000 0.00000000000000 158.925 > 109 111 Tb 0.30347310919656 0.62500000000000 0.00000000000000 158.925 > 109 112 Tb 0.80347310919656 0.62500000000000 0.00000000000000 158.925 > 109 113 Tb 0.43433945775129 0.48525311731980 0.75000000000000 158.925 > 113 114 Tb 0.93433945775129 0.48525311731980 0.75000000000000 158.925 > 113 115 Tb 0.43433945775129 0.98525311731980 0.75000000000000 158.925 > 113 116 Tb 0.93433945775129 0.98525311731980 0.75000000000000 158.925 > 113 117 Tb 0.43433945775129 0.26474688268020 0.25000000000000 158.925 > 117 118 Tb 0.93433945775129 0.26474688268020 0.25000000000000 158.925 > 117 119 Tb 0.43433945775129 0.76474688268020 0.25000000000000 158.925 > 117 120 Tb 0.93433945775129 0.76474688268020 0.25000000000000 158.925 > 117 121 Tb 0.06566054224871 0.23525311731980 0.75000000000000 158.925 > 121 122 Tb 0.56566054224871 0.23525311731980 0.75000000000000 158.925 > 121 123 Tb 0.06566054224871 0.73525311731980 0.75000000000000 158.925 > 121 124 Tb 0.56566054224871 0.73525311731980 0.75000000000000 158.925 > 121 125 Tb 0.06566054224871 0.01474688268020 0.25000000000000 158.925 > 125 126 Tb 0.56566054224871 0.01474688268020 0.25000000000000 158.925 > 125 127 Tb 0.06566054224871 0.51474688268020 0.25000000000000 158.925 > 125 128 Tb 0.56566054224871 0.51474688268020 0.25000000000000 158.925 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2967708 0.0000000 0.0000000 0.0000000 5.5853313 0.0000000 0.0000000 0.0000000 5.3140896 -------------------------- Born effective charges -------------------------- 1 O -2.1250151 0.2101089 -0.0822926 0.3267318 -2.5297519 -0.1934617 -0.0886025 -0.1397498 -2.3397873 2 O -2.1250151 -0.2101089 0.0822926 -0.3267318 -2.5297519 -0.1934617 0.0886025 -0.1397498 -2.3397873 3 O -2.1250151 -0.2101089 -0.0822926 -0.3267318 -2.5297519 0.1934617 -0.0886025 0.1397498 -2.3397873 4 O -2.1250151 0.2101089 0.0822926 0.3267318 -2.5297519 0.1934617 0.0886025 0.1397498 -2.3397873 5 O -2.1250151 0.2101089 -0.0822926 0.3267318 -2.5297519 -0.1934617 -0.0886025 -0.1397498 -2.3397873 6 O -2.1250151 -0.2101089 0.0822926 -0.3267318 -2.5297519 -0.1934617 0.0886025 -0.1397498 -2.3397873 7 O -2.1250151 -0.2101089 -0.0822926 -0.3267318 -2.5297519 0.1934617 -0.0886025 0.1397498 -2.3397873 8 O -2.1250151 0.2101089 0.0822926 0.3267318 -2.5297519 0.1934617 0.0886025 0.1397498 -2.3397873 9 O -2.6536157 -0.3450256 0.0194834 -0.1984942 -1.9443382 0.1449130 -0.0663385 0.0599285 -2.3939900 10 O -2.6536157 -0.3450256 -0.0194834 -0.1984942 -1.9443382 -0.1449130 0.0663385 -0.0599285 -2.3939900 11 O -2.6536157 0.3450256 0.0194834 0.1984942 -1.9443382 -0.1449130 -0.0663385 -0.0599285 -2.3939900 12 O -2.6536157 -0.3450256 -0.0194834 -0.1984942 -1.9443382 -0.1449130 0.0663385 -0.0599285 -2.3939900 13 O -2.6536157 -0.3450256 0.0194834 -0.1984942 -1.9443382 0.1449130 -0.0663385 0.0599285 -2.3939900 14 O -2.6536157 0.3450256 -0.0194834 0.1984942 -1.9443382 0.1449130 0.0663385 0.0599285 -2.3939900 15 O -2.6536157 0.3450256 0.0194834 0.1984942 -1.9443382 -0.1449130 -0.0663385 -0.0599285 -2.3939900 16 O -2.6536157 0.3450256 -0.0194834 0.1984942 -1.9443382 0.1449130 0.0663385 0.0599285 -2.3939900 17 Si 3.7795019 -0.0000000 0.0000000 -0.0000000 2.7085310 -0.0047242 0.0000000 -0.1914885 3.6950992 18 Si 3.7795019 -0.0000000 0.0000000 -0.0000000 2.7085310 -0.0047242 0.0000000 -0.1914885 3.6950992 19 Si 3.7795019 -0.0000000 0.0000000 -0.0000000 2.7085310 0.0047242 0.0000000 0.1914885 3.6950992 20 Si 3.7795019 -0.0000000 0.0000000 -0.0000000 2.7085310 0.0047242 0.0000000 0.1914885 3.6950992 21 Se -2.2641781 -0.3404331 0.0000000 -0.3827011 -2.1432184 0.0000000 0.0000000 0.0000000 -2.1092901 22 Se -2.2641781 0.3404331 0.0000000 0.3827011 -2.1432184 0.0000000 0.0000000 0.0000000 -2.1092901 23 Se -2.2641781 0.3404331 0.0000000 0.3827011 -2.1432184 0.0000000 0.0000000 0.0000000 -2.1092901 24 Se -2.2641781 -0.3404331 0.0000000 -0.3827011 -2.1432184 0.0000000 0.0000000 0.0000000 -2.1092901 25 Tb 3.8223619 -0.0000000 0.0000000 -0.0000000 4.2488391 0.0462673 0.0000000 -0.1687566 4.2823968 26 Tb 3.8223619 -0.0000000 0.0000000 -0.0000000 4.2488391 -0.0462673 0.0000000 0.1687566 4.2823968 27 Tb 3.8223619 -0.0000000 0.0000000 -0.0000000 4.2488391 0.0462673 0.0000000 -0.1687566 4.2823968 28 Tb 3.8223619 -0.0000000 0.0000000 -0.0000000 4.2488391 -0.0462673 0.0000000 0.1687566 4.2823968 29 Tb 4.2195760 0.2251012 0.0000000 0.1122157 4.1340286 0.0000000 0.0000000 0.0000000 3.5993488 30 Tb 4.2195760 -0.2251012 0.0000000 -0.1122157 4.1340286 0.0000000 0.0000000 0.0000000 3.5993488 31 Tb 4.2195760 -0.2251012 0.0000000 -0.1122157 4.1340286 0.0000000 0.0000000 0.0000000 3.5993488 32 Tb 4.2195760 0.2251012 0.0000000 0.1122157 4.1340286 0.0000000 0.0000000 0.0000000 3.5993488 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 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: 0.54, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.269 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.858 ( 0.000 0.000 0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 2.065 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 6.881 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.602 ( 0.000 0.000 0.000) 0.000 7.768 ( 0.000 0.000 0.000) 0.000 7.770 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 8.053 ( 0.000 0.000 0.000) 0.000 8.379 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.614 ( 0.000 0.000 0.000) 0.000 8.751 ( 0.000 0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 9.519 ( 0.000 0.000 0.000) 0.000 9.580 ( 0.000 0.000 0.000) 0.000 9.583 ( 0.000 0.000 0.000) 0.000 9.858 ( 0.000 0.000 0.000) 0.000 10.528 ( 0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 0.000) 0.000 10.586 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 11.502 ( 0.000 0.000 0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 12.613 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 13.088 ( 0.000 0.000 0.000) 0.000 13.155 ( 0.000 0.000 0.000) 0.000 13.757 ( 0.000 0.000 0.000) 0.000 14.843 ( 0.000 0.000 0.000) 0.000 15.030 ( 0.000 0.000 0.000) 0.000 15.187 ( 0.000 0.000 0.000) 0.000 15.346 ( 0.000 0.000 0.000) 0.000 15.728 ( 0.000 0.000 0.000) 0.000 15.934 ( 0.000 0.000 0.000) 0.000 16.235 ( 0.000 0.000 0.000) 0.000 16.312 ( 0.000 0.000 0.000) 0.000 16.408 ( 0.000 0.000 0.000) 0.000 17.134 ( 0.000 0.000 0.000) 0.000 24.409 ( 0.000 0.000 0.000) 0.000 24.538 ( 0.000 0.000 0.000) 0.000 24.658 ( 0.000 0.000 0.000) 0.000 24.827 ( 0.000 0.000 0.000) 0.000 24.849 ( 0.000 0.000 0.000) 0.000 24.998 ( 0.000 0.000 0.000) 0.000 25.374 ( 0.000 0.000 0.000) 0.000 25.709 ( 0.000 0.000 0.000) 0.000 27.356 ( 0.000 0.000 0.000) 0.000 27.364 ( 0.000 0.000 0.000) 0.000 27.524 ( 0.000 0.000 0.000) 0.000 27.571 ( 0.000 0.000 0.000) 0.000 27.667 ( 0.000 0.000 0.000) 0.000 27.739 ( 0.000 0.000 0.000) 0.000 27.774 ( 0.000 0.000 0.000) 0.000 28.689 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 25.265 0.000 0.000) 25.265 0.613 ( 28.888 0.000 0.000) 28.888 1.133 ( 49.683 0.000 0.000) 49.683 1.274 ( 0.460 0.000 0.000) 0.460 1.652 ( 3.951 0.000 0.000) 3.951 1.737 ( -8.450 0.000 0.000) 8.450 1.948 ( 3.151 0.000 0.000) 3.151 2.101 ( 3.367 0.000 0.000) 3.367 2.115 ( -5.699 0.000 0.000) 5.699 2.828 ( 19.530 0.000 0.000) 19.530 2.856 ( -9.235 0.000 0.000) 9.235 2.923 ( 1.302 0.000 0.000) 1.302 3.215 ( 4.243 0.000 0.000) 4.243 3.228 ( -8.545 0.000 0.000) 8.545 3.275 ( -0.247 0.000 0.000) 0.247 3.379 ( 8.535 0.000 0.000) 8.535 3.412 ( 3.102 0.000 0.000) 3.102 3.554 ( 2.776 0.000 0.000) 2.776 3.625 ( 13.842 0.000 0.000) 13.842 3.697 ( -3.672 0.000 0.000) 3.672 3.820 ( -1.234 0.000 0.000) 1.234 3.850 ( -0.272 0.000 0.000) 0.272 3.916 ( 4.371 0.000 0.000) 4.371 3.927 ( -0.957 0.000 0.000) 0.957 3.983 ( -1.008 0.000 0.000) 1.008 4.170 ( 13.807 0.000 0.000) 13.807 4.193 ( 8.372 0.000 0.000) 8.372 4.346 ( 12.600 0.000 0.000) 12.600 4.495 ( -1.236 0.000 0.000) 1.236 4.700 ( -1.104 0.000 0.000) 1.104 4.796 ( 2.554 0.000 0.000) 2.554 4.806 ( 1.306 0.000 0.000) 1.306 5.002 ( 1.813 0.000 0.000) 1.813 5.135 ( 1.371 0.000 0.000) 1.371 5.236 ( -6.669 0.000 0.000) 6.669 5.578 ( 4.379 0.000 0.000) 4.379 6.673 ( -4.084 0.000 0.000) 4.084 6.878 ( -0.529 0.000 0.000) 0.529 7.081 ( -1.679 0.000 0.000) 1.679 7.100 ( 2.156 0.000 0.000) 2.156 7.419 ( -1.170 0.000 0.000) 1.170 7.558 ( -1.013 0.000 0.000) 1.013 7.612 ( 0.806 0.000 0.000) 0.806 7.767 ( -0.049 0.000 0.000) 0.049 7.827 ( -0.560 0.000 0.000) 0.560 7.914 ( 3.455 0.000 0.000) 3.455 7.986 ( 1.141 0.000 0.000) 1.141 8.011 ( -3.821 0.000 0.000) 3.821 8.445 ( 5.655 0.000 0.000) 5.655 8.478 ( -6.273 0.000 0.000) 6.273 8.859 ( 6.999 0.000 0.000) 6.999 8.930 ( -3.933 0.000 0.000) 3.933 9.487 ( -3.011 0.000 0.000) 3.011 9.551 ( -2.785 0.000 0.000) 2.785 9.642 ( 5.137 0.000 0.000) 5.137 9.870 ( 1.087 0.000 0.000) 1.087 10.412 ( -11.305 0.000 0.000) 11.305 10.524 ( 0.303 0.000 0.000) 0.303 10.529 ( -3.908 0.000 0.000) 3.908 10.619 ( 0.431 0.000 0.000) 0.431 10.976 ( -6.661 0.000 0.000) 6.661 11.061 ( 3.929 0.000 0.000) 3.929 11.408 ( 4.304 0.000 0.000) 4.304 11.450 ( -8.702 0.000 0.000) 8.702 11.739 ( 1.671 0.000 0.000) 1.671 12.502 ( -7.973 0.000 0.000) 7.973 12.769 ( -2.586 0.000 0.000) 2.586 13.046 ( -9.492 0.000 0.000) 9.492 13.204 ( 8.525 0.000 0.000) 8.525 13.714 ( -4.170 0.000 0.000) 4.170 14.747 ( -9.120 0.000 0.000) 9.120 15.070 ( 5.153 0.000 0.000) 5.153 15.189 ( 0.191 0.000 0.000) 0.191 15.501 ( -12.858 0.000 0.000) 12.858 15.865 ( -6.291 0.000 0.000) 6.291 16.387 ( -1.923 0.000 0.000) 1.923 16.392 ( 3.146 0.000 0.000) 3.146 16.400 ( 13.455 0.000 0.000) 13.455 16.620 ( 16.087 0.000 0.000) 16.087 17.134 ( -0.105 0.000 0.000) 0.105 24.411 ( 0.207 0.000 0.000) 0.207 24.549 ( 0.977 0.000 0.000) 0.977 24.654 ( -0.374 0.000 0.000) 0.374 24.820 ( -1.308 0.000 0.000) 1.308 24.910 ( 1.957 0.000 0.000) 1.957 24.994 ( -0.305 0.000 0.000) 0.305 25.350 ( -1.899 0.000 0.000) 1.899 25.716 ( 0.214 0.000 0.000) 0.214 27.227 ( -7.834 0.000 0.000) 7.834 27.356 ( -0.062 0.000 0.000) 0.062 27.569 ( -0.127 0.000 0.000) 0.127 27.651 ( -1.535 0.000 0.000) 1.535 27.680 ( -5.247 0.000 0.000) 5.247 27.698 ( 11.146 0.000 0.000) 11.146 28.571 ( -10.410 0.000 0.000) 10.410 29.318 ( 3.485 0.000 0.000) 3.485 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 20.066 0.000 0.000) 20.066 1.182 ( 24.035 0.000 0.000) 24.035 1.292 ( 2.104 0.000 0.000) 2.104 1.548 ( -6.965 0.000 0.000) 6.965 1.765 ( 6.794 0.000 0.000) 6.794 1.928 ( 22.619 0.000 0.000) 22.619 1.963 ( -1.585 0.000 0.000) 1.585 2.091 ( 3.306 0.000 0.000) 3.306 2.211 ( 7.513 0.000 0.000) 7.513 2.632 ( -10.878 0.000 0.000) 10.878 2.985 ( -14.190 0.000 0.000) 14.190 2.999 ( 7.696 0.000 0.000) 7.696 3.194 ( -8.313 0.000 0.000) 8.313 3.272 ( -0.090 0.000 0.000) 0.090 3.287 ( 20.896 0.000 0.000) 20.896 3.481 ( 4.312 0.000 0.000) 4.312 3.608 ( 1.591 0.000 0.000) 1.591 3.625 ( 13.374 0.000 0.000) 13.374 3.664 ( 0.939 0.000 0.000) 0.939 3.823 ( 1.280 0.000 0.000) 1.280 3.898 ( 2.552 0.000 0.000) 2.552 3.900 ( 5.463 0.000 0.000) 5.463 3.914 ( 2.173 0.000 0.000) 2.173 3.985 ( 2.197 0.000 0.000) 2.197 4.087 ( 17.788 0.000 0.000) 17.788 4.395 ( 9.446 0.000 0.000) 9.446 4.431 ( 9.134 0.000 0.000) 9.134 4.456 ( -2.393 0.000 0.000) 2.393 4.523 ( 0.265 0.000 0.000) 0.265 4.699 ( 1.420 0.000 0.000) 1.420 4.842 ( 1.928 0.000 0.000) 1.928 4.850 ( 2.415 0.000 0.000) 2.415 5.047 ( 2.156 0.000 0.000) 2.156 5.226 ( 7.951 0.000 0.000) 7.951 5.245 ( 11.366 0.000 0.000) 11.366 5.720 ( 9.344 0.000 0.000) 9.344 6.619 ( -0.561 0.000 0.000) 0.561 6.862 ( -0.817 0.000 0.000) 0.817 7.053 ( -0.580 0.000 0.000) 0.580 7.108 ( -1.724 0.000 0.000) 1.724 7.378 ( -2.739 0.000 0.000) 2.739 7.522 ( -2.457 0.000 0.000) 2.457 7.624 ( 0.155 0.000 0.000) 0.155 7.764 ( -0.244 0.000 0.000) 0.244 7.809 ( -0.970 0.000 0.000) 0.970 7.914 ( -4.801 0.000 0.000) 4.801 7.968 ( 1.148 0.000 0.000) 1.148 8.015 ( 1.424 0.000 0.000) 1.424 8.371 ( -3.743 0.000 0.000) 3.743 8.566 ( 4.995 0.000 0.000) 4.995 8.842 ( -3.993 0.000 0.000) 3.993 8.995 ( 5.733 0.000 0.000) 5.733 9.404 ( -4.441 0.000 0.000) 4.441 9.462 ( -5.907 0.000 0.000) 5.907 9.777 ( 7.505 0.000 0.000) 7.505 9.899 ( 1.513 0.000 0.000) 1.513 10.101 ( -17.944 0.000 0.000) 17.944 10.434 ( -4.411 0.000 0.000) 4.411 10.559 ( 2.861 0.000 0.000) 2.861 10.613 ( -0.666 0.000 0.000) 0.666 10.783 ( -11.236 0.000 0.000) 11.236 11.169 ( 5.948 0.000 0.000) 5.948 11.224 ( -11.791 0.000 0.000) 11.791 11.485 ( 2.352 0.000 0.000) 2.352 11.785 ( 2.503 0.000 0.000) 2.503 12.356 ( -5.262 0.000 0.000) 5.262 12.697 ( -4.061 0.000 0.000) 4.061 12.821 ( -10.636 0.000 0.000) 10.636 13.370 ( 6.686 0.000 0.000) 6.686 13.591 ( -7.125 0.000 0.000) 7.125 14.545 ( -8.679 0.000 0.000) 8.679 15.194 ( 0.277 0.000 0.000) 0.277 15.211 ( 7.174 0.000 0.000) 7.174 15.278 ( -7.747 0.000 0.000) 7.747 15.695 ( -9.281 0.000 0.000) 9.281 16.335 ( -2.806 0.000 0.000) 2.806 16.452 ( 2.735 0.000 0.000) 2.735 16.696 ( 13.334 0.000 0.000) 13.334 16.959 ( 14.734 0.000 0.000) 14.734 17.128 ( -0.487 0.000 0.000) 0.487 24.418 ( 0.462 0.000 0.000) 0.462 24.575 ( 1.441 0.000 0.000) 1.441 24.642 ( -0.726 0.000 0.000) 0.726 24.807 ( 0.150 0.000 0.000) 0.150 24.941 ( 0.938 0.000 0.000) 0.938 24.986 ( -0.474 0.000 0.000) 0.474 25.319 ( -0.556 0.000 0.000) 0.556 25.693 ( -2.872 0.000 0.000) 2.872 27.086 ( -5.554 0.000 0.000) 5.554 27.353 ( -0.211 0.000 0.000) 0.211 27.547 ( -6.809 0.000 0.000) 6.809 27.567 ( -0.067 0.000 0.000) 0.067 27.607 ( -2.455 0.000 0.000) 2.455 27.921 ( 9.648 0.000 0.000) 9.648 28.314 ( -12.590 0.000 0.000) 12.590 29.404 ( 4.253 0.000 0.000) 4.253 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 1.322 0.000 0.000) 1.322 1.347 ( -2.602 0.000 0.000) 2.602 1.468 ( 11.405 0.000 0.000) 11.405 1.725 ( 16.841 0.000 0.000) 16.841 1.939 ( -0.286 0.000 0.000) 0.286 1.948 ( 11.367 0.000 0.000) 11.367 2.150 ( 4.271 0.000 0.000) 4.271 2.186 ( 5.347 0.000 0.000) 5.347 2.333 ( 2.392 0.000 0.000) 2.392 2.450 ( -4.872 0.000 0.000) 4.872 2.658 ( -16.592 0.000 0.000) 16.592 2.920 ( -16.520 0.000 0.000) 16.520 3.206 ( 8.284 0.000 0.000) 8.284 3.274 ( 0.852 0.000 0.000) 0.852 3.558 ( 2.634 0.000 0.000) 2.634 3.618 ( 10.795 0.000 0.000) 10.795 3.621 ( 0.263 0.000 0.000) 0.263 3.713 ( 2.558 0.000 0.000) 2.558 3.826 ( 5.102 0.000 0.000) 5.102 3.851 ( 1.082 0.000 0.000) 1.082 3.872 ( -2.023 0.000 0.000) 2.023 3.975 ( 3.043 0.000 0.000) 3.043 4.013 ( 0.655 0.000 0.000) 0.655 4.097 ( 10.615 0.000 0.000) 10.615 4.356 ( -4.905 0.000 0.000) 4.905 4.404 ( -2.311 0.000 0.000) 2.311 4.525 ( 2.730 0.000 0.000) 2.730 4.559 ( 5.048 0.000 0.000) 5.048 4.627 ( 20.143 0.000 0.000) 20.143 4.778 ( 5.644 0.000 0.000) 5.644 4.874 ( 0.853 0.000 0.000) 0.853 4.889 ( 1.065 0.000 0.000) 1.065 5.080 ( 0.875 0.000 0.000) 0.875 5.416 ( 8.313 0.000 0.000) 8.313 5.576 ( 14.847 0.000 0.000) 14.847 5.937 ( 9.357 0.000 0.000) 9.357 6.654 ( 3.653 0.000 0.000) 3.653 6.842 ( -1.325 0.000 0.000) 1.325 7.039 ( -4.118 0.000 0.000) 4.118 7.061 ( 1.145 0.000 0.000) 1.145 7.311 ( -3.307 0.000 0.000) 3.307 7.467 ( -2.349 0.000 0.000) 2.349 7.619 ( -0.471 0.000 0.000) 0.471 7.768 ( 1.227 0.000 0.000) 1.227 7.807 ( 1.450 0.000 0.000) 1.450 7.834 ( -2.554 0.000 0.000) 2.554 7.946 ( -3.355 0.000 0.000) 3.355 8.032 ( -0.247 0.000 0.000) 0.247 8.320 ( -1.352 0.000 0.000) 1.352 8.640 ( 2.206 0.000 0.000) 2.206 8.775 ( -2.250 0.000 0.000) 2.250 9.090 ( 3.247 0.000 0.000) 3.247 9.318 ( -6.898 0.000 0.000) 6.898 9.329 ( -2.071 0.000 0.000) 2.071 9.711 ( -17.612 0.000 0.000) 17.612 9.926 ( 0.973 0.000 0.000) 0.973 9.935 ( 6.792 0.000 0.000) 6.792 10.372 ( -1.220 0.000 0.000) 1.220 10.548 ( -10.102 0.000 0.000) 10.102 10.600 ( -0.483 0.000 0.000) 0.483 10.618 ( 2.193 0.000 0.000) 2.193 11.006 ( -8.056 0.000 0.000) 8.056 11.285 ( 4.621 0.000 0.000) 4.621 11.501 ( -0.362 0.000 0.000) 0.362 11.833 ( 1.881 0.000 0.000) 1.881 12.288 ( -1.553 0.000 0.000) 1.553 12.615 ( -3.285 0.000 0.000) 3.285 12.644 ( -5.838 0.000 0.000) 5.838 13.451 ( -5.471 0.000 0.000) 5.471 13.471 ( 2.969 0.000 0.000) 2.969 14.410 ( -4.227 0.000 0.000) 4.227 15.174 ( -2.717 0.000 0.000) 2.717 15.200 ( 0.202 0.000 0.000) 0.202 15.336 ( 4.411 0.000 0.000) 4.411 15.516 ( -6.882 0.000 0.000) 6.882 16.281 ( -2.052 0.000 0.000) 2.052 16.501 ( 1.750 0.000 0.000) 1.750 16.917 ( 7.437 0.000 0.000) 7.437 17.116 ( -0.549 0.000 0.000) 0.549 17.200 ( 7.966 0.000 0.000) 7.966 24.429 ( 0.509 0.000 0.000) 0.509 24.603 ( 1.072 0.000 0.000) 1.072 24.626 ( -0.720 0.000 0.000) 0.720 24.821 ( 0.971 0.000 0.000) 0.971 24.949 ( -0.076 0.000 0.000) 0.076 24.976 ( -0.376 0.000 0.000) 0.376 25.340 ( 2.662 0.000 0.000) 2.662 25.596 ( -6.034 0.000 0.000) 6.034 26.998 ( -2.861 0.000 0.000) 2.861 27.348 ( -0.235 0.000 0.000) 0.235 27.424 ( -4.524 0.000 0.000) 4.524 27.559 ( -1.929 0.000 0.000) 1.929 27.567 ( 0.030 0.000 0.000) 0.030 28.081 ( 5.386 0.000 0.000) 5.386 28.100 ( -7.246 0.000 0.000) 7.246 29.479 ( 2.665 0.000 0.000) 2.665 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.000 0.000 0.000) 0.000 1.319 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.901 ( -0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 2.177 ( -0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.542 ( -0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.742 ( -0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.023 ( -0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.723 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 7.816 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 7.867 ( 0.000 0.000 0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.307 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.234 ( 0.000 0.000 0.000) 0.000 9.328 ( 0.000 0.000 0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.937 ( 0.000 0.000 0.000) 0.000 10.015 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.409 ( -0.000 0.000 0.000) 0.000 10.595 ( 0.000 0.000 0.000) 0.000 10.641 ( 0.000 0.000 0.000) 0.000 10.918 ( 0.000 0.000 0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.493 ( 0.000 0.000 0.000) 0.000 11.854 ( 0.000 0.000 0.000) 0.000 12.275 ( 0.000 0.000 0.000) 0.000 12.578 ( 0.000 0.000 0.000) 0.000 12.583 ( 0.000 0.000 0.000) 0.000 13.390 ( 0.000 0.000 0.000) 0.000 13.500 ( 0.000 0.000 0.000) 0.000 14.367 ( 0.000 0.000 0.000) 0.000 15.148 ( 0.000 0.000 0.000) 0.000 15.202 ( 0.000 0.000 0.000) 0.000 15.384 ( 0.000 0.000 0.000) 0.000 15.440 ( 0.000 0.000 0.000) 0.000 16.259 ( 0.000 0.000 0.000) 0.000 16.520 ( 0.000 0.000 0.000) 0.000 16.996 ( 0.000 0.000 0.000) 0.000 17.109 ( 0.000 0.000 0.000) 0.000 17.284 ( 0.000 0.000 0.000) 0.000 24.435 ( 0.000 0.000 0.000) 0.000 24.615 ( 0.000 0.000 0.000) 0.000 24.617 ( 0.000 0.000 0.000) 0.000 24.835 ( -0.000 0.000 0.000) 0.000 24.946 ( 0.000 0.000 0.000) 0.000 24.972 ( 0.000 0.000 0.000) 0.000 25.401 ( 0.000 0.000 0.000) 0.000 25.495 ( 0.000 0.000 0.000) 0.000 26.968 ( 0.000 0.000 0.000) 0.000 27.345 ( 0.000 0.000 0.000) 0.000 27.374 ( 0.000 0.000 0.000) 0.000 27.537 ( 0.000 0.000 0.000) 0.000 27.567 ( 0.000 0.000 0.000) 0.000 28.024 ( 0.000 0.000 0.000) 0.000 28.138 ( 0.000 0.000 0.000) 0.000 29.508 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 0.000 27.130 0.000) 27.130 0.623 ( 0.000 29.974 0.000) 29.974 1.152 ( 0.000 52.978 0.000) 52.978 1.549 ( 0.000 23.738 0.000) 23.738 1.628 ( 0.000 1.554 0.000) 1.554 1.907 ( 0.000 2.477 0.000) 2.477 2.130 ( 0.000 5.033 0.000) 5.033 2.244 ( 0.000 3.647 0.000) 3.647 2.272 ( 0.000 5.561 0.000) 5.561 2.650 ( 0.000 4.124 0.000) 4.124 2.872 ( 0.000 -3.292 0.000) 3.292 2.971 ( 0.000 -2.838 0.000) 2.838 3.011 ( 0.000 -0.967 0.000) 0.967 3.189 ( 0.000 -0.812 0.000) 0.812 3.285 ( 0.000 -0.825 0.000) 0.825 3.295 ( 0.000 -2.384 0.000) 2.384 3.305 ( 0.000 -3.771 0.000) 3.771 3.315 ( 0.000 -8.590 0.000) 8.590 3.618 ( 0.000 3.425 0.000) 3.425 3.731 ( 0.000 -9.337 0.000) 9.337 3.783 ( 0.000 -4.502 0.000) 4.502 3.793 ( 0.000 0.816 0.000) 0.816 3.911 ( 0.000 4.349 0.000) 4.349 3.932 ( 0.000 -3.224 0.000) 3.224 3.960 ( 0.000 1.664 0.000) 1.664 3.988 ( 0.000 0.805 0.000) 0.805 4.118 ( 0.000 0.762 0.000) 0.762 4.159 ( 0.000 -1.231 0.000) 1.231 4.593 ( 0.000 7.268 0.000) 7.268 4.691 ( 0.000 -5.941 0.000) 5.941 4.801 ( 0.000 0.978 0.000) 0.978 4.935 ( 0.000 -5.654 0.000) 5.654 4.992 ( 0.000 0.996 0.000) 0.996 5.053 ( 0.000 0.392 0.000) 0.392 5.113 ( 0.000 -0.176 0.000) 0.176 5.263 ( 0.000 -5.580 0.000) 5.580 6.803 ( 0.000 5.511 0.000) 5.511 6.916 ( 0.000 3.139 0.000) 3.139 7.077 ( 0.000 1.426 0.000) 1.426 7.427 ( 0.000 -0.831 0.000) 0.831 7.534 ( 0.000 -3.080 0.000) 3.080 7.631 ( 0.000 3.834 0.000) 3.834 7.781 ( 0.000 -4.667 0.000) 4.667 7.812 ( 0.000 3.687 0.000) 3.687 7.828 ( 0.000 4.701 0.000) 4.701 7.862 ( 0.000 -0.323 0.000) 0.323 7.974 ( 0.000 -0.044 0.000) 0.044 8.379 ( 0.000 0.124 0.000) 0.124 8.601 ( 0.000 -0.908 0.000) 0.908 8.677 ( 0.000 9.398 0.000) 9.398 8.739 ( 0.000 -4.725 0.000) 4.725 8.741 ( 0.000 -1.183 0.000) 1.183 9.035 ( 0.000 5.593 0.000) 5.593 9.393 ( 0.000 -12.920 0.000) 12.920 9.555 ( 0.000 -2.205 0.000) 2.205 9.834 ( 0.000 -2.338 0.000) 2.338 9.852 ( 0.000 -0.376 0.000) 0.376 10.496 ( 0.000 -7.487 0.000) 7.487 10.534 ( 0.000 0.503 0.000) 0.503 10.625 ( 0.000 2.962 0.000) 2.962 10.943 ( 0.000 -6.995 0.000) 6.995 11.013 ( 0.000 -3.106 0.000) 3.106 11.294 ( 0.000 -8.747 0.000) 8.747 11.439 ( 0.000 -5.829 0.000) 5.829 11.765 ( 0.000 5.558 0.000) 5.558 12.767 ( 0.000 -2.924 0.000) 2.924 13.104 ( 0.000 1.442 0.000) 1.442 13.274 ( 0.000 -6.992 0.000) 6.992 13.309 ( 0.000 13.478 0.000) 13.478 14.012 ( 0.000 18.579 0.000) 18.579 14.780 ( 0.000 -6.137 0.000) 6.137 15.031 ( 0.000 0.167 0.000) 0.167 15.161 ( 0.000 -2.392 0.000) 2.392 15.367 ( 0.000 1.751 0.000) 1.751 15.684 ( 0.000 -3.941 0.000) 3.941 16.072 ( 0.000 -4.753 0.000) 4.753 16.235 ( 0.000 0.254 0.000) 0.254 16.397 ( 0.000 7.044 0.000) 7.044 16.404 ( 0.000 -0.464 0.000) 0.464 17.116 ( 0.000 -1.842 0.000) 1.842 24.413 ( 0.000 0.417 0.000) 0.417 24.604 ( 0.000 5.477 0.000) 5.477 24.644 ( 0.000 -0.934 0.000) 0.934 24.805 ( 0.000 -1.783 0.000) 1.783 24.840 ( 0.000 -0.881 0.000) 0.881 24.999 ( 0.000 0.058 0.000) 0.058 25.752 ( 0.000 4.003 0.000) 4.003 26.358 ( 0.000 -1.664 0.000) 1.664 27.293 ( 0.000 -2.863 0.000) 2.863 27.392 ( 0.000 -6.737 0.000) 6.737 27.467 ( 0.000 6.593 0.000) 6.593 27.565 ( 0.000 -5.105 0.000) 5.105 27.705 ( 0.000 6.844 0.000) 6.844 27.709 ( 0.000 -2.799 0.000) 2.799 27.934 ( 0.000 10.516 0.000) 10.516 28.922 ( 0.000 -7.000 0.000) 7.000 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 16.122 19.110 0.000) 25.002 0.948 ( 20.168 22.008 0.000) 29.851 1.519 ( 29.651 32.987 0.000) 44.355 1.537 ( -0.822 21.236 0.000) 21.252 1.677 ( 4.515 3.335 0.000) 5.613 1.860 ( -11.910 7.530 0.000) 14.091 1.963 ( -1.028 0.521 0.000) 1.153 2.159 ( -1.857 7.466 0.000) 7.693 2.319 ( 1.368 12.599 0.000) 12.673 2.815 ( -6.108 -0.964 0.000) 6.184 2.868 ( 18.525 3.516 0.000) 18.855 2.875 ( -0.300 -5.027 0.000) 5.036 3.174 ( 2.118 -5.984 0.000) 6.348 3.219 ( -6.039 -0.528 0.000) 6.062 3.235 ( 2.178 -0.361 0.000) 2.208 3.331 ( 9.991 -2.873 0.000) 10.396 3.398 ( 4.067 -2.967 0.000) 5.034 3.405 ( 5.764 -8.703 0.000) 10.439 3.699 ( -2.148 -0.191 0.000) 2.156 3.718 ( -0.378 -8.053 0.000) 8.062 3.735 ( 9.719 4.567 0.000) 10.739 3.847 ( 1.898 -5.107 0.000) 5.448 3.882 ( 0.544 3.648 0.000) 3.688 3.931 ( 0.031 -0.265 0.000) 0.267 4.012 ( 1.939 1.519 0.000) 2.463 4.117 ( 12.234 -0.244 0.000) 12.236 4.240 ( 6.534 -5.536 0.000) 8.564 4.261 ( 9.948 1.979 0.000) 10.143 4.605 ( 1.112 6.948 0.000) 7.037 4.714 ( 0.950 -3.719 0.000) 3.838 4.795 ( -1.838 2.167 0.000) 2.841 4.822 ( 0.466 2.131 0.000) 2.181 4.962 ( 1.944 -4.721 0.000) 5.105 5.115 ( 2.476 -0.884 0.000) 2.630 5.194 ( -4.490 -3.408 0.000) 5.637 5.384 ( 12.501 -9.244 0.000) 15.548 6.726 ( -4.832 4.536 0.000) 6.628 6.919 ( -0.430 3.350 0.000) 3.378 7.119 ( 2.377 2.090 0.000) 3.165 7.381 ( -13.472 9.971 0.000) 16.761 7.427 ( -4.268 1.790 0.000) 4.628 7.522 ( -1.002 -2.898 0.000) 3.066 7.696 ( -0.956 7.937 0.000) 7.995 7.818 ( 0.254 3.904 0.000) 3.913 7.856 ( 0.139 1.548 0.000) 1.554 7.885 ( 1.789 -2.477 0.000) 3.055 7.971 ( -0.596 -0.888 0.000) 1.069 8.056 ( -9.018 4.963 0.000) 10.294 8.411 ( 1.891 -1.501 0.000) 2.414 8.593 ( -3.095 9.209 0.000) 9.715 8.860 ( 6.865 -0.179 0.000) 6.867 8.956 ( -2.594 2.081 0.000) 3.326 9.329 ( 2.070 -12.077 0.000) 12.253 9.510 ( -3.983 -3.087 0.000) 5.039 9.542 ( 11.724 -15.707 0.000) 19.600 9.864 ( 2.510 -0.993 0.000) 2.699 9.931 ( 2.280 -14.049 0.000) 14.233 10.480 ( -1.605 -5.076 0.000) 5.323 10.541 ( 1.341 -1.398 0.000) 1.937 10.671 ( 2.635 4.941 0.000) 5.600 10.943 ( -5.830 -3.494 0.000) 6.797 10.957 ( 0.771 -9.119 0.000) 9.152 11.335 ( 3.350 -10.848 0.000) 11.354 11.373 ( -6.583 -5.867 0.000) 8.819 11.774 ( 0.774 4.994 0.000) 5.053 12.730 ( -25.981 11.898 0.000) 28.576 12.739 ( -2.570 -2.903 0.000) 3.877 13.183 ( 4.655 -0.911 0.000) 4.743 13.212 ( -8.262 14.346 0.000) 16.556 13.969 ( -4.019 18.300 0.000) 18.736 14.673 ( -9.028 -6.745 0.000) 11.270 15.079 ( 5.214 0.783 0.000) 5.273 15.185 ( 1.332 -0.620 0.000) 1.469 15.439 ( -11.471 -5.689 0.000) 12.804 15.826 ( 8.005 -3.044 0.000) 8.564 16.180 ( 10.020 -9.303 0.000) 13.673 16.361 ( 5.208 -1.675 0.000) 5.470 16.406 ( 5.304 -0.011 0.000) 5.304 16.586 ( 15.843 0.777 0.000) 15.862 17.117 ( -0.046 -1.860 0.000) 1.860 24.413 ( 0.099 0.324 0.000) 0.338 24.611 ( 0.584 4.821 0.000) 4.857 24.641 ( -0.275 -0.563 0.000) 0.626 24.793 ( -0.306 -1.381 0.000) 1.415 24.880 ( 2.374 -1.984 0.000) 3.094 24.996 ( -0.312 0.051 0.000) 0.316 25.672 ( -12.244 10.608 0.000) 16.200 25.844 ( -11.904 14.453 0.000) 18.725 27.206 ( -6.557 -1.687 0.000) 6.771 27.343 ( -1.588 -2.730 0.000) 3.158 27.551 ( 3.453 2.173 0.000) 4.079 27.629 ( -3.212 -4.662 0.000) 5.661 27.654 ( -2.485 -0.756 0.000) 2.597 27.789 ( 7.579 5.831 0.000) 9.562 28.362 ( 8.903 -12.102 0.000) 15.024 29.004 ( 9.944 -14.695 0.000) 17.743 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 16.774 10.771 0.000) 19.934 1.361 ( 18.508 14.439 0.000) 23.474 1.525 ( -0.028 18.164 0.000) 18.164 1.599 ( -9.192 4.103 0.000) 10.066 1.808 ( 7.957 5.437 0.000) 9.637 1.986 ( 2.585 1.132 0.000) 2.822 2.021 ( 10.439 10.953 0.000) 15.130 2.159 ( 3.406 7.733 0.000) 8.450 2.373 ( 0.694 7.611 0.000) 7.642 2.664 ( -5.822 4.247 0.000) 7.206 2.951 ( 6.435 -1.917 0.000) 6.715 2.989 ( -11.491 0.563 0.000) 11.505 3.166 ( -0.785 -5.385 0.000) 5.441 3.263 ( -1.497 2.548 0.000) 2.955 3.335 ( 18.119 4.224 0.000) 18.605 3.463 ( 3.365 -3.428 0.000) 4.803 3.516 ( 5.203 -8.002 0.000) 9.544 3.583 ( 13.452 -3.771 0.000) 13.971 3.657 ( -0.745 0.799 0.000) 1.092 3.743 ( 3.248 -5.632 0.000) 6.502 3.859 ( 0.131 -4.465 0.000) 4.467 3.939 ( 1.293 -0.102 0.000) 1.297 3.949 ( 4.810 4.440 0.000) 6.546 4.044 ( 1.612 3.670 0.000) 4.008 4.081 ( 18.810 1.773 0.000) 18.893 4.356 ( 4.215 -5.768 0.000) 7.144 4.386 ( 11.841 -0.652 0.000) 11.859 4.444 ( 6.880 1.304 0.000) 7.003 4.588 ( -4.319 3.341 0.000) 5.460 4.727 ( 1.319 2.023 0.000) 2.415 4.824 ( 2.857 -2.022 0.000) 3.500 4.856 ( 2.060 1.065 0.000) 2.319 5.027 ( 3.642 -2.347 0.000) 4.333 5.225 ( 8.659 0.036 0.000) 8.659 5.241 ( 11.761 -0.460 0.000) 11.770 5.608 ( 10.814 -8.633 0.000) 13.837 6.659 ( -1.139 3.696 0.000) 3.867 6.898 ( -1.426 2.601 0.000) 2.966 7.132 ( -1.224 2.979 0.000) 3.221 7.164 ( -6.000 7.891 0.000) 9.912 7.380 ( -2.671 -0.220 0.000) 2.680 7.491 ( -2.055 -2.381 0.000) 3.145 7.683 ( -0.705 6.014 0.000) 6.055 7.810 ( -0.934 2.793 0.000) 2.945 7.842 ( -1.274 0.902 0.000) 1.561 7.893 ( -4.929 -0.888 0.000) 5.008 7.923 ( 1.387 -3.344 0.000) 3.620 8.008 ( 0.694 0.017 0.000) 0.694 8.410 ( -1.623 1.495 0.000) 2.206 8.585 ( 1.302 4.862 0.000) 5.033 8.892 ( -3.070 4.643 0.000) 5.566 8.983 ( 4.121 -2.981 0.000) 5.086 9.306 ( -2.674 -8.976 0.000) 9.366 9.411 ( -4.833 -2.220 0.000) 5.319 9.661 ( -1.257 -18.505 0.000) 18.548 9.885 ( -2.281 -4.299 0.000) 4.867 9.923 ( 2.752 1.002 0.000) 2.929 10.430 ( -2.892 -0.836 0.000) 3.011 10.565 ( 1.013 -1.009 0.000) 1.430 10.710 ( 1.113 6.518 0.000) 6.613 10.758 ( -10.786 -2.277 0.000) 11.024 11.007 ( 3.380 -15.296 0.000) 15.665 11.181 ( -10.751 -3.942 0.000) 11.451 11.398 ( 1.938 -12.831 0.000) 12.976 11.793 ( 0.939 3.567 0.000) 3.689 12.354 ( -11.568 5.077 0.000) 12.633 12.668 ( -4.021 -2.834 0.000) 4.920 13.024 ( -8.533 16.667 0.000) 18.724 13.289 ( 4.727 -4.494 0.000) 6.522 13.853 ( -6.718 18.079 0.000) 19.287 14.483 ( -8.036 -5.866 0.000) 9.949 15.187 ( 1.841 -0.175 0.000) 1.849 15.226 ( -7.623 -4.775 0.000) 8.995 15.230 ( 5.387 1.181 0.000) 5.515 15.777 ( -7.271 7.212 0.000) 10.241 16.340 ( -2.101 0.531 0.000) 2.167 16.382 ( 7.525 -5.376 0.000) 9.248 16.659 ( 12.510 -3.364 0.000) 12.954 16.927 ( 14.870 -2.395 0.000) 15.062 17.111 ( -0.456 -1.821 0.000) 1.877 24.418 ( 0.333 0.098 0.000) 0.347 24.621 ( -0.060 0.357 0.000) 0.362 24.638 ( 0.362 3.237 0.000) 3.257 24.797 ( 0.646 -0.719 0.000) 0.967 24.917 ( 1.157 -2.032 0.000) 2.338 24.987 ( -0.482 0.034 0.000) 0.484 25.454 ( -5.873 10.283 0.000) 11.842 25.739 ( -4.333 4.069 0.000) 5.944 27.079 ( -5.227 -0.621 0.000) 5.264 27.315 ( -1.159 -3.833 0.000) 4.005 27.515 ( -6.082 -2.805 0.000) 6.698 27.599 ( 1.526 3.997 0.000) 4.278 27.600 ( -3.084 -1.248 0.000) 3.327 27.968 ( 8.454 3.578 0.000) 9.180 28.293 ( -8.493 -1.011 0.000) 8.553 29.218 ( 8.301 -14.763 0.000) 16.937 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 4.788 12.066 0.000) 12.981 1.410 ( -4.318 5.555 0.000) 7.036 1.570 ( 4.867 9.573 0.000) 10.739 1.778 ( 15.362 3.198 0.000) 15.691 2.005 ( 0.923 6.463 0.000) 6.528 2.017 ( 12.336 7.561 0.000) 14.469 2.127 ( 2.297 -1.020 0.000) 2.513 2.247 ( 2.934 6.825 0.000) 7.429 2.310 ( -3.913 0.772 0.000) 3.988 2.585 ( -2.142 5.183 0.000) 5.608 2.700 ( -15.182 4.021 0.000) 15.705 2.913 ( -9.760 1.098 0.000) 9.822 3.206 ( 2.147 -2.730 0.000) 3.473 3.282 ( 3.981 3.413 0.000) 5.244 3.517 ( 1.677 -3.258 0.000) 3.664 3.556 ( 3.938 -7.012 0.000) 8.042 3.632 ( 2.031 1.141 0.000) 2.330 3.704 ( 7.355 0.875 0.000) 7.407 3.773 ( 3.277 -7.104 0.000) 7.823 3.849 ( -0.792 -2.630 0.000) 2.746 3.886 ( 8.134 2.653 0.000) 8.556 3.972 ( 1.572 -0.340 0.000) 1.609 4.052 ( -0.202 2.565 0.000) 2.572 4.060 ( 5.538 0.089 0.000) 5.539 4.304 ( 0.838 -3.609 0.000) 3.705 4.404 ( -5.403 -0.493 0.000) 5.426 4.530 ( 4.337 0.950 0.000) 4.440 4.596 ( 4.994 2.214 0.000) 5.463 4.674 ( 18.760 4.517 0.000) 19.296 4.773 ( 3.306 -0.044 0.000) 3.306 4.879 ( 2.061 0.021 0.000) 2.062 4.906 ( 2.612 1.576 0.000) 3.051 5.090 ( 2.331 0.689 0.000) 2.430 5.426 ( 8.880 0.824 0.000) 8.918 5.568 ( 14.923 -1.251 0.000) 14.975 5.845 ( 10.112 -7.486 0.000) 12.581 6.678 ( 2.480 2.243 0.000) 3.344 6.858 ( -2.564 0.711 0.000) 2.661 7.087 ( -2.353 5.273 0.000) 5.774 7.095 ( -1.251 2.799 0.000) 3.066 7.316 ( -3.027 0.267 0.000) 3.039 7.443 ( -2.198 -1.960 0.000) 2.945 7.667 ( -0.675 4.732 0.000) 4.780 7.794 ( -0.085 0.609 0.000) 0.614 7.798 ( -2.475 -3.146 0.000) 4.002 7.833 ( -0.519 1.159 0.000) 1.270 7.921 ( -1.760 -1.589 0.000) 2.371 8.025 ( 0.749 -0.207 0.000) 0.777 8.373 ( -1.631 4.282 0.000) 4.582 8.610 ( 0.896 0.028 0.000) 0.896 8.833 ( -2.577 5.074 0.000) 5.691 9.008 ( -1.347 -8.570 0.000) 8.675 9.251 ( -1.907 -7.157 0.000) 7.406 9.339 ( -1.659 3.381 0.000) 3.766 9.474 ( -12.130 -17.710 0.000) 21.465 9.940 ( 4.604 0.449 0.000) 4.625 9.968 ( 1.447 2.275 0.000) 2.697 10.381 ( -1.247 0.820 0.000) 1.493 10.535 ( -9.463 -1.092 0.000) 9.526 10.598 ( 2.191 0.691 0.000) 2.298 10.717 ( -0.555 5.429 0.000) 5.457 10.978 ( -7.578 -2.379 0.000) 7.943 11.080 ( 3.080 -19.667 0.000) 19.906 11.409 ( -0.555 -13.088 0.000) 13.100 11.810 ( 0.649 2.213 0.000) 2.306 12.197 ( -4.264 -0.818 0.000) 4.342 12.587 ( -3.222 -2.706 0.000) 4.208 12.889 ( -4.176 18.990 0.000) 19.444 13.372 ( 3.295 -6.307 0.000) 7.116 13.712 ( -6.198 17.834 0.000) 18.880 14.358 ( -3.835 -4.917 0.000) 6.236 15.126 ( -2.367 -4.405 0.000) 5.001 15.199 ( 0.139 0.011 0.000) 0.139 15.340 ( 3.933 0.190 0.000) 3.937 15.622 ( -6.304 9.574 0.000) 11.463 16.301 ( -1.442 1.921 0.000) 2.402 16.494 ( 3.445 -0.509 0.000) 3.483 16.869 ( 7.158 -4.438 0.000) 8.422 17.098 ( -0.421 -1.837 0.000) 1.885 17.171 ( 7.915 -2.631 0.000) 8.341 24.426 ( 0.428 -0.129 0.000) 0.447 24.610 ( -0.640 -1.432 0.000) 1.569 24.653 ( 0.702 4.384 0.000) 4.440 24.816 ( 0.985 -0.429 0.000) 1.074 24.931 ( 0.213 -1.630 0.000) 1.643 24.978 ( -0.377 0.023 0.000) 0.378 25.407 ( 0.884 5.667 0.000) 5.735 25.622 ( -6.526 2.323 0.000) 6.927 26.995 ( -2.736 -0.218 0.000) 2.744 27.296 ( -0.687 -4.680 0.000) 4.730 27.404 ( -4.088 -1.715 0.000) 4.433 27.540 ( -2.279 -1.912 0.000) 2.975 27.622 ( 0.735 5.398 0.000) 5.448 28.112 ( 4.921 2.333 0.000) 5.446 28.134 ( -5.689 3.575 0.000) 6.719 29.341 ( 3.774 -12.178 0.000) 12.750 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 0.000 4.611 0.000) 4.611 1.425 ( -0.000 15.199 0.000) 15.199 1.638 ( 0.000 4.231 0.000) 4.231 1.942 ( 0.000 -0.162 0.000) 0.162 2.034 ( 0.000 11.479 0.000) 11.479 2.154 ( -0.000 -9.351 0.000) 9.351 2.248 ( -0.000 7.450 0.000) 7.450 2.259 ( 0.000 -0.449 0.000) 0.449 2.288 ( -0.000 8.528 0.000) 8.528 2.442 ( 0.000 5.889 0.000) 5.889 2.575 ( -0.000 -1.609 0.000) 1.609 2.756 ( 0.000 12.021 0.000) 12.021 3.223 ( 0.000 -3.020 0.000) 3.020 3.333 ( -0.000 1.428 0.000) 1.428 3.534 ( 0.000 -3.494 0.000) 3.494 3.593 ( -0.000 -9.035 0.000) 9.035 3.645 ( 0.000 1.893 0.000) 1.893 3.803 ( 0.000 -7.898 0.000) 7.898 3.804 ( -0.000 -2.883 0.000) 2.883 3.837 ( 0.000 4.138 0.000) 4.138 3.963 ( 0.000 6.651 0.000) 6.651 3.990 ( -0.000 -3.057 0.000) 3.057 4.048 ( -0.000 1.837 0.000) 1.837 4.129 ( 0.000 -2.731 0.000) 2.731 4.288 ( 0.000 1.601 0.000) 1.601 4.340 ( 0.000 -2.871 0.000) 2.871 4.589 ( 0.000 -2.717 0.000) 2.717 4.629 ( -0.000 5.429 0.000) 5.429 4.824 ( 0.000 -2.515 0.000) 2.515 4.902 ( 0.000 1.076 0.000) 1.076 4.916 ( 0.000 3.064 0.000) 3.064 4.940 ( 0.000 3.002 0.000) 3.002 5.118 ( 0.000 2.868 0.000) 2.868 5.536 ( 0.000 2.013 0.000) 2.013 5.737 ( -0.000 -0.975 0.000) 0.975 5.954 ( 0.000 -6.849 0.000) 6.849 6.722 ( 0.000 0.340 0.000) 0.340 6.813 ( -0.000 0.183 0.000) 0.183 7.060 ( -0.000 7.063 0.000) 7.063 7.087 ( 0.000 0.579 0.000) 0.579 7.279 ( -0.000 0.852 0.000) 0.852 7.417 ( 0.000 -1.945 0.000) 1.945 7.659 ( 0.000 4.419 0.000) 4.419 7.772 ( 0.000 -3.285 0.000) 3.285 7.806 ( 0.000 -2.173 0.000) 2.173 7.838 ( 0.000 -1.377 0.000) 1.377 7.882 ( -0.000 1.145 0.000) 1.145 8.033 ( -0.000 1.389 0.000) 1.389 8.352 ( 0.000 4.501 0.000) 4.501 8.620 ( 0.000 -1.325 0.000) 1.325 8.798 ( 0.000 3.552 0.000) 3.552 8.982 ( 0.000 -10.274 0.000) 10.274 9.244 ( 0.000 -7.748 0.000) 7.748 9.310 ( 0.000 -12.232 0.000) 12.232 9.327 ( 0.000 5.788 0.000) 5.788 9.982 ( 0.000 2.642 0.000) 2.642 9.996 ( 0.000 -1.031 0.000) 1.031 10.393 ( 0.000 0.606 0.000) 0.606 10.404 ( -0.000 -0.132 0.000) 0.132 10.636 ( -0.000 3.428 0.000) 3.428 10.696 ( 0.000 2.524 0.000) 2.524 10.897 ( 0.000 -1.314 0.000) 1.314 11.116 ( 0.000 -21.255 0.000) 21.255 11.398 ( 0.000 -13.077 0.000) 13.077 11.817 ( 0.000 1.738 0.000) 1.738 12.156 ( 0.000 -2.934 0.000) 2.934 12.551 ( 0.000 -2.624 0.000) 2.624 12.847 ( 0.000 19.878 0.000) 19.878 13.414 ( 0.000 -7.976 0.000) 7.976 13.634 ( 0.000 18.876 0.000) 18.876 14.319 ( 0.000 -4.557 0.000) 4.557 15.106 ( -0.000 -4.187 0.000) 4.187 15.200 ( 0.000 -0.074 0.000) 0.074 15.382 ( -0.000 -0.311 0.000) 0.311 15.551 ( -0.000 10.285 0.000) 10.285 16.285 ( 0.000 2.594 0.000) 2.594 16.530 ( 0.000 0.875 0.000) 0.875 16.945 ( 0.000 -4.714 0.000) 4.714 17.092 ( 0.000 -1.791 0.000) 1.791 17.255 ( 0.000 -2.655 0.000) 2.655 24.432 ( -0.000 -0.226 0.000) 0.226 24.602 ( 0.000 -1.443 0.000) 1.443 24.661 ( 0.000 4.135 0.000) 4.135 24.829 ( -0.000 -0.495 0.000) 0.495 24.932 ( 0.000 -1.319 0.000) 1.319 24.973 ( 0.000 0.022 0.000) 0.022 25.456 ( 0.000 4.659 0.000) 4.659 25.511 ( -0.000 1.499 0.000) 1.499 26.966 ( 0.000 -0.095 0.000) 0.095 27.288 ( 0.000 -4.949 0.000) 4.949 27.359 ( 0.000 -1.295 0.000) 1.295 27.515 ( 0.000 -2.089 0.000) 2.089 27.630 ( -0.000 5.860 0.000) 5.860 28.074 ( 0.000 4.864 0.000) 4.864 28.164 ( 0.000 1.946 0.000) 1.946 29.380 ( 0.000 -11.535 0.000) 11.535 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 21.408 0.000) 21.408 1.229 ( 0.000 28.473 0.000) 28.473 1.656 ( 0.000 0.647 0.000) 0.647 1.963 ( 0.000 2.868 0.000) 2.868 2.090 ( 0.000 30.228 0.000) 30.228 2.103 ( 0.000 27.543 0.000) 27.543 2.196 ( 0.000 3.565 0.000) 3.565 2.369 ( 0.000 8.363 0.000) 8.363 2.425 ( 0.000 9.251 0.000) 9.251 2.736 ( 0.000 -8.211 0.000) 8.211 2.760 ( 0.000 5.963 0.000) 5.963 2.987 ( 0.000 -1.310 0.000) 1.310 3.005 ( 0.000 4.020 0.000) 4.020 3.146 ( 0.000 -7.463 0.000) 7.463 3.177 ( 0.000 -0.216 0.000) 0.216 3.195 ( 0.000 -6.757 0.000) 6.757 3.228 ( 0.000 -4.371 0.000) 4.371 3.263 ( 0.000 2.394 0.000) 2.394 3.512 ( 0.000 -11.039 0.000) 11.039 3.623 ( 0.000 -2.703 0.000) 2.703 3.624 ( 0.000 -9.736 0.000) 9.736 3.810 ( 0.000 0.723 0.000) 0.723 3.869 ( 0.000 -1.975 0.000) 1.975 3.933 ( 0.000 0.799 0.000) 0.799 4.039 ( 0.000 3.102 0.000) 3.102 4.102 ( 0.000 -2.267 0.000) 2.267 4.119 ( 0.000 10.496 0.000) 10.496 4.147 ( 0.000 0.033 0.000) 0.033 4.497 ( 0.000 -13.997 0.000) 13.997 4.759 ( 0.000 -9.542 0.000) 9.542 4.768 ( 0.000 8.992 0.000) 8.992 4.838 ( 0.000 2.717 0.000) 2.717 5.023 ( 0.000 2.014 0.000) 2.014 5.042 ( 0.000 -1.256 0.000) 1.256 5.130 ( 0.000 0.513 0.000) 0.513 5.146 ( 0.000 -5.137 0.000) 5.137 6.915 ( 0.000 4.731 0.000) 4.731 6.986 ( 0.000 2.886 0.000) 2.886 7.130 ( 0.000 3.882 0.000) 3.882 7.405 ( 0.000 -0.579 0.000) 0.579 7.450 ( 0.000 -4.827 0.000) 4.827 7.656 ( 0.000 -6.955 0.000) 6.955 7.749 ( 0.000 6.552 0.000) 6.552 7.858 ( 0.000 0.142 0.000) 0.142 7.888 ( 0.000 2.869 0.000) 2.869 7.946 ( 0.000 6.830 0.000) 6.830 7.968 ( 0.000 -0.720 0.000) 0.720 8.390 ( 0.000 1.223 0.000) 1.223 8.591 ( 0.000 -9.761 0.000) 9.761 8.596 ( 0.000 0.837 0.000) 0.837 8.686 ( 0.000 -4.559 0.000) 4.559 8.957 ( 0.000 17.322 0.000) 17.322 9.062 ( 0.000 -16.246 0.000) 16.246 9.212 ( 0.000 11.566 0.000) 11.566 9.515 ( 0.000 -0.777 0.000) 0.777 9.763 ( 0.000 -4.477 0.000) 4.477 9.867 ( 0.000 -0.008 0.000) 0.008 10.251 ( 0.000 -16.494 0.000) 16.494 10.547 ( 0.000 0.732 0.000) 0.732 10.679 ( 0.000 1.455 0.000) 1.455 10.797 ( 0.000 -5.067 0.000) 5.067 10.928 ( 0.000 -4.861 0.000) 4.861 11.058 ( 0.000 -11.672 0.000) 11.672 11.280 ( 0.000 -9.053 0.000) 9.053 11.964 ( 0.000 12.854 0.000) 12.854 12.673 ( 0.000 -6.334 0.000) 6.334 13.137 ( 0.000 1.428 0.000) 1.428 13.183 ( 0.000 -2.069 0.000) 2.069 13.643 ( 0.000 17.536 0.000) 17.536 14.422 ( 0.000 20.302 0.000) 20.302 14.597 ( 0.000 -11.323 0.000) 11.323 15.036 ( 0.000 0.235 0.000) 0.235 15.101 ( 0.000 -2.956 0.000) 2.956 15.367 ( 0.000 -4.241 0.000) 4.241 15.613 ( 0.000 -0.567 0.000) 0.567 15.957 ( 0.000 -6.229 0.000) 6.229 16.253 ( 0.000 1.567 0.000) 1.567 16.385 ( 0.000 -1.398 0.000) 1.398 16.572 ( 0.000 9.435 0.000) 9.435 17.054 ( 0.000 -4.258 0.000) 4.258 24.431 ( 0.000 1.497 0.000) 1.497 24.597 ( 0.000 -2.589 0.000) 2.589 24.753 ( 0.000 7.225 0.000) 7.225 24.771 ( 0.000 -1.203 0.000) 1.203 24.814 ( 0.000 -1.474 0.000) 1.474 24.994 ( 0.000 -0.717 0.000) 0.717 25.863 ( 0.000 6.491 0.000) 6.491 26.295 ( 0.000 -4.587 0.000) 4.587 27.238 ( 0.000 -2.382 0.000) 2.382 27.274 ( 0.000 -4.531 0.000) 4.531 27.493 ( 0.000 -1.787 0.000) 1.787 27.623 ( 0.000 8.011 0.000) 8.011 27.633 ( 0.000 -4.320 0.000) 4.320 27.818 ( 0.000 3.730 0.000) 3.730 28.159 ( 0.000 10.796 0.000) 10.796 28.746 ( 0.000 -9.272 0.000) 9.272 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 8.542 18.389 0.000) 20.276 1.414 ( 13.349 22.895 0.000) 26.502 1.688 ( 2.642 0.834 0.000) 2.770 1.968 ( -3.352 0.721 0.000) 3.429 1.989 ( -8.885 6.071 0.000) 10.761 2.098 ( 0.312 27.024 0.000) 27.026 2.223 ( 8.902 27.000 0.000) 28.430 2.355 ( -1.596 10.534 0.000) 10.654 2.477 ( 0.897 2.979 0.000) 3.112 2.716 ( -2.120 -8.375 0.000) 8.639 2.926 ( 1.658 8.120 0.000) 8.287 2.947 ( 13.569 3.344 0.000) 13.975 3.031 ( -0.682 -6.828 0.000) 6.862 3.213 ( 4.976 -2.816 0.000) 5.717 3.235 ( 4.523 -3.698 0.000) 5.842 3.238 ( 2.437 -4.415 0.000) 5.043 3.255 ( 4.285 -2.164 0.000) 4.800 3.343 ( 6.460 1.518 0.000) 6.636 3.544 ( 3.565 -6.901 0.000) 7.767 3.627 ( 1.013 -8.067 0.000) 8.131 3.736 ( 5.299 -3.672 0.000) 6.447 3.787 ( 2.107 0.656 0.000) 2.206 3.904 ( 4.511 -2.906 0.000) 5.366 3.963 ( 4.197 3.877 0.000) 5.714 4.047 ( 1.148 2.946 0.000) 3.161 4.190 ( 3.213 -0.259 0.000) 3.223 4.192 ( 6.585 5.124 0.000) 8.344 4.256 ( 11.282 -0.515 0.000) 11.294 4.561 ( 6.112 -10.942 0.000) 12.533 4.749 ( -2.030 7.263 0.000) 7.542 4.785 ( 2.575 -6.881 0.000) 7.347 4.859 ( 2.145 1.260 0.000) 2.487 4.904 ( -4.572 3.575 0.000) 5.804 5.104 ( 3.060 -0.694 0.000) 3.138 5.122 ( -0.748 -3.333 0.000) 3.416 5.252 ( 7.937 -4.746 0.000) 9.248 6.833 ( -5.056 5.308 0.000) 7.331 6.978 ( -1.346 1.759 0.000) 2.214 7.193 ( 3.823 4.755 0.000) 6.101 7.397 ( -0.843 -0.475 0.000) 0.967 7.453 ( -0.044 -3.753 0.000) 3.754 7.515 ( -10.118 1.149 0.000) 10.183 7.796 ( 1.536 1.793 0.000) 2.361 7.837 ( -1.546 -1.345 0.000) 2.049 7.890 ( 0.269 2.402 0.000) 2.417 7.912 ( -2.368 2.763 0.000) 3.639 7.961 ( -2.304 1.759 0.000) 2.899 8.189 ( -13.064 5.809 0.000) 14.297 8.395 ( 0.370 0.167 0.000) 0.406 8.716 ( 2.037 -3.758 0.000) 4.274 8.911 ( 6.989 -9.184 0.000) 11.541 8.951 ( -0.693 14.748 0.000) 14.764 9.064 ( 0.072 -15.620 0.000) 15.620 9.290 ( 5.663 4.111 0.000) 6.998 9.480 ( -2.393 1.198 0.000) 2.676 9.813 ( 3.946 -4.126 0.000) 5.710 9.879 ( 0.889 0.650 0.000) 1.101 10.274 ( 2.043 -16.069 0.000) 16.198 10.525 ( -0.581 -0.227 0.000) 0.624 10.743 ( 4.260 0.855 0.000) 4.345 10.760 ( -3.360 -6.295 0.000) 7.136 10.865 ( -5.843 -4.414 0.000) 7.323 11.031 ( -2.234 -14.556 0.000) 14.727 11.228 ( -5.019 -8.121 0.000) 9.546 11.962 ( -0.225 12.298 0.000) 12.300 12.646 ( -2.459 -6.225 0.000) 6.693 12.918 ( -18.320 7.138 0.000) 19.661 13.165 ( 0.859 -1.220 0.000) 1.492 13.558 ( -7.045 17.798 0.000) 19.141 14.353 ( -5.273 18.498 0.000) 19.235 14.486 ( -8.540 -11.017 0.000) 13.939 15.096 ( 5.375 0.776 0.000) 5.431 15.160 ( 3.713 -1.639 0.000) 4.059 15.279 ( -10.052 -9.694 0.000) 13.965 15.807 ( 16.532 1.667 0.000) 16.616 16.073 ( 6.880 -3.783 0.000) 7.851 16.335 ( 5.115 -0.523 0.000) 5.141 16.396 ( 3.060 -0.948 0.000) 3.204 16.651 ( 8.265 5.390 0.000) 9.867 17.054 ( -0.069 -4.264 0.000) 4.265 24.430 ( -0.089 1.404 0.000) 1.407 24.593 ( -0.386 -2.594 0.000) 2.623 24.755 ( 0.139 6.967 0.000) 6.969 24.771 ( 0.302 -0.664 0.000) 0.729 24.837 ( 1.652 -2.118 0.000) 2.686 24.991 ( -0.328 -0.725 0.000) 0.795 25.815 ( -5.161 6.286 0.000) 8.134 26.059 ( -15.290 4.398 0.000) 15.910 27.170 ( -5.007 -1.482 0.000) 5.222 27.257 ( -1.708 -4.461 0.000) 4.777 27.523 ( -0.758 -4.400 0.000) 4.465 27.597 ( -2.500 -4.229 0.000) 4.913 27.666 ( 3.182 7.442 0.000) 8.093 27.886 ( 5.902 3.030 0.000) 6.634 28.288 ( 7.154 3.499 0.000) 7.964 28.770 ( 3.819 -9.602 0.000) 10.334 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 11.143 12.746 0.000) 16.931 1.659 ( 7.512 11.499 0.000) 13.735 1.720 ( -8.149 8.711 0.000) 11.929 1.743 ( 2.039 2.877 0.000) 3.526 2.013 ( 1.886 2.047 0.000) 2.783 2.147 ( 4.930 24.737 0.000) 25.223 2.314 ( -1.216 12.491 0.000) 12.550 2.360 ( 0.124 9.342 0.000) 9.342 2.438 ( -0.769 4.536 0.000) 4.601 2.653 ( -3.774 -5.580 0.000) 6.736 2.954 ( 0.116 -4.856 0.000) 4.858 3.014 ( -6.050 1.748 0.000) 6.297 3.104 ( 3.803 0.538 0.000) 3.841 3.312 ( 1.759 -2.402 0.000) 2.977 3.315 ( 3.272 -8.949 0.000) 9.528 3.360 ( 5.976 -2.720 0.000) 6.566 3.462 ( 15.160 5.149 0.000) 16.011 3.491 ( 7.886 -3.131 0.000) 8.485 3.661 ( 2.308 -3.691 0.000) 4.353 3.692 ( 10.894 4.418 0.000) 11.756 3.728 ( -0.807 -5.078 0.000) 5.142 3.897 ( 4.390 -1.799 0.000) 4.744 4.072 ( 4.791 6.354 0.000) 7.958 4.072 ( 2.674 -0.534 0.000) 2.727 4.164 ( 12.853 2.810 0.000) 13.157 4.261 ( 5.464 -2.837 0.000) 6.157 4.375 ( 10.685 -0.749 0.000) 10.711 4.474 ( 8.461 1.980 0.000) 8.690 4.682 ( -2.964 6.926 0.000) 7.534 4.726 ( 8.339 -3.040 0.000) 8.876 4.824 ( -0.561 3.231 0.000) 3.279 4.870 ( 2.374 -1.000 0.000) 2.576 4.955 ( 6.550 -3.143 0.000) 7.266 5.210 ( 10.430 -3.166 0.000) 10.900 5.220 ( 8.725 -0.875 0.000) 8.768 5.430 ( 10.297 -8.126 0.000) 13.117 6.755 ( -2.117 5.161 0.000) 5.578 6.932 ( -2.936 0.485 0.000) 2.975 7.241 ( 0.733 6.592 0.000) 6.633 7.303 ( -8.860 5.146 0.000) 10.246 7.370 ( -2.203 -0.372 0.000) 2.234 7.439 ( -1.307 -2.508 0.000) 2.828 7.780 ( -2.830 -2.602 0.000) 3.844 7.791 ( -2.712 -2.841 0.000) 3.927 7.848 ( -5.946 1.671 0.000) 6.177 7.870 ( -1.600 2.202 0.000) 2.722 7.912 ( 1.425 1.087 0.000) 1.793 8.073 ( -1.374 5.594 0.000) 5.760 8.403 ( 0.364 -0.582 0.000) 0.686 8.742 ( 0.287 -2.332 0.000) 2.350 8.916 ( -2.981 9.109 0.000) 9.584 8.956 ( -1.257 -4.091 0.000) 4.280 9.060 ( -0.484 -13.551 0.000) 13.559 9.339 ( -1.607 -1.148 0.000) 1.976 9.447 ( -0.456 5.341 0.000) 5.360 9.898 ( 3.736 -3.807 0.000) 5.334 9.910 ( 2.321 2.367 0.000) 3.315 10.325 ( 2.521 -13.715 0.000) 13.945 10.535 ( 1.353 -1.826 0.000) 2.272 10.671 ( -4.728 -10.760 0.000) 11.753 10.702 ( -9.076 -3.103 0.000) 9.592 10.808 ( 1.417 2.202 0.000) 2.619 10.986 ( -1.774 -21.035 0.000) 21.109 11.083 ( -8.065 -6.266 0.000) 10.213 11.955 ( -0.451 10.971 0.000) 10.980 12.567 ( -13.856 12.717 0.000) 18.807 12.578 ( -3.798 -5.917 0.000) 7.031 13.183 ( 0.614 -6.212 0.000) 6.242 13.404 ( -6.695 18.759 0.000) 19.918 14.227 ( -6.581 17.617 0.000) 18.806 14.315 ( -6.906 -10.055 0.000) 12.198 15.088 ( -7.032 -8.629 0.000) 11.131 15.190 ( 2.014 0.456 0.000) 2.065 15.245 ( 5.120 0.099 0.000) 5.121 15.955 ( -1.929 9.163 0.000) 9.363 16.283 ( 12.134 -3.713 0.000) 12.689 16.360 ( -0.023 1.504 0.000) 1.504 16.573 ( 10.051 -4.562 0.000) 11.037 16.886 ( 12.267 -1.206 0.000) 12.326 17.050 ( -0.301 -4.003 0.000) 4.015 24.429 ( 0.017 1.123 0.000) 1.123 24.582 ( -0.669 -2.585 0.000) 2.670 24.759 ( 0.229 6.350 0.000) 6.355 24.786 ( 1.071 -0.195 0.000) 1.089 24.869 ( 1.307 -2.428 0.000) 2.757 24.981 ( -0.501 -0.739 0.000) 0.893 25.648 ( -8.543 7.897 0.000) 11.633 25.829 ( -7.934 3.533 0.000) 8.685 27.067 ( -4.467 -0.300 0.000) 4.477 27.215 ( -1.981 -5.132 0.000) 5.501 27.451 ( -4.569 -2.838 0.000) 5.379 27.540 ( -3.174 -4.333 0.000) 5.371 27.730 ( 2.777 8.005 0.000) 8.473 28.027 ( 6.781 1.401 0.000) 6.924 28.322 ( -2.523 4.373 0.000) 5.048 28.913 ( 7.887 -13.550 0.000) 15.678 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -4.874 6.970 0.000) 8.505 1.614 ( 7.789 9.079 0.000) 11.962 1.761 ( -0.232 6.151 0.000) 6.155 1.849 ( 6.791 2.964 0.000) 7.410 2.034 ( -0.102 0.194 0.000) 0.219 2.295 ( -2.486 2.479 0.000) 3.511 2.299 ( -0.439 10.348 0.000) 10.357 2.308 ( 10.136 19.885 0.000) 22.319 2.468 ( 1.013 8.536 0.000) 8.596 2.576 ( -2.827 -0.520 0.000) 2.874 2.821 ( -11.356 7.533 0.000) 13.628 2.949 ( -1.098 -0.851 0.000) 1.389 3.125 ( 0.427 -4.363 0.000) 4.384 3.334 ( 0.194 -3.619 0.000) 3.624 3.364 ( 1.538 -10.480 0.000) 10.593 3.454 ( 3.195 -1.684 0.000) 3.612 3.587 ( 1.019 -6.059 0.000) 6.144 3.660 ( 3.744 -0.171 0.000) 3.748 3.708 ( -0.233 -3.712 0.000) 3.719 3.763 ( 6.957 -2.565 0.000) 7.415 3.953 ( 11.284 5.180 0.000) 12.416 3.963 ( 0.946 0.515 0.000) 1.077 4.091 ( -0.688 0.869 0.000) 1.108 4.143 ( 1.980 5.260 0.000) 5.620 4.258 ( 1.885 -0.447 0.000) 1.937 4.373 ( -2.034 -2.446 0.000) 3.181 4.555 ( 3.240 1.236 0.000) 3.468 4.621 ( 7.154 0.465 0.000) 7.169 4.801 ( -0.169 2.771 0.000) 2.776 4.818 ( 15.482 9.478 0.000) 18.153 4.883 ( 4.653 0.461 0.000) 4.676 4.930 ( 2.861 0.733 0.000) 2.953 5.091 ( 5.995 -1.021 0.000) 6.081 5.437 ( 11.105 0.195 0.000) 11.107 5.496 ( 13.777 -6.237 0.000) 15.123 5.691 ( 12.107 -6.597 0.000) 13.787 6.742 ( 0.435 3.625 0.000) 3.651 6.862 ( -3.509 -0.079 0.000) 3.510 7.159 ( -4.803 3.260 0.000) 5.804 7.242 ( -0.147 8.128 0.000) 8.129 7.317 ( -2.472 -0.223 0.000) 2.482 7.401 ( -2.038 -1.817 0.000) 2.730 7.715 ( -2.539 -4.333 0.000) 5.022 7.740 ( -1.789 -3.537 0.000) 3.964 7.764 ( -2.316 -1.745 0.000) 2.899 7.834 ( -1.835 4.484 0.000) 4.845 7.919 ( -0.979 0.253 0.000) 1.011 8.056 ( -0.480 2.910 0.000) 2.949 8.408 ( 0.057 -0.436 0.000) 0.440 8.739 ( -0.098 -3.696 0.000) 3.698 8.835 ( -4.035 9.257 0.000) 10.099 8.874 ( -6.142 -5.569 0.000) 8.291 9.045 ( -0.760 -11.880 0.000) 11.905 9.275 ( -2.827 5.571 0.000) 6.247 9.452 ( 0.485 7.060 0.000) 7.076 9.956 ( 1.709 -3.992 0.000) 4.342 9.967 ( 2.623 1.783 0.000) 3.172 10.367 ( 1.452 -7.028 0.000) 7.177 10.516 ( -7.445 -0.573 0.000) 7.467 10.584 ( 3.462 -2.788 0.000) 4.445 10.598 ( -2.261 -20.306 0.000) 20.431 10.790 ( -3.354 1.876 0.000) 3.843 10.929 ( -4.080 -2.738 0.000) 4.914 10.968 ( -1.467 -24.464 0.000) 24.508 11.946 ( -0.290 9.613 0.000) 9.617 12.354 ( -6.681 13.036 0.000) 14.648 12.503 ( -2.974 -5.497 0.000) 6.250 13.191 ( 0.216 -10.882 0.000) 10.885 13.301 ( -3.073 19.692 0.000) 19.930 14.099 ( -5.039 18.639 0.000) 19.308 14.212 ( -3.102 -9.184 0.000) 9.693 14.993 ( -2.398 -8.604 0.000) 8.932 15.207 ( 0.147 0.930 0.000) 0.941 15.334 ( 2.840 -1.055 0.000) 3.029 15.876 ( -3.882 14.132 0.000) 14.656 16.362 ( 0.235 4.047 0.000) 4.054 16.476 ( 5.972 -1.737 0.000) 6.220 16.749 ( 6.206 -6.770 0.000) 9.185 17.042 ( -0.166 -3.156 0.000) 3.160 17.102 ( 7.409 -3.835 0.000) 8.343 24.431 ( 0.160 0.751 0.000) 0.768 24.568 ( -0.611 -2.512 0.000) 2.585 24.763 ( 0.185 5.722 0.000) 5.725 24.809 ( 0.956 -0.091 0.000) 0.960 24.889 ( 0.643 -2.201 0.000) 2.293 24.972 ( -0.382 -0.745 0.000) 0.837 25.532 ( -2.209 5.790 0.000) 6.197 25.673 ( -7.059 2.012 0.000) 7.340 26.994 ( -2.403 0.325 0.000) 2.424 27.182 ( -1.132 -5.712 0.000) 5.823 27.367 ( -3.101 -1.462 0.000) 3.428 27.479 ( -2.252 -3.788 0.000) 4.406 27.776 ( 1.525 8.922 0.000) 9.052 28.144 ( 4.056 0.098 0.000) 4.057 28.256 ( -2.861 8.198 0.000) 8.683 29.041 ( 4.055 -15.561 0.000) 16.080 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.000 7.378 0.000) 7.378 1.713 ( -0.000 10.298 0.000) 10.298 1.741 ( 0.000 5.180 0.000) 5.180 1.928 ( 0.000 -3.519 0.000) 3.519 2.027 ( 0.000 -0.677 0.000) 0.677 2.273 ( -0.000 7.281 0.000) 7.281 2.295 ( 0.000 4.726 0.000) 4.726 2.473 ( -0.000 5.073 0.000) 5.073 2.511 ( -0.000 17.835 0.000) 17.835 2.549 ( -0.000 5.362 0.000) 5.362 2.606 ( 0.000 9.514 0.000) 9.514 2.928 ( 0.000 3.769 0.000) 3.769 3.139 ( 0.000 -5.116 0.000) 5.116 3.331 ( -0.000 -6.177 0.000) 6.177 3.380 ( 0.000 -11.088 0.000) 11.088 3.490 ( 0.000 -0.006 0.000) 0.006 3.585 ( -0.000 -7.278 0.000) 7.278 3.696 ( 0.000 2.832 0.000) 2.832 3.700 ( -0.000 -8.407 0.000) 8.407 3.894 ( -0.000 -5.282 0.000) 5.282 3.925 ( 0.000 4.385 0.000) 4.385 4.077 ( -0.000 0.701 0.000) 0.701 4.091 ( 0.000 4.971 0.000) 4.971 4.151 ( 0.000 2.984 0.000) 2.984 4.296 ( -0.000 -0.887 0.000) 0.887 4.314 ( 0.000 0.712 0.000) 0.712 4.574 ( 0.000 1.468 0.000) 1.468 4.699 ( 0.000 0.381 0.000) 0.381 4.803 ( 0.000 1.510 0.000) 1.510 4.929 ( 0.000 2.008 0.000) 2.008 4.964 ( 0.000 -0.537 0.000) 0.537 5.022 ( 0.000 7.310 0.000) 7.310 5.161 ( -0.000 -0.144 0.000) 0.144 5.594 ( -0.000 3.487 0.000) 3.487 5.659 ( 0.000 -7.067 0.000) 7.067 5.821 ( 0.000 -4.910 0.000) 4.910 6.751 ( 0.000 2.407 0.000) 2.407 6.816 ( -0.000 0.204 0.000) 0.204 7.107 ( 0.000 1.597 0.000) 1.597 7.242 ( -0.000 8.893 0.000) 8.893 7.289 ( -0.000 -0.318 0.000) 0.318 7.375 ( 0.000 -1.847 0.000) 1.847 7.689 ( 0.000 -4.296 0.000) 4.296 7.722 ( 0.000 -4.003 0.000) 4.003 7.741 ( -0.000 -3.162 0.000) 3.162 7.811 ( 0.000 4.931 0.000) 4.931 7.898 ( -0.000 0.035 0.000) 0.035 8.053 ( 0.000 0.299 0.000) 0.299 8.407 ( 0.000 -0.085 0.000) 0.085 8.743 ( 0.000 -12.189 0.000) 12.189 8.783 ( -0.000 18.165 0.000) 18.165 8.784 ( 0.000 -5.727 0.000) 5.727 9.037 ( 0.000 -11.418 0.000) 11.418 9.247 ( 0.000 9.469 0.000) 9.469 9.458 ( 0.000 7.086 0.000) 7.086 9.972 ( 0.000 -4.271 0.000) 4.271 9.998 ( 0.000 0.901 0.000) 0.901 10.394 ( 0.000 -3.180 0.000) 3.180 10.420 ( -0.000 1.553 0.000) 1.553 10.577 ( 0.000 -26.086 0.000) 26.086 10.656 ( -0.000 -5.869 0.000) 5.869 10.712 ( 0.000 3.339 0.000) 3.339 10.892 ( 0.000 0.072 0.000) 0.072 10.953 ( 0.000 -25.419 0.000) 25.419 11.943 ( 0.000 9.015 0.000) 9.015 12.285 ( 0.000 12.656 0.000) 12.656 12.469 ( 0.000 -5.272 0.000) 5.272 13.193 ( 0.000 -12.901 0.000) 12.901 13.271 ( 0.000 20.010 0.000) 20.010 14.042 ( 0.000 19.531 0.000) 19.531 14.180 ( 0.000 -8.839 0.000) 8.839 14.971 ( -0.000 -8.925 0.000) 8.925 15.207 ( 0.000 0.992 0.000) 0.992 15.362 ( -0.000 -1.744 0.000) 1.744 15.831 ( -0.000 15.909 0.000) 15.909 16.366 ( 0.000 5.155 0.000) 5.155 16.537 ( 0.000 -1.140 0.000) 1.140 16.816 ( 0.000 -7.413 0.000) 7.413 17.040 ( 0.000 -2.645 0.000) 2.645 17.181 ( 0.000 -4.353 0.000) 4.353 24.433 ( -0.000 0.563 0.000) 0.563 24.561 ( 0.000 -2.448 0.000) 2.448 24.765 ( 0.000 5.453 0.000) 5.453 24.820 ( -0.000 -0.161 0.000) 0.161 24.896 ( -0.000 -1.996 0.000) 1.996 24.967 ( 0.000 -0.743 0.000) 0.743 25.551 ( 0.000 2.205 0.000) 2.205 25.555 ( -0.000 4.056 0.000) 4.056 26.969 ( 0.000 0.528 0.000) 0.528 27.170 ( 0.000 -5.911 0.000) 5.911 27.333 ( 0.000 -0.891 0.000) 0.891 27.455 ( 0.000 -3.559 0.000) 3.559 27.792 ( 0.000 9.298 0.000) 9.298 28.187 ( 0.000 -0.367 0.000) 0.367 28.224 ( 0.000 9.552 0.000) 9.552 29.083 ( 0.000 -16.056 0.000) 16.056 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 12.869 0.000) 12.869 1.626 ( 0.000 -4.325 0.000) 4.325 1.780 ( 0.000 24.111 0.000) 24.111 2.035 ( 0.000 4.627 0.000) 4.627 2.099 ( 0.000 -6.038 0.000) 6.038 2.241 ( 0.000 -13.871 0.000) 13.871 2.561 ( 0.000 8.985 0.000) 8.985 2.626 ( 