----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:38:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.914206539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.677678999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.680034269999999 Atomic positions (fractional): *1 Li 0.37009654306084 0.93978556212013 0.87933472245699 6.941 2 Li 0.12990345693916 0.06021443787987 0.37933472245699 6.941 3 Li 0.87009654306084 0.56021443787987 0.62066527754301 6.941 4 Li 0.62990345693916 0.43978556212013 0.12066527754301 6.941 5 Li 0.62990345693916 0.06021443787987 0.12066527754301 6.941 6 Li 0.87009654306084 0.93978556212013 0.62066527754301 6.941 7 Li 0.12990345693916 0.43978556212013 0.37933472245699 6.941 8 Li 0.37009654306084 0.56021443787987 0.87933472245699 6.941 *9 Li 0.39487753165428 0.92123827286894 0.36875423052540 6.941 10 Li 0.10512246834572 0.07876172713106 0.86875423052540 6.941 11 Li 0.89487753165428 0.57876172713106 0.13124576947460 6.941 12 Li 0.60512246834572 0.42123827286894 0.63124576947460 6.941 13 Li 0.60512246834572 0.07876172713106 0.63124576947460 6.941 14 Li 0.89487753165428 0.92123827286894 0.13124576947460 6.941 15 Li 0.10512246834572 0.42123827286894 0.86875423052540 6.941 16 Li 0.39487753165428 0.57876172713106 0.36875423052540 6.941 *17 Tb 0.13415651783942 0.75000000000000 0.63637225285753 158.925 18 Tb 0.36584348216058 0.25000000000000 0.13637225285753 158.925 19 Tb 0.63415651783941 0.75000000000000 0.86362774714247 158.925 20 Tb 0.86584348216059 0.25000000000000 0.36362774714247 158.925 *21 F 0.01078247203899 0.88976138465087 0.86406077388421 18.998 22 F 0.48921752796101 0.11023861534913 0.36406077388421 18.998 23 F 0.51078247203899 0.61023861534913 0.63593922611579 18.998 24 F 0.98921752796101 0.38976138465087 0.13593922611578 18.998 25 F 0.98921752796101 0.11023861534913 0.13593922611578 18.998 26 F 0.51078247203899 0.88976138465087 0.63593922611579 18.998 27 F 0.48921752796101 0.38976138465087 0.36406077388421 18.998 28 F 0.01078247203899 0.61023861534913 0.86406077388421 18.998 *29 F 0.01770633585428 0.88517831584402 0.38693445717493 18.998 30 F 0.48229366414572 0.11482168415598 0.88693445717493 18.998 31 F 0.51770633585428 0.61482168415598 0.11306554282507 18.998 32 F 0.98229366414572 0.38517831584402 0.61306554282507 18.998 33 F 0.98229366414572 0.11482168415598 0.61306554282507 18.998 34 F 0.51770633585428 0.88517831584402 0.11306554282507 18.998 35 F 0.48229366414572 0.38517831584402 0.88693445717493 18.998 36 F 0.01770633585428 0.61482168415598 0.38693445717493 18.998 *37 F 0.23240824560152 0.52930081239390 0.63512399744238 18.998 38 F 0.26759175439848 0.47069918760610 0.13512399744238 18.998 39 F 0.73240824560152 0.97069918760610 0.86487600255762 18.998 40 F 0.76759175439848 0.02930081239390 0.36487600255762 18.998 41 F 0.76759175439848 0.47069918760610 0.36487600255762 18.998 42 F 0.73240824560152 0.52930081239390 0.86487600255762 18.998 43 F 0.26759175439848 0.02930081239390 0.13512399744238 18.998 44 F 0.23240824560152 0.97069918760610 0.63512399744238 18.998 *45 F 0.30466275480634 0.75000000000000 0.88791276077993 18.998 46 F 0.19533724519366 0.25000000000000 0.38791276077993 18.998 47 F 0.80466275480634 0.75000000000000 0.61208723922007 18.998 48 F 0.69533724519366 0.25000000000000 0.11208723922007 18.998 *49 F 0.29890951801136 0.75000000000000 0.37282063203242 18.998 50 F 0.20109048198864 0.25000000000000 0.87282063203242 18.998 51 F 0.79890951801136 0.75000000000000 0.12717936796758 18.998 52 F 0.70109048198864 0.25000000000000 0.62717936796758 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.914206539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.677678999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.680034269999999 Atomic positions (fractional): *1 Li 0.37009654306084 0.93978556212013 0.87933472245699 6.941 > 1 2 Li 0.12990345693916 0.06021443787987 0.37933472245699 6.941 > 2 3 Li 0.87009654306084 0.56021443787987 0.62066527754301 6.941 > 3 4 Li 0.62990345693916 0.43978556212013 0.12066527754301 6.941 > 4 5 Li 0.62990345693916 0.06021443787987 0.12066527754301 6.941 > 5 6 Li 0.87009654306084 0.93978556212013 0.62066527754301 6.941 > 6 7 Li 0.12990345693916 0.43978556212013 0.37933472245699 6.941 > 7 8 Li 0.37009654306084 0.56021443787987 0.87933472245699 6.941 > 8 *9 Li 0.39487753165428 0.92123827286894 0.36875423052540 6.941 > 9 10 Li 0.10512246834572 0.07876172713106 0.86875423052540 6.941 > 10 11 Li 0.89487753165428 0.57876172713106 0.13124576947460 6.941 > 11 12 Li 0.60512246834572 0.42123827286894 0.63124576947460 6.941 > 12 13 Li 0.60512246834572 0.07876172713106 0.63124576947460 6.941 > 13 14 Li 0.89487753165428 0.92123827286894 0.13