0.000 22.099 0.000) 22.099 2.662 ( 0.000 0.583 0.000) 0.583 2.773 ( 0.000 15.871 0.000) 15.871 2.862 ( 0.000 2.253 0.000) 2.253 2.956 ( 0.000 -1.885 0.000) 1.885 2.977 ( 0.000 -3.339 0.000) 3.339 3.019 ( 0.000 -4.511 0.000) 4.511 3.033 ( 0.000 -8.737 0.000) 8.737 3.071 ( 0.000 -11.079 0.000) 11.079 3.193 ( 0.000 2.352 0.000) 2.352 3.304 ( 0.000 -8.385 0.000) 8.385 3.483 ( 0.000 -1.689 0.000) 1.689 3.534 ( 0.000 -4.837 0.000) 4.837 3.577 ( 0.000 24.610 0.000) 24.610 3.824 ( 0.000 0.703 0.000) 0.703 3.841 ( 0.000 -0.971 0.000) 0.971 3.974 ( 0.000 3.037 0.000) 3.037 4.030 ( 0.000 -6.196 0.000) 6.196 4.101 ( 0.000 2.678 0.000) 2.678 4.111 ( 0.000 -20.733 0.000) 20.733 4.140 ( 0.000 -1.032 0.000) 1.032 4.348 ( 0.000 11.193 0.000) 11.193 4.565 ( 0.000 -9.747 0.000) 9.747 4.911 ( 0.000 4.146 0.000) 4.146 4.938 ( 0.000 6.991 0.000) 6.991 4.994 ( 0.000 -3.421 0.000) 3.421 5.052 ( 0.000 -4.457 0.000) 4.457 5.072 ( 0.000 2.527 0.000) 2.527 5.118 ( 0.000 -1.629 0.000) 1.629 6.990 ( 0.000 2.499 0.000) 2.499 7.017 ( 0.000 -0.003 0.000) 0.003 7.230 ( 0.000 5.416 0.000) 5.416 7.343 ( 0.000 -5.429 0.000) 5.429 7.424 ( 0.000 2.650 0.000) 2.650 7.516 ( 0.000 -6.078 0.000) 6.078 7.868 ( 0.000 4.630 0.000) 4.630 7.879 ( 0.000 1.854 0.000) 1.854 7.912 ( 0.000 -0.597 0.000) 0.597 7.939 ( 0.000 -2.286 0.000) 2.286 8.118 ( 0.000 9.948 0.000) 9.948 8.352 ( 0.000 -12.356 0.000) 12.356 8.441 ( 0.000 3.984 0.000) 3.984 8.558 ( 0.000 -6.941 0.000) 6.941 8.649 ( 0.000 4.518 0.000) 4.518 8.792 ( 0.000 -9.693 0.000) 9.693 9.368 ( 0.000 21.778 0.000) 21.778 9.498 ( 0.000 15.315 0.000) 15.315 9.547 ( 0.000 3.678 0.000) 3.678 9.658 ( 0.000 -5.316 0.000) 5.316 9.777 ( 0.000 -9.741 0.000) 9.741 9.841 ( 0.000 -22.051 0.000) 22.051 10.569 ( 0.000 1.777 0.000) 1.777 10.638 ( 0.000 -4.651 0.000) 4.651 10.763 ( 0.000 1.325 0.000) 1.325 10.828 ( 0.000 -4.464 0.000) 4.464 10.956 ( 0.000 2.758 0.000) 2.758 11.090 ( 0.000 -8.744 0.000) 8.744 12.249 ( 0.000 13.703 0.000) 13.703 12.501 ( 0.000 -10.385 0.000) 10.385 13.157 ( 0.000 0.581 0.000) 0.581 13.164 ( 0.000 -0.290 0.000) 0.290 14.001 ( 0.000 16.780 0.000) 16.780 14.326 ( 0.000 -14.633 0.000) 14.633 14.826 ( 0.000 18.420 0.000) 18.420 15.040 ( 0.000 0.211 0.000) 0.211 15.054 ( 0.000 -1.425 0.000) 1.425 15.165 ( 0.000 -13.983 0.000) 13.983 15.683 ( 0.000 5.918 0.000) 5.918 15.820 ( 0.000 -6.896 0.000) 6.896 16.296 ( 0.000 2.438 0.000) 2.438 16.347 ( 0.000 -2.274 0.000) 2.274 16.768 ( 0.000 9.186 0.000) 9.186 16.938 ( 0.000 -7.032 0.000) 7.032 24.475 ( 0.000 2.688 0.000) 2.688 24.537 ( 0.000 -3.128 0.000) 3.128 24.763 ( 0.000 0.409 0.000) 0.409 24.783 ( 0.000 -1.421 0.000) 1.421 24.884 ( 0.000 5.140 0.000) 5.140 24.962 ( 0.000 -2.540 0.000) 2.540 26.012 ( 0.000 7.748 0.000) 7.748 26.171 ( 0.000 -7.237 0.000) 7.237 27.202 ( 0.000 -0.876 0.000) 0.876 27.209 ( 0.000 -1.700 0.000) 1.700 27.490 ( 0.000 1.431 0.000) 1.431 27.546 ( 0.000 -3.751 0.000) 3.751 27.772 ( 0.000 5.848 0.000) 5.848 27.847 ( 0.000 -1.122 0.000) 1.122 28.369 ( 0.000 9.548 0.000) 9.548 28.557 ( 0.000 -8.941 0.000) 8.941 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 4.825 11.519 0.000) 12.489 1.662 ( 3.219 -3.906 0.000) 5.061 1.851 ( 3.583 16.797 0.000) 17.175 1.985 ( -6.174 0.069 0.000) 6.174 2.075 ( 1.015 5.062 0.000) 5.163 2.325 ( 5.022 -13.442 0.000) 14.350 2.522 ( -2.604 7.896 0.000) 8.314 2.617 ( 0.044 22.137 0.000) 22.137 2.622 ( -3.200 0.858 0.000) 3.314 2.720 ( -2.994 11.382 0.000) 11.769 2.868 ( -4.489 -5.752 0.000) 7.297 2.946 ( 3.647 -7.205 0.000) 8.076 3.016 ( 2.709 -0.157 0.000) 2.714 3.091 ( 2.044 -6.757 0.000) 7.060 3.104 ( 7.094 -0.977 0.000) 7.161 3.188 ( 10.723 -6.045 0.000) 12.310 3.256 ( 5.627 1.181 0.000) 5.750 3.323 ( 3.333 -4.995 0.000) 6.005 3.521 ( 3.861 1.667 0.000) 4.206 3.631 ( 7.860 -6.461 0.000) 10.175 3.710 ( 10.433 20.431 0.000) 22.941 3.809 ( 0.177 1.387 0.000) 1.398 3.845 ( 1.561 -2.269 0.000) 2.754 4.031 ( 4.798 -2.000 0.000) 5.198 4.119 ( 1.950 3.406 0.000) 3.924 4.131 ( 9.450 -2.945 0.000) 9.898 4.174 ( 2.596 -1.760 0.000) 3.136 4.282 ( 13.887 -13.676 0.000) 19.491 4.410 ( 6.456 10.182 0.000) 12.057 4.612 ( 4.741 -9.115 0.000) 10.274 4.907 ( -2.561 7.620 0.000) 8.039 4.918 ( 0.446 3.457 0.000) 3.485 4.962 ( -2.208 0.569 0.000) 2.280 5.041 ( -0.354 -5.069 0.000) 5.081 5.094 ( 2.520 0.940 0.000) 2.690 5.159 ( 3.476 -4.352 0.000) 5.570 6.930 ( -4.100 3.855 0.000) 5.628 6.984 ( -2.734 -1.197 0.000) 2.985 7.290 ( 3.970 4.250 0.000) 5.815 7.372 ( 1.935 -3.933 0.000) 4.384 7.412 ( -1.152 2.067 0.000) 2.366 7.476 ( -3.642 -3.612 0.000) 5.130 7.844 ( -3.162 2.753 0.000) 4.193 7.850 ( -2.312 2.465 0.000) 3.379 7.895 ( -4.262 -2.102 0.000) 4.752 7.901 ( -0.723 -1.406 0.000) 1.581 8.084 ( -2.859 7.676 0.000) 8.191 8.223 ( -7.121 -3.674 0.000) 8.013 8.432 ( -0.597 3.792 0.000) 3.839 8.560 ( -0.071 -8.307 0.000) 8.307 8.739 ( 4.677 -2.546 0.000) 5.325 8.818 ( 2.270 -8.346 0.000) 8.649 9.359 ( -0.945 22.522 0.000) 22.542 9.531 ( 2.424 15.299 0.000) 15.490 9.559 ( 1.299 5.716 0.000) 5.862 9.699 ( 3.314 -6.461 0.000) 7.261 9.809 ( 2.729 -9.100 0.000) 9.501 9.851 ( 0.857 -23.013 0.000) 23.029 10.534 ( -2.355 1.498 0.000) 2.791 10.625 ( -1.654 -8.151 0.000) 8.318 10.717 ( -4.164 1.157 0.000) 4.321 10.776 ( -4.816 -3.973 0.000) 6.243 10.935 ( -1.745 3.543 0.000) 3.949 11.059 ( -3.044 -7.680 0.000) 8.261 12.235 ( -1.277 13.178 0.000) 13.240 12.478 ( -2.077 -10.080 0.000) 10.291 13.041 ( -9.825 4.888 0.000) 10.973 13.122 ( -3.732 -3.017 0.000) 4.799 13.915 ( -6.956 16.399 0.000) 17.813 14.228 ( -7.655 -13.911 0.000) 15.878 14.722 ( -7.465 16.920 0.000) 18.493 15.039 ( -9.142 -13.600 0.000) 16.387 15.110 ( 5.553 0.613 0.000) 5.587 15.128 ( 5.319 -1.274 0.000) 5.469 15.878 ( 15.061 4.706 0.000) 15.779 15.982 ( 11.326 -5.006 0.000) 12.383 16.342 ( 3.601 1.014 0.000) 3.741 16.370 ( 2.770 -1.488 0.000) 3.145 16.791 ( 2.587 7.546 0.000) 7.977 16.941 ( 0.375 -6.599 0.000) 6.610 24.472 ( -0.257 2.620 0.000) 2.633 24.533 ( -0.358 -3.100 0.000) 3.120 24.771 ( 0.797 0.673 0.000) 1.043 24.796 ( 1.133 -1.700 0.000) 2.043 24.881 ( -0.210 5.030 0.000) 5.034 24.959 ( -0.323 -2.521 0.000) 2.542 25.947 ( -6.016 6.295 0.000) 8.707 26.056 ( -9.384 -3.597 0.000) 10.050 27.155 ( -3.652 0.157 0.000) 3.655 27.182 ( -2.495 -2.547 0.000) 3.565 27.475 ( -1.747 -0.095 0.000) 1.750 27.512 ( -2.744 -3.395 0.000) 4.365 27.814 ( 3.532 6.210 0.000) 7.144 27.900 ( 4.590 -1.796 0.000) 4.929 28.417 ( 3.373 7.759 0.000) 8.460 28.585 ( 2.785 -8.438 0.000) 8.886 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 6.819 8.391 0.000) 10.813 1.745 ( 4.236 -2.479 0.000) 4.908 1.814 ( -7.187 5.404 0.000) 8.992 1.869 ( -2.272 1.526 0.000) 2.737 2.122 ( 1.239 9.322 0.000) 9.404 2.324 ( -3.854 -7.819 0.000) 8.717 2.498 ( -1.124 5.142 0.000) 5.263 2.579 ( -0.282 1.268 0.000) 1.299 2.643 ( 2.585 21.519 0.000) 21.674 2.702 ( 1.402 10.440 0.000) 10.534 2.827 ( 0.572 -4.403 0.000) 4.440 2.981 ( 0.387 -9.555 0.000) 9.563 3.037 ( -0.255 -3.923 0.000) 3.931 3.117 ( 0.272 -10.374 0.000) 10.378 3.206 ( 1.742 3.053 0.000) 3.515 3.389 ( 5.746 -11.721 0.000) 13.054 3.391 ( 6.270 2.365 0.000) 6.701 3.444 ( 6.625 -2.525 0.000) 7.090 3.634 ( 5.467 4.615 0.000) 7.154 3.702 ( 0.422 -1.463 0.000) 1.523 3.902 ( 7.437 2.625 0.000) 7.887 3.930 ( 9.502 13.498 0.000) 16.507 3.998 ( 8.975 -5.635 0.000) 10.597 4.126 ( 3.908 -3.868 0.000) 5.499 4.201 ( 6.474 1.645 0.000) 6.680 4.231 ( 2.983 -1.161 0.000) 3.201 4.393 ( 13.353 5.033 0.000) 14.270 4.511 ( 7.420 -1.893 0.000) 7.658 4.669 ( 15.105 0.817 0.000) 15.127 4.772 ( 9.656 -6.570 0.000) 11.679 4.879 ( 1.989 11.121 0.000) 11.298 4.910 ( -0.258 3.968 0.000) 3.976 4.948 ( 1.166 0.408 0.000) 1.236 5.091 ( 6.520 -8.482 0.000) 10.698 5.202 ( 8.684 0.366 0.000) 8.691 5.277 ( 9.258 -6.396 0.000) 11.253 6.855 ( -2.896 4.187 0.000) 5.091 6.919 ( -3.307 -1.876 0.000) 3.802 7.346 ( 1.089 3.048 0.000) 3.236 7.370 ( -6.389 1.369 0.000) 6.534 7.373 ( -2.766 0.514 0.000) 2.814 7.392 ( -0.213 -2.038 0.000) 2.049 7.732 ( -5.934 -0.584 0.000) 5.963 7.770 ( -6.803 -3.813 0.000) 7.798 7.800 ( -2.225 4.084 0.000) 4.651 7.894 ( 0.002 -3.253 0.000) 3.253 8.028 ( -2.033 7.752 0.000) 8.014 8.140 ( -2.195 -1.285 0.000) 2.543 8.423 ( -0.297 3.034 0.000) 3.049 8.549 ( -0.921 -9.337 0.000) 9.382 8.786 ( 0.015 -3.479 0.000) 3.479 8.855 ( 0.284 -7.843 0.000) 7.849 9.329 ( -1.779 24.692 0.000) 24.756 9.569 ( 0.964 17.138 0.000) 17.165 9.596 ( 1.813 8.368 0.000) 8.562 9.770 ( 3.055 -8.213 0.000) 8.763 9.870 ( 0.845 -25.904 0.000) 25.918 9.873 ( 3.085 -8.631 0.000) 9.166 10.498 ( -1.002 -1.020 0.000) 1.430 10.576 ( -2.433 -11.421 0.000) 11.677 10.604 ( -6.109 0.848 0.000) 6.168 10.644 ( -7.202 -2.539 0.000) 7.637 10.892 ( -2.303 2.889 0.000) 3.695 10.970 ( -4.962 -4.741 0.000) 6.863 12.199 ( -1.958 11.891 0.000) 12.051 12.421 ( -3.160 -9.290 0.000) 9.812 12.819 ( -10.176 11.260 0.000) 15.177 13.027 ( -4.919 -8.876 0.000) 10.148 13.769 ( -6.076 16.351 0.000) 17.444 14.074 ( -6.182 -13.250 0.000) 14.622 14.573 ( -6.422 15.796 0.000) 17.052 14.868 ( -6.566 -12.594 0.000) 14.203 15.207 ( 2.981 1.158 0.000) 3.198 15.233 ( 4.353 -1.154 0.000) 4.503 16.122 ( 5.620 6.495 0.000) 8.589 16.219 ( 11.320 -3.252 0.000) 11.778 16.406 ( 3.055 2.988 0.000) 4.273 16.481 ( 6.593 -4.174 0.000) 7.803 16.890 ( 6.611 1.835 0.000) 6.861 16.958 ( 1.415 -4.405 0.000) 4.627 24.466 ( -0.323 2.395 0.000) 2.417 24.523 ( -0.565 -2.984 0.000) 3.037 24.793 ( 1.251 0.920 0.000) 1.553 24.823 ( 1.301 -1.916 0.000) 2.316 24.876 ( -0.285 4.741 0.000) 4.749 24.950 ( -0.477 -2.460 0.000) 2.506 25.782 ( -8.763 5.123 0.000) 10.151 25.852 ( -9.230 -1.364 0.000) 9.331 27.075 ( -3.585 1.256 0.000) 3.799 27.124 ( -2.741 -3.496 0.000) 4.442 27.417 ( -3.294 -0.118 0.000) 3.296 27.452 ( -2.837 -3.406 0.000) 4.433 27.896 ( 3.843 7.311 0.000) 8.259 28.009 ( 5.224 -3.280 0.000) 6.169 28.463 ( 0.829 8.679 0.000) 8.718 28.665 ( 4.103 -10.773 0.000) 11.528 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -3.851 7.290 0.000) 8.245 1.763 ( 5.066 5.121 0.000) 7.204 1.818 ( 2.382 -0.135 0.000) 2.386 1.825 ( -1.702 -4.792 0.000) 5.086 2.111 ( -1.490 6.097 0.000) 6.277 2.251 ( -2.533 -6.651 0.000) 7.117 2.473 ( -0.764 8.897 0.000) 8.930 2.581 ( 0.034 2.503 0.000) 2.503 2.724 ( 5.034 17.913 0.000) 18.606 2.740 ( 1.466 10.149 0.000) 10.254 2.872 ( 3.101 -4.350 0.000) 5.342 2.959 ( -2.864 -0.154 0.000) 2.868 3.027 ( -0.449 -4.133 0.000) 4.157 3.104 ( -1.380 -12.135 0.000) 12.213 3.201 ( -1.056 0.815 0.000) 1.334 3.438 ( 0.064 -15.165 0.000) 15.165 3.490 ( 3.194 3.046 0.000) 4.413 3.540 ( 2.187 -1.563 0.000) 2.688 3.719 ( 2.745 1.861 0.000) 3.316 3.749 ( 4.280 -0.889 0.000) 4.371 4.010 ( 1.787 3.504 0.000) 3.933 4.077 ( 0.156 -2.303 0.000) 2.308 4.088 ( 5.731 6.679 0.000) 8.801 4.187 ( 1.631 -1.885 0.000) 2.493 4.274 ( 1.913 1.609 0.000) 2.500 4.317 ( 1.461 -2.560 0.000) 2.947 4.592 ( 4.749 2.620 0.000) 5.424 4.630 ( 4.495 -0.291 0.000) 4.505 4.854 ( 0.241 1.891 0.000) 1.906 4.884 ( 4.910 -0.869 0.000) 4.986 4.963 ( 2.815 3.127 0.000) 4.207 5.040 ( 5.915 -3.657 0.000) 6.954 5.052 ( 12.465 12.625 0.000) 17.742 5.309 ( 11.975 -11.476 0.000) 16.586 5.466 ( 15.414 3.393 0.000) 15.782 5.568 ( 15.350 -5.731 0.000) 16.385 6.812 ( -1.252 2.888 0.000) 3.148 6.853 ( -2.764 -1.043 0.000) 2.954 7.232 ( -5.952 3.753 0.000) 7.036 7.297 ( -3.876 -2.070 0.000) 4.394 7.347 ( -0.416 1.846 0.000) 1.892 7.372 ( -1.352 -1.155 0.000) 1.778 7.643 ( -2.586 -1.988 0.000) 3.262 7.662 ( -3.144 -4.120 0.000) 5.183 7.760 ( -1.639 5.720 0.000) 5.950 7.884 ( -1.250 -4.262 0.000) 4.442 7.984 ( -2.275 7.225 0.000) 7.575 8.085 ( -3.198 -1.556 0.000) 3.556 8.417 ( -0.246 2.179 0.000) 2.193 8.528 ( -0.933 -8.890 0.000) 8.939 8.751 ( -2.862 -1.605 0.000) 3.281 8.833 ( -1.512 -8.209 0.000) 8.347 9.293 ( -1.481 26.977 0.000) 27.017 9.579 ( 0.272 19.483 0.000) 19.485 9.620 ( 0.484 8.975 0.000) 8.988 9.816 ( 1.215 -8.863 0.000) 8.946 9.889 ( 1.022 -29.202 0.000) 29.219 9.927 ( 1.857 -9.576 0.000) 9.754 10.491 ( -4.179 0.628 0.000) 4.226 10.491 ( 0.365 -4.503 0.000) 4.518 10.506 ( -5.251 -0.590 0.000) 5.284 10.539 ( -1.254 -11.182 0.000) 11.252 10.836 ( -2.894 2.415 0.000) 3.769 10.888 ( -2.245 -2.416 0.000) 3.298 12.162 ( -1.439 10.527 0.000) 10.625 12.360 ( -2.400 -8.383 0.000) 8.719 12.648 ( -5.820 14.538 0.000) 15.660 12.938 ( -3.251 -13.355 0.000) 13.745 13.678 ( -2.676 16.600 0.000) 16.814 13.983 ( -2.667 -12.952 0.000) 13.223 14.464 ( -3.857 16.481 0.000) 16.926 14.770 ( -3.013 -12.978 0.000) 13.323 15.241 ( 0.634 2.339 0.000) 2.423 15.295 ( 1.620 -2.546 0.000) 3.018 16.168 ( 0.240 13.295 0.000) 13.298 16.389 ( 4.801 -7.441 0.000) 8.855 16.467 ( 2.438 6.011 0.000) 6.487 16.604 ( 4.555 -7.064 0.000) 8.405 16.997 ( 1.956 -0.510 0.000) 2.021 17.027 ( 5.427 -3.006 0.000) 6.204 24.460 ( -0.180 2.053 0.000) 2.061 24.512 ( -0.455 -2.770 0.000) 2.808 24.817 ( 0.894 0.908 0.000) 1.274 24.846 ( 0.828 -1.850 0.000) 2.027 24.871 ( -0.197 4.422 0.000) 4.426 24.941 ( -0.353 -2.377 0.000) 2.403 25.633 ( -4.748 3.858 0.000) 6.117 25.685 ( -6.457 -1.012 0.000) 6.536 27.016 ( -1.972 1.922 0.000) 2.754 27.078 ( -1.537 -4.123 0.000) 4.400 27.357 ( -2.156 0.777 0.000) 2.292 27.401 ( -1.847 -3.294 0.000) 3.776 27.962 ( 2.273 8.391 0.000) 8.694 28.099 ( 3.140 -4.543 0.000) 5.523 28.464 ( -0.337 11.745 0.000) 11.749 28.732 ( 2.145 -14.084 0.000) 14.246 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.000 7.717 0.000) 7.717 1.806 ( 0.000 -6.896 0.000) 6.896 1.827 ( -0.000 2.636 0.000) 2.636 1.835 ( 0.000 2.223 0.000) 2.223 2.091 ( 0.000 5.227 0.000) 5.227 2.224 ( -0.000 -7.057 0.000) 7.057 2.466 ( 0.000 10.599 0.000) 10.599 2.580 ( 0.000 2.694 0.000) 2.694 2.755 ( -0.000 10.268 0.000) 10.268 2.817 ( -0.000 10.307 0.000) 10.307 2.888 ( 0.000 12.373 0.000) 12.373 2.915 ( 0.000 -4.428 0.000) 4.428 3.025 ( -0.000 -4.627 0.000) 4.627 3.079 ( 0.000 -11.541 0.000) 11.541 3.190 ( 0.000 -2.607 0.000) 2.607 3.432 ( 0.000 -16.511 0.000) 16.511 3.526 ( 0.000 2.430 0.000) 2.430 3.554 ( -0.000 -0.017 0.000) 0.017 3.754 ( 0.000 2.738 0.000) 2.738 3.811 ( -0.000 -2.979 0.000) 2.979 4.011 ( 0.000 3.745 0.000) 3.745 4.069 ( -0.000 -1.633 0.000) 1.633 4.163 ( 0.000 2.350 0.000) 2.350 4.189 ( -0.000 0.131 0.000) 0.131 4.299 ( -0.000 0.799 0.000) 0.799 4.315 ( 0.000 -0.544 0.000) 0.544 4.631 ( 0.000 3.218 0.000) 3.218 4.681 ( -0.000 -1.519 0.000) 1.519 4.857 ( 0.000 3.185 0.000) 3.185 4.926 ( 0.000 -2.983 0.000) 2.983 4.998 ( 0.000 4.567 0.000) 4.567 5.101 ( 0.000 -4.816 0.000) 4.816 5.215 ( 0.000 11.066 0.000) 11.066 5.457 ( 0.000 -11.678 0.000) 11.678 5.674 ( -0.000 4.001 0.000) 4.001 5.747 ( 0.000 -3.063 0.000) 3.063 6.800 ( -0.000 1.836 0.000) 1.836 6.819 ( 0.000 -0.130 0.000) 0.130 7.162 ( 0.000 3.893 0.000) 3.893 7.250 ( -0.000 -3.643 0.000) 3.643 7.347 ( -0.000 0.967 0.000) 0.967 7.350 ( 0.000 -0.455 0.000) 0.455 7.617 ( 0.000 -2.043 0.000) 2.043 7.631 ( -0.000 -3.909 0.000) 3.909 7.740 ( 0.000 5.858 0.000) 5.858 7.862 ( 0.000 -4.086 0.000) 4.086 7.955 ( 0.000 6.297 0.000) 6.297 8.039 ( 0.000 -1.950 0.000) 1.950 8.414 ( 0.000 1.865 0.000) 1.865 8.518 ( 0.000 -8.552 0.000) 8.552 8.711 ( 0.000 0.589 0.000) 0.589 8.816 ( 0.000 -8.896 0.000) 8.896 9.276 ( 0.000 27.872 0.000) 27.872 9.583 ( 0.000 20.197 0.000) 20.197 9.623 ( 0.000 8.461 0.000) 8.461 9.826 ( 0.000 -8.926 0.000) 8.926 9.902 ( 0.000 -30.262 0.000) 30.262 9.947 ( 0.000 -10.205 0.000) 10.205 10.447 ( 0.000 0.682 0.000) 0.682 10.447 ( -0.000 0.332 0.000) 0.332 10.509 ( -0.000 -10.482 0.000) 10.482 10.514 ( 0.000 -6.327 0.000) 6.327 10.801 ( 0.000 3.542 0.000) 3.542 10.867 ( 0.000 -2.487 0.000) 2.487 12.146 ( 0.000 9.913 0.000) 9.913 12.333 ( 0.000 -7.950 0.000) 7.950 12.586 ( 0.000 15.472 0.000) 15.472 12.902 ( 0.000 -14.952 0.000) 14.952 13.651 ( 0.000 16.700 0.000) 16.700 13.956 ( 0.000 -12.845 0.000) 12.845 14.422 ( 0.000 17.076 0.000) 17.076 14.739 ( 0.000 -13.459 0.000) 13.459 15.246 ( 0.000 2.707 0.000) 2.707 15.310 ( -0.000 -3.150 0.000) 3.150 16.167 ( 0.000 15.644 0.000) 15.644 16.435 ( 0.000 -9.374 0.000) 9.374 16.494 ( 0.000 7.170 0.000) 7.170 16.654 ( 0.000 -8.032 0.000) 8.032 17.021 ( 0.000 1.371 0.000) 1.371 17.087 ( 0.000 -4.400 0.000) 4.400 24.459 ( -0.000 1.864 0.000) 1.864 24.507 ( 0.000 -2.640 0.000) 2.640 24.827 ( 0.000 0.872 0.000) 0.872 24.855 ( 0.000 -1.805 0.000) 1.805 24.868 ( 0.000 4.282 0.000) 4.282 24.937 ( 0.000 -2.336 0.000) 2.336 25.593 ( 0.000 1.586 0.000) 1.586 25.605 ( -0.000 0.750 0.000) 0.750 26.995 ( 0.000 2.148 0.000) 2.148 27.062 ( 0.000 -4.336 0.000) 4.336 27.334 ( 0.000 1.161 0.000) 1.161 27.381 ( 0.000 -3.229 0.000) 3.229 27.986 ( 0.000 8.814 0.000) 8.814 28.133 ( 0.000 -5.014 0.000) 5.014 28.460 ( 0.000 13.041 0.000) 13.041 28.754 ( 0.000 -15.332 0.000) 15.332 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 0.000 0.000 28.049) 28.049 0.532 ( 0.000 0.000 27.845) 27.845 1.005 ( 0.000 0.000 49.086) 49.086 1.595 ( 0.000 0.000 -2.146) 2.146 1.663 ( 0.000 0.000 5.268) 5.268 1.820 ( 0.000 0.000 -7.970) 7.970 1.845 ( 0.000 0.000 -1.421) 1.421 2.029 ( 0.000 0.000 -2.021) 2.021 2.059 ( 0.000 0.000 -11.646) 11.646 2.670 ( 0.000 0.000 5.236) 5.236 2.907 ( 0.000 0.000 0.261) 0.261 2.932 ( 0.000 0.000 -1.830) 1.830 2.980 ( 0.000 0.000 -4.133) 4.133 3.122 ( 0.000 0.000 -5.539) 5.539 3.177 ( 0.000 0.000 -6.343) 6.343 3.380 ( 0.000 0.000 5.925) 5.925 3.402 ( 0.000 0.000 -11.069) 11.069 3.421 ( 0.000 0.000 7.082) 7.082 3.735 ( 0.000 0.000 -3.613) 3.613 3.750 ( 0.000 0.000 13.326) 13.326 3.791 ( 0.000 0.000 -3.374) 3.374 3.862 ( 0.000 0.000 1.556) 1.556 3.907 ( 0.000 0.000 -5.048) 5.048 3.951 ( 0.000 0.000 -4.343) 4.343 3.952 ( 0.000 0.000 -0.217) 0.217 4.146 ( 0.000 0.000 4.706) 4.706 4.271 ( 0.000 0.000 5.428) 5.428 4.473 ( 0.000 0.000 -3.628) 3.628 4.731 ( 0.000 0.000 0.484) 0.484 4.774 ( 0.000 0.000 -1.597) 1.597 4.793 ( 0.000 0.000 3.490) 3.490 4.949 ( 0.000 0.000 2.179) 2.179 4.996 ( 0.000 0.000 1.399) 1.399 5.041 ( 0.000 0.000 0.479) 0.479 5.085 ( 0.000 0.000 -4.950) 4.950 5.241 ( 0.000 0.000 -8.596) 8.596 6.850 ( 0.000 0.000 2.528) 2.528 6.966 ( 0.000 0.000 8.429) 8.429 7.075 ( 0.000 0.000 -2.896) 2.896 7.101 ( 0.000 0.000 3.960) 3.960 7.399 ( 0.000 0.000 -3.268) 3.268 7.533 ( 0.000 0.000 -6.809) 6.809 7.782 ( 0.000 0.000 1.753) 1.753 7.782 ( 0.000 0.000 1.206) 1.206 7.865 ( 0.000 0.000 -0.367) 0.367 7.955 ( 0.000 0.000 -1.970) 1.970 8.123 ( 0.000 0.000 6.713) 6.713 8.398 ( 0.000 0.000 1.972) 1.972 8.510 ( 0.000 0.000 -3.427) 3.427 8.547 ( 0.000 0.000 -2.235) 2.235 8.673 ( 0.000 0.000 4.921) 4.921 8.955 ( 0.000 0.000 -2.400) 2.400 9.001 ( 0.000 0.000 4.877) 4.877 9.508 ( 0.000 0.000 -7.410) 7.410 9.528 ( 0.000 0.000 0.822) 0.822 9.578 ( 0.000 0.000 -0.505) 0.505 9.895 ( 0.000 0.000 3.996) 3.996 10.430 ( 0.000 0.000 -9.595) 9.595 10.578 ( 0.000 0.000 0.432) 0.432 10.587 ( 0.000 0.000 0.066) 0.066 11.093 ( 0.000 0.000 2.759) 2.759 11.111 ( 0.000 0.000 6.086) 6.086 11.324 ( 0.000 0.000 -2.875) 2.875 11.470 ( 0.000 0.000 -3.422) 3.422 12.601 ( 0.000 0.000 -0.205) 0.205 12.608 ( 0.000 0.000 -0.455) 0.455 12.825 ( 0.000 0.000 2.949) 2.949 13.061 ( 0.000 0.000 -2.811) 2.811 13.219 ( 0.000 0.000 6.463) 6.463 13.704 ( 0.000 0.000 -5.553) 5.553 14.890 ( 0.000 0.000 4.860) 4.860 15.078 ( 0.000 0.000 4.942) 4.942 15.300 ( 0.000 0.000 -4.783) 4.783 15.608 ( 0.000 0.000 -10.689) 10.689 15.935 ( 0.000 0.000 0.214) 0.214 16.012 ( 0.000 0.000 -1.675) 1.675 16.252 ( 0.000 0.000 1.699) 1.699 16.314 ( 0.000 0.000 0.164) 0.164 16.527 ( 0.000 0.000 10.772) 10.772 17.086 ( 0.000 0.000 -5.103) 5.103 24.443 ( 0.000 0.000 3.477) 3.477 24.661 ( 0.000 0.000 0.483) 0.483 24.760 ( 0.000 0.000 -5.512) 5.512 24.801 ( 0.000 0.000 -4.038) 4.038 25.091 ( 0.000 0.000 8.287) 8.287 25.168 ( 0.000 0.000 4.699) 4.699 25.364 ( 0.000 0.000 -1.186) 1.186 25.645 ( 0.000 0.000 -6.590) 6.590 27.393 ( 0.000 0.000 3.105) 3.105 27.540 ( 0.000 0.000 1.533) 1.533 27.573 ( 0.000 0.000 0.197) 0.197 27.670 ( 0.000 0.000 0.374) 0.374 27.691 ( 0.000 0.000 -4.687) 4.687 27.760 ( 0.000 0.000 -1.417) 1.417 28.329 ( 0.000 0.000 5.042) 5.042 28.656 ( 0.000 0.000 -3.465) 3.465 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 21.215 0.000 17.476) 27.486 0.850 ( 17.189 0.000 20.253) 26.564 1.393 ( 28.121 0.000 20.827) 34.994 1.488 ( -1.671 0.000 15.452) 15.542 1.692 ( -8.221 0.000 -5.187) 9.721 1.706 ( 4.931 0.000 5.354) 7.279 1.933 ( 3.576 0.000 -1.694) 3.957 2.040 ( -1.142 0.000 -7.359) 7.448 2.065 ( 4.911 0.000 -1.268) 5.072 2.769 ( 5.969 0.000 -2.101) 6.328 2.907 ( -0.582 0.000 1.335) 1.457 2.912 ( 2.769 0.000 -1.885) 3.350 3.058 ( -0.439 0.000 -8.261) 8.272 3.184 ( 5.565 0.000 -3.104) 6.372 3.251 ( 7.279 0.000 -5.172) 8.929 3.340 ( -1.593 0.000 7.231) 7.404 3.394 ( 5.467 0.000 -4.793) 7.271 3.601 ( 9.685 0.000 -4.042) 10.495 3.687 ( -2.742 0.000 6.079) 6.669 3.770 ( 2.931 0.000 -0.614) 2.995 3.791 ( 0.936 0.000 -2.854) 3.004 3.886 ( 2.091 0.000 7.317) 7.610 3.905 ( -0.702 0.000 -3.090) 3.169 3.945 ( 0.289 0.000 -2.544) 2.560 4.174 ( 13.163 0.000 1.277) 13.225 4.208 ( 7.669 0.000 2.355) 8.022 4.238 ( -16.984 0.000 20.072) 26.294 4.404 ( 10.456 0.000 3.934) 11.171 4.511 ( -1.652 0.000 2.388) 2.904 4.708 ( -1.597 0.000 0.524) 1.681 4.799 ( 1.040 0.000 -0.588) 1.195 4.810 ( 0.765 0.000 1.032) 1.284 5.018 ( 1.962 0.000 1.466) 2.449 5.086 ( 1.072 0.000 -4.495) 4.621 5.149 ( -5.935 0.000 -7.849) 9.840 5.400 ( 9.568 0.000 -12.459) 15.709 6.750 ( -5.646 0.000 5.405) 7.816 6.966 ( -0.371 0.000 8.506) 8.515 7.048 ( -1.993 0.000 -3.364) 3.910 7.135 ( 1.786 0.000 3.463) 3.896 7.389 ( -1.103 0.000 -3.121) 3.310 7.546 ( 0.893 0.000 -6.718) 6.778 7.715 ( -5.705 0.000 6.890) 8.945 7.769 ( -0.728 0.000 0.402) 0.832 7.905 ( -8.540 0.000 9.243) 12.584 7.908 ( 2.924 0.000 -0.263) 2.936 7.973 ( 1.511 0.000 -1.352) 2.027 8.048 ( -5.492 0.000 2.839) 6.182 8.514 ( 8.466 0.000 7.265) 11.156 8.540 ( -6.376 0.000 6.444) 9.065 8.893 ( 7.754 0.000 3.107) 8.353 8.904 ( -4.184 0.000 -2.765) 5.015 9.460 ( -1.479 0.000 -4.299) 4.546 9.541 ( -1.067 0.000 -2.488) 2.707 9.579 ( 3.771 0.000 -4.852) 6.145 9.811 ( 20.407 0.000 -29.220) 35.640 9.920 ( 3.672 0.000 1.190) 3.860 10.433 ( 0.729 0.000 -8.964) 8.994 10.537 ( -3.559 0.000 0.759) 3.639 10.566 ( -1.346 0.000 -0.578) 1.465 11.036 ( -7.035 0.000 5.662) 9.031 11.127 ( 2.974 0.000 3.503) 4.595 11.376 ( 4.170 0.000 -3.163) 5.234 11.388 ( -7.339 0.000 -3.832) 8.280 12.162 ( -20.308 0.000 18.493) 27.467 12.485 ( -8.857 0.000 -1.763) 9.030 12.854 ( -1.867 0.000 7.581) 7.807 13.097 ( -8.324 0.000 4.984) 9.702 13.181 ( 6.653 0.000 -2.078) 6.970 13.601 ( -5.245 0.000 -9.200) 10.590 14.797 ( -9.023 0.000 5.366) 10.498 15.127 ( 6.273 0.000 5.884) 8.600 15.293 ( -1.508 0.000 1.972) 2.483 15.426 ( -12.193 0.000 -3.812) 12.775 15.866 ( -6.361 0.000 0.201) 6.364 16.146 ( 5.634 0.000 -15.039) 16.060 16.420 ( 13.669 0.000 1.973) 13.811 16.540 ( 2.255 0.000 7.826) 8.144 16.578 ( 16.536 0.000 -0.525) 16.544 17.087 ( -0.042 0.000 -5.002) 5.002 24.444 ( 0.108 0.000 3.369) 3.371 24.659 ( -0.231 0.000 0.597) 0.641 24.719 ( -4.946 0.000 5.271) 7.228 24.753 ( -1.329 0.000 -5.676) 5.830 24.965 ( -4.043 0.000 9.356) 10.193 25.105 ( -0.454 0.000 9.053) 9.065 25.332 ( -2.401 0.000 -1.916) 3.071 25.654 ( 0.277 0.000 -6.407) 6.413 27.246 ( -8.049 0.000 1.931) 8.277 27.374 ( -6.216 0.000 0.198) 6.219 27.555 ( -2.051 0.000 0.063) 2.052 27.631 ( -0.561 0.000 -1.374) 1.484 27.755 ( 10.996 0.000 5.184) 12.157 27.798 ( -3.344 0.000 9.173) 9.763 28.544 ( -9.787 0.000 -2.715) 10.157 28.907 ( 21.730 0.000 -27.927) 35.385 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 10.728 0.000 8.476) 13.673 1.263 ( 18.767 0.000 7.387) 20.169 1.461 ( 4.168 0.000 15.882) 16.420 1.533 ( -3.373 0.000 -0.957) 3.506 1.773 ( 7.926 0.000 1.189) 8.015 1.952 ( -0.778 0.000 -1.391) 1.594 1.983 ( 12.376 0.000 2.338) 12.595 2.073 ( 3.831 0.000 -1.941) 4.295 2.254 ( 11.495 0.000 7.648) 13.807 2.648 ( -9.745 0.000 1.740) 9.899 2.976 ( -7.645 0.000 -4.415) 8.828 3.040 ( 9.853 0.000 3.373) 10.414 3.061 ( 1.315 0.000 -10.889) 10.969 3.195 ( -3.920 0.000 1.293) 4.128 3.283 ( 6.595 0.000 -0.201) 6.598 3.564 ( 14.327 0.000 -1.951) 14.459 3.582 ( 9.381 0.000 6.345) 11.326 3.666 ( 1.056 0.000 4.610) 4.729 3.774 ( 5.967 0.000 -9.382) 11.119 3.816 ( 0.152 0.000 0.148) 0.212 3.824 ( 1.684 0.000 -2.451) 2.974 3.898 ( 0.129 0.000 -1.038) 1.046 3.912 ( 2.137 0.000 8.636) 8.897 4.046 ( -1.930 0.000 5.994) 6.297 4.058 ( 14.095 0.000 -4.053) 14.666 4.433 ( 12.073 0.000 4.347) 12.831 4.462 ( 9.498 0.000 3.550) 10.140 4.511 ( 1.045 0.000 4.904) 5.014 4.525 ( -3.631 0.000 -0.953) 3.754 4.691 ( 0.962 0.000 -0.894) 1.313 4.834 ( 1.952 0.000 -0.880) 2.141 4.835 ( 2.882 0.000 -1.654) 3.323 5.068 ( 2.432 0.000 2.233) 3.302 5.169 ( 7.623 0.000 -5.553) 9.431 5.185 ( 12.083 0.000 -5.101) 13.116 5.586 ( 9.798 0.000 -11.794) 15.333 6.679 ( -0.844 0.000 5.466) 5.531 6.949 ( -1.179 0.000 8.335) 8.418 7.017 ( -0.575 0.000 -3.755) 3.798 7.139 ( -1.736 0.000 3.163) 3.608 7.348 ( -2.794 0.000 -3.063) 4.146 7.557 ( 0.040 0.000 -6.801) 6.801 7.613 ( -4.087 0.000 7.222) 8.298 7.756 ( -0.534 0.000 -0.737) 0.910 7.825 ( -1.907 0.000 1.905) 2.696 7.912 ( -4.406 0.000 -0.077) 4.407 7.975 ( 0.441 0.000 0.548) 0.703 8.008 ( 1.572 0.000 -0.741) 1.738 8.429 ( -4.036 0.000 6.042) 7.266 8.665 ( 4.944 0.000 9.815) 10.990 8.811 ( -4.154 0.000 -3.235) 5.265 9.039 ( 6.213 0.000 4.370) 7.596 9.387 ( -4.296 0.000 -1.924) 4.707 9.466 ( -5.413 0.000 0.370) 5.426 9.704 ( 6.815 0.000 -7.275) 9.969 9.894 ( -6.063 0.000 -12.606) 13.988 9.960 ( -1.394 0.000 0.337) 1.434 10.449 ( -3.047 0.000 -0.143) 3.051 10.477 ( 2.216 0.000 -6.608) 6.970 10.558 ( 0.398 0.000 -3.322) 3.346 10.833 ( -11.656 0.000 4.800) 12.606 11.152 ( -7.014 0.000 -2.971) 7.617 11.247 ( 0.830 0.000 2.881) 2.999 11.458 ( 2.954 0.000 -2.675) 3.985 11.922 ( -4.619 0.000 10.938) 11.873 12.321 ( -6.009 0.000 -3.560) 6.984 12.784 ( -4.079 0.000 8.651) 9.565 12.881 ( -10.178 0.000 6.132) 11.883 13.322 ( 5.405 0.000 -4.960) 7.336 13.486 ( -6.123 0.000 -9.877) 11.621 14.597 ( -8.636 0.000 5.480) 10.228 15.174 ( -7.927 0.000 -9.992) 12.754 15.287 ( -2.017 0.000 8.107) 8.354 15.293 ( 8.162 0.000 8.025) 11.446 15.696 ( -9.133 0.000 0.357) 9.140 16.229 ( 2.731 0.000 -11.238) 11.565 16.540 ( -0.410 0.000 9.190) 9.199 16.720 ( 13.526 0.000 2.493) 13.753 16.932 ( 14.910 0.000 -2.768) 15.165 17.081 ( -0.510 0.000 -4.954) 4.981 24.447 ( 0.205 0.000 2.977) 2.984 24.653 ( -0.303 0.000 1.187) 1.225 24.664 ( -0.444 0.000 6.427) 6.443 24.735 ( -0.536 0.000 -5.336) 5.363 24.939 ( -0.227 0.000 1.894) 1.907 25.097 ( -0.374 0.000 8.729) 8.737 25.291 ( -1.126 0.000 -3.083) 3.282 25.632 ( -2.761 0.000 -6.326) 6.902 27.106 ( -5.326 0.000 2.057) 5.709 27.313 ( -1.236 0.000 -3.945) 4.134 27.487 ( -4.333 0.000 -0.477) 4.360 27.591 ( -2.575 0.000 -1.622) 3.043 27.722 ( -3.089 0.000 9.862) 10.335 27.981 ( 9.128 0.000 5.210) 10.510 28.312 ( -10.566 0.000 0.742) 10.592 29.191 ( 8.583 0.000 -20.051) 21.811 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 1.280 0.000 2.494) 2.803 1.339 ( -2.390 0.000 -0.800) 2.520 1.619 ( 7.711 0.000 13.125) 15.222 1.775 ( 15.656 0.000 5.071) 16.457 1.947 ( 0.663 0.000 0.609) 0.900 1.975 ( 12.115 0.000 2.474) 12.365 2.127 ( 3.707 0.000 -2.411) 4.422 2.164 ( 4.956 0.000 -2.236) 5.437 2.374 ( -0.083 0.000 4.634) 4.634 2.481 ( -4.546 0.000 3.137) 5.523 2.746 ( -12.270 0.000 8.268) 14.795 2.888 ( -14.080 0.000 -3.204) 14.440 3.174 ( 0.868 0.000 -7.148) 7.201 3.248 ( 7.270 0.000 4.232) 8.412 3.447 ( 6.918 0.000 -7.277) 10.040 3.671 ( 1.114 0.000 4.614) 4.746 3.694 ( 1.891 0.000 2.497) 3.133 3.762 ( 1.720 0.000 -3.505) 3.904 3.823 ( -1.217 0.000 -5.684) 5.813 3.836 ( 0.993 0.000 9.377) 9.429 3.848 ( 1.525 0.000 -0.260) 1.547 3.954 ( 4.933 0.000 -0.581) 4.967 4.036 ( -0.035 0.000 1.319) 1.320 4.072 ( 12.327 0.000 -0.844) 12.356 4.311 ( -3.367 0.000 -4.647) 5.739 4.458 ( 5.990 0.000 -6.656) 8.954 4.514 ( -1.596 0.000 8.194) 8.348 4.613 ( 7.251 0.000 6.724) 9.889 4.681 ( 11.690 0.000 3.728) 12.270 4.780 ( 9.156 0.000 1.078) 9.220 4.865 ( 0.824 0.000 -0.747) 1.112 4.878 ( 0.640 0.000 -1.109) 1.281 5.107 ( 1.141 0.000 2.943) 3.156 5.354 ( 8.071 0.000 -6.137) 10.140 5.513 ( 14.197 0.000 -5.929) 15.385 5.804 ( 9.332 0.000 -12.067) 15.254 6.712 ( 3.490 0.000 5.283) 6.332 6.918 ( -1.928 0.000 7.354) 7.602 7.029 ( 1.466 0.000 -3.350) 3.657 7.074 ( -3.672 0.000 3.735) 5.238 7.279 ( -3.495 0.000 -3.302) 4.808 7.542 ( -2.579 0.000 6.489) 6.983 7.549 ( -0.648 0.000 -7.149) 7.178 7.753 ( 0.451 0.000 -1.644) 1.705 7.813 ( 1.177 0.000 0.652) 1.346 7.835 ( -2.079 0.000 0.335) 2.105 7.962 ( -2.265 0.000 1.367) 2.646 8.025 ( -0.186 0.000 -0.661) 0.686 8.369 ( -1.854 0.000 5.101) 5.428 8.701 ( -1.559 0.000 2.404) 2.866 8.762 ( 0.156 0.000 2.288) 2.293 9.147 ( 4.092 0.000 5.553) 6.898 9.313 ( -2.033 0.000 -1.500) 2.526 9.329 ( -6.745 0.000 1.142) 6.841 9.616 ( -15.574 0.000 -8.953) 17.964 9.842 ( 5.875 0.000 -9.156) 10.879 9.976 ( 0.995 0.000 5.282) 5.375 10.403 ( -0.734 0.000 2.448) 2.556 10.535 ( 2.299 0.000 -7.933) 8.259 10.564 ( 0.094 0.000 -3.159) 3.161 10.592 ( -10.286 0.000 4.219) 11.118 10.961 ( -7.771 0.000 -4.509) 8.984 11.325 ( 3.725 0.000 3.582) 5.167 11.491 ( 0.435 0.000 -1.114) 1.196 11.889 ( 0.112 0.000 5.385) 5.386 12.242 ( -1.883 0.000 -4.521) 4.897 12.708 ( -2.791 0.000 9.292) 9.702 12.716 ( -5.284 0.000 7.172) 8.908 13.360 ( -5.189 0.000 -8.904) 10.306 13.395 ( 1.771 0.000 -7.651) 7.854 14.463 ( -4.178 0.000 5.583) 6.973 15.061 ( -3.004 0.000 -10.587) 11.005 15.255 ( -1.116 0.000 5.097) 5.218 15.426 ( 3.672 0.000 6.372) 7.355 15.530 ( -5.370 0.000 3.904) 6.640 16.264 ( 0.721 0.000 -5.564) 5.611 16.537 ( 0.089 0.000 6.523) 6.524 16.945 ( 7.527 0.000 2.777) 8.023 17.068 ( -0.615 0.000 -5.064) 5.101 17.173 ( 7.953 0.000 -2.792) 8.429 24.451 ( 0.183 0.000 2.335) 2.342 24.647 ( -0.234 0.000 2.214) 2.227 24.673 ( 0.760 0.000 6.004) 6.052 24.730 ( -0.018 0.000 -6.293) 6.293 24.935 ( -0.211 0.000 -0.450) 0.497 25.090 ( -0.262 0.000 8.498) 8.502 25.297 ( 1.781 0.000 -4.607) 4.940 25.543 ( -5.251 0.000 -5.372) 7.512 27.023 ( -2.679 0.000 2.566) 3.710 27.296 ( -0.644 0.000 -5.802) 5.838 27.398 ( -3.435 0.000 0.809) 3.529 27.539 ( -2.056 0.000 -1.973) 2.850 27.679 ( -1.213 0.000 8.507) 8.593 28.048 ( -3.224 0.000 -3.018) 4.416 28.216 ( 2.243 0.000 11.676) 11.890 29.317 ( 3.845 0.000 -16.275) 16.723 ======================= Grid point 67 (25/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.000 0.000 2.526) 2.526 1.315 ( 0.000 0.000 -0.324) 0.324 1.702 ( 0.000 0.000 10.063) 10.063 1.928 ( -0.000 0.000 2.786) 2.786 1.971 ( 0.000 0.000 2.135) 2.135 2.161 ( 0.000 0.000 -2.726) 2.726 2.234 ( -0.000 0.000 5.438) 5.438 2.238 ( 0.000 0.000 -1.703) 1.703 2.267 ( 0.000 0.000 -3.449) 3.449 2.557 ( -0.000 0.000 -2.884) 2.884 2.586 ( 0.000 0.000 5.066) 5.066 2.589 ( 0.000 0.000 16.553) 16.553 3.188 ( 0.000 0.000 -7.290) 7.290 3.320 ( 0.000 0.000 1.380) 1.380 3.530 ( 0.000 0.000 -6.160) 6.160 3.682 ( 0.000 0.000 5.784) 5.784 3.703 ( 0.000 0.000 -4.376) 4.376 3.781 ( 0.000 0.000 -5.952) 5.952 3.803 ( 0.000 0.000 -3.155) 3.155 3.834 ( 0.000 0.000 7.669) 7.669 3.866 ( 0.000 0.000 0.235) 0.235 4.029 ( 0.000 0.000 0.462) 0.462 4.035 ( 0.000 0.000 0.426) 0.426 4.222 ( 0.000 0.000 -4.592) 4.592 4.227 ( 0.000 0.000 2.432) 2.432 4.479 ( 0.000 0.000 7.872) 7.872 4.518 ( 0.000 0.000 -3.114) 3.114 4.721 ( 0.000 0.000 9.254) 9.254 4.835 ( 0.000 0.000 -1.433) 1.433 4.847 ( -0.000 0.000 -4.113) 4.113 4.867 ( 0.000 0.000 -1.123) 1.123 4.960 ( 0.000 0.000 6.106) 6.106 5.114 ( 0.000 0.000 2.693) 2.693 5.449 ( 0.000 0.000 -6.600) 6.600 5.665 ( 0.000 0.000 -6.998) 6.998 5.905 ( 0.000 0.000 -12.078) 12.078 6.774 ( 0.000 0.000 4.684) 4.684 6.879 ( 0.000 0.000 6.745) 6.745 7.029 ( 0.000 0.000 4.634) 4.634 7.053 ( 0.000 0.000 -2.872) 2.872 7.233 ( 0.000 0.000 -3.599) 3.599 7.513 ( 0.000 0.000 6.471) 6.471 7.541 ( 0.000 0.000 -7.365) 7.365 7.763 ( 0.000 0.000 -3.078) 3.078 7.828 ( 0.000 0.000 1.074) 1.074 7.848 ( 0.000 0.000 0.143) 0.143 7.914 ( 0.000 0.000 3.168) 3.168 8.010 ( 0.000 0.000 -0.417) 0.417 8.349 ( 0.000 0.000 4.382) 4.382 8.673 ( 0.000 0.000 -1.870) 1.870 8.771 ( 0.000 0.000 4.933) 4.933 9.198 ( 0.000 0.000 7.762) 7.762 9.246 ( 0.000 0.000 1.218) 1.218 9.322 ( 0.000 0.000 -0.631) 0.631 9.391 ( 0.000 0.000 -9.198) 9.198 9.912 ( 0.000 0.000 -10.144) 10.144 9.987 ( 0.000 0.000 5.346) 5.346 10.409 ( 0.000 0.000 2.026) 2.026 10.462 ( -0.000 0.000 4.781) 4.781 10.559 ( 0.000 0.000 -7.640) 7.640 10.565 ( 0.000 0.000 -2.851) 2.851 10.875 ( 0.000 0.000 -4.452) 4.452 11.367 ( 0.000 0.000 2.879) 2.879 11.492 ( 0.000 0.000 -0.240) 0.240 11.894 ( 0.000 0.000 4.070) 4.070 12.225 ( 0.000 0.000 -4.742) 4.742 12.662 ( 0.000 0.000 7.793) 7.793 12.678 ( 0.000 0.000 10.075) 10.075 13.301 ( 0.000 0.000 -8.928) 8.928 13.410 ( 0.000 0.000 -9.061) 9.061 14.420 ( 0.000 0.000 5.668) 5.668 15.033 ( 0.000 0.000 -10.932) 10.932 15.243 ( 0.000 0.000 3.914) 3.914 15.429 ( 0.000 0.000 -1.243) 1.243 15.507 ( 0.000 0.000 12.302) 12.302 16.269 ( 0.000 0.000 -2.994) 2.994 16.539 ( 0.000 0.000 4.994) 4.994 17.024 ( 0.000 0.000 2.919) 2.919 17.061 ( 0.000 0.000 -5.197) 5.197 17.257 ( 0.000 0.000 -2.822) 2.822 24.454 ( 0.000 0.000 1.972) 1.972 24.644 ( 0.000 0.000 2.765) 2.765 24.683 ( 0.000 0.000 6.413) 6.413 24.731 ( 0.000 0.000 -7.275) 7.275 24.932 ( 0.000 0.000 -1.017) 1.017 25.087 ( 0.000 0.000 8.400) 8.400 25.337 ( 0.000 0.000 -6.674) 6.674 25.463 ( 0.000 0.000 -3.327) 3.327 26.994 ( 0.000 0.000 2.759) 2.759 27.287 ( 0.000 0.000 -6.640) 6.640 27.362 ( 0.000 0.000 1.745) 1.745 27.516 ( 0.000 0.000 -2.115) 2.115 27.667 ( 0.000 0.000 7.839) 7.839 28.001 ( 0.000 0.000 -2.517) 2.517 28.254 ( 0.000 0.000 12.108) 12.108 29.357 ( 0.000 0.000 -15.338) 15.338 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 22.555 17.622) 28.623 0.917 ( 0.000 19.462 23.719) 30.682 1.358 ( 0.000 31.364 19.202) 36.775 1.669 ( 0.000 0.521 4.158) 4.191 1.690 ( 0.000 19.165 8.912) 21.136 1.862 ( 0.000 3.152 -5.746) 6.554 2.077 ( 0.000 9.806 -8.371) 12.893 2.087 ( 0.000 3.394 -13.547) 13.966 2.146 ( 0.000 11.155 -1.412) 11.244 2.700 ( 0.000 2.758 4.211) 5.034 2.854 ( 0.000 -1.537 -1.693) 2.287 2.945 ( 0.000 -2.800 -0.174) 2.806 2.972 ( 0.000 -0.738 -3.805) 3.876 3.068 ( 0.000 -2.198 -6.310) 6.682 3.182 ( 0.000 -1.934 -6.869) 7.136 3.356 ( 0.000 -2.372 6.048) 6.496 3.386 ( 0.000 -3.395 7.378) 8.122 3.406 ( 0.000 -0.679 -1.725) 1.854 3.695 ( 0.000 -8.198 -2.965) 8.718 3.759 ( 0.000 4.617 -4.934) 6.757 3.791 ( 0.000 1.454 9.885) 9.992 3.808 ( 0.000 -5.596 -0.143) 5.598 3.891 ( 0.000 -1.260 -2.991) 3.245 3.913 ( 0.000 -3.020 -1.726) 3.479 3.968 ( 0.000 1.952 -1.609) 2.530 4.149 ( 0.000 -0.186 3.615) 3.620 4.207 ( 0.000 -11.841 15.969) 19.880 4.278 ( 0.000 -8.398 13.228) 15.669 4.536 ( 0.000 5.377 -5.533) 7.716 4.727 ( 0.000 -5.813 3.219) 6.645 4.796 ( 0.000 0.790 -0.853) 1.162 4.919 ( 0.000 -6.737 -1.843) 6.984 4.977 ( 0.000 1.182 -1.148) 1.647 5.069 ( 0.000 1.188 1.366) 1.810 5.104 ( 0.000 2.033 -0.618) 2.125 5.176 ( 0.000 -5.119 -8.402) 9.839 6.885 ( 0.000 5.797 7.228) 9.266 6.992 ( 0.000 2.285 7.488) 7.829 7.115 ( 0.000 1.473 3.951) 4.217 7.385 ( 0.000 10.623 -9.914) 14.531 7.400 ( 0.000 -0.509 -2.906) 2.950 7.563 ( 0.000 3.560 -6.683) 7.573 7.776 ( 0.000 -1.374 1.429) 1.983 7.831 ( 0.000 4.152 0.404) 4.172 7.868 ( 0.000 0.222 0.189) 0.291 7.948 ( 0.000 -0.462 -1.700) 1.761 7.999 ( 0.000 -7.106 10.387) 12.585 8.398 ( 0.000 0.101 1.921) 1.924 8.516 ( 0.000 -1.239 -12.118) 12.181 8.558 ( 0.000 0.449 -3.079) 3.112 8.742 ( 0.000 7.689 5.332) 9.357 8.882 ( 0.000 -5.992 8.133) 10.102 9.013 ( 0.000 5.626 -2.329) 6.089 9.379 ( 0.000 -13.312 -2.174) 13.488 9.551 ( 0.000 -2.037 -0.430) 2.082 9.675 ( 0.000 7.032 -10.427) 12.577 9.872 ( 0.000 -2.169 4.199) 4.726 10.432 ( 0.000 0.128 -9.949) 9.949 10.543 ( 0.000 -5.647 2.272) 6.087 10.603 ( 0.000 2.363 -1.438) 2.766 10.982 ( 0.000 -8.316 3.604) 9.063 11.077 ( 0.000 -3.071 6.011) 6.750 11.253 ( 0.000 -7.773 -3.598) 8.565 11.411 ( 0.000 -5.467 -3.012) 6.242 12.083 ( 0.000 -9.825 21.024) 23.206 12.799 ( 0.000 -2.555 3.363) 4.223 12.947 ( 0.000 4.471 -18.441) 18.976 13.073 ( 0.000 0.985 -3.308) 3.451 13.453 ( 0.000 14.671 7.055) 16.279 13.922 ( 0.000 18.640 -6.854) 19.860 14.830 ( 0.000 -5.864 5.184) 7.827 15.072 ( 0.000 -0.458 3.980) 4.006 15.320 ( 0.000 1.436 -4.821) 5.030 15.480 ( 0.000 -18.715 19.209) 26.819 15.578 ( 0.000 -2.566 -9.489) 9.830 16.004 ( 0.000 -4.914 -5.833) 7.627 16.268 ( 0.000 0.913 2.740) 2.888 16.390 ( 0.000 6.243 -0.816) 6.296 16.517 ( 0.000 -1.072 10.332) 10.388 17.068 ( 0.000 -1.851 -5.110) 5.435 24.444 ( 0.000 0.255 3.287) 3.297 24.646 ( 0.000 -1.033 1.110) 1.516 24.715 ( 0.000 -2.341 2.505) 3.428 24.743 ( 0.000 -1.408 -5.194) 5.382 24.965 ( 0.000 -1.112 14.397) 14.440 25.094 ( 0.000 0.245 8.607) 8.610 25.683 ( 0.000 3.517 -7.114) 7.936 25.912 ( 0.000 17.660 -26.576) 31.909 27.373 ( 0.000 -2.380 3.656) 4.362 27.410 ( 0.000 -6.471 1.851) 6.730 27.544 ( 0.000 -4.844 -1.900) 5.203 27.640 ( 0.000 -4.029 -2.107) 4.547 27.734 ( 0.000 6.851 2.796) 7.399 27.901 ( 0.000 -12.739 24.474) 27.591 27.916 ( 0.000 10.118 -1.939) 10.302 28.775 ( 0.000 -2.209 -12.042) 12.243 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 12.041 13.778 15.425) 23.932 1.080 ( 14.703 18.988 15.382) 28.519 1.569 ( 7.865 15.873 4.884) 18.376 1.665 ( 4.819 11.142 6.074) 13.574 1.732 ( 3.562 6.686 3.062) 8.171 1.886 ( 0.964 16.623 5.309) 17.476 1.938 ( -1.032 0.094 -2.673) 2.867 2.118 ( -0.080 8.752 -2.838) 9.200 2.234 ( 6.440 11.873 -5.353) 14.529 2.790 ( 1.337 2.181 -0.794) 2.679 2.839 ( 5.701 -0.994 -3.530) 6.778 2.902 ( 0.271 -4.296 1.917) 4.712 3.043 ( 0.023 -1.706 -6.525) 6.745 3.169 ( 8.264 -1.715 -3.771) 9.244 3.238 ( 4.561 -0.972 -3.725) 5.969 3.334 ( 0.695 -0.469 5.953) 6.012 3.419 ( 5.557 -0.764 1.787) 5.887 3.523 ( 5.289 -5.354 2.902) 8.066 3.671 ( -0.141 -6.093 -1.852) 6.370 3.755 ( 0.300 3.881 -2.715) 4.746 3.790 ( -0.401 -3.568 -0.352) 3.608 3.817 ( 3.176 -0.675 -0.323) 3.263 3.927 ( -1.140 -1.597 1.031) 2.216 3.975 ( 4.583 1.084 4.775) 6.707 4.071 ( 9.288 -4.136 1.048) 10.221 4.127 ( -3.028 -4.698 14.050) 15.121 4.253 ( 9.692 0.516 1.741) 9.860 4.333 ( 5.818 -3.222 4.529) 8.047 4.579 ( 3.657 4.677 -2.359) 6.388 4.736 ( -0.717 -3.249 1.329) 3.583 4.804 ( -0.716 1.161 0.261) 1.389 4.813 ( -0.809 2.530 -0.696) 2.746 4.952 ( 1.273 -5.583 -1.120) 5.834 5.085 ( -0.700 -0.724 -4.789) 4.893 5.134 ( -0.651 -0.558 -3.001) 3.121 5.311 ( 10.453 -5.027 -6.143) 13.125 6.797 ( -5.666 4.598 6.434) 9.728 6.993 ( -0.426 2.252 7.311) 7.662 7.157 ( 1.953 2.472 3.708) 4.866 7.261 ( -8.825 11.626 -7.974) 16.632 7.391 ( -1.188 -0.365 -3.018) 3.264 7.576 ( 0.374 1.797 -3.738) 4.165 7.714 ( -5.424 1.016 4.093) 6.871 7.802 ( -1.471 2.503 -0.807) 3.013 7.887 ( 1.559 -1.325 1.126) 2.335 7.924 ( -3.607 0.474 5.166) 6.318 7.960 ( 0.669 -1.138 -1.012) 1.663 8.067 ( -9.517 2.740 0.902) 9.945 8.463 ( 3.656 -2.582 5.369) 6.990 8.652 ( -3.000 8.918 6.043) 11.182 8.870 ( 6.291 -2.121 -0.787) 6.685 8.946 ( -1.072 2.770 0.136) 2.973 9.265 ( 7.206 -11.736 -6.806) 15.362 9.477 ( 9.271 -16.933 -5.382) 20.041 9.510 ( -3.574 -2.807 0.050) 4.545 9.734 ( 4.950 1.897 -13.573) 14.571 9.906 ( 2.850 -1.070 4.382) 5.336 10.421 ( 0.542 -1.033 -7.808) 7.895 10.530 ( -1.866 -2.180 0.906) 3.009 10.623 ( 1.288 3.766 -3.489) 5.293 10.996 ( 0.027 -9.748 3.634) 10.403 11.007 ( -5.136 -3.683 5.781) 8.565 11.283 ( 2.146 -9.940 -4.332) 11.054 11.338 ( -6.232 -4.821 -3.137) 8.481 12.015 ( -5.261 -4.126 17.127) 18.386 12.618 ( -16.952 7.152 -7.280) 19.787 12.828 ( -3.836 -2.221 5.307) 6.915 13.145 ( 4.829 -1.173 -3.581) 6.125 13.294 ( -10.671 15.085 7.493) 19.939 13.852 ( -4.699 18.689 -9.945) 21.686 14.731 ( -9.029 -6.289 5.840) 12.457 15.130 ( 5.751 -0.128 4.625) 7.381 15.285 ( -1.501 -0.845 1.769) 2.469 15.378 ( -10.000 -4.486 -0.509) 10.972 15.802 ( 8.816 -4.999 -2.165) 10.363 16.049 ( 5.134 -4.662 -9.960) 12.136 16.400 ( 11.011 -1.417 2.859) 11.465 16.512 ( 2.585 -1.094 7.989) 8.468 16.577 ( 13.306 0.607 0.469) 13.328 17.068 ( -0.034 -1.881 -5.087) 5.423 24.445 ( 0.040 0.196 3.229) 3.235 24.644 ( -0.214 -1.058 1.172) 1.593 24.703 ( -0.774 0.117 3.269) 3.361 24.738 ( -0.406 -0.979 -4.802) 4.918 24.950 ( -0.939 0.105 9.925) 9.970 25.096 ( 0.042 -0.067 8.808) 8.808 25.592 ( -10.954 11.407 -7.911) 17.683 25.737 ( -4.672 9.576 -9.669) 14.388 27.231 ( -7.227 -1.289 2.335) 7.704 27.362 ( -4.757 -1.873 0.756) 5.168 27.496 ( -0.245 -3.027 -1.344) 3.321 27.632 ( -1.938 -1.167 -2.149) 3.121 27.792 ( -2.224 0.109 10.466) 10.700 27.836 ( 7.943 5.424 5.535) 11.097 28.337 ( 8.979 -11.623 -2.141) 14.843 28.822 ( 8.503 -6.502 -15.633) 18.947 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 10.283 8.363 6.195) 14.631 1.420 ( 14.790 12.541 7.644) 20.844 1.511 ( -4.767 5.493 -1.648) 7.457 1.696 ( 0.299 9.839 8.720) 13.150 1.839 ( 8.415 8.577 3.322) 12.467 1.963 ( 1.780 0.395 -2.461) 3.063 2.092 ( 7.475 11.271 4.540) 14.266 2.138 ( 3.079 7.205 -1.821) 8.045 2.361 ( 2.410 5.238 0.913) 5.837 2.689 ( -5.597 4.109 2.673) 7.440 2.923 ( -2.369 -2.927 -7.771) 8.635 3.013 ( 10.031 -0.400 4.229) 10.893 3.111 ( -4.066 3.279 -5.054) 7.268 3.186 ( 0.440 -1.041 1.176) 1.631 3.325 ( 7.919 2.596 -0.608) 8.356 3.540 ( 12.085 -2.858 -1.257) 12.482 3.548 ( 3.569 -6.227 5.766) 9.207 3.599 ( 6.496 -2.925 2.605) 7.586 3.703 ( 2.737 -5.812 1.070) 6.512 3.778 ( 1.957 -0.291 1.607) 2.549 3.809 ( 2.754 0.998 -6.486) 7.117 3.893 ( -0.599 -2.008 2.369) 3.162 3.984 ( 5.998 -1.465 1.156) 6.281 4.048 ( 7.839 5.231 -1.266) 9.509 4.081 ( 1.950 1.860 1.607) 3.138 4.374 ( 14.415 -3.633 3.708) 15.321 4.436 ( 7.078 -2.540 2.491) 7.922 4.483 ( 6.576 0.552 4.546) 8.014 4.582 ( -5.479 1.947 -1.275) 5.953 4.722 ( 1.508 2.093 -0.765) 2.691 4.826 ( 2.580 -0.643 0.234) 2.669 4.850 ( 2.647 1.328 -0.652) 3.033 5.025 ( 5.018 -3.708 -0.089) 6.240 5.177 ( 11.144 0.571 -5.025) 12.238 5.208 ( 8.623 1.640 -2.179) 9.044 5.512 ( 10.132 -5.954 -8.771) 14.664 6.715 ( -1.641 3.411 5.372) 6.571 6.971 ( -1.729 1.346 6.953) 7.291 7.101 ( -4.470 6.339 -4.924) 9.188 7.176 ( -1.459 4.142 3.544) 5.643 7.349 ( -2.816 -0.260 -3.130) 4.219 7.558 ( -2.106 -2.160 2.830) 4.136 7.636 ( -2.164 4.932 -2.500) 5.938 7.774 ( -1.384 0.229 -2.375) 2.758 7.868 ( -1.979 2.877 1.559) 3.824 7.901 ( -4.324 -0.508 0.805) 4.427 7.934 ( 0.762 -3.321 0.919) 3.529 7.999 ( 0.783 -0.164 -0.854) 1.170 8.473 ( -1.881 1.714 6.317) 6.810 8.652 ( 1.485 2.700 6.797) 7.463 8.860 ( -3.008 4.337 -3.167) 6.155 9.021 ( 4.068 -3.752 3.287) 6.437 9.281 ( -2.275 -9.300 -2.440) 9.880 9.423 ( -4.142 -1.353 1.208) 4.522 9.569 ( -1.958 -18.627 -8.254) 20.467 9.796 ( 1.852 1.043 -8.480) 8.743 9.972 ( 3.114 0.998 5.076) 6.038 10.448 ( -0.977 -1.414 0.498) 1.789 10.486 ( 0.526 0.923 -6.199) 6.289 10.638 ( 0.082 4.687 -5.501) 7.227 10.813 ( -10.965 -1.942 4.520) 12.018 11.042 ( 1.298 -13.121 2.344) 13.391 11.153 ( -8.469 -5.504 -2.042) 10.305 11.349 ( 2.470 -12.609 -4.117) 13.492 11.916 ( -3.589 1.482 10.074) 10.796 12.317 ( -10.663 4.239 -3.703) 12.058 12.748 ( -4.016 -3.324 7.828) 9.406 13.085 ( -8.617 16.478 6.219) 19.607 13.241 ( 3.834 -4.301 -4.694) 7.431 13.742 ( -5.933 17.715 -10.606) 21.483 14.537 ( -8.183 -5.648 5.693) 11.458 15.111 ( -7.090 -5.496 -9.651) 13.176 15.286 ( -0.929 0.285 8.765) 8.819 15.324 ( 6.795 2.284 8.066) 10.791 15.761 ( -7.159 5.796 -1.446) 9.324 16.204 ( 6.166 -2.138 -11.194) 12.957 16.509 ( 0.705 -2.271 9.864) 10.147 16.686 ( 12.445 -3.062 2.801) 13.118 16.901 ( 14.663 -2.322 -2.582) 15.068 17.063 ( -0.494 -1.886 -5.093) 5.453 24.446 ( 0.135 0.062 2.954) 2.957 24.638 ( -0.318 -1.268 1.508) 1.996 24.697 ( 0.305 2.456 3.187) 4.035 24.731 ( -0.189 -0.186 -4.352) 4.360 24.936 ( -0.478 0.020 4.047) 4.075 25.094 ( -0.217 -0.158 8.780) 8.785 25.409 ( -5.313 9.188 -4.665) 11.594 25.668 ( -3.892 3.291 -7.171) 8.797 27.101 ( -5.058 -0.362 2.336) 5.583 27.304 ( -1.511 -1.468 -2.075) 2.957 27.445 ( -4.126 -3.104 -1.891) 5.498 27.576 ( -3.084 -1.763 -2.096) 4.124 27.744 ( -1.786 2.418 9.896) 10.342 28.023 ( 8.071 3.360 4.745) 9.947 28.286 ( -6.836 -1.590 0.235) 7.023 29.054 ( 9.873 -11.181 -15.837) 21.755 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -0.643 7.603 -1.655) 7.808 1.405 ( 0.482 7.162 -1.015) 7.250 1.664 ( 5.529 4.082 8.750) 11.126 1.849 ( 11.704 4.138 6.533) 14.028 1.994 ( 2.311 4.909 -0.892) 5.499 2.030 ( 7.714 3.829 1.112) 8.683 2.176 ( 4.439 4.851 2.693) 7.106 2.227 ( 3.246 8.609 -2.207) 9.462 2.325 ( -2.869 -0.556 3.727) 4.736 2.589 ( -4.152 4.841 1.139) 6.479 2.804 ( -9.784 4.860 8.390) 13.775 2.916 ( -8.468 2.067 -0.451) 8.728 3.164 ( 0.504 -0.449 -2.430) 2.522 3.236 ( 5.497 0.152 -2.581) 6.075 3.464 ( 3.994 0.384 -3.557) 5.362 3.562 ( -0.385 -10.912 -1.985) 11.098 3.660 ( 2.113 -1.429 2.772) 3.767 3.747 ( 3.442 -3.333 1.848) 5.135 3.787 ( 4.212 1.984 -3.160) 5.627 3.805 ( 0.064 -2.228 -1.356) 2.609 3.900 ( 1.773 -1.074 3.085) 3.717 3.985 ( 2.170 2.685 3.299) 4.775 4.027 ( 10.844 -1.439 1.012) 10.986 4.062 ( -0.877 2.077 -1.804) 2.888 4.287 ( 1.425 -2.108 -3.585) 4.396 4.451 ( -1.662 -0.849 2.032) 2.759 4.553 ( 4.682 2.965 -1.718) 5.802 4.584 ( 4.191 -0.770 4.721) 6.359 4.730 ( 14.854 3.502 4.833) 16.008 4.775 ( 4.615 -0.180 0.599) 4.657 4.873 ( 2.338 0.299 -0.332) 2.380 4.919 ( 3.694 3.557 1.368) 5.307 5.104 ( 2.575 -0.406 1.807) 3.172 5.372 ( 8.099 1.485 -5.373) 9.832 5.521 ( 14.603 0.238 -4.493) 15.280 5.741 ( 9.978 -5.184 -9.650) 14.818 6.726 ( 2.227 1.547 4.685) 5.413 6.921 ( -2.897 -0.223 6.099) 6.756 7.053 ( -0.558 2.381 -3.740) 4.469 7.130 ( -2.286 5.486 4.123) 7.233 7.281 ( -3.319 0.051 -3.511) 4.832 7.507 ( -2.179 -2.707 5.423) 6.440 7.603 ( -1.138 4.974 -6.198) 8.028 7.748 ( -0.942 -1.771 -2.836) 3.474 7.827 ( -1.792 -0.802 0.894) 2.157 7.839 ( -0.576 1.127 0.820) 1.508 7.937 ( -1.019 -1.506 1.434) 2.316 8.017 ( 0.714 -0.379 -0.818) 1.150 8.426 ( -2.260 4.483 5.342) 7.331 8.670 ( 0.076 -1.065 5.646) 5.746 8.802 ( -2.403 4.586 -2.732) 5.854 9.047 ( -1.311 -9.595 3.504) 10.298 9.222 ( -2.276 -7.821 -3.159) 8.737 9.363 ( -2.717 -0.734 0.386) 2.841 9.413 ( -8.682 -10.746 -3.063) 14.151 9.869 ( 4.189 2.300 -7.035) 8.505 10.022 ( 1.456 2.446 5.469) 6.166 10.405 ( -1.202 0.288 2.029) 2.376 10.539 ( 2.940 0.182 -5.593) 6.321 10.573 ( -8.662 -1.121 3.748) 9.504 10.644 ( -1.748 4.334 -6.613) 8.098 10.931 ( -7.105 -2.675 -4.480) 8.815 11.132 ( 2.327 -18.169 4.508) 18.864 11.380 ( 0.519 -13.791 -2.730) 14.068 11.868 ( -1.241 1.974 5.352) 5.838 12.166 ( -4.267 -0.207 -3.186) 5.329 12.673 ( -2.825 -3.358 8.621) 9.674 12.955 ( -3.856 18.599 6.737) 20.154 13.301 ( 2.188 -5.970 -7.033) 9.481 13.615 ( -5.636 17.571 -9.570) 20.787 14.412 ( -3.822 -4.866 5.626) 8.363 15.007 ( -2.768 -4.974 -10.705) 12.124 15.261 ( -1.026 0.762 5.959) 6.094 15.456 ( 4.777 2.069 9.646) 10.961 15.611 ( -6.143 7.708 -0.114) 9.857 16.281 ( 1.669 1.520 -5.753) 6.180 16.527 ( 1.034 -0.710 6.270) 6.395 16.899 ( 7.268 -4.213 3.015) 8.925 17.050 ( -0.571 -1.832 -5.093) 5.443 17.143 ( 7.959 -2.777 -2.967) 8.936 24.450 ( 0.149 -0.055 2.427) 2.432 24.632 ( -0.261 -1.414 2.296) 2.709 24.710 ( 0.757 2.833 3.036) 4.221 24.730 ( 0.011 0.256 -4.610) 4.617 24.928 ( -0.272 -0.388 0.987) 1.095 25.088 ( -0.231 -0.149 8.562) 8.567 25.361 ( 0.352 5.429 -4.928) 7.340 25.564 ( -5.694 1.885 -5.867) 8.390 27.021 ( -2.604 -0.072 2.735) 3.777 27.286 ( -0.369 -1.606 -3.274) 3.665 27.356 ( -3.733 -3.179 -0.739) 4.958 27.517 ( -2.259 -2.207 -2.304) 3.909 27.720 ( -0.596 4.161 8.006) 9.042 28.086 ( -2.480 3.746 -3.010) 5.408 28.229 ( 2.458 0.959 10.210) 10.545 29.201 ( 4.447 -10.313 -14.148) 18.063 ======================= Grid point 76 (30/60) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.000 4.792 -1.032) 4.902 1.422 ( -0.000 11.121 -1.118) 11.177 1.722 ( 0.000 1.855 7.803) 8.020 1.966 ( 0.000 -0.086 2.104) 2.106 2.045 ( 0.000 9.903 1.700) 10.048 2.114 ( -0.000 -9.143 -2.673) 9.525 2.247 ( -0.000 -0.477 -1.478) 1.553 2.261 ( -0.000 8.401 -2.812) 8.859 2.328 ( -0.000 10.135 7.706) 12.732 2.573 ( -0.000 4.311 11.056) 11.867 2.599 ( 0.000 2.551 1.765) 3.102 2.812 ( 0.000 11.005 6.752) 12.911 3.176 ( 0.000 -0.871 -4.665) 4.745 3.292 ( -0.000 -1.659 -2.547) 3.040 3.504 ( 0.000 -1.822 -3.229) 3.707 3.552 ( 0.000 -11.511 -4.945) 12.529 3.677 ( 0.000 -1.314 3.381) 3.628 3.779 ( 0.000 -1.814 -2.545) 3.126 3.808 ( 0.000 -3.279 1.058) 3.445 3.848 ( -0.000 5.009 -7.791) 9.262 3.907 ( 0.000 1.873 5.567) 5.874 3.989 ( -0.000 -3.450 -0.058) 3.450 4.048 ( 0.000 0.618 -1.275) 1.417 4.189 ( -0.000 -0.005 6.293) 6.293 4.251 ( 0.000 1.771 -3.844) 4.232 4.438 ( 0.000 -3.258 7.473) 8.152 4.596 ( -0.000 5.357 -3.617) 6.464 4.631 ( 0.000 -4.275 3.345) 5.428 4.819 ( 0.000 -1.397 -0.228) 1.415 4.874 ( 0.000 0.748 -1.595) 1.762 4.959 ( 0.000 5.481 2.485) 6.018 4.986 ( 0.000 2.859 6.026) 6.670 5.133 ( 0.000 1.792 1.748) 2.503 5.474 ( 0.000 2.355 -6.376) 6.798 5.684 ( 0.000 0.889 -5.199) 5.274 5.849 ( 0.000 -4.536 -9.664) 10.675 6.766 ( 0.000 -0.336 4.181) 4.195 6.876 ( -0.000 -0.376 6.100) 6.111 7.053 ( 0.000 0.146 -3.406) 3.409 7.104 ( 0.000 6.899 4.564) 8.272 7.240 ( 0.000 0.524 -3.903) 3.938 7.482 ( 0.000 -2.667 5.916) 6.490 7.590 ( 0.000 4.698 -6.969) 8.405 7.738 ( 0.000 -2.656 -2.846) 3.893 7.817 ( 0.000 -2.045 0.905) 2.236 7.842 ( 0.000 -1.267 0.349) 1.314 7.914 ( -0.000 0.247 2.632) 2.644 8.025 ( -0.000 1.107 -0.850) 1.395 8.397 ( 0.000 4.447 4.497) 6.325 8.665 ( 0.000 -0.765 3.493) 3.576 8.773 ( 0.000 2.178 -1.441) 2.611 9.020 ( 0.000 -11.057 3.818) 11.698 9.228 ( 0.000 -8.462 -1.739) 8.639 9.236 ( -0.000 -10.812 -7.524) 13.172 9.376 ( 0.000 6.621 5.246) 8.448 9.921 ( 0.000 1.109 -7.617) 7.697 10.034 ( 0.000 2.794 5.509) 6.177 10.405 ( 0.000 -0.288 1.284) 1.315 10.457 ( -0.000 -0.310 5.236) 5.245 10.590 ( -0.000 1.725 -4.264) 4.599 10.613 ( 0.000 2.856 -8.351) 8.826 10.852 ( 0.000 -1.647 -4.515) 4.806 11.160 ( 0.000 -19.896 4.183) 20.331 11.383 ( 0.000 -13.918 -1.668) 14.017 11.856 ( 0.000 1.612 3.843) 4.167 12.124 ( 0.000 -1.978 -3.228) 3.786 12.642 ( 0.000 -3.441 9.208) 9.830 12.917 ( 0.000 19.520 7.202) 20.806 13.329 ( 0.000 -7.553 -8.610) 11.453 13.545 ( 0.000 18.796 -8.941) 20.814 14.373 ( 0.000 -4.535 5.680) 7.268 14.982 ( -0.000 -4.819 -11.133) 12.131 15.250 ( 0.000 0.833 4.862) 4.933 15.521 ( 0.000 0.933 13.048) 13.082 15.528 ( -0.000 9.187 -2.493) 9.520 16.295 ( 0.000 2.310 -3.013) 3.797 16.540 ( 0.000 0.187 4.170) 4.175 16.976 ( 0.000 -4.474 3.177) 5.488 17.042 ( 0.000 -1.779 -5.216) 5.511 17.226 ( 0.000 -2.808 -3.006) 4.113 24.451 ( -0.000 -0.099 2.110) 2.112 24.629 ( 0.000 -1.447 2.773) 3.128 24.721 ( 0.000 3.198 5.242) 6.140 24.729 ( 0.000 -0.086 -7.059) 7.060 24.925 ( 0.000 -0.456 0.106) 0.468 25.086 ( 0.000 -0.156 8.422) 8.424 25.390 ( 0.000 4.526 -6.869) 8.227 25.477 ( -0.000 1.267 -3.576) 3.794 26.994 ( 0.000 -0.002 2.875) 2.875 27.286 ( 0.000 -0.217 -6.086) 6.090 27.310 ( -0.000 -4.550 2.275) 5.087 27.492 ( 0.000 -2.294 -2.350) 3.284 27.715 ( 0.000 4.715 7.214) 8.618 28.049 ( 0.000 4.684 -2.706) 5.409 28.266 ( 0.000 0.798 10.691) 10.721 29.247 ( 0.000 -10.000 -13.597) 16.878 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 14.345 15.292) 20.968 1.322 ( 0.000 25.589 9.604) 27.331 1.675 ( 0.000 -0.281 2.024) 2.044 1.913 ( 0.000 1.865 -4.876) 5.221 1.967 ( 0.000 20.983 -4.273) 21.414 2.084 ( 0.000 10.548 -3.855) 11.230 2.231 ( 0.000 10.391 -13.374) 16.936 2.275 ( 0.000 12.872 -5.987) 14.196 2.502 ( 0.000 23.635 14.844) 27.909 2.741 ( 0.000 -9.500 1.084) 9.562 2.771 ( 0.000 3.564 1.383) 3.823 2.949 ( 0.000 -1.632 -3.344) 3.721 2.977 ( 0.000 2.882 -2.267) 3.667 3.014 ( 0.000 -2.646 -5.315) 5.937 3.140 ( 0.000 3.489 -7.616) 8.377 3.267 ( 0.000 -6.740 5.313) 8.582 3.288 ( 0.000 -6.000 5.916) 8.426 3.352 ( 0.000 -3.600 8.278) 9.027 3.498 ( 0.000 -10.197 -0.316) 10.202 3.662 ( 0.000 -6.653 1.502) 6.821 3.749 ( 0.000 -4.201 8.839) 9.787 3.874 ( 0.000 -0.590 1.214) 1.350 3.893 ( 0.000 4.538 -5.434) 7.080 3.945 ( 0.000 7.380 -2.619) 7.831 4.018 ( 0.000 2.584 -2.035) 3.289 4.043 ( 0.000 -3.057 14.239) 14.563 4.121 ( 0.000 -2.582 2.857) 3.851 4.241 ( 0.000 0.753 3.029) 3.121 4.546 ( 0.000 -12.389 4.538) 13.194 4.636 ( 0.000 0.769 -9.126) 9.158 4.783 ( 0.000 -2.668 -1.408) 3.017 4.823 ( 0.000 1.831 -2.432) 3.044 5.007 ( 0.000 1.541 -1.746) 2.329 5.075 ( 0.000 -0.600 2.767) 2.832 5.084 ( 0.000 -2.824 -5.563) 6.239 5.142 ( 0.000 0.983 0.964) 1.377 7.005 ( 0.000 4.690 9.002) 10.151 7.043 ( 0.000 2.185 5.560) 5.974 7.171 ( 0.000 4.020 4.278) 5.870 7.385 ( 0.000 -0.241 -2.091) 2.105 7.456 ( 0.000 -1.354 -0.185) 1.366 7.669 ( 0.000 5.805 -7.471) 9.462 7.670 ( 0.000 -8.183 1.546) 8.328 7.876 ( 0.000 0.946 1.180) 1.512 7.911 ( 0.000 -2.563 -1.707) 3.079 7.937 ( 0.000 5.945 -0.876) 6.009 7.958 ( 0.000 1.253 2.625) 2.909 8.410 ( 0.000 1.343 2.007) 2.415 8.442 ( 0.000 -5.987 -12.503) 13.862 8.572 ( 0.000 1.363 -2.345) 2.713 8.755 ( 0.000 -7.200 5.584) 9.112 8.995 ( 0.000 16.326 3.660) 16.731 9.044 ( 0.000 -16.496 -1.888) 16.604 9.190 ( 0.000 11.569 -2.104) 11.759 9.523 ( 0.000 -0.004 0.902) 0.902 9.764 ( 0.000 1.444 -7.977) 8.107 9.807 ( 0.000 -4.076 4.853) 6.337 10.321 ( 0.000 -15.897 5.534) 16.833 10.434 ( 0.000 0.225 -10.784) 10.786 10.640 ( 0.000 -0.197 -3.878) 3.883 10.836 ( 0.000 -4.217 3.401) 5.417 10.993 ( 0.000 -4.789 5.803) 7.524 11.032 ( 0.000 -10.787 -2.623) 11.101 11.261 ( 0.000 -8.521 -2.020) 8.757 12.106 ( 0.000 8.589 13.407) 15.922 12.716 ( 0.000 -5.677 4.488) 7.237 13.005 ( 0.000 2.412 -15.102) 15.294 13.091 ( 0.000 0.537 -4.710) 4.741 13.766 ( 0.000 15.793 10.001) 18.693 14.334 ( 0.000 19.801 -7.979) 21.348 14.654 ( 0.000 -10.838 5.947) 12.362 15.055 ( 0.000 -1.610 0.890) 1.840 15.246 ( 0.000 -6.284 12.719) 14.186 15.313 ( 0.000 -3.437 -4.445) 5.619 15.548 ( 0.000 1.237 -5.987) 6.114 15.883 ( 0.000 -6.247 -7.145) 9.491 16.297 ( 0.000 2.111 4.152) 4.658 16.481 ( 0.000 -2.355 9.113) 9.412 16.546 ( 0.000 8.589 -2.622) 8.981 17.006 ( 0.000 -4.235 -5.092) 6.623 24.459 ( 0.000 1.266 2.838) 3.108 24.612 ( 0.000 -2.394 1.463) 2.805 24.715 ( 0.000 0.682 -1.760) 1.888 24.716 ( 0.000 -0.980 -4.599) 4.703 24.990 ( 0.000 2.667 15.035) 15.269 25.098 ( 0.000 -0.023 9.616) 9.616 25.780 ( 0.000 5.633 -8.494) 10.192 26.078 ( 0.000 1.215 -19.139) 19.177 27.299 ( 0.000 -4.119 2.534) 4.836 27.304 ( 0.000 -3.479 5.068) 6.147 27.472 ( 0.000 -1.965 -2.096) 2.873 27.576 ( 0.000 -2.811 -3.250) 4.297 27.812 ( 0.000 1.070 15.390) 15.427 27.856 ( 0.000 4.452 3.818) 5.865 28.129 ( 0.000 10.148 -3.057) 10.599 28.652 ( 0.000 -7.751 -9.390) 12.176 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 5.333 13.591 10.559) 18.018 1.486 ( 10.781 19.936 7.744) 23.951 1.712 ( 3.432 0.250 2.726) 4.390 1.870 ( -9.754 7.353 -7.581) 14.376 1.930 ( 1.578 2.133 -4.496) 5.221 2.085 ( 3.723 22.157 -0.369) 22.471 2.285 ( 3.012 14.059 -3.361) 14.766 2.325 ( 2.489 8.104 -7.494) 11.315 2.499 ( -0.897 16.633 10.336) 19.604 2.726 ( -1.465 -9.214 1.480) 9.447 2.872 ( 4.649 0.709 -4.674) 6.631 2.945 ( 4.898 8.645 1.170) 10.005 2.972 ( 2.918 -4.581 -4.296) 6.925 3.118 ( 7.934 -3.098 -3.828) 9.338 3.239 ( 4.088 3.833 0.130) 5.605 3.294 ( 4.310 -4.996 0.855) 6.654 3.348 ( 6.437 -2.587 5.321) 8.743 3.418 ( 4.099 -4.618 8.428) 10.448 3.519 ( 2.518 -7.335 0.360) 7.763 3.664 ( 2.079 -5.590 1.465) 6.141 3.795 ( 0.072 -4.835 0.324) 4.847 3.843 ( 1.340 -0.136 4.006) 4.226 3.910 ( 0.083 6.368 -1.974) 6.667 4.016 ( 8.968 2.848 3.914) 10.191 4.059 ( 3.606 -0.028 4.399) 5.688 4.086 ( 4.037 1.846 0.772) 4.505 4.263 ( 10.855 -1.530 1.183) 11.026 4.283 ( 3.949 0.098 2.665) 4.765 4.600 ( 4.945 -9.261 3.772) 11.156 4.667 ( 2.501 2.062 -7.079) 7.785 4.759 ( -0.411 -5.052 -3.270) 6.032 4.857 ( 1.962 1.868 -2.202) 3.491 4.915 ( -4.322 2.980 1.336) 5.417 5.065 ( 0.620 -0.383 -3.946) 4.013 5.127 ( 2.651 -0.894 1.168) 3.032 5.231 ( 6.232 -3.344 -1.921) 7.329 6.905 ( -6.118 5.211 7.198) 10.788 7.031 ( -1.507 1.122 5.220) 5.548 7.238 ( 3.479 4.755 4.513) 7.422 7.373 ( -1.392 0.141 -2.482) 2.850 7.416 ( -5.101 2.884 -4.033) 7.114 7.551 ( -4.555 -3.818 2.752) 6.549 7.739 ( 1.241 0.291 -3.843) 4.049 7.858 ( -1.316 0.311 0.435) 1.420 7.875 ( -2.643 1.868 -2.628) 4.169 7.909 ( -1.808 -0.601 -0.839) 2.082 7.961 ( -1.145 1.922 1.844) 2.899 8.154 ( -10.720 4.172 -3.195) 11.939 8.430 ( 1.329 -0.211 3.608) 3.851 8.754 ( 3.726 -6.188 1.944) 7.481 8.836 ( 5.308 -3.996 -3.980) 7.745 8.999 ( 0.015 10.665 2.860) 11.042 9.050 ( 0.106 -15.616 -1.103) 15.655 9.239 ( 3.776 6.638 -4.653) 8.943 9.499 ( -1.435 2.099 2.097) 3.296 9.796 ( 2.755 1.852 -6.894) 7.652 9.857 ( 4.062 -3.853 4.775) 7.359 10.321 ( 0.359 -13.384 3.202) 13.766 10.445 ( 1.250 -2.481 -7.375) 7.881 10.674 ( 1.879 -0.334 -5.552) 5.871 10.801 ( -2.844 -5.608 3.176) 7.045 10.923 ( -5.976 -5.803 4.275) 9.363 11.012 ( -2.098 -11.888 -1.364) 12.148 11.204 ( -5.334 -7.650 -2.361) 9.620 12.084 ( -1.944 9.083 11.505) 14.786 12.679 ( -3.948 -3.533 2.347) 5.795 12.831 ( -12.546 4.824 -7.072) 15.189 13.115 ( 1.052 -1.992 -5.111) 5.586 13.644 ( -9.025 17.477 8.145) 21.290 14.243 ( -6.456 18.220 -9.729) 21.640 14.552 ( -8.426 -10.525 6.386) 14.919 15.084 ( -0.998 -5.619 -4.373) 7.190 15.261 ( -0.320 -1.400 2.372) 2.773 15.283 ( 1.006 -3.004 10.205) 10.685 15.755 ( 16.513 0.907 -5.153) 17.322 15.981 ( 5.409 -3.100 -8.452) 10.503 16.381 ( 7.110 -0.104 4.114) 8.215 16.488 ( 1.063 -1.767 8.633) 8.876 16.628 ( 8.279 4.654 -2.329) 9.779 17.006 ( -0.051 -4.213 -5.064) 6.588 24.458 ( -0.081 1.201 2.857) 3.101 24.608 ( -0.331 -2.390 1.517) 2.850 24.713 ( 0.108 -0.195 -3.846) 3.852 24.728 ( 0.844 0.318 -2.726) 2.871 24.980 ( -0.880 2.667 13.237) 13.532 25.095 ( -0.220 -0.163 9.560) 9.564 25.736 ( -4.730 5.646 -8.080) 10.933 25.921 ( -10.928 4.936 -13.268) 17.883 27.203 ( -5.517 -1.175 2.991) 6.385 27.292 ( -2.551 -4.036 3.224) 5.762 27.454 ( -1.656 -1.635 -4.129) 4.740 27.567 ( -1.865 -4.460 -2.906) 5.641 27.818 ( 0.532 3.086 11.772) 12.181 27.935 ( 6.525 3.400 5.311) 9.074 28.257 ( 7.065 2.844 -3.095) 8.221 28.672 ( 3.484 -7.566 -9.712) 12.795 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 7.373 9.870 3.083) 12.699 1.633 ( -3.376 7.224 -2.411) 8.331 1.692 ( 0.585 9.156 -0.192) 9.177 1.808 ( 5.152 4.168 5.496) 8.610 1.970 ( 1.882 1.603 -3.834) 4.562 2.173 ( 4.362 19.905 1.956) 20.471 2.308 ( -1.087 6.105 -2.461) 6.671 2.387 ( 3.577 11.304 -4.188) 12.574 2.449 ( -2.833 9.219 8.102) 12.596 2.688 ( -2.276 -3.392 4.112) 5.796 2.858 ( 0.184 -4.405 -7.709) 8.881 3.044 ( -0.849 -0.460 3.285) 3.424 3.143 ( 4.958 -4.359 -3.296) 7.379 3.230 ( 2.649 5.141 -2.663) 6.367 3.299 ( 2.013 -3.917 4.065) 5.993 3.412 ( 4.693 -0.622 -0.491) 4.759 3.488 ( 6.942 -5.735 3.615) 9.703 3.560 ( 9.045 0.493 6.108) 10.925 3.629 ( 8.259 -0.178 0.441) 8.273 3.730 ( 3.184 -7.151 1.532) 7.977 3.816 ( 0.034 -0.300 3.352) 3.365 3.856 ( 6.059 3.896 -3.717) 8.106 4.012 ( 4.244 2.319 2.049) 5.253 4.105 ( 6.172 2.494 -1.400) 6.803 4.154 ( 0.653 2.444 -2.813) 3.783 4.318 ( 15.024 -1.388 7.045) 16.652 4.423 ( 9.794 0.431 2.545) 10.128 4.468 ( 7.068 -1.349 1.231) 7.300 4.645 ( -1.886 5.362 -3.763) 6.816 4.736 ( 7.115 -1.551 0.687) 7.315 4.830 ( -0.015 -0.415 -1.553) 1.607 4.861 ( 5.634 0.229 0.014) 5.638 4.955 ( 5.937 -1.093 0.957) 6.112 5.173 ( 10.485 -1.257 -3.030) 10.987 5.227 ( 8.000 -0.414 0.095) 8.011 5.381 ( 9.341 -6.379 -4.647) 12.229 6.806 ( -3.022 4.958 5.197) 7.793 6.982 ( -3.081 -0.142 4.898) 5.788 7.237 ( -6.655 6.111 -4.508) 10.097 7.283 ( -1.439 4.482 1.373) 4.904 7.347 ( -2.028 1.078 -1.173) 2.579 7.492 ( -2.175 -3.507 4.465) 6.080 7.724 ( -2.076 -1.502 -3.183) 4.086 7.786 ( -4.408 3.906 -5.779) 8.252 7.833 ( -2.901 -3.743 1.603) 5.000 7.863 ( -2.374 -1.558 -0.416) 2.870 7.936 ( 0.334 1.581 1.938) 2.523 8.058 ( -1.114 4.898 -1.551) 5.257 8.452 ( 0.601 -1.436 5.025) 5.261 8.792 ( 0.322 -5.748 4.694) 7.428 8.871 ( -1.175 2.768 -4.173) 5.143 8.975 ( -2.703 4.545 1.506) 5.499 9.040 ( -0.894 -14.420 -1.683) 14.546 9.270 ( -1.371 1.797 -6.360) 6.749 9.490 ( 0.558 5.907 4.355) 7.360 9.863 ( 3.392 2.999 -4.623) 6.471 9.947 ( 4.108 -3.732 5.147) 7.569 10.346 ( 1.815 -12.425 1.643) 12.663 10.475 ( 1.257 -2.454 -5.733) 6.361 10.655 ( -3.488 -6.170 -3.592) 7.945 10.725 ( -7.129 -3.052 2.476) 8.141 10.805 ( -2.038 -5.107 1.053) 5.599 10.961 ( -2.349 -17.076 -2.124) 17.367 11.057 ( -7.875 -6.718 -2.510) 10.651 12.036 ( -2.337 9.544 7.812) 12.553 12.502 ( -11.038 10.792 -5.261) 16.309 12.652 ( -4.822 -5.380 6.234) 9.542 13.126 ( -0.029 -6.480 -5.839) 8.723 13.470 ( -6.860 18.643 6.816) 21.002 14.111 ( -6.066 17.275 -10.720) 21.217 14.376 ( -7.321 -9.649 6.003) 13.518 14.960 ( -6.652 -9.028 -10.425) 15.311 15.301 ( 0.399 1.208 10.135) 10.214 15.367 ( 6.605 1.418 10.287) 12.307 15.907 ( -2.088 7.622 -4.946) 9.323 16.160 ( 10.896 -1.794 -10.139) 14.991 16.474 ( 1.751 -0.787 8.935) 9.139 16.610 ( 9.654 -3.962 3.725) 11.081 16.859 ( 12.020 -1.423 -2.823) 12.429 17.002 ( -0.276 -3.853 -4.993) 6.313 24.456 ( -0.053 1.019 2.807) 2.986 24.600 ( -0.455 -2.413 1.816) 3.054 24.718 ( 0.393 0.058 -5.039) 5.054 24.749 ( 1.082 0.875 -1.827) 2.297 24.959 ( -1.087 2.453 9.582) 9.950 25.089 ( -0.383 -0.447 9.270) 9.289 25.587 ( -7.591 7.245 -6.386) 12.284 25.743 ( -6.773 3.047 -8.718) 11.452 27.096 ( -4.452 -0.021 2.893) 5.309 27.240 ( -2.122 -4.247 2.185) 5.226 27.392 ( -3.948 -1.853 -4.424) 6.212 27.509 ( -3.232 -4.477 -2.951) 6.261 27.832 ( 0.824 6.014 8.702) 10.610 28.085 ( 6.971 1.720 5.645) 9.134 28.295 ( -2.064 3.250 -2.445) 4.561 28.813 ( 7.963 -11.227 -10.082) 17.062 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -3.893 7.033 -2.417) 8.394 1.583 ( 5.124 7.851 -3.702) 10.080 1.756 ( 1.794 3.721 1.721) 4.475 1.903 ( 3.326 -0.841 3.357) 4.800 1.995 ( 0.452 2.036 -2.395) 3.176 2.248 ( 1.647 10.189 -1.291) 10.402 2.285 ( -0.156 6.781 -0.963) 6.851 2.440 ( 1.499 9.635 -2.632) 10.100 2.460 ( 5.173 9.868 9.749) 14.805 2.642 ( -1.433 4.328 6.899) 8.270 2.891 ( -4.650 3.170 2.553) 6.180 2.921 ( -2.336 -1.816 -0.148) 2.963 3.160 ( -0.859 -2.306 3.950) 4.654 3.257 ( -1.074 -3.658 -4.466) 5.872 3.322 ( 1.335 -5.282 -5.010) 7.401 3.476 ( 1.729 1.472 0.307) 2.292 3.577 ( 1.776 -6.030 1.893) 6.565 3.695 ( 4.036 -1.401 2.677) 5.042 3.754 ( -0.063 -5.118 3.314) 6.098 3.799 ( 3.447 -5.136 1.140) 6.290 3.842 ( 5.556 3.035 -4.790) 7.939 4.018 ( -0.545 0.941 -2.443) 2.674 4.090 ( 7.583 5.449 -0.330) 9.344 4.120 ( 0.528 3.553 3.313) 4.886 4.252 ( 3.525 -0.997 -2.741) 4.575 4.425 ( -2.175 -1.607 5.201) 5.862 4.568 ( 2.422 0.280 -0.675) 2.530 4.615 ( 6.495 0.825 0.496) 6.566 4.787 ( 4.630 3.078 -0.423) 5.576 4.831 ( 7.613 4.376 0.419) 8.791 4.892 ( 7.090 1.844 1.511) 7.481 4.988 ( 5.952 3.507 5.358) 8.743 5.085 ( 6.043 -1.685 -0.379) 6.285 5.397 ( 10.180 0.815 -4.206) 11.045 5.490 ( 14.012 -3.925 -0.683) 14.567 5.634 ( 12.155 -4.598 -5.352) 14.055 6.777 ( -0.149 3.158 3.647) 4.827 6.909 ( -3.505 -0.674 4.729) 5.924 7.113 ( -4.279 3.192 -4.469) 6.962 7.248 ( -2.121 1.728 -2.477) 3.690 7.310 ( -1.211 5.458 2.455) 6.106 7.446 ( -2.071 -2.830 4.176) 5.453 7.680 ( -1.731 -3.497 -2.670) 4.728 7.709 ( -2.485 0.341 -4.659) 5.291 7.777 ( -2.023 -2.219 1.200) 3.234 7.816 ( -2.002 0.379 -1.020) 2.278 7.937 ( -0.838 0.486 1.684) 1.943 8.044 ( -0.408 2.655 -1.187) 2.937 8.454 ( -0.408 -1.152 4.649) 4.807 8.783 ( -0.941 -9.396 3.527) 10.080 8.810 ( -4.180 3.017 -2.670) 5.805 8.887 ( -4.791 5.986 2.207) 7.978 9.019 ( -0.910 -12.371 -2.577) 12.670 9.221 ( -2.137 7.132 -5.287) 9.132 9.507 ( 0.803 7.327 5.739) 9.342 9.929 ( 2.704 2.874 -3.874) 5.530 10.011 ( 1.839 -3.952 5.604) 7.100 10.376 ( 0.730 -8.041 0.762) 8.110 10.498 ( 1.041 -5.565 -5.772) 8.085 10.554 ( -7.030 -0.828 3.173) 7.757 10.597 ( -1.342 -11.502 -3.462) 12.087 10.783 ( -1.510 -4.396 0.283) 4.657 10.885 ( -4.723 -3.895 -4.075) 7.354 10.953 ( -1.395 -21.874 -1.506) 21.970 11.996 ( -1.432 9.291 4.877) 10.591 12.319 ( -6.053 12.322 -3.597) 14.191 12.572 ( -2.896 -6.325 6.991) 9.862 13.121 ( -0.212 -10.276 -7.002) 12.436 13.367 ( -3.118 19.195 6.746) 20.584 13.997 ( -4.395 18.295 -9.873) 21.248 14.267 ( -3.179 -9.070 5.765) 11.208 14.864 ( -2.640 -8.820 -11.102) 14.423 15.294 ( -0.655 2.490 8.401) 8.787 15.481 ( 3.869 -0.090 13.066) 13.627 15.827 ( -3.940 12.494 -4.965) 14.010 16.315 ( 3.931 1.181 -7.459) 8.514 16.517 ( 2.254 0.029 6.380) 6.766 16.786 ( 6.316 -6.298 3.728) 9.667 16.997 ( -0.206 -2.914 -4.850) 5.662 17.070 ( 7.374 -3.970 -3.288) 8.997 24.456 ( 0.011 0.805 2.568) 2.691 24.591 ( -0.319 -2.448 2.412) 3.451 24.727 ( 0.349 0.286 -6.072) 6.088 24.769 ( 0.801 1.241 -0.761) 1.661 24.939 ( -0.664 2.021 6.485) 6.824 25.081 ( -0.334 -0.697 8.792) 8.826 25.482 ( -2.119 5.519 -5.398) 8.005 25.606 ( -6.230 1.753 -6.751) 9.352 27.024 ( -2.393 0.426 3.001) 3.862 27.208 ( -0.968 -5.153 2.432) 5.780 27.314 ( -3.025 -0.883 -4.555) 5.538 27.449 ( -2.174 -4.067 -2.954) 5.477 27.849 ( 0.639 7.907 6.675) 10.367 28.193 ( 2.210 4.230 1.105) 4.898 28.249 ( -0.579 2.770 3.264) 4.320 28.943 ( 4.195 -13.553 -9.926) 17.315 ======================= Grid point 85 (35/60) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.000 7.212 -1.483) 7.363 1.642 ( -0.000 8.324 -6.397) 10.498 1.769 ( 0.000 2.110 2.550) 3.310 1.935 ( 0.000 -7.142 -0.620) 7.168 2.000 ( 0.000 3.083 -0.224) 3.091 2.271 ( -0.000 10.068 0.732) 10.095 2.274 ( 0.000 3.869 -2.421) 4.564 2.454 ( -0.000 8.539 -2.501) 8.898 2.598 ( -0.000 -0.615 7.548) 7.573 2.650 ( -0.000 18.730 9.971) 21.219 2.699 ( 0.000 6.748 7.564) 10.137 2.949 ( 0.000 1.258 1.034) 1.628 3.162 ( 0.000 -0.532 4.272) 4.305 3.223 ( -0.000 -12.463 -8.003) 14.812 3.340 ( 0.000 -1.809 -6.024) 6.290 3.492 ( 0.000 1.406 0.139) 1.413 3.592 ( 0.000 -5.660 2.082) 6.031 3.723 ( 0.000 -5.151 1.887) 5.486 3.764 ( -0.000 -0.072 4.202) 4.202 3.832 ( 0.000 -6.334 -4.928) 8.025 3.933 ( -0.000 1.109 1.840) 2.148 3.993 ( 0.000 3.166 -5.765) 6.577 4.064 ( 0.000 2.102 -4.480) 4.949 4.225 ( 0.000 1.414 3.947) 4.193 4.297 ( -0.000 2.785 0.893) 2.925 4.378 ( 0.000 -2.079 6.766) 7.078 4.589 ( 0.000 0.111 0.744) 0.752 4.674 ( 0.000 1.210 -2.755) 3.009 4.807 ( 0.000 1.237 0.511) 1.338 4.899 ( 0.000 1.948 -2.294) 3.010 5.003 ( 0.000 -0.821 4.006) 4.090 5.092 ( 0.000 7.477 6.388) 9.834 5.158 ( -0.000 -0.841 -0.254) 0.879 5.545 ( -0.000 4.372 -5.168) 6.769 5.655 ( 0.000 -4.405 -0.535) 4.437 5.766 ( 0.000 -2.775 -5.068) 5.778 6.780 ( 0.000 1.795 2.966) 3.467 6.865 ( -0.000 -0.538 4.901) 4.931 7.067 ( 0.000 1.399 -4.040) 4.275 7.221 ( 0.000 0.168 -4.448) 4.451 7.299 ( -0.000 7.635 3.703) 8.485 7.421 ( 0.000 -2.877 4.382) 5.242 7.661 ( 0.000 -4.224 -2.668) 4.996 7.684 ( 0.000 -0.361 -4.512) 4.526 7.756 ( 0.000 -2.335 1.119) 2.589 7.793 ( 0.000 1.007 -1.093) 1.486 7.920 ( 0.000 -0.138 2.029) 2.034 8.041 ( 0.000 0.222 -1.203) 1.224 8.445 ( 0.000 -0.414 3.900) 3.921 8.740 ( 0.000 -2.916 -3.682) 4.697 8.773 ( 0.000 -12.336 3.051) 12.708 8.835 ( -0.000 15.402 4.537) 16.057 9.009 ( 0.000 -11.657 -2.823) 11.994 9.200 ( 0.000 10.244 -4.761) 11.296 9.516 ( 0.000 7.311 6.076) 9.506 9.961 ( 0.000 2.282 -4.012) 4.616 10.027 ( 0.000 -4.173 5.809) 7.152 10.383 ( 0.000 -4.371 -0.812) 4.445 10.466 ( 0.000 1.150 4.556) 4.699 10.520 ( -0.000 -16.025 -4.995) 16.786 10.590 ( 0.000 -5.064 -6.929) 8.582 10.755 ( 0.000 -7.923 3.685) 8.738 10.837 ( 0.000 -0.113 -5.295) 5.296 10.942 ( 0.000 -24.114 -1.283) 24.148 11.980 ( 0.000 9.035 3.766) 9.789 12.255 ( 0.000 12.123 -3.083) 12.509 12.540 ( 0.000 -6.335 7.224) 9.608 13.119 ( 0.000 -12.264 -7.498) 14.374 13.335 ( 0.000 19.771 6.682) 20.869 13.948 ( 0.000 19.108 -9.256) 21.232 14.235 ( 0.000 -8.777 5.747) 10.491 14.839 ( -0.000 -8.938 -11.380) 14.470 15.285 ( 0.000 2.775 7.667) 8.153 15.522 ( -0.000 -1.253 14.390) 14.444 15.781 ( -0.000 14.513 -5.283) 15.445 16.351 ( 0.000 2.446 -5.196) 5.743 16.545 ( 0.000 0.174 4.022) 4.026 16.854 ( 0.000 -6.960 3.891) 7.973 16.994 ( 0.000 -2.303 -4.825) 5.347 17.148 ( 0.000 -4.530 -3.396) 5.661 24.456 ( -0.000 0.709 2.392) 2.495 24.588 ( 0.000 -2.459 2.770) 3.704 24.731 ( -0.000 0.341 -6.455) 6.464 24.778 ( 0.000 1.390 -0.240) 1.411 24.932 ( 0.000 1.795 5.267) 5.564 25.077 ( 0.000 -0.801 8.531) 8.568 25.488 ( 0.000 4.190 -6.917) 8.087 25.511 ( -0.000 1.793 -4.265) 4.626 26.998 ( 0.000 0.565 3.019) 3.072 27.198 ( 0.000 -5.750 2.904) 6.441 27.280 ( 0.000 -0.119 -4.914) 4.915 27.426 ( 0.000 -3.859 -2.910) 4.833 27.856 ( 0.000 8.526 5.965) 10.405 28.193 ( 0.000 9.201 -3.229) 9.751 28.264 ( 0.000 -1.477 8.063) 8.198 28.987 ( 0.000 -14.168 -9.803) 17.229 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.000 9.010 5.052) 10.329 1.628 ( 0.000 -3.306 0.732) 3.386 1.822 ( 0.000 18.619 3.141) 18.882 1.980 ( 0.000 7.297 -3.887) 8.268 2.002 ( 0.000 -4.496 -8.899) 9.970 2.274 ( 0.000 -11.093 3.601) 11.662 2.477 ( 0.000 12.183 -8.818) 15.039 2.546 ( 0.000 16.235 -4.192) 16.767 2.638 ( 0.000 2.976 -2.884) 4.144 2.810 ( 0.000 -1.977 -2.574) 3.245 2.846 ( 0.000 -1.332 -7.161) 7.284 2.881 ( 0.000 -5.229 -4.972) 7.215 2.926 ( 0.000 8.349 3.896) 9.213 2.991 ( 0.000 0.758 -0.230) 0.792 3.095 ( 0.000 -9.019 1.846) 9.206 3.124 ( 0.000 -9.111 2.483) 9.444 3.271 ( 0.000 -0.916 6.974) 7.033 3.314 ( 0.000 -6.043 5.932) 8.468 3.507 ( 0.000 19.121 2.018) 19.227 3.592 ( 0.000 -0.198 6.465) 6.468 3.677 ( 0.000 -0.194 6.374) 6.377 3.844 ( 0.000 -3.869 1.590) 4.183 3.959 ( 0.000 1.815 1.250) 2.204 4.010 ( 0.000 3.081 12.240) 12.622 4.040 ( 0.000 -4.869 0.573) 4.902 4.063 ( 0.000 0.425 -0.732) 0.846 4.100 ( 0.000 3.023 -2.717) 4.065 4.234 ( 0.000 -14.751 9.325) 17.452 4.329 ( 0.000 8.262 -1.885) 8.474 4.520 ( 0.000 -8.794 -4.601) 9.925 4.836 ( 0.000 3.451 -7.682) 8.422 4.860 ( 0.000 1.090 -6.424) 6.515 5.019 ( 0.000 0.286 -0.842) 0.889 5.046 ( 0.000 -1.913 2.984) 3.545 5.088 ( 0.000 2.401 -0.045) 2.401 5.135 ( 0.000 -1.587 1.130) 1.948 7.067 ( 0.000 1.410 7.918) 8.042 7.073 ( 0.000 0.666 5.702) 5.741 7.272 ( 0.000 5.546 4.313) 7.026 7.386 ( 0.000 -4.908 4.234) 6.482 7.408 ( 0.000 2.666 -1.666) 3.144 7.504 ( 0.000 -6.806 -1.408) 6.950 7.776 ( 0.000 4.420 -7.602) 8.794 7.854 ( 0.000 -3.185 -6.097) 6.879 7.916 ( 0.000 2.842 1.940) 3.441 7.965 ( 0.000 -1.144 2.495) 2.745 8.082 ( 0.000 8.283 -3.337) 8.930 8.273 ( 0.000 -9.636 -7.299) 12.089 8.464 ( 0.000 4.189 2.300) 4.779 8.590 ( 0.000 -7.831 2.959) 8.372 8.629 ( 0.000 4.437 -2.024) 4.877 8.769 ( 0.000 -9.701 -2.190) 9.945 9.381 ( 0.000 19.602 1.030) 19.630 9.471 ( 0.000 14.102 -2.333) 14.293 9.560 ( 0.000 2.838 1.149) 3.062 9.697 ( 0.000 -8.974 -5.010) 10.278 9.722 ( 0.000 -2.668 6.955) 7.449 9.929 ( 0.000 -20.019 7.022) 21.215 10.452 ( 0.000 2.029 -11.125) 11.309 10.546 ( 0.000 -6.971 -8.861) 11.275 10.820 ( 0.000 2.053 4.572) 5.012 10.893 ( 0.000 -4.564 5.401) 7.071 10.951 ( 0.000 3.118 -0.447) 3.150 11.082 ( 0.000 -8.287 -0.908) 8.337 12.335 ( 0.000 11.989 8.798) 14.871 12.561 ( 0.000 -9.405 6.205) 11.267 13.054 ( 0.000 2.180 -10.599) 10.821 13.088 ( 0.000 -0.916 -7.064) 7.123 14.092 ( 0.000 15.504 8.726) 17.791 14.396 ( 0.000 -13.842 7.129) 15.570 14.709 ( 0.000 16.079 -9.645) 18.750 14.968 ( 0.000 -8.127 -7.490) 11.052 15.175 ( 0.000 -0.888 10.000) 10.040 15.209 ( 0.000 -4.372 4.832) 6.517 15.628 ( 0.000 5.531 -5.565) 7.846 15.753 ( 0.000 -6.328 -6.719) 9.230 16.354 ( 0.000 3.194 5.632) 6.474 16.422 ( 0.000 -3.262 7.392) 8.080 16.728 ( 0.000 8.680 -4.123) 9.610 16.891 ( 0.000 -6.854 -4.874) 8.410 24.498 ( 0.000 2.459 2.324) 3.383 24.555 ( 0.000 -2.935 1.856) 3.472 24.708 ( 0.000 0.191 -4.176) 4.181 24.717 ( 0.000 -0.420 -3.771) 3.795 25.049 ( 0.000 2.576 13.847) 14.085 25.087 ( 0.000 -1.099 11.447) 11.499 25.907 ( 0.000 6.427 -10.618) 12.412 26.030 ( 0.000 -4.912 -13.788) 14.637 27.244 ( 0.000 -1.170 3.422) 3.617 27.249 ( 0.000 -1.584 4.389) 4.666 27.464 ( 0.000 1.109 -2.603) 2.829 27.511 ( 0.000 -3.123 -3.272) 4.524 27.870 ( 0.000 3.159 9.458) 9.972 27.905 ( 0.000 0.215 5.884) 5.888 28.324 ( 0.000 8.641 -4.717) 9.844 28.491 ( 0.000 -7.777 -6.903) 10.399 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 3.368 8.648 3.385) 9.878 1.661 ( 2.879 -3.328 0.381) 4.417 1.859 ( 0.888 8.985 -0.800) 9.065 1.915 ( -5.561 0.375 -6.605) 8.642 2.050 ( 4.787 11.488 -0.389) 12.452 2.355 ( 4.637 -11.179 2.991) 12.467 2.468 ( -0.484 9.329 -5.589) 10.886 2.543 ( -0.050 15.248 -3.508) 15.646 2.604 ( -2.843 3.490 -2.497) 5.148 2.750 ( -3.689 0.023 -3.176) 4.868 2.837 ( -3.438 -0.417 -2.151) 4.077 2.884 ( 3.883 -6.914 -4.741) 9.239 2.994 ( 4.270 3.315 1.465) 5.601 3.072 ( 7.709 0.617 -1.356) 7.852 3.162 ( 5.696 -5.996 3.095) 8.830 3.201 ( 6.168 -9.246 0.811) 11.144 3.354 ( 7.145 -1.096 5.981) 9.382 3.367 ( 4.217 -2.019 8.042) 9.302 3.558 ( 2.940 8.253 2.103) 9.010 3.658 ( 8.785 2.981 2.701) 9.662 3.698 ( 0.725 1.949 3.014) 3.661 3.836 ( 0.157 -2.166 2.598) 3.386 3.985 ( 2.414 3.406 7.665) 8.729 4.080 ( 5.146 0.311 0.288) 5.163 4.112 ( 2.295 1.414 -0.429) 2.729 4.120 ( 7.542 3.720 3.616) 9.154 4.173 ( 8.227 -3.149 1.381) 8.917 4.342 ( 10.289 -13.523 6.242) 18.102 4.387 ( 6.356 7.914 -2.162) 10.378 4.566 ( 4.705 -8.249 -4.619) 10.560 4.803 ( -1.932 5.024 -6.994) 8.825 4.876 ( 0.559 -1.238 -6.582) 6.721 4.991 ( -0.884 4.300 2.496) 5.050 5.074 ( 0.660 -1.805 2.038) 2.801 5.094 ( 2.180 0.728 -0.080) 2.300 5.158 ( 2.254 -3.724 -0.160) 4.356 6.995 ( -4.929 3.250 6.621) 8.871 7.036 ( -3.059 -0.760 5.294) 6.161 7.330 ( 3.060 4.221 3.430) 6.241 7.394 ( -1.023 1.897 -1.329) 2.533 7.414 ( 1.635 -2.818 3.662) 4.901 7.452 ( -4.376 -4.433 -2.203) 6.607 7.765 ( -1.732 2.566 -5.985) 6.738 7.830 ( -2.702 -3.281 -5.439) 6.903 7.887 ( -2.652 2.747 1.502) 4.103 7.937 ( -2.059 -0.835 2.112) 3.066 8.047 ( -3.056 6.416 -3.366) 7.864 8.169 ( -5.797 -3.623 -4.833) 8.372 8.465 ( -0.027 3.713 3.130) 4.856 8.590 ( 0.091 -8.169 2.820) 8.643 8.711 ( 4.689 -1.925 -2.987) 5.884 8.788 ( 1.518 -8.357 -2.744) 8.926 9.378 ( -0.523 21.026 1.703) 21.101 9.498 ( 2.089 14.662 -2.894) 15.090 9.580 ( 1.993 4.569 1.979) 5.363 9.738 ( 3.506 -9.347 -4.376) 10.900 9.759 ( 3.060 -4.390 6.419) 8.357 9.932 ( 0.071 -20.359 6.385) 21.337 10.436 ( -1.008 1.394 -9.650) 9.802 10.538 ( -1.063 -9.047 -8.738) 12.622 10.770 ( -4.540 1.687 4.411) 6.551 10.828 ( -5.519 -3.089 4.401) 7.705 10.931 ( -2.209 2.395 -0.256) 3.268 11.044 ( -3.607 -7.327 -1.544) 8.312 12.314 ( -1.946 11.826 8.016) 14.419 12.536 ( -2.232 -9.291 6.016) 11.291 12.953 ( -8.409 5.756 -8.696) 13.397 13.054 ( -3.349 -3.953 -6.887) 8.618 13.991 ( -7.896 15.870 7.534) 19.260 14.293 ( -8.003 -13.318 6.671) 16.909 14.605 ( -7.632 15.582 -10.158) 20.105 14.893 ( -7.202 -12.049 -10.383) 17.461 15.244 ( 4.895 -0.056 9.970) 11.107 15.253 ( 5.530 -0.798 10.365) 11.775 15.814 ( 14.428 4.101 -6.501) 16.348 15.904 ( 10.490 -4.289 -7.709) 13.706 16.398 ( 4.010 1.650 5.481) 6.989 16.442 ( 2.134 -2.392 7.093) 7.784 16.754 ( 2.818 6.980 -3.839) 8.450 16.896 ( 0.493 -6.348 -4.742) 7.939 24.496 ( -0.204 2.402 2.389) 3.394 24.552 ( -0.294 -2.901 1.930) 3.496 24.713 ( 0.472 0.394 -4.331) 4.374 24.725 ( 0.755 -0.598 -4.055) 4.167 25.041 ( -0.750 2.719 13.032) 13.333 25.082 ( -0.475 -1.244 11.103) 11.182 25.851 ( -5.218 5.304 -9.778) 12.287 25.938 ( -7.679 -2.496 -11.819) 14.314 27.192 ( -3.885 0.335 3.556) 5.278 27.221 ( -2.774 -2.544 3.826) 5.367 27.438 ( -2.369 0.505 -3.447) 4.213 27.480 ( -2.633 -3.468 -3.132) 5.364 27.903 ( 2.795 4.240 8.442) 9.851 27.961 ( 4.711 -0.922 6.261) 7.889 28.371 ( 3.315 6.933 -4.819) 9.071 28.519 ( 2.812 -7.275 -6.861) 10.388 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 4.628 7.089 -0.399) 8.476 1.729 ( 3.052 -2.453 -0.979) 4.036 1.773 ( -6.244 5.426 -3.972) 9.176 1.853 ( -1.646 -1.814 -2.266) 3.337 2.129 ( 1.662 12.186 1.614) 12.404 2.343 ( -3.245 -4.496 1.392) 5.717 2.470 ( -1.338 1.720 -2.753) 3.511 2.549 ( -1.388 3.042 -2.730) 4.317 2.592 ( 4.312 14.538 -1.685) 15.257 2.741 ( 2.445 0.143 -3.142) 3.983 2.806 ( 0.242 2.842 0.898) 2.990 2.934 ( 1.311 -12.628 -3.391) 13.141 3.041 ( 0.771 4.327 3.318) 5.507 3.228 ( 4.015 -3.591 2.447) 5.916 3.256 ( 2.648 -1.681 8.374) 8.942 3.353 ( 6.540 -5.914 -1.034) 8.878 3.450 ( 4.753 1.133 2.467) 5.473 3.504 ( 4.445 -4.820 6.799) 9.446 3.653 ( 5.465 3.245 1.310) 6.490 3.692 ( 0.359 0.532 -0.052) 0.644 3.843 ( 3.742 2.928 0.185) 4.755 3.913 ( 8.720 -1.836 -3.189) 9.465 4.102 ( 7.393 8.588 7.731) 13.718 4.152 ( 3.366 1.632 -3.343) 5.017 4.171 ( 1.567 -0.260 -3.554) 3.892 4.276 ( 7.539 -5.713 9.232) 13.217 4.427 ( 12.838 3.883 2.380) 13.622 4.497 ( 6.325 1.033 -1.184) 6.517 4.677 ( 15.223 -2.305 1.371) 15.458 4.726 ( 10.295 -5.156 -4.460) 12.348 4.800 ( 2.990 7.233 -4.769) 9.165 4.897 ( 2.798 -0.770 -3.196) 4.317 5.005 ( 2.291 5.501 4.637) 7.550 5.124 ( 6.222 -4.187 2.291) 7.841 5.194 ( 7.830 -0.688 -0.730) 7.894 5.256 ( 8.767 -5.418 -1.967) 10.492 6.902 ( -3.718 4.002 4.881) 7.325 6.963 ( -3.671 -1.885 4.582) 6.166 7.319 ( -4.488 1.416 -4.160) 6.281 7.324 ( -5.604 1.175 -4.583) 7.334 7.400 ( 0.283 1.976 3.845) 4.332 7.431 ( -0.616 -2.008 3.889) 4.420 7.694 ( -4.399 -0.506 -3.324) 5.537 7.731 ( -5.887 -3.922 -3.801) 8.030 7.825 ( -2.614 3.572 1.775) 4.769 7.912 ( -0.338 -2.258 1.503) 2.733 7.991 ( -1.719 6.860 -3.270) 7.792 8.105 ( -1.548 -2.069 -3.291) 4.184 8.463 ( -0.236 2.872 3.943) 4.883 8.583 ( -0.868 -8.992 3.187) 9.579 8.762 ( 0.012 -3.704 -2.716) 4.593 8.814 ( 0.407 -7.219 -3.794) 8.166 9.356 ( -1.554 23.943 2.453) 24.118 9.532 ( 0.955 17.407 -3.353) 17.752 9.635 ( 2.809 7.116 3.689) 8.493 9.822 ( 3.923 -10.870 -1.935) 11.717 9.826 ( 3.086 -7.606 4.925) 9.572 9.925 ( -0.669 -21.725 4.370) 22.170 10.424 ( -0.229 -1.287 -7.638) 7.749 10.495 ( -2.917 -9.678 -8.046) 12.919 10.658 ( -5.367 -0.437 4.339) 6.916 10.689 ( -7.171 -2.048 4.188) 8.553 10.868 ( -3.383 2.148 -2.073) 4.512 10.943 ( -5.496 -4.762 -2.628) 7.732 12.261 ( -2.810 11.287 6.307) 13.232 12.475 ( -3.327 -9.033 5.635) 11.154 12.758 ( -9.205 10.822 -6.188) 15.497 12.964 ( -4.729 -9.030 -6.344) 12.006 13.832 ( -6.366 16.208 6.541) 18.601 14.134 ( -6.375 -12.962 6.170) 15.707 14.455 ( -6.291 15.158 -10.774) 19.632 14.740 ( -6.320 -12.326 -11.007) 17.692 15.336 ( 2.716 2.009 11.807) 12.281 15.371 ( 5.139 -1.013 12.126) 13.209 16.047 ( 5.130 5.429 -7.654) 10.695 16.124 ( 10.699 -2.261 -9.037) 14.186 16.482 ( 3.539 1.538 6.854) 7.865 16.533 ( 6.241 -3.282 5.113) 8.710 16.856 ( 6.646 1.439 -3.511) 7.653 16.916 ( 1.587 -4.023 -4.398) 6.168 24.490 ( -0.268 2.241 2.522) 3.385 24.544 ( -0.420 -2.814 2.171) 3.579 24.726 ( 0.732 0.727 -4.881) 4.989 24.745 ( 1.032 -0.882 -4.370) 4.576 25.021 ( -1.067 3.006 11.155) 11.602 25.069 ( -0.723 -1.587 10.210) 10.358 25.707 ( -7.688 4.462 -7.726) 11.777 25.766 ( -7.994 -1.016 -8.832) 11.955 27.108 ( -3.743 1.383 3.317) 5.189 27.157 ( -2.954 -3.372 3.364) 5.605 27.375 ( -3.293 0.489 -3.990) 5.196 27.418 ( -2.978 -3.648 -3.362) 5.786 27.968 ( 3.072 6.415 6.978) 9.964 28.071 ( 5.181 -3.075 6.319) 8.731 28.417 ( 0.944 7.919 -4.773) 9.294 28.599 ( 4.200 -9.565 -6.692) 12.406 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -3.059 7.243 -2.486) 8.246 1.713 ( 2.931 4.640 -4.292) 6.968 1.781 ( 1.466 -1.345 -2.511) 3.204 1.814 ( -1.937 -5.865 -2.128) 6.533 2.131 ( -0.656 8.738 2.484) 9.108 2.300 ( -0.671 -5.254 4.105) 6.701 2.435 ( -1.321 6.494 -3.480) 7.485 2.543 ( 0.249 2.450 -3.165) 4.010 2.673 ( 3.250 11.309 -1.430) 11.854 2.811 ( 0.962 2.099 2.024) 3.071 2.822 ( 3.408 -2.233 -4.490) 6.064 2.945 ( -0.335 -12.126 -3.240) 12.556 3.052 ( 0.691 10.682 6.574) 12.562 3.218 ( -3.574 0.609 11.882) 12.423 3.283 ( 0.798 -1.795 4.430) 4.846 3.457 ( 3.209 -8.779 1.318) 9.440 3.531 ( 2.022 0.655 -0.257) 2.141 3.542 ( 0.393 -4.222 4.491) 6.177 3.719 ( 3.079 1.185 0.258) 3.309 3.751 ( 2.819 -1.723 1.214) 3.520 3.923 ( 3.274 4.507 -4.954) 7.454 4.002 ( 0.540 -2.595 -4.595) 5.305 4.166 ( -1.125 2.463 -4.461) 5.219 4.198 ( 2.047 0.377 0.880) 2.260 4.267 ( 5.468 4.338 3.425) 7.775 4.369 ( 0.957 -4.221 6.534) 7.837 4.589 ( 3.310 1.804 -1.330) 3.998 4.618 ( 4.497 -0.431 -0.768) 4.583 4.850 ( 1.458 2.446 -0.344) 2.869 4.897 ( 5.748 -1.493 1.427) 6.108 4.921 ( 5.215 4.660 -2.643) 7.477 5.023 ( 6.148 -4.318 -1.733) 7.711 5.133 ( 10.611 10.165 6.468) 16.054 5.347 ( 12.525 -9.378 3.477) 16.029 5.440 ( 14.931 3.895 -2.632) 15.654 5.541 ( 15.151 -4.925 -2.610) 16.144 6.843 ( -1.861 2.964 3.307) 4.815 6.890 ( -3.077 -1.484 3.827) 5.130 7.182 ( -5.789 3.319 -5.048) 8.367 7.236 ( -4.180 -1.705 -5.374) 7.018 7.390 ( -0.835 0.822 3.729) 3.909 7.405 ( -1.388 -1.057 3.211) 3.655 7.617 ( -2.554 -1.961 -2.444) 4.043 7.634 ( -2.955 -3.787 -2.660) 5.491 7.783 ( -1.508 5.421 2.024) 5.980 7.901 ( -1.013 -3.220 1.525) 3.704 7.955 ( -2.030 6.718 -2.681) 7.512 8.063 ( -2.659 -2.191 -2.190) 4.083 8.454 ( -0.503 2.003 3.727) 4.261 8.560 ( -1.043 -8.592 3.175) 9.219 8.725 ( -2.852 -1.464 -2.757) 4.228 8.802 ( -1.049 -7.963 -3.130) 8.620 9.323 ( -1.322 26.467 2.963) 26.665 9.543 ( 0.259 19.935 -3.489) 20.239 9.678 ( 1.085 9.027 5.586) 10.670 9.870 ( 1.234 -8.791 5.871) 10.643 9.892 ( 2.358 -17.069 -1.253) 17.276 9.914 ( -0.058 -21.460 1.077) 21.487 10.398 ( -2.560 -3.296 -7.550) 8.627 10.449 ( -0.910 -6.309 -6.684) 9.236 10.550 ( -4.496 0.114 4.494) 6.358 10.586 ( -2.257 -5.672 3.892) 7.240 10.802 ( -2.800 1.769 -3.141) 4.564 10.847 ( -3.017 -2.279 -3.938) 5.459 12.208 ( -2.009 10.573 4.785) 11.778 12.411 ( -2.474 -8.800 5.378) 10.605 12.600 ( -5.461 13.782 -4.897) 15.612 12.878 ( -3.211 -12.854 -6.124) 14.596 13.738 ( -2.738 16.412 6.289) 17.788 14.040 ( -2.732 -12.811 5.969) 14.395 14.352 ( -3.474 15.791 -10.460) 19.257 14.644 ( -2.903 -12.479 -11.090) 16.945 15.363 ( 0.338 4.057 11.585) 12.280 15.445 ( 1.971 -3.283 13.655) 14.182 16.090 ( 0.236 12.021 -8.021) 14.453 16.281 ( 4.371 -5.569 -9.644) 11.964 16.549 ( 2.630 3.532 6.761) 8.068 16.654 ( 4.582 -6.133 4.981) 9.134 16.958 ( 2.016 -0.199 -4.142) 4.611 16.992 ( 5.348 -3.164 -3.632) 7.198 24.486 ( -0.168 2.045 2.608) 3.319 24.536 ( -0.293 -2.719 2.535) 3.729 24.740 ( 0.538 1.008 -5.421) 5.540 24.764 ( 0.769 -1.140 -4.428) 4.636 25.001 ( -0.771 3.208 9.369) 9.933 25.055 ( -0.569 -1.917 9.208) 9.422 25.575 ( -4.231 3.432 -6.058) 8.148 25.619 ( -5.728 -0.737 -6.789) 8.913 27.046 ( -2.064 1.947 3.122) 4.219 27.108 ( -1.622 -4.078 3.122) 5.385 27.316 ( -2.128 1.203 -4.062) 4.741 27.366 ( -1.843 -3.564 -3.494) 5.321 28.021 ( 1.834 8.123 5.847) 10.175 28.160 ( 3.074 -4.870 6.181) 8.448 28.422 ( -0.186 10.995 -4.437) 11.858 28.669 ( 2.244 -12.787 -6.474) 14.507 ======================= Grid point 94 (40/60) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 7.594 -1.897) 7.827 1.755 ( 0.000 3.206 -6.569) 7.309 1.778 ( 0.000 -4.322 -2.443) 4.965 1.798 ( 0.000 -3.223 -2.666) 4.183 2.123 ( 0.000 8.079 3.223) 8.698 2.297 ( 0.000 -7.280 6.005) 9.437 2.422 ( 0.000 9.734 -4.296) 10.640 2.546 ( 0.000 1.348 -3.074) 3.357 2.715 ( -0.000 9.045 -1.545) 9.176 2.806 ( 0.000 2.610 -0.304) 2.627 2.891 ( -0.000 -5.618 -2.277) 6.062 2.923 ( 0.000 -10.537 -5.355) 11.820 3.067 ( -0.000 17.827 8.846) 19.901 3.163 ( 0.000 1.568 12.215) 12.315 3.291 ( 0.000 -3.799 5.573) 6.745 3.484 ( 0.000 -15.425 4.761) 16.143 3.546 ( 0.000 1.670 1.542) 2.273 3.551 ( -0.000 0.949 -0.371) 1.019 3.772 ( -0.000 0.199 2.078) 2.088 3.773 ( 0.000 -0.410 -2.267) 2.304 3.960 ( -0.000 1.574 -3.737) 4.054 3.995 ( 0.000 -1.533 -6.325) 6.508 4.149 ( 0.000 4.340 -3.864) 5.811 4.216 ( 0.000 -2.024 -1.389) 2.455 4.343 ( -0.000 1.110 5.358) 5.472 4.354 ( 0.000 -0.482 5.996) 6.016 4.619 ( 0.000 2.270 -1.380) 2.657 4.662 ( -0.000 -1.588 -1.982) 2.540 4.864 ( 0.000 3.786 0.727) 3.855 4.949 ( 0.000 -3.910 2.313) 4.543 4.971 ( 0.000 4.978 -2.368) 5.513 5.085 ( 0.000 -5.420 -1.600) 5.651 5.284 ( 0.000 10.602 6.401) 12.384 5.502 ( 0.000 -9.805 4.195) 10.665 5.643 ( -0.000 4.683 -3.318) 5.739 5.720 ( 0.000 -2.597 -2.668) 3.723 6.824 ( 0.000 2.033 2.540) 3.253 6.853 ( 0.000 -0.799 3.475) 3.566 7.115 ( 0.000 3.222 -4.748) 5.738 7.185 ( -0.000 -3.015 -5.785) 6.523 7.381 ( 0.000 -0.647 3.091) 3.158 7.388 ( -0.000 0.054 3.606) 3.607 7.591 ( 0.000 -1.946 -2.592) 3.241 7.605 ( -0.000 -3.609 -2.496) 4.388 7.765 ( 0.000 5.598 2.202) 6.015 7.884 ( 0.000 -3.956 2.106) 4.482 7.926 ( 0.000 6.922 -2.780) 7.460 8.023 ( 0.000 -2.400 -1.610) 2.890 8.448 ( 0.000 1.717 3.425) 3.832 8.548 ( 0.000 -8.381 3.128) 8.946 8.686 ( 0.000 0.790 -2.567) 2.685 8.789 ( 0.000 -8.685 -2.799) 9.125 9.308 ( 0.000 27.350 3.177) 27.534 9.546 ( 0.000 20.620 -3.570) 20.927 9.686 ( 0.000 9.114 6.293) 11.075 9.881 ( 0.000 -9.067 5.881) 10.807 9.912 ( 0.000 -30.025 1.300) 30.053 9.922 ( 0.000 -10.746 -2.262) 10.981 10.365 ( 0.000 -2.265 -7.407) 7.745 10.435 ( 0.000 -6.306 -5.376) 8.287 10.509 ( 0.000 0.523 3.087) 3.131 10.563 ( 0.000 -7.123 3.945) 8.142 10.769 ( 0.000 2.275 -2.975) 3.745 10.818 ( 0.000 -1.898 -4.753) 5.118 12.186 ( 0.000 10.226 4.182) 11.048 12.384 ( 0.000 -8.706 5.312) 10.199 12.542 ( 0.000 14.698 -4.550) 15.386 12.842 ( 0.000 -14.229 -6.094) 15.479 13.711 ( 0.000 16.505 6.229) 17.642 14.013 ( 0.000 -12.726 5.914) 14.033 14.315 ( 0.000 16.259 -10.115) 19.149 14.615 ( 0.000 -12.761 -11.043) 16.875 15.365 ( 0.000 4.714 11.371) 12.309 15.463 ( 0.000 -4.275 14.089) 14.723 16.089 ( 0.000 14.338 -8.039) 16.438 16.323 ( 0.000 -6.954 -9.815) 12.029 16.578 ( 0.000 4.255 6.684) 7.924 16.704 ( 0.000 -7.164 5.057) 8.769 16.982 ( 0.000 1.605 -4.088) 4.392 17.051 ( 0.000 -4.525 -3.741) 5.871 24.484 ( -0.000 1.955 2.622) 3.271 24.533 ( 0.000 -2.676 2.735) 3.826 24.746 ( 0.000 1.130 -5.613) 5.726 24.773 ( 0.000 -1.258 -4.398) 4.575 24.992 ( 0.000 3.259 8.640) 9.234 25.048 ( 0.000 -2.047 8.752) 8.988 25.543 ( 0.000 1.078 -5.252) 5.362 25.544 ( -0.000 1.190 -6.285) 6.397 27.025 ( 0.000 2.147 3.043) 3.724 27.091 ( 0.000 -4.337 3.052) 5.303 27.293 ( 0.000 1.550 -4.058) 4.344 27.346 ( 0.000 -3.520 -3.494) 4.960 28.041 ( 0.000 8.731 5.427) 10.280 28.192 ( 0.000 -5.580 6.118) 8.280 28.418 ( 0.000 12.334 -4.268) 13.051 28.692 ( 0.000 -13.994 -6.359) 15.371 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 0.000 24.140) 24.140 1.041 ( 0.000 0.000 27.040) 27.040 1.391 ( 0.000 0.000 -12.998) 12.998 1.515 ( 0.000 0.000 -22.840) 22.840 1.705 ( 0.000 0.000 11.962) 11.962 1.782 ( 0.000 0.000 6.849) 6.849 1.806 ( 0.000 0.000 -2.783) 2.783 1.903 ( 0.000 0.000 -6.202) 6.202 2.214 ( 0.000 0.000 28.372) 28.372 2.772 ( 0.000 0.000 -21.694) 21.694 2.774 ( 0.000 0.000 5.830) 5.830 2.884 ( 0.000 0.000 -5.778) 5.778 2.929 ( 0.000 0.000 2.333) 2.333 3.000 ( 0.000 0.000 -5.893) 5.893 3.102 ( 0.000 0.000 -1.566) 1.566 3.143 ( 0.000 0.000 -8.268) 8.268 3.525 ( 0.000 0.000 8.828) 8.828 3.561 ( 0.000 0.000 6.511) 6.511 3.710 ( 0.000 0.000 -4.752) 4.752 3.746 ( 0.000 0.000 -9.584) 9.584 3.769 ( 0.000 0.000 4.408) 4.408 3.845 ( 0.000 0.000 -2.779) 2.779 3.890 ( 0.000 0.000 1.200) 1.200 3.910 ( 0.000 0.000 -1.207) 1.207 4.093 ( 0.000 0.000 13.632) 13.632 4.256 ( 0.000 0.000 6.716) 6.716 4.286 ( 0.000 0.000 -5.000) 5.000 4.380 ( 0.000 0.000 -6.102) 6.102 4.736 ( 0.000 0.000 0.059) 0.059 4.746 ( 0.000 0.000 -1.135) 1.135 4.872 ( 0.000 0.000 4.817) 4.817 4.974 ( 0.000 0.000 -6.004) 6.004 4.995 ( 0.000 0.000 2.799) 2.799 5.026 ( 0.000 0.000 1.550) 1.550 5.046 ( 0.000 0.000 -0.423) 0.423 5.079 ( 0.000 0.000 -7.007) 7.007 6.916 ( 0.000 0.000 4.335) 4.335 7.002 ( 0.000 0.000 -4.594) 4.594 7.159 ( 0.000 0.000 11.331) 11.331 7.200 ( 0.000 0.000 6.270) 6.270 7.313 ( 0.000 0.000 -5.716) 5.716 7.369 ( 0.000 0.000 -10.365) 10.365 7.812 ( 0.000 0.000 1.884) 1.884 7.834 ( 0.000 0.000 3.593) 3.593 7.846 ( 0.000 0.000 -1.583) 1.583 7.903 ( 0.000 0.000 -3.461) 3.461 8.270 ( 0.000 0.000 8.325) 8.325 8.414 ( 0.000 0.000 -6.705) 6.705 8.446 ( 0.000 0.000 2.927) 2.927 8.500 ( 0.000 0.000 -2.802) 2.802 8.781 ( 0.000 0.000 6.259) 6.259 8.888 ( 0.000 0.000 -4.805) 4.805 9.136 ( 0.000 0.000 9.376) 9.376 9.331 ( 0.000 0.000 -10.768) 10.768 9.546 ( 0.000 0.000 1.061) 1.061 9.565 ( 0.000 0.000 -0.880) 0.880 10.014 ( 0.000 0.000 8.833) 8.833 10.216 ( 0.000 0.000 -12.166) 12.166 10.585 ( 0.000 0.000 0.281) 0.281 10.588 ( 0.000 0.000 -0.014) 0.014 11.163 ( 0.000 0.000 4.549) 4.549 11.245 ( 0.000 0.000 7.653) 7.653 11.252 ( 0.000 0.000 -4.625) 4.625 11.378 ( 0.000 0.000 -6.287) 6.287 12.598 ( 0.000 0.000 -0.077) 0.077 12.600 ( 0.000 0.000 -0.314) 0.314 12.899 ( 0.000 0.000 4.701) 4.701 12.989 ( 0.000 0.000 -4.616) 4.616 13.377 ( 0.000 0.000 9.851) 9.851 13.561 ( 0.000 0.000 -9.313) 9.313 15.016 ( 0.000 0.000 8.248) 8.248 15.176 ( 0.000 0.000 -8.206) 8.206 15.207 ( 0.000 0.000 8.656) 8.656 15.394 ( 0.000 0.000 -11.250) 11.250 15.947 ( 0.000 0.000 1.134) 1.134 15.976 ( 0.000 0.000 -1.949) 1.949 16.287 ( 0.000 0.000 1.757) 1.757 16.311 ( 0.000 0.000 -0.695) 0.695 16.748 ( 0.000 0.000 11.898) 11.898 16.949 ( 0.000 0.000 -9.355) 9.355 24.531 ( 0.000 0.000 5.766) 5.766 24.647 ( 0.000 0.000 -6.366) 6.366 24.680 ( 0.000 0.000 1.706) 1.706 24.728 ( 0.000 0.000 -3.401) 3.401 25.258 ( 0.000 0.000 4.498) 4.498 25.275 ( 0.000 0.000 10.925) 10.925 25.327 ( 0.000 0.000 -2.830) 2.830 25.480 ( 0.000 0.000 -10.517) 10.517 27.474 ( 0.000 0.000 5.400) 5.400 27.567 ( 0.000 0.000 1.050) 1.050 27.576 ( 0.000 0.000 -0.003) 0.003 27.585 ( 0.000 0.000 -6.188) 6.188 27.687 ( 0.000 0.000 1.579) 1.579 27.725 ( 0.000 0.000 -2.219) 2.219 28.444 ( 0.000 0.000 6.759) 6.759 28.565 ( 0.000 0.000 -5.973) 5.973 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 11.620 0.000 18.245) 21.631 1.191 ( 7.787 0.000 16.334) 18.096 1.473 ( 8.692 0.000 -6.774) 11.019 1.525 ( -0.909 0.000 -12.493) 12.526 1.774 ( 0.532 0.000 7.921) 7.939 1.803 ( 7.309 0.000 3.252) 8.000 1.878 ( 6.548 0.000 -4.414) 7.897 1.897 ( -0.006 0.000 -6.550) 6.550 2.334 ( 10.856 0.000 30.380) 32.262 2.770 ( 1.002 0.000 1.435) 1.750 2.827 ( 0.688 0.000 -14.168) 14.185 2.838 ( 1.223 0.000 -4.591) 4.751 3.021 ( 0.123 0.000 2.486) 2.489 3.127 ( 8.937 0.000 -4.272) 9.906 3.163 ( 7.931 0.000 -10.475) 13.139 3.165 ( 9.629 0.000 -3.417) 10.218 3.521 ( -0.223 0.000 11.005) 11.007 3.604 ( 3.705 0.000 3.376) 5.012 3.696 ( 0.814 0.000 -4.037) 4.118 3.731 ( 0.920 0.000 -8.107) 8.159 3.787 ( -3.093 0.000 2.226) 3.811 3.822 ( 0.149 0.000 -2.132) 2.137 3.955 ( 3.314 0.000 3.043) 4.499 3.989 ( 3.253 0.000 1.461) 3.566 4.240 ( 13.587 0.000 6.432) 15.033 4.279 ( 7.191 0.000 3.650) 8.064 4.397 ( 0.702 0.000 0.585) 0.914 4.426 ( 9.783 0.000 -2.243) 10.037 4.615 ( -12.762 0.000 6.339) 14.250 4.696 ( -5.578 0.000 -2.494) 6.110 4.792 ( -1.176 0.000 0.160) 1.187 4.810 ( -4.496 0.000 -1.277) 4.674 4.992 ( -0.691 0.000 -2.848) 2.931 5.004 ( 0.521 0.000 -3.364) 3.405 5.100 ( 2.633 0.000 3.888) 4.696 5.210 ( 7.022 0.000 -7.841) 10.525 6.854 ( -4.192 0.000 5.839) 7.188 6.963 ( -2.847 0.000 -5.508) 6.200 7.157 ( -0.558 0.000 10.844) 10.858 7.223 ( 1.312 0.000 5.935) 6.078 7.308 ( -0.884 0.000 -5.499) 5.570 7.383 ( 0.990 0.000 -10.127) 10.176 7.772 ( -2.858 0.000 1.214) 3.105 7.779 ( -2.323 0.000 0.368) 2.352 7.911 ( 3.055 0.000 0.779) 3.153 7.939 ( 2.316 0.000 -1.924) 3.011 8.052 ( -12.319 0.000 4.528) 13.125 8.084 ( -9.179 0.000 0.551) 9.196 8.689 ( -5.889 0.000 8.393) 10.253 8.700 ( 13.667 0.000 11.829) 18.075 8.826 ( -4.895 0.000 -5.673) 7.493 8.900 ( 13.549 0.000 -5.934) 14.791 9.308 ( 9.103 0.000 -3.400) 9.717 9.399 ( 4.994 0.000 -9.115) 10.394 9.554 ( -0.688 0.000 -0.148) 0.703 9.565 ( 3.409 0.000 -2.247) 4.083 10.034 ( 1.837 0.000 8.747) 8.938 10.230 ( 1.513 0.000 -11.639) 11.737 10.551 ( -2.964 0.000 0.614) 3.027 10.559 ( -2.377 0.000 -0.323) 2.399 11.160 ( -7.767 0.000 6.949) 10.422 11.200 ( 2.291 0.000 4.035) 4.640 11.298 ( -6.384 0.000 -5.502) 8.427 11.301 ( 4.084 0.000 -4.495) 6.073 12.359 ( -15.346 0.000 5.866) 16.429 12.438 ( -11.315 0.000 -3.174) 11.751 12.992 ( 3.124 0.000 6.638) 7.336 13.098 ( 6.853 0.000 -4.586) 8.246 13.248 ( -10.407 0.000 8.611) 13.508 13.423 ( -9.140 0.000 -9.671) 13.306 14.941 ( -8.736 0.000 9.771) 13.106 15.147 ( -7.794 0.000 -11.612) 13.985 15.270 ( 8.146 0.000 8.594) 11.841 15.402 ( 3.985 0.000 -4.047) 5.679 15.878 ( -6.195 0.000 1.291) 6.328 15.939 ( -1.705 0.000 -6.434) 6.657 16.466 ( 14.536 0.000 2.826) 14.808 16.519 ( 16.096 0.000 -2.719) 16.324 16.757 ( 0.503 0.000 11.409) 11.420 16.953 ( 0.129 0.000 -9.141) 9.142 24.529 ( -0.226 0.000 5.520) 5.525 24.640 ( -0.739 0.000 -6.172) 6.216 24.679 ( 0.022 0.000 1.676) 1.676 24.718 ( -0.421 0.000 -2.190) 2.230 25.153 ( -6.033 0.000 8.500) 10.423 25.273 ( -3.882 0.000 -4.621) 6.035 25.294 ( -0.183 0.000 10.801) 10.802 25.494 ( 0.335 0.000 -10.184) 10.189 27.293 ( -8.545 0.000 2.953) 9.041 27.347 ( -8.679 0.000 -2.565) 9.050 27.574 ( -2.226 0.000 1.555) 2.716 27.604 ( -1.416 0.000 -1.544) 2.095 27.868 ( 12.213 0.000 6.074) 13.640 27.921 ( 4.317 0.000 2.118) 4.809 28.490 ( -5.829 0.000 -2.026) 6.171 28.544 ( 9.951 0.000 -10.242) 14.280 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 1.875 0.000 5.078) 5.413 1.345 ( 1.072 0.000 -1.017) 1.478 1.590 ( 12.296 0.000 8.350) 14.863 1.707 ( 11.488 0.000 3.709) 12.071 1.792 ( 3.265 0.000 2.955) 4.404 1.900 ( 0.990 0.000 -4.529) 4.636 1.976 ( 7.192 0.000 0.116) 7.193 2.021 ( 5.562 0.000 -3.363) 6.500 2.525 ( 4.473 0.000 17.763) 18.318 2.699 ( -7.772 0.000 3.330) 8.455 2.831 ( -2.383 0.000 -7.673) 8.034 2.840 ( 2.165 0.000 -12.409) 12.597 3.164 ( 10.587 0.000 9.406) 14.162 3.273 ( 3.082 0.000 -1.475) 3.417 3.302 ( 0.711 0.000 6.131) 6.172 3.495 ( 15.824 0.000 -14.702) 21.600 3.603 ( 9.836 0.000 7.029) 12.089 3.684 ( 3.423 0.000 1.505) 3.739 3.755 ( 2.686 0.000 4.588) 5.316 3.761 ( 5.153 0.000 -2.903) 5.914 3.780 ( 3.156 0.000 -4.211) 5.263 3.855 ( 7.535 0.000 -6.021) 9.646 3.988 ( 1.944 0.000 0.518) 2.011 4.011 ( -0.495 0.000 0.641) 0.810 4.226 ( -9.765 0.000 11.468) 15.062 4.426 ( -8.338 0.000 -8.750) 12.087 4.548 ( 11.434 0.000 5.336) 12.618 4.558 ( 9.541 0.000 5.685) 11.107 4.592 ( 7.268 0.000 2.662) 7.740 4.659 ( 4.087 0.000 -3.028) 5.086 4.806 ( 3.888 0.000 -0.753) 3.960 4.813 ( 2.402 0.000 -1.146) 2.661 5.053 ( 6.767 0.000 -3.181) 7.477 5.061 ( 6.288 0.000 -4.355) 7.649 5.192 ( 7.242 0.000 6.715) 9.876 5.362 ( 8.479 0.000 -11.083) 13.955 6.797 ( -0.727 0.000 6.804) 6.843 6.921 ( -0.588 0.000 -6.230) 6.258 7.131 ( -1.958 0.000 9.842) 10.035 7.225 ( -1.264 0.000 6.449) 6.572 7.269 ( -2.800 0.000 -5.361) 6.048 7.392 ( -0.313 0.000 -10.185) 10.190 7.709 ( -3.114 0.000 2.788) 4.179 7.740 ( -1.571 0.000 -1.029) 1.878 7.877 ( -4.727 0.000 2.927) 5.559 7.909 ( -4.759 0.000 -0.540) 4.789 7.983 ( 0.740 0.000 0.297) 0.797 7.992 ( 1.717 0.000 -0.777) 1.885 8.574 ( -4.763 0.000 8.546) 9.783 8.718 ( -4.857 0.000 -6.417) 8.048 8.899 ( 5.019 0.000 13.716) 14.606 9.093 ( 5.973 0.000 -2.980) 6.675 9.356 ( -1.042 0.000 1.470) 1.801 9.455 ( -1.137 0.000 -3.841) 4.006 9.564 ( 2.069 0.000 -3.986) 4.491 9.626 ( -2.104 0.000 -9.797) 10.021 10.080 ( 2.298 0.000 9.149) 9.433 10.278 ( 2.807 0.000 -11.366) 11.708 10.486 ( -2.607 0.000 1.513) 3.014 10.514 ( -1.359 0.000 -1.712) 2.186 10.944 ( -12.036 0.000 6.632) 13.742 11.065 ( -11.235 0.000 -5.929) 12.704 11.316 ( 4.515 0.000 4.162) 6.141 11.394 ( 4.148 0.000 -4.013) 5.772 12.104 ( -8.171 0.000 8.117) 11.518 12.232 ( -7.452 0.000 -5.803) 9.445 12.973 ( -3.559 0.000 10.183) 10.787 13.026 ( -9.398 0.000 7.754) 12.185 13.203 ( 2.616 0.000 -6.351) 6.869 13.278 ( -5.250 0.000 -11.162) 12.334 14.744 ( -8.512 0.000 9.965) 13.105 14.956 ( -8.266 0.000 -12.283) 14.806 15.426 ( -2.351 0.000 5.429) 5.916 15.442 ( 5.313 0.000 4.928) 7.246 15.745 ( -4.277 0.000 7.015) 8.216 15.970 ( 4.177 0.000 -14.923) 15.497 16.742 ( -0.127 0.000 10.925) 10.925 16.781 ( 13.907 0.000 3.709) 14.393 16.868 ( 13.959 0.000 -3.485) 14.387 16.949 ( -0.479 0.000 -8.929) 8.942 24.522 ( -0.437 0.000 4.817) 4.837 24.620 ( -0.911 0.000 -5.610) 5.683 24.687 ( 0.681 0.000 2.326) 2.423 24.726 ( 1.040 0.000 -0.999) 1.442 25.050 ( -3.699 0.000 8.813) 9.558 25.201 ( -2.659 0.000 -6.603) 7.119 25.278 ( -1.135 0.000 10.446) 10.508 25.474 ( -2.254 0.000 -10.029) 10.279 27.158 ( -4.637 0.000 3.474) 5.794 27.232 ( -3.320 0.000 -4.331) 5.457 27.509 ( -3.757 0.000 2.144) 4.325 27.553 ( -3.091 0.000 -2.345) 3.880 27.901 ( -3.457 0.000 8.736) 9.396 28.020 ( 0.598 0.000 -2.858) 2.920 28.428 ( 2.056 0.000 13.375) 13.532 28.774 ( 10.115 0.000 -22.180) 24.378 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.396 0.000 1.397) 1.452 1.320 ( -1.205 0.000 -1.135) 1.656 1.839 ( 4.037 0.000 8.916) 9.787 1.893 ( 12.209 0.000 6.632) 13.895 1.942 ( 3.119 0.000 -1.933) 3.670 1.995 ( 11.620 0.000 -2.410) 11.867 2.085 ( 3.847 0.000 -0.427) 3.870 2.113 ( 4.235 0.000 -2.717) 5.032 2.495 ( -6.305 0.000 6.777) 9.256 2.545 ( -6.018 0.000 2.150) 6.390 2.825 ( -4.569 0.000 -2.207) 5.074 2.843 ( 3.124 0.000 -1.282) 3.377 3.138 ( -6.091 0.000 6.406) 8.839 3.302 ( 1.827 0.000 -8.599) 8.791 3.388 ( 3.138 0.000 10.626) 11.079 3.610 ( -1.060 0.000 -11.409) 11.458 3.704 ( 1.556 0.000 0.009) 1.556 3.730 ( 1.210 0.000 -2.434) 2.719 3.784 ( 1.498 0.000 4.386) 4.635 3.837 ( 2.242 0.000 -1.311) 2.597 3.978 ( 2.929 0.000 2.032) 3.565 3.983 ( -0.989 0.000 3.167) 3.317 4.078 ( -3.875 0.000 5.713) 6.903 4.107 ( 17.302 0.000 5.226) 18.074 4.197 ( -1.258 0.000 -6.909) 7.022 4.285 ( 9.434 0.000 -11.067) 14.542 4.630 ( -0.360 0.000 4.850) 4.863 4.696 ( 1.786 0.000 -1.878) 2.592 4.783 ( 8.576 0.000 7.241) 11.223 4.822 ( 6.875 0.000 0.501) 6.893 4.862 ( 3.037 0.000 1.633) 3.448 4.881 ( 8.579 0.000 2.302) 8.882 5.158 ( 1.987 0.000 1.183) 2.313 5.220 ( 6.311 0.000 -6.782) 9.264 5.433 ( 11.827 0.000 0.752) 11.851 5.568 ( 9.406 0.000 -11.622) 14.952 6.825 ( 2.977 0.000 6.491) 7.141 6.942 ( 2.210 0.000 -5.720) 6.132 7.074 ( -3.430 0.000 8.005) 8.709 7.184 ( -2.026 0.000 8.432) 8.672 7.196 ( -3.846 0.000 -5.391) 6.622 7.374 ( -1.031 0.000 -10.777) 10.826 7.652 ( -2.061 0.000 4.588) 5.030 7.714 ( -0.810 0.000 -2.452) 2.583 7.830 ( 0.151 0.000 0.995) 1.007 7.841 ( -1.046 0.000 -0.027) 1.046 7.987 ( -0.894 0.000 1.259) 1.545 8.009 ( -0.239 0.000 -1.057) 1.083 8.494 ( -2.965 0.000 7.584) 8.143 8.629 ( -3.536 0.000 -6.463) 7.367 8.940 ( 0.066 0.000 12.530) 12.530 9.157 ( 0.970 0.000 -8.349) 8.405 9.358 ( 0.894 0.000 6.711) 6.770 9.359 ( -6.499 0.000 2.038) 6.811 9.469 ( -9.778 0.000 -2.594) 10.116 9.629 ( 3.554 0.000 -12.700) 13.188 10.120 ( 1.346 0.000 9.954) 10.045 10.331 ( 1.821 0.000 -11.694) 11.835 10.456 ( -0.509 0.000 2.147) 2.207 10.504 ( 0.006 0.000 -3.006) 3.006 10.708 ( -9.181 0.000 7.526) 11.871 10.850 ( -8.163 0.000 -7.152) 10.853 11.397 ( 2.909 0.000 3.796) 4.783 11.457 ( 1.884 0.000 -2.530) 3.155 12.009 ( -1.835 0.000 6.899) 7.139 12.136 ( -2.206 0.000 -6.500) 6.864 12.886 ( -3.838 0.000 10.134) 10.836 12.916 ( -1.069 0.000 10.708) 10.762 13.165 ( -5.562 0.000 -9.824) 11.289 13.211 ( -1.235 0.000 -10.981) 11.050 14.613 ( -3.980 0.000 10.253) 10.999 14.832 ( -3.577 0.000 -12.803) 13.293 15.358 ( -3.011 0.000 5.254) 6.056 15.436 ( -3.446 0.000 -2.805) 4.443 15.755 ( 3.068 0.000 16.342) 16.628 16.058 ( 3.366 0.000 -14.925) 15.300 16.725 ( -0.856 0.000 11.657) 11.688 16.927 ( -0.468 0.000 -9.334) 9.346 17.017 ( 7.407 0.000 4.303) 8.566 17.103 ( 7.839 0.000 -4.463) 9.021 24.513 ( -0.334 0.000 4.227) 4.240 24.607 ( -0.342 0.000 -5.804) 5.814 24.703 ( 0.725 0.000 3.479) 3.554 24.752 ( 1.206 0.000 -0.394) 1.269 24.994 ( -1.765 0.000 8.017) 8.209 25.169 ( -0.479 0.000 -8.936) 8.949 25.254 ( -1.024 0.000 8.828) 8.888 25.413 ( -3.059 0.000 -8.045) 8.607 27.089 ( -2.204 0.000 4.405) 4.926 27.184 ( -1.561 0.000 -5.712) 5.921 27.436 ( -2.731 0.000 2.767) 3.888 27.491 ( -2.380 0.000 -2.946) 3.787 27.836 ( -2.289 0.000 7.981) 8.303 27.966 ( -3.247 0.000 -5.765) 6.616 28.519 ( 4.370 0.000 20.186) 20.654 28.934 ( 5.066 0.000 -22.983) 23.535 ======================= Grid point 130 (45/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.000 0.000 0.797) 0.797 1.309 ( 0.000 0.000 -0.310) 0.310 1.890 ( 0.000 0.000 8.711) 8.711 1.990 ( 0.000 0.000 -1.452) 1.452 2.000 ( -0.000 0.000 4.676) 4.676 2.090 ( -0.000 0.000 -4.637) 4.637 2.202 ( 0.000 0.000 -1.231) 1.231 2.215 ( 0.000 0.000 -2.177) 2.177 2.360 ( 0.000 0.000 7.179) 7.179 2.479 ( 0.000 0.000 -5.364) 5.364 2.733 ( 0.000 0.000 10.252) 10.252 2.888 ( 0.000 0.000 3.835) 3.835 3.064 ( 0.000 0.000 4.869) 4.869 3.341 ( 0.000 0.000 -14.353) 14.353 3.408 ( 0.000 0.000 7.845) 7.845 3.576 ( -0.000 0.000 -8.847) 8.847 3.719 ( 0.000 0.000 -0.703) 0.703 3.741 ( 0.000 0.000 -2.739) 2.739 3.803 ( 0.000 0.000 5.692) 5.692 3.863 ( 0.000 0.000 -1.060) 1.060 3.971 ( 0.000 0.000 6.881) 6.881 4.035 ( 0.000 0.000 0.145) 0.145 4.036 ( 0.000 0.000 -0.049) 0.049 4.106 ( 0.000 0.000 -7.365) 7.365 4.309 ( 0.000 0.000 6.170) 6.170 4.430 ( 0.000 0.000 -6.063) 6.063 4.613 ( 0.000 0.000 6.774) 6.774 4.740 ( 0.000 0.000 -6.750) 6.750 4.824 ( 0.000 0.000 0.351) 0.351 4.842 ( 0.000 0.000 -1.343) 1.343 4.951 ( 0.000 0.000 13.383) 13.383 5.107 ( 0.000 0.000 9.322) 9.322 5.132 ( -0.000 0.000 -3.669) 3.669 5.291 ( 0.000 0.000 -9.799) 9.799 5.557 ( 0.000 0.000 -1.099) 1.099 5.670 ( 0.000 0.000 -11.247) 11.247 6.874 ( 0.000 0.000 5.749) 5.749 6.977 ( 0.000 0.000 -5.016) 5.016 7.020 ( 0.000 0.000 7.461) 7.461 7.144 ( 0.000 0.000 -5.759) 5.759 7.161 ( 0.000 0.000 9.530) 9.530 7.362 ( 0.000 0.000 -11.032) 11.032 7.630 ( 0.000 0.000 5.253) 5.253 7.706 ( 0.000 0.000 -3.253) 3.253 7.846 ( 0.000 0.000 0.650) 0.650 7.851 ( 0.000 0.000 0.060) 0.060 7.965 ( 0.000 0.000 2.227) 2.227 7.996 ( 0.000 0.000 -1.146) 1.146 8.458 ( 0.000 0.000 6.858) 6.858 8.586 ( 0.000 0.000 -6.343) 6.343 8.937 ( 0.000 0.000 11.596) 11.596 9.174 ( 0.000 0.000 -13.060) 13.060 9.274 ( 0.000 0.000 1.629) 1.629 9.302 ( -0.000 0.000 -1.210) 1.210 9.404 ( 0.000 0.000 13.477) 13.477 9.674 ( 0.000 0.000 -14.506) 14.506 10.133 ( 0.000 0.000 10.115) 10.115 10.347 ( 0.000 0.000 -11.995) 11.995 10.451 ( 0.000 0.000 2.492) 2.492 10.505 ( 0.000 0.000 -3.238) 3.238 10.609 ( 0.000 0.000 8.188) 8.188 10.761 ( 0.000 0.000 -7.558) 7.558 11.428 ( 0.000 0.000 3.232) 3.232 11.476 ( 0.000 0.000 -1.698) 1.698 11.994 ( 0.000 0.000 6.303) 6.303 12.117 ( 0.000 0.000 -6.503) 6.503 12.851 ( 0.000 0.000 12.020) 12.020 12.918 ( 0.000 0.000 14.589) 14.589 13.089 ( 0.000 0.000 -12.842) 12.842 13.190 ( 0.000 0.000 -13.880) 13.880 14.573 ( 0.000 0.000 10.454) 10.454 14.797 ( 0.000 0.000 -13.127) 13.127 15.325 ( 0.000 0.000 4.300) 4.300 15.392 ( 0.000 0.000 -2.780) 2.780 15.793 ( 0.000 0.000 16.993) 16.993 16.094 ( 0.000 0.000 -14.133) 14.133 16.715 ( 0.000 0.000 11.618) 11.618 16.920 ( 0.000 0.000 -9.656) 9.656 17.097 ( 0.000 0.000 4.614) 4.614 17.185 ( 0.000 0.000 -4.557) 4.557 24.510 ( 0.000 0.000 4.050) 4.050 24.604 ( 0.000 0.000 -6.040) 6.040 24.711 ( 0.000 0.000 4.011) 4.011 24.766 ( 0.000 0.000 -0.254) 0.254 24.976 ( 0.000 0.000 7.891) 7.891 25.168 ( 0.000 0.000 -10.738) 10.738 25.242 ( 0.000 0.000 7.929) 7.929 25.375 ( 0.000 0.000 -6.076) 6.076 27.065 ( 0.000 0.000 4.712) 4.712 27.167 ( 0.000 0.000 -6.052) 6.052 27.407 ( 0.000 0.000 2.942) 2.942 27.465 ( 0.000 0.000 -3.132) 3.132 27.812 ( 0.000 0.000 7.319) 7.319 27.930 ( 0.000 0.000 -5.107) 5.107 28.568 ( 0.000 0.000 20.734) 20.734 28.986 ( 0.000 0.000 -22.743) 22.743 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 14.238 22.788) 26.871 1.327 ( 0.000 21.585 20.163) 29.538 1.592 ( 0.000 16.906 -1.628) 16.984 1.615 ( 0.000 9.112 -20.195) 22.156 1.762 ( 0.000 7.634 1.651) 7.811 1.768 ( 0.000 -1.250 6.031) 6.159 1.871 ( 0.000 3.615 -9.358) 10.032 1.887 ( 0.000 -1.157 -7.117) 7.211 2.405 ( 0.000 17.148 24.641) 30.020 2.774 ( 0.000 2.526 -9.965) 10.280 2.788 ( 0.000 1.185 5.071) 5.207 2.885 ( 0.000 0.034 -5.195) 5.195 2.960 ( 0.000 -2.856 1.861) 3.409 3.009 ( 0.000 2.796 -0.697) 2.882 3.068 ( 0.000 -4.754 -3.665) 6.003 3.186 ( 0.000 7.539 -15.235) 16.998 3.494 ( 0.000 -3.578 7.918) 8.689 3.539 ( 0.000 -2.727 8.565) 8.988 3.620 ( 0.000 -6.616 -5.241) 8.441 3.704 ( 0.000 -4.011 -8.618) 9.505 3.752 ( 0.000 -1.435 4.388) 4.617 3.841 ( 0.000 -1.033 -4.336) 4.457 3.897 ( 0.000 0.867 1.990) 2.171 3.935 ( 0.000 1.663 -1.934) 2.551 4.067 ( 0.000 -1.833 13.577) 13.700 4.248 ( 0.000 -2.964 -4.669) 5.530 4.256 ( 0.000 -0.215 7.452) 7.455 4.405 ( 0.000 2.176 -7.994) 8.285 4.563 ( 0.000 -11.346 11.820) 16.384 4.738 ( 0.000 -2.188 -6.497) 6.855 4.794 ( 0.000 -6.072 3.815) 7.171 4.865 ( 0.000 -6.919 -3.658) 7.827 4.967 ( 0.000 -0.564 0.621) 0.839 5.022 ( 0.000 -3.298 -5.962) 6.814 5.090 ( 0.000 2.761 0.820) 2.881 5.099 ( 0.000 3.577 -0.125) 3.579 7.038 ( 0.000 9.855 8.845) 13.242 7.158 ( 0.000 -0.098 8.862) 8.862 7.208 ( 0.000 13.475 -9.285) 16.364 7.212 ( 0.000 1.384 5.453) 5.626 7.326 ( 0.000 0.868 -3.882) 3.978 7.407 ( 0.000 3.776 -9.152) 9.900 7.823 ( 0.000 -1.721 3.384) 3.797 7.844 ( 0.000 2.785 0.953) 2.943 7.862 ( 0.000 1.351 -0.786) 1.563 7.892 ( 0.000 -1.485 -3.697) 3.984 8.175 ( 0.000 -7.513 8.370) 11.248 8.328 ( 0.000 -6.494 -8.519) 10.712 8.444 ( 0.000 0.073 2.897) 2.898 8.501 ( 0.000 0.198 -3.075) 3.082 8.851 ( 0.000 6.965 5.913) 9.137 8.950 ( 0.000 6.062 -4.413) 7.498 9.067 ( 0.000 -6.384 11.297) 12.975 9.272 ( 0.000 -9.584 -9.479) 13.480 9.543 ( 0.000 -0.802 -0.274) 0.848 9.556 ( 0.000 3.030 -2.483) 3.918 9.997 ( 0.000 -1.551 9.303) 9.431 10.209 ( 0.000 -0.626 -12.675) 12.690 10.569 ( 0.000 -2.635 0.865) 2.773 10.583 ( 0.000 -0.040 -0.790) 0.791 11.067 ( 0.000 -8.377 5.266) 9.895 11.168 ( 0.000 -8.090 -5.273) 9.656 11.206 ( 0.000 -3.554 7.184) 8.015 11.329 ( 0.000 -4.545 -5.668) 7.265 12.404 ( 0.000 -6.600 14.240) 15.696 12.655 ( 0.000 0.458 -13.653) 13.661 12.884 ( 0.000 -1.531 5.427) 5.639 12.989 ( 0.000 -0.174 -5.391) 5.393 13.604 ( 0.000 17.065 8.985) 19.286 13.774 ( 0.000 17.439 -8.841) 19.552 14.964 ( 0.000 -5.181 8.707) 10.132 15.113 ( 0.000 -4.343 -4.257) 6.081 15.254 ( 0.000 2.621 2.734) 3.787 15.391 ( 0.000 0.134 -9.545) 9.546 15.736 ( 0.000 -14.193 9.622) 17.147 15.884 ( 0.000 -8.209 -6.923) 10.738 16.321 ( 0.000 2.567 2.789) 3.791 16.365 ( 0.000 4.483 -1.835) 4.844 16.731 ( 0.000 -1.631 11.715) 11.828 16.931 ( 0.000 -1.826 -9.316) 9.493 24.528 ( 0.000 -0.205 5.422) 5.426 24.637 ( 0.000 -0.833 -5.984) 6.042 24.674 ( 0.000 -0.688 1.848) 1.972 24.710 ( 0.000 -1.314 -1.674) 2.128 25.247 ( 0.000 2.513 14.592) 14.807 25.287 ( 0.000 1.146 11.585) 11.641 25.506 ( 0.000 2.384 -11.254) 11.503 25.526 ( 0.000 11.506 -16.332) 19.978 27.453 ( 0.000 -5.832 2.598) 6.385 27.455 ( 0.000 -1.875 5.178) 5.507 27.502 ( 0.000 -5.137 -2.523) 5.723 27.558 ( 0.000 -2.421 -5.469) 5.980 27.797 ( 0.000 7.752 3.738) 8.607 27.865 ( 0.000 9.065 -3.340) 9.661 28.276 ( 0.000 -10.212 16.174) 19.128 28.541 ( 0.000 -4.351 -12.977) 13.687 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 4.399 10.999 14.683) 18.865 1.423 ( 7.005 16.612 16.059) 24.144 1.538 ( -2.182 7.591 -6.967) 10.532 1.712 ( 6.096 13.304 -5.272) 15.555 1.793 ( 2.361 2.471 4.376) 5.552 1.851 ( 3.876 1.540 -2.776) 5.010 1.887 ( 6.943 4.466 -2.268) 8.561 1.986 ( 6.430 7.057 -9.512) 13.477 2.461 ( 4.220 11.287 21.617) 24.749 2.730 ( -0.590 -0.686 -7.980) 8.031 2.828 ( 3.038 5.189 5.401) 8.083 2.941 ( 1.115 0.690 -1.654) 2.111 2.976 ( 0.375 -3.320 1.821) 3.805 3.113 ( 9.721 -2.715 -5.662) 11.573 3.149 ( 9.987 2.031 -1.270) 10.270 3.268 ( 8.987 8.579 -13.762) 18.541 3.501 ( 1.089 -2.416 9.350) 9.718 3.563 ( 1.914 -4.396 5.134) 7.025 3.624 ( 1.356 -4.862 -3.608) 6.205 3.705 ( 1.760 -2.936 -7.844) 8.558 3.780 ( -0.486 -2.757 1.245) 3.064 3.794 ( -2.777 0.034 -0.481) 2.819 3.964 ( 2.580 0.453 3.782) 4.601 4.025 ( 4.767 2.076 -1.270) 5.352 4.151 ( 10.101 -4.894 7.564) 13.535 4.249 ( 4.428 -2.822 -1.482) 5.456 4.379 ( 7.941 -0.625 6.570) 10.326 4.448 ( -2.884 -3.400 7.678) 8.879 4.522 ( 4.518 -1.566 -1.484) 5.006 4.680 ( -6.349 -2.803 -8.963) 11.336 4.796 ( 0.341 -1.731 0.727) 1.909 4.812 ( -1.878 -0.018 -0.575) 1.964 4.938 ( 0.382 -3.228 0.473) 3.285 4.978 ( -0.052 -0.541 -3.956) 3.993 5.137 ( 2.651 2.017 2.131) 3.955 5.203 ( 6.095 -0.319 -4.875) 7.812 6.938 ( -6.469 6.815 8.390) 12.598 7.098 ( -7.141 8.884 -8.206) 14.045 7.155 ( -0.823 0.729 8.359) 8.431 7.252 ( 1.498 2.256 2.926) 3.987 7.324 ( -0.487 1.900 -1.564) 2.509 7.441 ( 1.697 5.209 -8.792) 10.359 7.771 ( -3.568 -0.801 1.815) 4.082 7.791 ( -3.178 0.636 -0.573) 3.292 7.903 ( 2.382 -0.741 0.939) 2.665 7.928 ( 2.060 -1.341 -1.710) 2.994 8.029 ( -8.490 -1.667 4.194) 9.615 8.072 ( -9.493 -0.573 -0.702) 9.536 8.600 ( 7.077 -5.179 8.909) 12.501 8.759 ( 4.333 -2.190 -3.780) 6.153 8.811 ( 1.020 4.128 3.536) 5.531 8.929 ( 1.285 4.631 -4.773) 6.773 9.205 ( 7.997 -8.293 4.295) 12.295 9.354 ( 6.290 -13.197 -8.578) 16.950 9.516 ( -2.239 -0.670 0.789) 2.467 9.559 ( 0.839 5.351 -4.824) 7.253 10.031 ( 3.039 -0.644 9.040) 9.559 10.230 ( 2.295 -0.225 -11.525) 11.753 10.550 ( -1.953 -1.011 1.076) 2.448 10.575 ( -0.893 1.143 -1.730) 2.257 11.079 ( 0.277 -10.343 5.002) 11.492 11.123 ( -6.074 -4.527 5.031) 9.094 11.197 ( 1.160 -8.967 -3.608) 9.735 11.258 ( -5.693 -4.108 -5.304) 8.799 12.281 ( -9.429 -2.612 11.563) 15.147 12.467 ( -12.881 2.832 -8.808) 15.860 12.938 ( 1.680 -3.810 6.362) 7.604 13.055 ( 4.036 -2.773 -5.825) 7.610 13.462 ( -10.604 16.624 10.005) 22.111 13.656 ( -8.078 17.855 -10.631) 22.295 14.881 ( -8.749 -5.758 9.955) 14.450 15.083 ( -7.245 -5.745 -10.632) 14.090 15.305 ( 7.445 2.877 7.338) 10.842 15.420 ( 4.422 1.710 -2.358) 5.295 15.788 ( 2.879 -7.342 2.285) 8.211 15.884 ( -0.960 -4.058 -7.224) 8.341 16.459 ( 12.162 -0.300 3.319) 12.611 16.517 ( 13.241 0.543 -2.693) 13.523 16.738 ( 0.487 -1.804 11.303) 11.456 16.933 ( 0.055 -1.924 -9.182) 9.382 24.526 ( -0.158 -0.148 5.291) 5.296 24.632 ( -0.459 -0.619 -5.807) 5.858 24.673 ( -0.034 -0.729 1.878) 2.015 24.709 ( 0.136 -0.827 -1.601) 1.807 25.184 ( -4.580 3.485 12.698) 13.941 25.289 ( -0.482 1.031 10.874) 10.934 25.414 ( -6.470 8.294 -9.865) 14.421 25.529 ( -0.612 3.517 -12.100) 12.616 27.284 ( -7.542 -0.803 3.168) 8.219 27.341 ( -7.247 -0.585 -2.631) 7.732 27.519 ( -0.820 -4.333 2.955) 5.308 27.580 ( -1.435 -2.708 -3.230) 4.452 27.915 ( 7.178 3.649 5.254) 9.615 27.963 ( 4.021 4.088 2.404) 6.217 28.344 ( 4.339 -8.610 5.245) 10.976 28.535 ( 2.885 -3.181 -13.788) 14.441 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 1.718 6.284 4.272) 7.790 1.419 ( -3.967 6.056 -4.515) 8.533 1.669 ( 11.202 6.456 13.202) 18.479 1.842 ( 4.452 4.392 4.607) 7.768 1.864 ( 5.725 7.511 -3.328) 10.014 1.928 ( 4.968 5.449 -0.106) 7.375 2.059 ( 7.008 7.963 -2.708) 10.948 2.098 ( 3.848 7.000 -4.156) 9.004 2.507 ( -0.449 1.234 12.050) 12.122 2.707 ( -3.942 -0.099 -7.440) 8.420 2.803 ( -0.190 2.155 3.256) 3.909 2.940 ( 0.165 2.822 -9.050) 9.481 3.181 ( 10.581 1.168 11.923) 15.984 3.290 ( 1.451 -1.081 3.385) 3.839 3.320 ( 5.127 2.742 0.170) 5.817 3.456 ( 2.972 -2.546 -12.670) 13.261 3.587 ( 7.804 -1.664 7.194) 10.743 3.658 ( 6.363 -0.519 2.601) 6.894 3.713 ( 10.831 -2.292 1.413) 11.161 3.749 ( 1.446 -2.021 -1.610) 2.960 3.771 ( 1.406 -1.145 -1.692) 2.480 3.852 ( 13.277 -0.981 -9.968) 16.631 3.969 ( -0.675 -0.240 5.427) 5.474 4.052 ( -0.602 2.754 -2.602) 3.836 4.214 ( -6.662 -0.752 11.094) 12.962 4.400 ( -0.166 -1.911 -6.501) 6.778 4.476 ( 10.968 -2.687 4.038) 11.992 4.531 ( 4.465 -2.473 -1.607) 5.351 4.607 ( 8.395 0.542 6.386) 10.562 4.696 ( 4.913 1.864 -2.423) 5.786 4.828 ( 2.096 0.577 -0.084) 2.175 4.835 ( 3.906 1.391 -0.819) 4.227 5.022 ( 7.648 -2.190 0.406) 7.966 5.074 ( 10.058 1.429 -4.956) 11.303 5.215 ( 6.174 1.645 3.858) 7.463 5.339 ( 7.948 -1.972 -8.704) 11.950 6.838 ( -2.503 3.798 7.456) 8.734 6.979 ( -3.564 4.735 -7.224) 9.344 7.125 ( -2.212 -0.280 8.055) 8.358 7.244 ( -2.121 0.097 -2.297) 3.128 7.302 ( -1.659 4.467 4.107) 6.291 7.454 ( -0.429 5.355 -9.017) 10.495 7.689 ( -3.886 -1.981 3.435) 5.552 7.735 ( -2.390 -1.204 -1.925) 3.297 7.897 ( -3.967 1.016 1.460) 4.347 7.913 ( -4.418 0.444 0.014) 4.440 7.952 ( 1.310 -2.179 1.209) 2.816 7.978 ( 0.919 -0.751 -1.345) 1.794 8.618 ( -2.764 2.334 8.412) 9.157 8.752 ( -2.852 1.972 -4.136) 5.397 8.840 ( 1.831 -0.407 8.350) 8.558 9.014 ( 3.247 -5.663 -6.673) 9.335 9.279 ( -1.197 -11.205 4.527) 12.144 9.398 ( -3.326 -14.618 -6.543) 16.358 9.488 ( 0.151 1.163 3.544) 3.733 9.617 ( 4.045 6.474 -9.434) 12.136 10.108 ( 3.774 1.175 9.336) 10.138 10.302 ( 4.049 0.822 -10.715) 11.484 10.494 ( -2.877 0.466 2.160) 3.628 10.547 ( -1.548 2.206 -3.774) 4.637 10.914 ( -11.425 -3.079 6.001) 13.268 11.019 ( -9.458 -4.921 -4.668) 11.639 11.174 ( 1.842 -12.536 4.166) 13.338 11.263 ( 2.861 -12.884 -4.952) 14.096 12.093 ( -7.594 1.390 8.315) 11.346 12.225 ( -9.365 2.829 -6.008) 11.481 12.922 ( -2.454 -4.142 9.892) 11.001 13.094 ( -0.696 -3.072 -7.942) 8.544 13.276 ( -6.065 15.256 10.998) 19.760 13.510 ( -5.993 16.894 -13.229) 22.278 14.687 ( -8.255 -5.379 10.068) 14.087 14.899 ( -8.035 -5.371 -12.130) 15.510 15.447 ( -2.005 2.075 6.944) 7.519 15.481 ( 6.155 3.584 5.358) 8.913 15.761 ( -2.869 1.442 4.103) 5.210 15.956 ( 6.627 -1.076 -14.071) 15.590 16.709 ( 2.936 -2.712 10.078) 10.842 16.755 ( 10.858 -2.259 4.450) 11.950 16.840 ( 12.992 -2.362 -3.307) 13.613 16.929 ( -0.408 -1.903 -8.880) 9.090 24.521 ( -0.357 -0.008 4.814) 4.827 24.619 ( -0.682 -0.110 -5.564) 5.607 24.677 ( 0.481 -0.966 2.553) 2.771 24.723 ( 1.161 -0.455 -1.736) 2.137 25.092 ( -3.871 3.814 10.844) 12.129 25.263 ( -2.145 3.190 1.044) 3.984 25.301 ( -3.494 3.872 1.223) 5.357 25.493 ( -2.785 1.684 -10.949) 11.423 27.160 ( -4.463 0.119 3.758) 5.836 27.237 ( -3.258 0.337 -4.328) 5.428 27.465 ( -3.635 -3.976 2.872) 6.105 27.525 ( -3.339 -2.826 -3.213) 5.428 27.922 ( -2.578 2.256 8.693) 9.343 28.047 ( 0.214 2.637 -3.721) 4.566 28.395 ( 3.949 -2.742 12.765) 13.640 28.709 ( 9.698 -5.622 -19.242) 22.269 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -0.570 4.981 -0.061) 5.014 1.373 ( 0.298 5.234 -1.851) 5.559 1.833 ( 3.950 -0.222 8.053) 8.973 1.943 ( 2.381 -0.246 -3.234) 4.023 1.989 ( 8.968 4.450 6.596) 11.989 2.068 ( 5.811 5.498 1.430) 8.126 2.151 ( 2.686 5.061 -3.743) 6.844 2.165 ( 2.548 7.052 -3.362) 8.218 2.484 ( -0.162 4.077 10.184) 10.971 2.605 ( -3.989 5.191 -1.442) 6.704 2.860 ( 4.027 1.532 -1.008) 4.425 2.894 ( -5.882 4.591 -2.609) 7.904 3.223 ( -4.568 7.125 8.529) 12.015 3.269 ( 1.713 -6.428 6.077) 9.010 3.389 ( 1.059 3.124 -4.915) 5.920 3.454 ( -1.450 -12.373 -8.553) 15.111 3.690 ( 3.376 -0.904 0.281) 3.506 3.719 ( 1.201 -0.958 -2.260) 2.733 3.770 ( -0.417 -2.226 1.401) 2.663 3.796 ( 1.599 -1.544 -0.692) 2.328 3.965 ( 1.378 -2.692 2.671) 4.034 4.004 ( 1.543 -1.738 -1.917) 3.013 4.065 ( -0.263 -0.972 4.604) 4.713 4.141 ( 11.675 5.264 6.488) 14.357 4.191 ( 2.957 -0.269 -3.479) 4.574 4.345 ( 7.620 4.833 -9.947) 13.430 4.603 ( -0.458 -1.911 4.165) 4.605 4.650 ( 1.372 -2.516 0.204) 2.873 4.789 ( 4.166 0.876 1.892) 4.658 4.807 ( 6.161 -0.277 0.502) 6.188 4.906 ( 9.688 1.865 4.628) 10.897 4.953 ( 9.057 5.300 1.196) 10.562 5.153 ( 3.249 -0.588 3.271) 4.648 5.252 ( 5.498 2.284 -6.803) 9.040 5.454 ( 12.761 1.841 -0.254) 12.895 5.550 ( 10.216 -1.274 -9.257) 13.845 6.833 ( 1.507 0.955 6.393) 6.637 6.951 ( 0.483 0.972 -5.740) 5.841 7.062 ( -3.577 -0.938 7.003) 7.919 7.180 ( -3.464 -0.834 -4.679) 5.881 7.261 ( -1.854 6.203 7.375) 9.813 7.435 ( -1.003 5.461 -9.783) 11.249 7.621 ( -2.412 -2.769 4.783) 6.030 7.693 ( -1.443 -2.419 -3.159) 4.233 7.841 ( -1.275 -0.142 0.774) 1.499 7.850 ( -1.253 0.387 0.030) 1.312 7.966 ( -0.041 -1.187 1.660) 2.041 7.996 ( 0.504 -0.758 -1.416) 1.683 8.551 ( -3.319 4.637 7.447) 9.380 8.681 ( -3.596 4.134 -5.655) 7.874 8.860 ( 0.163 -3.989 9.689) 10.479 9.044 ( 0.457 -7.841 -7.541) 10.888 9.188 ( -5.899 -12.037 2.875) 13.710 9.272 ( -7.321 -13.218 -5.350) 16.029 9.505 ( 1.311 6.380 8.829) 10.972 9.696 ( 3.291 5.495 -10.696) 12.467 10.169 ( 1.773 2.644 10.044) 10.536 10.373 ( 2.449 2.062 -10.583) 11.057 10.454 ( -0.937 -0.377 2.158) 2.382 10.519 ( -1.082 1.061 -4.908) 5.136 10.688 ( -8.827 -1.741 7.140) 11.486 10.823 ( -7.678 -2.337 -6.853) 10.553 11.225 ( 2.218 -16.768 5.157) 17.683 11.314 ( 1.785 -15.297 -4.257) 15.979 11.979 ( -3.360 1.601 6.132) 7.174 12.086 ( -4.131 0.892 -5.165) 6.674 12.876 ( -1.420 -4.207 12.127) 12.915 13.071 ( -0.025 4.536 -3.454) 5.701 13.185 ( -3.735 8.048 3.885) 9.686 13.394 ( -4.946 17.090 -13.052) 22.065 14.562 ( -3.699 -4.812 10.236) 11.901 14.780 ( -3.362 -4.916 -12.656) 13.988 15.388 ( -2.720 2.926 6.853) 7.932 15.496 ( -2.696 5.688 -4.216) 7.576 15.777 ( 3.015 1.798 15.816) 16.201 16.075 ( 4.089 1.420 -14.756) 15.378 16.710 ( -0.471 -1.319 11.352) 11.438 16.908 ( -0.129 -1.832 -9.040) 9.225 16.978 ( 6.994 -3.592 4.396) 9.008 17.068 ( 7.762 -3.141 -4.729) 9.617 24.513 ( -0.302 0.097 4.323) 4.335 24.608 ( -0.312 0.130 -5.784) 5.794 24.690 ( 0.586 -1.271 3.632) 3.893 24.749 ( 1.154 -0.518 -1.840) 2.233 25.031 ( -1.961 3.439 9.780) 10.551 25.223 ( -1.019 4.553 -8.857) 10.011 25.258 ( -1.271 0.451 8.464) 8.571 25.424 ( -3.319 0.964 -8.574) 9.244 27.091 ( -2.221 0.202 4.575) 5.089 27.188 ( -1.629 0.288 -5.659) 5.896 27.394 ( -2.609 -3.807 3.358) 5.708 27.461 ( -2.400 -2.921 -3.493) 5.147 27.873 ( -1.738 3.670 7.886) 8.870 28.003 ( -2.581 3.680 -5.840) 7.369 28.498 ( 4.314 -2.091 17.950) 18.579 28.865 ( 5.035 -6.196 -20.290) 21.804 ======================= Grid point 139 (50/60) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.000 4.363 0.844) 4.444 1.381 ( -0.000 6.276 -2.608) 6.796 1.873 ( 0.000 -1.670 7.218) 7.409 1.971 ( 0.000 -2.027 -2.869) 3.513 2.103 ( -0.000 8.810 4.280) 9.794 2.111 ( -0.000 -5.785 3.260) 6.640 2.190 ( -0.000 8.498 -4.570) 9.649 2.194 ( -0.000 -1.699 -4.261) 4.587 2.489 ( -0.000 12.338 8.173) 14.799 2.597 ( -0.000 10.077 -2.863) 10.476 2.767 ( 0.000 2.978 9.585) 10.037 2.917 ( 0.000 1.378 -3.280) 3.557 3.166 ( 0.000 8.654 9.881) 13.134 3.301 ( -0.000 -9.036 4.147) 9.942 3.392 ( 0.000 3.916 -9.768) 10.523 3.425 ( 0.000 -12.885 -7.848) 15.087 3.729 ( 0.000 -0.379 -1.907) 1.944 3.738 ( 0.000 1.808 -3.283) 3.748 3.753 ( -0.000 -3.897 4.167) 5.705 3.810 ( 0.000 -2.761 -1.488) 3.136 3.994 ( 0.000 -3.922 0.668) 3.978 4.016 ( 0.000 -2.132 -1.637) 2.688 4.021 ( 0.000 2.005 6.717) 7.010 4.150 ( 0.000 2.199 -6.643) 6.998 4.341 ( -0.000 3.747 9.013) 9.761 4.495 ( -0.000 5.129 -7.057) 8.724 4.562 ( 0.000 -3.784 5.697) 6.839 4.645 ( 0.000 -5.350 -2.548) 5.925 4.823 ( 0.000 -0.212 0.716) 0.746 4.845 ( 0.000 0.248 -1.466) 1.487 5.060 ( 0.000 5.734 7.600) 9.520 5.133 ( 0.000 2.906 9.406) 9.845 5.156 ( -0.000 1.201 -1.062) 1.603 5.318 ( 0.000 2.798 -9.754) 10.147 5.594 ( 0.000 3.090 -2.063) 3.715 5.663 ( 0.000 -0.271 -8.545) 8.549 6.861 ( 0.000 -0.872 5.743) 5.809 6.968 ( 0.000 -0.572 -5.415) 5.445 7.009 ( -0.000 -1.063 7.387) 7.463 7.134 ( 0.000 -0.686 -5.694) 5.735 7.240 ( 0.000 6.882 8.429) 10.882 7.423 ( 0.000 5.715 -10.202) 11.694 7.595 ( 0.000 -3.202 5.426) 6.300 7.678 ( 0.000 -2.825 -3.638) 4.606 7.834 ( 0.000 -1.789 0.869) 1.989 7.845 ( 0.000 -1.362 -0.170) 1.372 7.963 ( 0.000 -0.029 2.396) 2.396 8.001 ( 0.000 0.453 -1.697) 1.756 8.506 ( 0.000 4.128 6.814) 7.967 8.631 ( 0.000 3.596 -5.902) 6.911 8.860 ( 0.000 -4.247 9.430) 10.342 9.057 ( 0.000 -7.594 -10.866) 13.257 9.104 ( 0.000 -11.637 4.623) 12.522 9.180 ( -0.000 -10.237 -3.359) 10.774 9.523 ( 0.000 7.064 10.289) 12.481 9.735 ( 0.000 4.795 -11.556) 12.511 10.184 ( 0.000 3.079 10.335) 10.784 10.402 ( 0.000 3.252 -12.130) 12.558 10.441 ( 0.000 -1.067 2.622) 2.830 10.505 ( 0.000 -0.401 -4.276) 4.295 10.593 ( 0.000 -1.073 7.752) 7.826 10.739 ( 0.000 -1.637 -7.309) 7.490 11.250 ( 0.000 -17.893 5.013) 18.582 11.333 ( 0.000 -15.851 -3.667) 16.270 11.946 ( 0.000 1.049 5.370) 5.472 12.045 ( 0.000 -0.225 -5.005) 5.010 12.863 ( 0.000 -5.096 13.615) 14.538 13.099 ( 0.000 19.034 11.776) 22.382 13.120 ( -0.000 -6.550 -13.167) 14.706 13.334 ( 0.000 18.796 -12.757) 22.716 14.525 ( 0.000 -4.551 10.393) 11.346 14.748 ( 0.000 -4.733 -12.957) 13.795 15.357 ( 0.000 3.235 6.034) 6.846 15.460 ( 0.000 6.419 -4.714) 7.964 15.814 ( 0.000 1.654 17.177) 17.256 16.118 ( 0.000 1.962 -14.243) 14.377 16.704 ( 0.000 -0.909 11.118) 11.155 16.903 ( 0.000 -1.573 -9.492) 9.621 17.055 ( 0.000 -3.888 5.000) 6.333 17.150 ( 0.000 -3.251 -4.897) 5.877 24.510 ( -0.000 0.127 4.162) 4.164 24.605 ( -0.000 0.170 -5.989) 5.991 24.697 ( 0.000 -1.391 4.132) 4.360 24.762 ( 0.000 -0.604 -1.914) 2.008 25.010 ( 0.000 3.282 9.618) 10.162 25.217 ( 0.000 4.209 -11.062) 11.836 25.244 ( 0.000 0.127 8.197) 8.198 25.382 ( -0.000 0.706 -6.429) 6.467 27.067 ( 0.000 0.180 4.832) 4.835 27.170 ( 0.000 0.238 -6.023) 6.028 27.367 ( -0.000 -3.686 3.539) 5.109 27.435 ( 0.000 -2.861 -3.569) 4.574 27.855 ( 0.000 4.183 7.267) 8.385 27.974 ( 0.000 4.324 -5.297) 6.837 28.545 ( 0.000 -2.258 18.447) 18.585 28.917 ( 0.000 -6.319 -20.244) 21.207 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.000 18.375 14.883) 23.646 1.585 ( 0.000 4.095 18.267) 18.720 1.734 ( 0.000 -0.993 3.528) 3.665 1.802 ( 0.000 3.518 -6.002) 6.957 1.875 ( 0.000 -1.689 -10.140) 10.280 1.939 ( 0.000 11.562 -15.716) 19.510 2.023 ( 0.000 22.893 0.012) 22.893 2.102 ( 0.000 20.851 -8.186) 22.400 2.765 ( 0.000 5.079 8.456) 9.864 2.792 ( 0.000 -2.255 4.296) 4.851 2.813 ( 0.000 0.904 3.090) 3.219 2.880 ( 0.000 -0.863 -3.846) 3.941 2.908 ( 0.000 -0.570 -3.761) 3.804 2.925 ( 0.000 -3.297 -5.524) 6.432 3.159 ( 0.000 15.414 11.288) 19.105 3.346 ( 0.000 -10.676 3.260) 11.163 3.376 ( 0.000 -11.698 1.103) 11.750 3.392 ( 0.000 8.919 -7.398) 11.588 3.536 ( 0.000 -2.553 5.024) 5.635 3.635 ( 0.000 -1.778 -4.108) 4.476 3.743 ( 0.000 2.337 -2.082) 3.130 3.789 ( 0.000 -2.897 -3.700) 4.699 3.916 ( 0.000 0.682 2.761) 2.844 3.970 ( 0.000 1.691 -2.920) 3.375 4.058 ( 0.000 1.100 10.166) 10.225 4.200 ( 0.000 -1.281 -3.767) 3.979 4.236 ( 0.000 -2.033 9.328) 9.547 4.395 ( 0.000 -4.249 16.673) 17.206 4.437 ( 0.000 -0.603 -11.288) 11.304 4.645 ( 0.000 -8.090 5.156) 9.594 4.686 ( 0.000 -2.036 -12.873) 13.033 4.731 ( 0.000 -5.201 -3.890) 6.495 4.979 ( 0.000 1.555 -0.009) 1.555 5.005 ( 0.000 1.720 -2.498) 3.033 5.124 ( 0.000 0.277 2.230) 2.247 5.150 ( 0.000 1.082 -0.398) 1.153 7.166 ( 0.000 1.112 6.804) 6.894 7.214 ( 0.000 5.708 12.120) 13.397 7.251 ( 0.000 2.307 0.522) 2.365 7.359 ( 0.000 2.486 2.778) 3.728 7.401 ( 0.000 4.616 -6.626) 8.076 7.503 ( 0.000 4.903 -9.587) 10.768 7.718 ( 0.000 -8.851 3.658) 9.577 7.813 ( 0.000 -6.118 -6.399) 8.854 7.895 ( 0.000 2.168 1.038) 2.403 7.916 ( 0.000 3.998 -1.202) 4.175 8.063 ( 0.000 -2.178 6.943) 7.276 8.217 ( 0.000 -3.882 -10.149) 10.866 8.459 ( 0.000 1.598 3.071) 3.462 8.519 ( 0.000 1.742 -3.159) 3.608 8.876 ( 0.000 -11.269 6.836) 13.180 8.986 ( 0.000 -15.293 -4.529) 15.949 9.072 ( 0.000 14.245 4.110) 14.827 9.140 ( 0.000 12.317 -3.152) 12.714 9.554 ( 0.000 1.813 2.741) 3.286 9.632 ( 0.000 2.721 -5.699) 6.316 9.952 ( 0.000 -2.635 10.768) 11.086 10.192 ( 0.000 -0.851 -14.039) 14.065 10.430 ( 0.000 -12.210 6.111) 13.654 10.545 ( 0.000 -5.691 -5.974) 8.251 10.903 ( 0.000 -4.781 3.671) 6.028 10.971 ( 0.000 -7.801 -3.592) 8.588 11.108 ( 0.000 -5.607 5.970) 8.190 11.204 ( 0.000 -7.149 -4.138) 8.260 12.395 ( 0.000 4.982 16.430) 17.168 12.703 ( 0.000 4.429 -16.559) 17.141 12.830 ( 0.000 -3.901 7.362) 8.332 12.973 ( 0.000 -1.567 -7.475) 7.638 13.963 ( 0.000 16.840 10.790) 20.001 14.160 ( 0.000 18.410 -10.209) 21.051 14.806 ( 0.000 -9.809 9.821) 13.880 14.989 ( 0.000 -7.917 -8.433) 11.567 15.301 ( 0.000 1.835 4.204) 4.587 15.419 ( 0.000 2.694 -7.312) 7.793 15.494 ( 0.000 -8.381 12.910) 15.392 15.714 ( 0.000 -7.304 -10.608) 12.879 16.388 ( 0.000 3.966 5.176) 6.521 16.479 ( 0.000 6.444 -4.408) 7.808 16.678 ( 0.000 -3.503 11.084) 11.624 16.871 ( 0.000 -4.061 -9.117) 9.981 24.530 ( 0.000 0.611 4.621) 4.661 24.623 ( 0.000 -0.265 -5.118) 5.125 24.647 ( 0.000 -1.961 2.069) 2.851 24.683 ( 0.000 -1.278 -1.805) 2.212 25.317 ( 0.000 1.631 13.317) 13.416 25.318 ( 0.000 3.184 19.247) 19.509 25.571 ( 0.000 3.711 -13.152) 13.666 25.694 ( 0.000 4.225 -20.824) 21.248 27.358 ( 0.000 -3.287 3.464) 4.776 27.400 ( 0.000 -3.150 5.287) 6.154 27.421 ( 0.000 -2.497 -3.201) 4.060 27.498 ( 0.000 -3.188 -4.943) 5.882 27.947 ( 0.000 6.282 5.576) 8.399 28.050 ( 0.000 8.443 -5.162) 9.896 28.128 ( 0.000 -3.914 17.051) 17.494 28.424 ( 0.000 -5.836 -14.415) 15.552 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -1.517 9.168 11.318) 14.644 1.676 ( 4.021 7.050 10.203) 13.037 1.711 ( -7.009 6.017 -8.624) 12.637 1.799 ( 2.869 0.090 0.896) 3.007 1.851 ( 4.900 5.222 1.914) 7.412 2.080 ( 5.444 10.057 -13.314) 17.551 2.105 ( 7.729 17.447 0.459) 19.088 2.184 ( 6.525 16.753 -5.875) 18.914 2.687 ( -4.715 6.394 6.293) 10.135 2.755 ( -1.024 -2.673 -0.830) 2.981 2.824 ( -1.410 -2.761 1.655) 3.514 2.896 ( 0.848 -4.734 -4.315) 6.461 2.995 ( 9.432 3.127 3.452) 10.519 3.060 ( 8.682 -2.131 -3.342) 9.543 3.269 ( 8.407 10.730 7.582) 15.598 3.371 ( 4.053 -5.242 2.572) 7.108 3.410 ( 3.532 -7.945 1.132) 8.768 3.486 ( 8.939 4.964 -1.334) 10.312 3.565 ( 2.427 -1.468 2.718) 3.928 3.643 ( 2.039 -1.092 -4.094) 4.702 3.761 ( -2.416 -0.498 -1.293) 2.785 3.774 ( 0.423 1.521 -4.107) 4.400 3.966 ( 2.147 -0.009 5.133) 5.564 4.035 ( 6.063 -0.272 -2.184) 6.450 4.122 ( 7.397 1.152 6.127) 9.674 4.222 ( 2.908 -0.108 -2.467) 3.815 4.334 ( 5.244 -1.558 10.292) 11.656 4.380 ( 2.865 -3.038 11.061) 11.823 4.512 ( 6.605 -1.229 -9.134) 11.339 4.623 ( -3.549 -2.388 -10.496) 11.334 4.690 ( 3.724 -7.286 3.817) 9.029 4.776 ( 3.048 -2.305 -4.920) 6.230 4.949 ( -0.771 3.112 2.299) 3.945 4.999 ( 0.777 2.578 -2.983) 4.018 5.157 ( 2.394 -0.340 1.889) 3.068 5.193 ( 3.349 -1.050 -1.959) 4.020 7.074 ( -7.927 5.596 10.010) 13.941 7.145 ( -2.207 0.574 5.778) 6.212 7.273 ( -2.422 2.012 -4.240) 5.281 7.283 ( -6.383 4.424 -7.231) 10.611 7.405 ( 2.299 4.664 6.928) 8.662 7.543 ( 1.577 3.003 -5.259) 6.258 7.710 ( -1.396 -5.156 1.738) 5.617 7.778 ( -3.611 -2.828 -5.104) 6.862 7.878 ( -0.886 -0.935 0.776) 1.504 7.893 ( -1.348 0.106 -0.810) 1.576 8.018 ( -3.020 0.566 3.625) 4.752 8.087 ( -6.473 1.463 -3.721) 7.609 8.523 ( 4.017 -1.733 6.189) 7.579 8.656 ( 7.013 -4.285 -7.841) 11.359 8.902 ( 1.744 -9.827 6.412) 11.863 8.997 ( 0.496 -12.264 -3.206) 12.686 9.071 ( -0.617 8.630 3.225) 9.233 9.146 ( 0.473 10.757 -4.807) 11.792 9.561 ( 1.014 3.803 4.606) 6.059 9.667 ( 3.146 3.770 -6.561) 8.195 9.996 ( 3.819 -2.748 10.102) 11.144 10.214 ( 2.257 -1.324 -12.139) 12.417 10.441 ( 0.669 -11.832 5.397) 13.022 10.557 ( 0.575 -5.496 -6.631) 8.632 10.866 ( -3.259 -6.438 3.570) 8.051 10.929 ( -3.787 -9.498 -2.937) 10.638 11.055 ( -4.805 -5.386 5.094) 8.835 11.144 ( -5.521 -6.566 -4.068) 9.494 12.330 ( -5.448 6.710 13.760) 16.249 12.575 ( -9.512 7.115 -11.938) 16.841 12.843 ( -0.451 -5.529 6.940) 8.885 12.989 ( 0.667 -3.877 -7.870) 8.798 13.827 ( -9.923 17.616 10.961) 22.998 14.039 ( -8.636 18.110 -11.493) 23.123 14.712 ( -8.475 -10.317 10.349) 16.893 14.919 ( -7.781 -9.944 -11.211) 16.886 15.374 ( 8.376 3.536 8.239) 12.270 15.463 ( 4.479 1.941 4.021) 6.324 15.662 ( 11.918 -3.555 -0.686) 12.456 15.798 ( 4.260 -4.042 -10.448) 11.985 16.470 ( 7.690 1.532 5.054) 9.329 16.558 ( 7.586 3.445 -4.030) 9.254 16.684 ( 0.679 -3.324 10.549) 11.081 16.872 ( 0.066 -3.981 -8.998) 9.840 24.530 ( -0.067 0.634 4.643) 4.687 24.623 ( -0.058 -0.111 -5.125) 5.127 24.645 ( -0.088 -1.926 2.263) 2.973 24.687 ( 0.430 -1.242 -2.177) 2.543 25.269 ( -3.641 3.842 16.053) 16.903 25.315 ( -0.835 1.320 13.905) 13.993 25.537 ( -3.731 4.201 -12.472) 13.680 25.625 ( -4.998 4.072 -17.256) 18.421 27.268 ( -5.549 -0.527 3.727) 6.705 27.326 ( -4.941 -0.698 -1.471) 5.202 27.423 ( -1.323 -4.508 2.260) 5.213 27.497 ( -1.592 -4.815 -4.387) 6.706 27.997 ( 2.098 4.127 6.982) 8.377 28.069 ( 3.014 5.308 3.378) 6.976 28.225 ( 6.428 -2.422 4.851) 8.409 28.444 ( 3.217 -4.817 -13.720) 14.892 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -0.296 8.055 2.720) 8.507 1.562 ( -5.753 6.985 -4.072) 9.923 1.759 ( 3.634 1.515 5.503) 6.766 1.856 ( 2.378 -2.358 -4.074) 5.274 1.976 ( 5.455 7.915 8.554) 12.867 2.162 ( 2.135 8.117 -8.020) 11.609 2.246 ( 4.327 12.007 0.763) 12.785 2.299 ( 4.826 13.343 -3.784) 14.685 2.604 ( -2.337 3.008 7.133) 8.086 2.725 ( -1.136 -1.781 -6.404) 6.744 2.813 ( 1.568 2.338 8.732) 9.174 2.987 ( 5.186 2.260 -9.611) 11.152 3.122 ( 0.714 -5.807 4.300) 7.260 3.188 ( 3.024 -7.431 -2.816) 8.502 3.404 ( 4.988 3.364 1.962) 6.328 3.442 ( -1.420 0.183 1.484) 2.062 3.549 ( 7.404 -2.221 7.258) 10.604 3.666 ( 5.581 -2.386 3.785) 7.153 3.685 ( 4.024 2.298 4.964) 6.791 3.703 ( 2.391 -3.162 -3.246) 5.124 3.783 ( 10.945 3.632 -4.323) 12.315 3.818 ( 5.025 1.216 -4.600) 6.921 4.009 ( 4.873 2.689 1.765) 5.839 4.084 ( -0.735 -0.150 -4.091) 4.160 4.219 ( -0.391 1.752 9.878) 10.040 4.369 ( 6.816 -0.611 -3.915) 7.884 4.466 ( 11.323 1.755 3.600) 12.010 4.527 ( 1.885 0.673 -1.553) 2.533 4.589 ( 10.173 -0.390 3.981) 10.931 4.707 ( 8.093 -1.540 -5.179) 9.731 4.804 ( 5.244 -2.996 0.974) 6.118 4.843 ( 4.268 0.271 -2.201) 4.810 5.013 ( 7.082 1.568 4.691) 8.638 5.103 ( 9.687 1.099 -4.460) 10.721 5.236 ( 6.528 -0.141 1.363) 6.670 5.290 ( 7.249 -2.848 -4.335) 8.913 6.935 ( -4.955 5.015 8.103) 10.740 7.066 ( -5.014 2.457 -1.251) 5.723 7.139 ( -5.073 2.222 -0.263) 5.545 7.232 ( -3.171 -0.758 -5.534) 6.423 7.425 ( -0.277 5.897 7.451) 9.507 7.543 ( -1.238 0.725 -1.974) 2.440 7.661 ( -2.840 0.361 -1.926) 3.450 7.690 ( -3.980 -2.130 -3.200) 5.533 7.849 ( -2.595 -3.556 0.494) 4.430 7.858 ( -2.439 -3.413 -0.340) 4.209 7.976 ( -0.385 2.116 2.323) 3.166 8.021 ( -0.726 3.412 -2.315) 4.187 8.578 ( 1.036 -3.437 8.086) 8.847 8.736 ( 0.824 -5.087 -8.191) 9.677 8.918 ( -0.587 -8.404 5.861) 10.263 8.987 ( -1.595 -5.280 -1.560) 5.732 9.035 ( -2.761 1.866 2.761) 4.328 9.137 ( -1.609 7.232 -7.189) 10.323 9.603 ( 2.660 6.607 7.442) 10.301 9.747 ( 4.042 5.188 -7.432) 9.924 10.088 ( 4.455 -3.215 9.693) 11.142 10.282 ( 3.838 -2.965 -9.686) 10.832 10.438 ( -1.217 -9.843 3.605) 10.553 10.541 ( -2.337 -5.638 -6.861) 9.183 10.785 ( -4.963 -7.317 3.508) 9.512 10.832 ( -4.609 -10.373 -0.378) 11.357 10.941 ( -5.011 -8.930 1.319) 10.324 10.999 ( -7.277 -7.267 -3.609) 10.899 12.205 ( -5.765 8.851 9.520) 14.220 12.374 ( -8.857 10.105 -8.220) 15.752 12.802 ( -2.950 -7.223 9.382) 12.203 12.981 ( -1.343 -7.135 -9.183) 11.706 13.644 ( -6.896 18.296 11.442) 22.655 13.879 ( -6.358 17.761 -13.187) 23.017 14.530 ( -7.532 -9.571 10.265) 15.928 14.744 ( -7.359 -9.438 -12.127) 17.038 15.509 ( -0.321 3.706 10.602) 11.236 15.571 ( 8.254 4.416 8.468) 12.623 15.800 ( -0.459 2.330 -3.553) 4.273 15.935 ( 10.176 -0.965 -13.037) 16.567 16.652 ( 5.084 -2.311 8.808) 10.429 16.703 ( 6.663 -2.580 5.888) 9.258 16.788 ( 10.539 -2.273 -4.050) 11.517 16.873 ( 0.104 -3.364 -8.439) 9.085 24.527 ( -0.205 0.736 4.575) 4.638 24.620 ( -0.208 0.314 -5.181) 5.195 24.646 ( 0.204 -2.003 2.891) 3.523 24.703 ( 1.015 -1.422 -2.966) 3.442 25.186 ( -3.903 4.590 13.412) 14.703 25.290 ( -1.485 0.618 11.712) 11.822 25.423 ( -5.800 5.706 -10.623) 13.381 25.532 ( -4.205 1.768 -12.904) 13.686 27.165 ( -4.122 0.486 4.256) 5.945 27.242 ( -3.093 0.167 -3.207) 4.459 27.364 ( -3.652 -5.140 2.661) 6.844 27.439 ( -3.345 -5.092 -4.331) 7.475 28.001 ( -0.620 5.276 8.654) 10.154 28.132 ( 0.890 5.501 -4.099) 6.918 28.334 ( 5.084 -3.067 9.889) 11.534 28.576 ( 7.576 -6.768 -14.138) 17.409 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -1.918 6.982 -0.457) 7.255 1.509 ( 1.015 7.010 -3.201) 7.773 1.815 ( 1.297 -1.935 3.739) 4.406 1.885 ( 0.257 -5.041 -3.689) 6.252 2.050 ( 1.985 4.595 6.874) 8.504 2.182 ( 0.716 3.837 -6.137) 7.273 2.304 ( 1.411 11.301 2.898) 11.751 2.373 ( 1.844 10.356 -4.054) 11.273 2.629 ( 5.112 2.922 7.965) 9.905 2.748 ( 3.071 5.875 -2.423) 7.058 2.869 ( 3.091 1.558 6.096) 7.010 2.993 ( -6.118 2.707 -0.686) 6.726 3.116 ( 0.641 -6.791 -1.602) 7.007 3.198 ( -0.970 -6.114 -6.527) 8.996 3.368 ( -3.546 4.700 9.143) 10.875 3.466 ( 1.073 3.843 -1.593) 4.296 3.649 ( 1.859 -3.941 4.838) 6.512 3.715 ( 2.052 -0.212 -2.378) 3.148 3.732 ( 1.975 -0.889 -0.671) 2.267 3.772 ( 1.799 -1.603 -3.129) 3.949 3.867 ( 1.767 -4.186 3.699) 5.859 3.969 ( 1.306 0.202 -6.205) 6.345 4.044 ( -0.600 -1.710 4.540) 4.888 4.159 ( 2.431 -1.617 -6.267) 6.913 4.288 ( 8.461 6.528 9.419) 14.245 4.441 ( 5.349 3.867 -5.872) 8.835 4.572 ( -0.344 -1.335 3.532) 3.791 4.624 ( 1.675 -0.643 -1.025) 2.066 4.794 ( 3.633 0.871 1.179) 3.917 4.821 ( 3.415 1.037 -1.292) 3.796 4.957 ( 12.367 2.191 4.760) 13.432 5.031 ( 11.271 1.291 -2.266) 11.569 5.146 ( 5.177 1.330 7.464) 9.180 5.288 ( 7.807 1.773 -7.111) 10.708 5.481 ( 13.778 -0.190 0.465) 13.787 5.530 ( 12.661 -0.913 -4.758) 13.556 6.871 ( -1.452 2.606 6.139) 6.825 6.983 ( -2.429 1.802 -3.141) 4.360 7.043 ( -4.327 -0.676 3.138) 5.387 7.154 ( -3.687 -1.523 -6.217) 7.387 7.412 ( -0.488 6.815 7.266) 9.974 7.517 ( -0.771 -1.461 0.802) 1.836 7.597 ( -2.959 2.768 -4.401) 5.982 7.625 ( -2.325 -3.410 -3.222) 5.236 7.793 ( -2.056 -2.588 0.719) 3.383 7.805 ( -2.079 -3.127 -0.473) 3.785 7.974 ( -0.475 1.034 2.152) 2.434 8.014 ( -0.321 1.908 -1.994) 2.778 8.568 ( -1.714 -2.687 7.181) 7.857 8.704 ( -3.416 -3.891 -6.858) 8.593 8.880 ( -2.576 -12.471 4.634) 13.551 8.949 ( -1.341 -0.809 -0.521) 1.651 8.974 ( -2.415 2.340 2.935) 4.463 9.099 ( -1.450 10.519 -7.306) 12.890 9.651 ( 1.680 7.405 9.112) 11.861 9.818 ( 2.480 5.653 -7.936) 10.055 10.162 ( 2.268 -3.784 10.101) 11.022 10.356 ( 2.997 -4.560 -9.312) 10.793 10.401 ( -1.769 -7.925 1.963) 8.354 10.477 ( -3.243 -8.181 -6.488) 10.934 10.650 ( -5.955 -1.184 6.072) 8.586 10.761 ( -3.271 -4.490 -4.940) 7.434 10.852 ( -2.700 -12.490 2.452) 13.012 10.911 ( -1.322 -18.305 -2.986) 18.594 12.108 ( -3.377 9.526 6.620) 12.082 12.228 ( -4.910 10.858 -5.928) 13.310 12.744 ( -2.264 -8.163 10.790) 13.718 12.950 ( -1.243 -9.539 -10.711) 14.397 13.540 ( -3.231 18.765 11.432) 22.209 13.774 ( -3.608 18.301 -13.030) 22.753 14.419 ( -3.198 -8.931 10.281) 13.989 14.636 ( -3.037 -8.912 -12.536) 15.678 15.480 ( -1.682 5.896 10.653) 12.292 15.655 ( -0.028 8.978 -5.468) 10.512 15.807 ( 1.856 0.701 13.202) 13.351 16.097 ( 5.034 0.031 -14.822) 15.653 16.684 ( 0.618 -0.749 10.150) 10.196 16.858 ( 2.501 -2.913 -4.733) 6.095 16.887 ( 4.152 -4.509 1.698) 6.360 16.986 ( 6.986 -4.466 -5.387) 9.888 24.522 ( -0.209 0.880 4.416) 4.507 24.616 ( -0.111 0.721 -5.514) 5.562 24.652 ( 0.331 -2.278 3.821) 4.460 24.725 ( 0.925 -1.782 -3.563) 4.090 25.120 ( -2.210 4.641 11.666) 12.748 25.259 ( -1.290 -0.024 9.833) 9.917 25.334 ( -2.463 5.055 -10.111) 11.570 25.446 ( -3.774 0.909 -9.741) 10.486 27.098 ( -2.228 0.610 4.796) 5.324 27.194 ( -1.602 0.370 -4.972) 5.237 27.296 ( -2.482 -5.222 3.807) 6.923 27.378 ( -2.160 -4.744 -4.436) 6.845 27.989 ( -0.462 7.298 7.703) 10.621 28.120 ( -1.072 7.569 -6.111) 9.787 28.433 ( 3.710 -4.245 13.333) 14.476 28.703 ( 4.223 -8.947 -14.737) 17.749 ======================= Grid point 148 (55/60) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.000 6.727 0.945) 6.793 1.524 ( -0.000 6.723 -5.219) 8.511 1.822 ( 0.000 -3.235 2.990) 4.405 1.882 ( 0.000 -6.204 -3.525) 7.135 2.072 ( 0.000 2.811 6.387) 6.978 2.195 ( -0.000 2.772 -5.943) 6.558 2.312 ( -0.000 10.131 3.498) 10.718 2.388 ( -0.000 9.333 -4.220) 10.243 2.754 ( -0.000 0.521 8.092) 8.109 2.818 ( -0.000 16.013 4.366) 16.597 2.825 ( 0.000 1.727 5.814) 6.065 2.918 ( 0.000 -1.564 -3.956) 4.254 3.105 ( 0.000 -11.624 -1.955) 11.787 3.194 ( 0.000 0.127 -8.380) 8.381 3.328 ( 0.000 5.238 11.095) 12.269 3.474 ( 0.000 4.120 -3.494) 5.402 3.664 ( 0.000 -4.474 5.242) 6.891 3.733 ( 0.000 1.211 0.400) 1.276 3.761 ( 0.000 -2.017 -4.061) 4.534 3.782 ( 0.000 -1.911 -2.078) 2.823 3.900 ( 0.000 -2.094 -1.429) 2.535 3.961 ( 0.000 -1.829 -5.650) 5.938 4.030 ( 0.000 -0.986 7.457) 7.522 4.165 ( 0.000 -0.608 -6.411) 6.440 4.438 ( -0.000 4.210 9.413) 10.312 4.497 ( 0.000 -2.056 5.515) 5.885 4.574 ( -0.000 -1.490 -2.537) 2.942 4.590 ( 0.000 2.933 -6.423) 7.061 4.824 ( 0.000 1.019 1.410) 1.739 4.857 ( 0.000 1.406 -2.053) 2.489 5.092 ( 0.000 -2.444 4.574) 5.186 5.147 ( 0.000 -2.720 -1.322) 3.024 5.240 ( -0.000 7.421 9.066) 11.716 5.411 ( -0.000 6.164 -8.711) 10.672 5.643 ( 0.000 0.496 -0.207) 0.538 5.674 ( 0.000 0.923 -3.776) 3.887 6.859 ( 0.000 0.908 5.371) 5.447 6.969 ( 0.000 0.875 -6.028) 6.091 6.980 ( -0.000 -1.654 6.904) 7.100 7.110 ( 0.000 -1.759 -6.774) 6.999 7.408 ( -0.000 7.692 7.482) 10.731 7.514 ( 0.000 -4.102 5.025) 6.487 7.559 ( -0.000 5.034 -8.111) 9.547 7.598 ( 0.000 -4.326 -3.980) 5.879 7.773 ( 0.000 -2.299 0.695) 2.402 7.783 ( 0.000 -2.940 -0.349) 2.961 7.964 ( 0.000 -0.154 2.542) 2.546 8.009 ( 0.000 0.034 -2.166) 2.166 8.540 ( 0.000 -1.344 5.831) 5.984 8.650 ( 0.000 -2.644 -5.679) 6.264 8.848 ( 0.000 -12.476 4.731) 13.343 8.938 ( 0.000 -12.180 -4.595) 13.018 8.947 ( 0.000 14.774 7.095) 16.389 9.084 ( 0.000 12.353 -7.169) 14.282 9.669 ( 0.000 7.267 9.643) 12.074 9.845 ( 0.000 5.441 -8.348) 9.965 10.183 ( 0.000 -3.967 10.557) 11.278 10.380 ( 0.000 -7.190 0.951) 7.253 10.399 ( -0.000 -4.133 -11.692) 12.400 10.428 ( 0.000 -10.323 -4.117) 11.114 10.586 ( 0.000 0.516 6.896) 6.915 10.719 ( 0.000 -0.179 -6.997) 6.999 10.831 ( 0.000 -16.293 4.199) 16.825 10.901 ( 0.000 -20.953 -3.097) 21.181 12.071 ( 0.000 9.550 5.614) 11.078 12.176 ( 0.000 10.811 -5.208) 12.000 12.719 ( 0.000 -8.591 11.296) 14.192 12.937 ( 0.000 -10.722 -11.397) 15.648 13.507 ( 0.000 19.256 11.275) 22.314 13.735 ( 0.000 18.891 -12.604) 22.709 14.388 ( 0.000 -8.713 10.325) 13.510 14.607 ( -0.000 -8.824 -12.702) 15.466 15.460 ( 0.000 6.635 10.230) 12.193 15.644 ( 0.000 10.975 -9.017) 14.205 15.833 ( 0.000 -0.617 17.792) 17.802 16.148 ( 0.000 0.045 -15.011) 15.011 16.691 ( 0.000 0.054 9.736) 9.736 16.867 ( 0.000 -1.334 -8.554) 8.657 16.949 ( 0.000 -5.985 5.960) 8.446 17.061 ( 0.000 -5.082 -5.663) 7.609 24.520 ( -0.000 0.944 4.356) 4.457 24.615 ( -0.000 0.873 -5.757) 5.823 24.656 ( 0.000 -2.427 4.302) 4.939 24.735 ( 0.000 -1.948 -3.783) 4.255 25.097 ( 0.000 4.555 11.220) 12.109 25.244 ( 0.000 -0.271 8.954) 8.958 25.313 ( 0.000 4.503 -11.182) 12.054 25.399 ( -0.000 0.783 -7.420) 7.462 27.074 ( 0.000 0.631 4.950) 4.990 27.176 ( 0.000 0.528 -5.776) 5.800 27.270 ( -0.000 -5.261 4.471) 6.904 27.355 ( 0.000 -4.546 -4.449) 6.361 27.984 ( 0.000 8.043 7.154) 10.764 28.107 ( 0.000 8.463 -5.832) 10.278 28.473 ( 0.000 -4.791 13.707) 14.520 28.747 ( 0.000 -9.636 -14.810) 17.669 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.000 1.725 8.830) 8.997 1.671 ( 0.000 -1.872 4.131) 4.536 1.777 ( 0.000 1.112 -6.461) 6.556 1.816 ( 0.000 -2.840 -10.352) 10.735 2.043 ( 0.000 19.658 9.827) 21.977 2.264 ( 0.000 16.925 -12.770) 21.202 2.371 ( 0.000 -2.924 6.344) 6.986 2.476 ( 0.000 10.841 -4.133) 11.602 2.595 ( 0.000 2.934 -0.346) 2.955 2.667 ( 0.000 -6.607 -8.247) 10.567 2.789 ( 0.000 -5.134 0.148) 5.136 2.813 ( 0.000 -7.135 -2.357) 7.515 2.969 ( 0.000 4.439 1.724) 4.762 3.000 ( 0.000 4.672 -1.002) 4.778 3.109 ( 0.000 -10.626 0.932) 10.667 3.132 ( 0.000 -9.627 -1.087) 9.688 3.447 ( 0.000 3.018 10.276) 10.710 3.486 ( 0.000 -2.126 9.795) 10.023 3.566 ( 0.000 10.499 -0.230) 10.501 3.622 ( 0.000 0.033 -3.644) 3.644 3.760 ( 0.000 4.910 4.924) 6.953 3.901 ( 0.000 8.148 -7.763) 11.254 3.905 ( 0.000 -2.987 4.434) 5.346 3.991 ( 0.000 -0.606 -4.215) 4.259 4.093 ( 0.000 2.066 5.856) 6.210 4.160 ( 0.000 -4.889 9.147) 10.371 4.199 ( 0.000 2.095 -2.481) 3.247 4.326 ( 0.000 -8.670 -5.604) 10.324 4.387 ( 0.000 3.149 13.926) 14.277 4.494 ( 0.000 -6.419 7.583) 9.935 4.668 ( 0.000 0.037 -13.646) 13.646 4.674 ( 0.000 -0.736 -9.614) 9.642 5.032 ( 0.000 3.330 1.702) 3.740 5.068 ( 0.000 3.776 -1.823) 4.193 5.099 ( 0.000 -2.619 2.665) 3.736 5.137 ( 0.000 -2.317 -1.118) 2.572 7.207 ( 0.000 2.742 7.745) 8.216 7.257 ( 0.000 -1.121 11.224) 11.280 7.323 ( 0.000 5.008 -3.355) 6.028 7.418 ( 0.000 2.984 6.883) 7.502 7.421 ( 0.000 -2.256 -4.787) 5.292 7.517 ( 0.000 -8.419 6.474) 10.621 7.597 ( 0.000 4.217 -10.739) 11.537 7.688 ( 0.000 -5.146 -10.638) 11.818 7.957 ( 0.000 3.801 2.599) 4.605 8.015 ( 0.000 5.591 -3.520) 6.607 8.029 ( 0.000 -2.457 4.397) 5.037 8.132 ( 0.000 -5.099 -6.796) 8.496 8.518 ( 0.000 4.359 3.265) 5.446 8.579 ( 0.000 4.373 -3.130) 5.378 8.654 ( 0.000 -9.115 3.641) 9.816 8.719 ( 0.000 -9.773 -3.139) 10.265 9.401 ( 0.000 15.625 1.158) 15.667 9.429 ( 0.000 13.925 -1.940) 14.059 9.585 ( 0.000 -0.556 1.536) 1.634 9.623 ( 0.000 -4.894 -2.855) 5.665 9.917 ( 0.000 0.907 13.516) 13.546 10.101 ( 0.000 -16.392 11.393) 19.963 10.196 ( 0.000 2.251 -15.385) 15.549 10.335 ( 0.000 -11.260 -12.850) 17.086 10.896 ( 0.000 2.977 3.157) 4.339 10.936 ( 0.000 3.368 -1.308) 3.613 10.990 ( 0.000 -5.557 4.432) 7.108 11.053 ( 0.000 -7.062 -2.361) 7.446 12.551 ( 0.000 8.759 13.546) 16.131 12.718 ( 0.000 -6.973 10.149) 12.313 12.815 ( 0.000 5.688 -14.183) 15.281 12.917 ( 0.000 -3.934 -10.553) 11.263 14.288 ( 0.000 14.729 11.626) 18.765 14.508 ( 0.000 15.148 -11.595) 19.076 14.571 ( 0.000 -12.683 11.026) 16.806 14.785 ( 0.000 -11.743 -11.309) 16.303 15.335 ( 0.000 1.624 8.114) 8.275 15.380 ( 0.000 -3.272 11.485) 11.942 15.493 ( 0.000 4.199 -8.372) 9.367 15.588 ( 0.000 -5.132 -10.430) 11.625 16.483 ( 0.000 5.105 7.700) 9.238 16.590 ( 0.000 -4.950 9.779) 10.961 16.623 ( 0.000 7.194 -6.900) 9.968 16.764 ( 0.000 -6.203 -8.458) 10.489 24.556 ( 0.000 1.799 3.695) 4.110 24.600 ( 0.000 -2.361 2.800) 3.663 24.630 ( 0.000 0.881 -4.129) 4.222 24.655 ( 0.000 -1.426 -3.038) 3.356 25.348 ( 0.000 1.178 15.817) 15.861 25.357 ( 0.000 0.548 18.476) 18.484 25.651 ( 0.000 3.808 -15.853) 16.304 25.713 ( 0.000 -1.682 -18.933) 19.007 27.321 ( 0.000 -0.300 4.426) 4.436 27.342 ( 0.000 -2.184 5.167) 5.610 27.401 ( 0.000 0.473 -3.997) 4.025 27.435 ( 0.000 -2.623 -4.672) 5.358 28.045 ( 0.000 3.149 8.519) 9.083 28.085 ( 0.000 -1.222 12.660) 12.718 28.203 ( 0.000 6.264 -7.893) 10.077 28.315 ( 0.000 -4.975 -11.402) 12.440 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.069 3.528 6.546) 7.437 1.693 ( 1.785 -2.395 3.267) 4.426 1.773 ( -3.204 0.576 -7.946) 8.587 1.785 ( 0.264 -0.637 -5.659) 5.701 2.128 ( 5.473 17.340 7.921) 19.834 2.302 ( 1.818 13.652 -9.680) 16.834 2.448 ( 5.220 -4.273 4.635) 8.185 2.501 ( 1.292 10.660 -1.405) 10.829 2.568 ( -2.301 3.795 -0.339) 4.451 2.636 ( -1.842 -5.024 -6.875) 8.712 2.798 ( -0.006 -6.825 -0.957) 6.891 2.812 ( 2.793 -7.378 -2.481) 8.270 3.035 ( 5.349 4.929 1.877) 7.512 3.063 ( 5.825 3.369 -0.737) 6.770 3.177 ( 6.657 -7.865 0.746) 10.331 3.202 ( 6.639 -8.836 -1.318) 11.130 3.507 ( 5.422 1.361 9.037) 10.626 3.532 ( 2.661 -0.473 8.145) 8.581 3.607 ( 2.229 4.378 0.778) 4.973 3.648 ( 3.946 -0.124 -4.432) 5.935 3.786 ( 2.055 8.936 6.696) 11.354 3.914 ( 0.421 4.389 -1.253) 4.583 3.958 ( 3.519 0.478 -0.956) 3.678 4.026 ( 2.965 -1.525 -4.116) 5.297 4.154 ( 6.214 2.387 4.882) 8.256 4.243 ( 5.099 3.073 -1.429) 6.123 4.249 ( 7.745 -5.841 6.727) 11.805 4.393 ( 6.311 -9.071 -5.932) 12.542 4.415 ( 4.113 5.716 10.362) 12.528 4.551 ( 5.549 -6.558 7.777) 11.587 4.641 ( -0.361 3.915 -10.836) 11.527 4.723 ( 3.339 -3.228 -9.258) 10.358 5.032 ( 0.534 4.526 2.084) 5.011 5.069 ( 0.656 3.917 -1.751) 4.341 5.118 ( 1.802 -3.362 1.961) 4.289 5.148 ( 1.197 -3.316 -1.065) 3.683 7.157 ( -6.294 2.132 9.697) 11.756 7.164 ( -3.858 0.944 7.794) 8.747 7.299 ( -2.823 2.047 -5.393) 6.422 7.340 ( -6.436 -0.345 -7.786) 10.108 7.474 ( 3.017 2.110 7.737) 8.569 7.526 ( 0.834 -3.504 6.126) 7.107 7.637 ( 1.551 -0.036 -7.027) 7.197 7.687 ( -0.803 -4.301 -8.892) 9.910 7.918 ( -3.094 4.140 2.004) 5.543 7.958 ( -3.599 4.782 -1.478) 6.165 8.010 ( -2.211 -1.699 1.604) 3.217 8.076 ( -3.480 -3.425 -4.632) 6.730 8.537 ( 1.337 3.158 4.385) 5.567 8.618 ( 2.401 0.483 -3.199) 4.029 8.671 ( 1.370 -8.600 2.164) 8.973 8.731 ( 0.876 -9.262 -3.285) 9.867 9.410 ( 0.442 17.679 1.654) 17.762 9.446 ( 1.296 15.379 -2.390) 15.617 9.621 ( 3.321 0.027 2.317) 4.049 9.669 ( 3.954 -5.306 -2.973) 7.254 9.941 ( 2.156 -0.991 12.688) 12.908 10.094 ( -0.852 -16.140 10.773) 19.423 10.205 ( 0.951 0.368 -13.960) 13.997 10.328 ( -0.886 -11.856 -12.836) 17.496 10.847 ( -4.402 2.835 3.361) 6.222 10.884 ( -4.582 2.690 0.019) 5.314 10.946 ( -4.139 -4.544 2.787) 6.749 11.004 ( -4.490 -6.540 -2.728) 8.389 12.509 ( -3.690 9.550 12.178) 15.910 12.684 ( -3.217 -4.864 7.501) 9.501 12.754 ( -5.176 4.603 -10.037) 12.195 12.888 ( -2.801 -5.992 -10.267) 12.214 14.170 ( -8.878 15.464 11.099) 21.004 14.384 ( -8.823 14.267 -10.308) 19.689 14.470 ( -8.248 -11.939 9.125) 17.142 14.682 ( -8.303 -12.912 -11.902) 19.425 15.439 ( 8.952 2.607 10.914) 14.354 15.476 ( 6.836 -0.823 12.199) 14.008 15.655 ( 12.561 2.207 -9.705) 16.026 15.719 ( 8.993 -3.588 -11.468) 15.009 16.523 ( 3.828 3.441 7.317) 8.946 16.603 ( 1.328 -3.903 9.260) 10.136 16.656 ( 3.365 5.257 -6.339) 8.896 16.772 ( 0.837 -5.534 -8.198) 9.926 24.555 ( -0.048 1.788 3.816) 4.214 24.599 ( -0.068 -2.334 2.975) 3.782 24.632 ( 0.185 0.953 -4.276) 4.385 24.658 ( 0.328 -1.479 -3.302) 3.633 25.325 ( -2.384 1.519 16.058) 16.305 25.335 ( -1.700 0.401 16.035) 16.130 25.613 ( -3.520 3.190 -14.790) 15.534 25.658 ( -4.692 -0.706 -17.102) 17.748 27.271 ( -3.893 0.963 4.535) 6.054 27.305 ( -3.243 -1.851 4.333) 5.720 27.365 ( -2.996 -0.158 -3.740) 4.794 27.406 ( -2.713 -3.576 -4.590) 6.420 28.078 ( 2.308 3.459 9.243) 10.135 28.125 ( 3.924 -0.550 10.644) 11.357 28.249 ( 3.281 4.276 -7.523) 9.255 28.347 ( 3.131 -4.709 -10.947) 12.322 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.219 5.487 1.707) 5.751 1.691 ( -3.778 5.367 -4.100) 7.739 1.732 ( 1.414 -3.564 1.585) 4.149 1.788 ( -0.441 -4.062 -3.950) 5.684 2.198 ( 1.320 12.667 5.513) 13.877 2.311 ( -0.450 8.990 -5.508) 10.553 2.453 ( -2.359 -7.325 1.848) 7.914 2.499 ( -2.011 -1.286 -2.645) 3.563 2.591 ( 4.490 10.809 1.741) 11.833 2.653 ( 2.986 4.186 -4.542) 6.861 2.828 ( 1.815 -7.579 1.491) 7.935 2.870 ( 1.888 -11.574 -3.010) 12.107 3.136 ( 4.115 9.868 4.957) 11.785 3.208 ( 6.564 6.771 -2.795) 9.836 3.348 ( 7.330 -5.948 1.022) 9.495 3.365 ( 7.348 -9.040 0.337) 11.655 3.557 ( 0.194 2.848 8.716) 9.172 3.622 ( 3.012 -3.266 5.468) 7.046 3.663 ( 3.957 1.385 -1.585) 4.482 3.700 ( 0.752 -1.361 -1.354) 2.062 3.884 ( 2.624 5.200 3.629) 6.863 3.908 ( 3.085 3.403 1.944) 4.987 4.038 ( 3.048 0.103 -4.762) 5.655 4.055 ( 0.344 -1.909 -5.895) 6.206 4.295 ( 6.166 5.578 7.848) 11.434 4.403 ( 7.877 3.356 -1.963) 8.784 4.436 ( 7.732 -5.777 4.314) 10.572 4.505 ( 5.321 -1.867 -0.056) 5.639 4.649 ( 14.775 1.795 -1.106) 14.925 4.707 ( 8.115 6.307 -4.635) 11.275 4.736 ( 11.015 -3.830 4.019) 12.335 4.823 ( 6.422 -3.221 -4.615) 8.539 5.082 ( 4.838 4.865 3.572) 7.736 5.135 ( 7.011 2.562 -1.671) 7.650 5.191 ( 6.048 -4.118 0.890) 7.371 5.218 ( 7.500 -4.022 -1.833) 8.705 7.027 ( -5.581 3.651 8.144) 10.526 7.076 ( -4.494 -1.023 6.909) 8.305 7.194 ( -7.042 2.112 -8.065) 10.913 7.219 ( -4.713 -0.603 -6.797) 8.293 7.498 ( -0.704 1.426 5.932) 6.142 7.518 ( -1.695 -1.208 4.577) 5.028 7.624 ( -2.593 -2.351 -3.893) 5.235 7.638 ( -3.471 -3.530 -5.646) 7.509 7.859 ( -2.144 5.006 2.068) 5.825 7.906 ( -1.374 6.624 -2.719) 7.291 7.973 ( -0.844 -2.995 2.376) 3.915 8.035 ( -0.835 -3.181 -3.849) 5.062 8.555 ( 0.162 1.781 5.659) 5.934 8.640 ( -0.197 -4.178 0.385) 4.201 8.692 ( -0.060 -6.013 -2.062) 6.357 8.741 ( -0.121 -8.291 -3.812) 9.126 9.407 ( -0.659 21.626 2.921) 21.832 9.466 ( 0.416 19.008 -3.428) 19.320 9.707 ( 4.380 0.339 3.508) 5.622 9.765 ( 4.724 -6.830 -2.970) 8.819 9.993 ( 2.465 -4.791 11.466) 12.669 10.060 ( -2.334 -16.582 10.105) 19.558 10.231 ( 1.115 -3.214 -12.161) 12.628 10.292 ( -2.444 -11.391 -12.705) 17.238 10.739 ( -5.174 1.404 3.821) 6.583 10.767 ( -6.131 0.992 2.567) 6.721 10.834 ( -5.766 -2.264 -0.475) 6.213 10.882 ( -6.575 -4.776 -3.677) 8.920 12.415 ( -4.789 10.666 9.613) 15.136 12.587 ( -5.775 6.669 -4.087) 9.723 12.638 ( -5.111 -5.316 3.877) 8.331 12.809 ( -4.320 -9.346 -9.680) 14.132 13.999 ( -6.636 15.883 10.934) 20.392 14.221 ( -6.223 14.499 -11.443) 19.490 14.300 ( -7.000 -11.924 9.268) 16.646 14.515 ( -6.689 -12.640 -12.404) 18.931 15.588 ( 3.236 3.470 14.088) 14.865 15.627 ( 7.628 0.296 14.173) 16.098 15.856 ( 4.038 2.966 -11.970) 12.976 15.909 ( 9.624 -1.848 -13.329) 16.544 16.628 ( 4.756 0.132 8.058) 9.358 16.654 ( 4.480 -2.049 7.460) 8.940 16.764 ( 6.537 0.347 -6.106) 8.952 16.802 ( 2.147 -3.044 -7.466) 8.344 24.554 ( -0.088 1.826 4.084) 4.474 24.598 ( 0.019 -2.364 3.480) 4.207 24.636 ( 0.246 1.236 -4.652) 4.819 24.669 ( 0.632 -1.751 -3.914) 4.335 25.262 ( -3.253 2.576 13.954) 14.558 25.292 ( -2.316 -0.520 13.260) 13.471 25.514 ( -5.452 3.056 -12.403) 13.889 25.549 ( -5.230 -0.381 -13.542) 14.522 27.186 ( -3.775 1.763 4.751) 6.319 27.234 ( -3.136 -1.938 3.796) 5.291 27.291 ( -3.670 -0.355 -3.908) 5.373 27.339 ( -3.253 -4.062 -4.822) 7.095 28.124 ( 1.968 6.116 8.996) 11.055 28.223 ( 4.642 -1.328 7.968) 9.317 28.301 ( 1.585 3.906 -5.849) 7.210 28.434 ( 4.455 -6.987 -10.345) 13.255 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -1.784 6.835 -0.951) 7.128 1.642 ( 0.135 5.787 -2.601) 6.347 1.748 ( 0.039 -4.370 -0.565) 4.406 1.765 ( -1.397 -6.253 -2.269) 6.797 2.205 ( -0.010 9.931 5.286) 11.250 2.310 ( 0.535 8.456 -4.860) 9.768 2.415 ( -1.178 -6.263 3.086) 7.081 2.481 ( -0.116 -2.306 -3.447) 4.149 2.675 ( 3.590 7.625 1.750) 8.608 2.734 ( 4.332 1.513 -4.283) 6.277 2.839 ( -0.840 -6.155 1.587) 6.411 2.880 ( -0.953 -10.165 -2.897) 10.613 3.211 ( 3.044 14.523 7.716) 16.725 3.307 ( 2.972 7.667 -2.254) 8.526 3.413 ( -0.742 -0.483 6.314) 6.375 3.479 ( 3.757 -7.138 -0.940) 8.121 3.566 ( 1.023 -0.303 7.597) 7.672 3.628 ( -1.108 -5.328 5.147) 7.490 3.721 ( 1.021 0.030 -4.289) 4.409 3.739 ( 2.128 -1.474 -4.515) 5.205 3.887 ( 0.920 4.551 3.879) 6.050 3.984 ( 0.525 -3.922 4.519) 6.007 4.029 ( -0.011 4.187 -8.652) 9.611 4.109 ( 1.810 -3.203 -7.055) 7.957 4.407 ( 4.478 5.153 7.756) 10.332 4.493 ( 1.418 -1.070 4.107) 4.475 4.537 ( 2.873 0.384 -2.514) 3.837 4.592 ( 2.055 -2.637 -2.740) 4.323 4.850 ( 3.682 3.939 0.586) 5.424 4.875 ( 5.186 4.715 -1.995) 7.287 4.938 ( 6.699 -3.728 2.415) 8.038 4.983 ( 6.596 -4.814 -2.344) 8.496 5.259 ( 11.830 8.218 6.608) 15.848 5.368 ( 13.846 5.771 -4.822) 15.757 5.418 ( 13.612 -5.929 3.534) 15.262 5.483 ( 14.599 -4.197 -3.393) 15.564 6.932 ( -3.380 3.082 6.066) 7.597 6.986 ( -3.776 -1.801 6.017) 7.329 7.063 ( -5.075 2.598 -6.895) 8.947 7.117 ( -4.534 -2.236 -6.983) 8.621 7.471 ( -1.442 -0.253 4.368) 4.607 7.478 ( -1.400 -0.872 4.031) 4.356 7.561 ( -2.717 -2.488 -3.287) 4.938 7.571 ( -2.439 -3.390 -3.818) 5.658 7.826 ( -1.254 6.472 2.600) 7.086 7.882 ( -1.191 7.595 -3.261) 8.351 7.955 ( -1.353 -3.708 2.673) 4.767 8.011 ( -1.751 -3.270 -3.129) 4.853 8.543 ( -1.039 1.262 5.427) 5.668 8.625 ( -0.806 -4.189 1.046) 4.393 8.660 ( -2.422 -4.460 -1.486) 5.289 8.728 ( -0.866 -8.077 -4.485) 9.279 9.390 ( -0.754 24.425 3.988) 24.760 9.467 ( -0.073 21.677 -4.252) 22.090 9.784 ( 2.689 0.994 4.552) 5.379 9.847 ( 2.795 -8.800 -2.747) 9.634 10.005 ( -1.952 -17.798 8.789) 19.945 10.034 ( 0.865 -8.529 11.199) 14.104 10.213 ( -2.464 -6.792 -11.576) 13.646 10.266 ( -0.037 -7.587 -12.162) 14.334 10.647 ( -4.116 0.127 5.291) 6.705 10.661 ( -2.590 -1.890 3.835) 4.999 10.739 ( -3.079 -0.753 -3.274) 4.557 10.760 ( -4.403 -2.114 -4.945) 6.951 12.328 ( -3.214 11.156 7.641) 13.899 12.475 ( -4.252 12.216 -7.388) 14.896 12.552 ( -3.004 -9.982 8.608) 13.519 12.728 ( -3.086 -11.693 -9.351) 15.287 13.901 ( -2.866 15.988 10.841) 19.528 14.126 ( -3.002 15.505 -12.589) 20.196 14.197 ( -2.936 -12.465 10.322) 16.448 14.416 ( -2.915 -12.408 -12.579) 17.908 15.618 ( 0.250 6.986 14.695) 16.273 15.737 ( 3.139 -3.445 16.296) 16.949 15.889 ( 0.011 8.834 -12.539) 15.338 16.047 ( 3.787 -5.305 -15.003) 16.358 16.696 ( 2.448 2.184 8.479) 9.091 16.770 ( 4.797 -4.644 6.881) 9.588 16.849 ( 2.188 0.640 -7.246) 7.597 16.898 ( 5.065 -3.750 -6.235) 8.865 24.552 ( -0.068 1.976 4.335) 4.764 24.600 ( 0.121 -2.558 4.108) 4.841 24.641 ( 0.191 1.648 -5.094) 5.357 24.682 ( 0.570 -2.180 -4.473) 5.008 25.203 ( -2.129 3.143 11.803) 12.398 25.247 ( -1.759 -1.236 11.002) 11.210 25.417 ( -3.267 2.854 -10.499) 11.360 25.452 ( -3.807 -0.538 -10.511) 11.192 27.124 ( -2.122 2.034 4.910) 5.723 27.184 ( -1.584 -3.246 4.229) 5.561 27.226 ( -2.354 0.935 -4.703) 5.342 27.283 ( -1.903 -4.029 -5.042) 6.729 28.156 ( 1.077 8.422 8.087) 11.726 28.295 ( 1.863 5.061 -1.267) 5.540 28.327 ( 1.272 -2.140 3.702) 4.461 28.509 ( 2.458 -9.786 -10.081) 14.263 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 6.864 -0.036) 6.864 1.647 ( 0.000 5.235 -4.256) 6.747 1.741 ( 0.000 -4.914 -0.971) 5.009 1.750 ( 0.000 -5.968 -1.853) 6.249 2.206 ( 0.000 9.470 5.573) 10.988 2.320 ( 0.000 8.939 -6.218) 10.889 2.402 ( 0.000 -5.788 4.813) 7.528 2.481 ( 0.000 -2.455 -3.846) 4.563 2.725 ( -0.000 3.619 2.671) 4.498 2.806 ( -0.000 -4.956 -5.698) 7.552 2.815 ( 0.000 -2.679 1.224) 2.945 2.847 ( 0.000 -5.051 -2.140) 5.485 3.249 ( -0.000 16.944 7.960) 18.721 3.338 ( 0.000 7.380 -1.268) 7.488 3.389 ( 0.000 1.300 10.167) 10.250 3.523 ( 0.000 -3.101 -4.419) 5.399 3.585 ( 0.000 -2.544 5.741) 6.279 3.603 ( -0.000 -8.603 8.260) 11.926 3.733 ( 0.000 -0.348 -7.582) 7.590 3.757 ( 0.000 -1.490 -4.295) 4.547 3.902 ( 0.000 2.870 1.521) 3.248 3.983 ( 0.000 -3.525 6.898) 7.747 4.029 ( 0.000 5.772 -8.145) 9.982 4.126 ( 0.000 -3.271 -7.062) 7.783 4.477 ( 0.000 -0.025 6.327) 6.327 4.482 ( -0.000 0.228 7.762) 7.765 4.573 ( 0.000 1.055 -3.738) 3.884 4.602 ( 0.000 -1.168 -4.772) 4.913 4.886 ( 0.000 4.736 1.610) 5.002 4.924 ( 0.000 5.098 -2.416) 5.641 5.000 ( 0.000 -5.692 2.780) 6.335 5.047 ( 0.000 -6.180 -2.311) 6.598 5.421 ( 0.000 9.302 7.677) 12.061 5.553 ( -0.000 6.829 -6.168) 9.202 5.587 ( 0.000 -5.943 4.375) 7.379 5.660 ( 0.000 -2.952 -3.556) 4.621 6.895 ( 0.000 2.285 5.010) 5.506 6.941 ( -0.000 -2.089 5.811) 6.175 7.005 ( 0.000 2.493 -6.422) 6.889 7.062 ( 0.000 -2.755 -6.892) 7.423 7.452 ( 0.000 -1.224 4.240) 4.414 7.466 ( -0.000 -1.461 4.502) 4.733 7.529 ( 0.000 -1.682 -3.832) 4.185 7.546 ( -0.000 -3.054 -3.813) 4.885 7.811 ( 0.000 6.488 2.636) 7.003 7.866 ( 0.000 7.461 -3.290) 8.154 7.932 ( 0.000 -3.713 2.792) 4.645 7.983 ( 0.000 -3.204 -2.585) 4.117 8.529 ( 0.000 1.416 4.936) 5.135 8.619 ( -0.000 1.118 -4.447) 4.585 8.625 ( 0.000 -8.184 4.841) 9.509 8.717 ( 0.000 -8.306 -4.678) 9.533 9.382 ( 0.000 25.255 4.408) 25.636 9.467 ( 0.000 22.394 -4.581) 22.858 9.812 ( 0.000 2.233 5.279) 5.731 9.876 ( 0.000 -9.670 -2.567) 10.005 9.984 ( 0.000 -20.776 7.813) 22.197 10.042 ( 0.000 -8.595 10.994) 13.955 10.183 ( 0.000 -5.999 -11.526) 12.994 10.263 ( 0.000 -7.698 -11.675) 13.984 10.602 ( 0.000 0.823 5.877) 5.934 10.638 ( 0.000 -4.090 3.887) 5.643 10.707 ( 0.000 -0.749 -3.532) 3.610 10.714 ( 0.000 -0.558 -5.983) 6.009 12.293 ( 0.000 11.255 6.922) 13.213 12.429 ( 0.000 12.949 -7.143) 14.789 12.520 ( 0.000 -10.502 8.813) 13.710 12.694 ( 0.000 -12.531 -9.257) 15.579 13.873 ( 0.000 16.085 10.732) 19.337 14.095 ( 0.000 15.825 -12.523) 20.181 14.168 ( 0.000 -12.511 10.407) 16.274 14.387 ( 0.000 -12.450 -12.560) 17.685 15.618 ( 0.000 8.173 14.749) 16.862 15.768 ( 0.000 -5.670 17.514) 18.409 15.885 ( 0.000 11.577 -13.213) 17.568 16.083 ( 0.000 -6.745 -15.493) 16.897 16.724 ( 0.000 3.361 8.409) 9.056 16.823 ( 0.000 -5.877 7.157) 9.261 16.874 ( 0.000 2.303 -7.255) 7.611 16.954 ( 0.000 -4.978 -6.446) 8.144 24.551 ( 0.000 2.072 4.444) 4.903 24.602 ( 0.000 -2.696 4.410) 5.168 24.643 ( 0.000 1.860 -5.305) 5.621 24.689 ( 0.000 -2.393 -4.695) 5.270 25.180 ( 0.000 3.241 11.048) 11.514 25.227 ( 0.000 -1.442 10.037) 10.140 25.385 ( 0.000 2.240 -10.323) 10.563 25.408 ( -0.000 -0.162 -8.853) 8.854 27.101 ( 0.000 2.146 4.940) 5.386 27.168 ( 0.000 -4.275 4.871) 6.481 27.200 ( 0.000 2.012 -5.440) 5.800 27.263 ( 0.000 -4.004 -5.089) 6.475 28.168 ( 0.000 9.251 7.669) 12.016 28.309 ( 0.000 10.711 -7.098) 12.849 28.345 ( 0.000 -7.568 9.730) 12.327 28.534 ( 0.000 -10.816 -9.945) 14.693 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/26880 10.0 848.437 1091.255 1252.821 0.000 0.000 0.000 3/26880 20.0 115.296 170.740 142.795 0.000 0.000 0.000 3/26880 30.0 41.416 63.899 49.594 0.000 0.000 0.000 3/26880 40.0 22.940 35.869 27.030 0.000 0.000 0.000 3/26880 50.0 15.693 24.406 18.185 0.000 0.000 0.000 3/26880 60.0 11.965 18.388 13.651 0.000 0.000 0.000 3/26880 70.0 9.689 14.720 10.918 0.000 0.000 0.000 3/26880 80.0 8.146 12.265 9.098 0.000 0.000 0.000 3/26880 90.0 7.026 10.516 7.802 0.000 0.000 0.000 3/26880 100.0 6.178 9.212 6.837 0.000 0.000 0.000 3/26880 110.0 5.513 8.206 6.092 0.000 0.000 0.000 3/26880 120.0 4.979 7.408 5.501 0.000 0.000 0.000 3/26880 130.0 4.541 6.759 5.021 0.000 0.000 0.000 3/26880 140.0 4.176 6.222 4.625 0.000 0.000 0.000 3/26880 150.0 3.868 5.768 4.291 0.000 0.000 0.000 3/26880 160.0 3.603 5.381 4.007 0.000 0.000 0.000 3/26880 170.0 3.374 5.046 3.761 0.000 0.000 0.000 3/26880 180.0 3.173 4.752 3.547 0.000 0.000 0.000 3/26880 190.0 2.996 4.493 3.358 0.000 0.000 0.000 3/26880 200.0 2.838 4.262 3.190 0.000 0.000 0.000 3/26880 210.0 2.697 4.055 3.040 0.000 0.000 0.000 3/26880 220.0 2.570 3.868 2.904 0.000 0.000 0.000 3/26880 230.0 2.455 3.699 2.782 0.000 0.000 0.000 3/26880 240.0 2.350 3.544 2.670 0.000 0.000 0.000 3/26880 250.0 2.254 3.402 2.567 0.000 0.000 0.000 3/26880 260.0 2.165 3.271 2.473 0.000 0.000 0.000 3/26880 270.0 2.084 3.151 2.385 0.000 0.000 0.000 3/26880 280.0 2.009 3.039 2.305 0.000 0.000 0.000 3/26880 290.0 1.939 2.935 2.229 0.000 0.000 0.000 3/26880 300.0 1.874 2.838 2.159 0.000 0.000 0.000 3/26880 310.0 1.813 2.748 2.094 0.000 0.000 0.000 3/26880 320.0 1.756 2.663 2.032 0.000 0.000 0.000 3/26880 330.0 1.703 2.583 1.974 0.000 0.000 0.000 3/26880 340.0 1.653 2.508 1.920 0.000 0.000 0.000 3/26880 350.0 1.606 2.438 1.869 0.000 0.000 0.000 3/26880 360.0 1.561 2.371 1.820 0.000 0.000 0.000 3/26880 370.0 1.519 2.308 1.774 0.000 0.000 0.000 3/26880 380.0 1.479 2.248 1.730 0.000 0.000 0.000 3/26880 390.0 1.442 2.192 1.689 0.000 0.000 0.000 3/26880 400.0 1.406 2.138 1.649 0.000 0.000 0.000 3/26880 410.0 1.372 2.086 1.611 0.000 0.000 0.000 3/26880 420.0 1.339 2.038 1.575 0.000 0.000 0.000 3/26880 430.0 1.308 1.991 1.541 0.000 0.000 0.000 3/26880 440.0 1.279 1.946 1.508 0.000 0.000 0.000 3/26880 450.0 1.251 1.904 1.477 0.000 0.000 0.000 3/26880 460.0 1.224 1.863 1.446 0.000 0.000 0.000 3/26880 470.0 1.198 1.824 1.417 0.000 0.000 0.000 3/26880 480.0 1.173 1.787 1.390 0.000 0.000 0.000 3/26880 490.0 1.149 1.751 1.363 0.000 0.000 0.000 3/26880 500.0 1.127 1.717 1.337 0.000 0.000 0.000 3/26880 510.0 1.105 1.683 1.312 0.000 0.000 0.000 3/26880 520.0 1.084 1.652 1.288 0.000 0.000 0.000 3/26880 530.0 1.063 1.621 1.265 0.000 0.000 0.000 3/26880 540.0 1.044 1.591 1.243 0.000 0.000 0.000 3/26880 550.0 1.025 1.563 1.222 0.000 0.000 0.000 3/26880 560.0 1.007 1.535 1.201 0.000 0.000 0.000 3/26880 570.0 0.989 1.509 1.181 0.000 0.000 0.000 3/26880 580.0 0.972 1.483 1.162 0.000 0.000 0.000 3/26880 590.0 0.956 1.458 1.143 0.000 0.000 0.000 3/26880 600.0 0.940 1.434 1.125 0.000 0.000 0.000 3/26880 610.0 0.925 1.411 1.107 0.000 0.000 0.000 3/26880 620.0 0.910 1.389 1.090 0.000 0.000 0.000 3/26880 630.0 0.896 1.367 1.074 0.000 0.000 0.000 3/26880 640.0 0.882 1.346 1.058 0.000 0.000 0.000 3/26880 650.0 0.869 1.326 1.042 0.000 0.000 0.000 3/26880 660.0 0.856 1.306 1.027 0.000 0.000 0.000 3/26880 670.0 0.843 1.287 1.012 0.000 0.000 0.000 3/26880 680.0 0.831 1.268 0.998 0.000 0.000 0.000 3/26880 690.0 0.819 1.250 0.984 0.000 0.000 0.000 3/26880 700.0 0.807 1.232 0.971 0.000 0.000 0.000 3/26880 710.0 0.796 1.215 0.958 0.000 0.000 0.000 3/26880 720.0 0.785 1.198 0.945 0.000 0.000 0.000 3/26880 730.0 0.774 1.182 0.932 0.000 0.000 0.000 3/26880 740.0 0.764 1.166 0.920 0.000 0.000 0.000 3/26880 750.0 0.754 1.151 0.908 0.000 0.000 0.000 3/26880 760.0 0.744 1.136 0.897 0.000 0.000 0.000 3/26880 770.0 0.734 1.121 0.886 0.000 0.000 0.000 3/26880 780.0 0.725 1.107 0.875 0.000 0.000 0.000 3/26880 790.0 0.716 1.093 0.864 0.000 0.000 0.000 3/26880 800.0 0.707 1.080 0.853 0.000 0.000 0.000 3/26880 810.0 0.698 1.067 0.843 0.000 0.000 0.000 3/26880 820.0 0.690 1.054 0.833 0.000 0.000 0.000 3/26880 830.0 0.682 1.041 0.824 0.000 0.000 0.000 3/26880 840.0 0.674 1.029 0.814 0.000 0.000 0.000 3/26880 850.0 0.666 1.017 0.805 0.000 0.000 0.000 3/26880 860.0 0.658 1.005 0.796 0.000 0.000 0.000 3/26880 870.0 0.650 0.994 0.787 0.000 0.000 0.000 3/26880 880.0 0.643 0.983 0.778 0.000 0.000 0.000 3/26880 890.0 0.636 0.972 0.770 0.000 0.000 0.000 3/26880 900.0 0.629 0.961 0.761 0.000 0.000 0.000 3/26880 910.0 0.622 0.950 0.753 0.000 0.000 0.000 3/26880 920.0 0.615 0.940 0.745 0.000 0.000 0.000 3/26880 930.0 0.609 0.930 0.737 0.000 0.000 0.000 3/26880 940.0 0.602 0.920 0.730 0.000 0.000 0.000 3/26880 950.0 0.596 0.911 0.722 0.000 0.000 0.000 3/26880 960.0 0.590 0.901 0.715 0.000 0.000 0.000 3/26880 970.0 0.584 0.892 0.708 0.000 0.000 0.000 3/26880 980.0 0.578 0.883 0.701 0.000 0.000 0.000 3/26880 990.0 0.572 0.874 0.694 0.000 0.000 0.000 3/26880 1000.0 0.566 0.866 0.687 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:05:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|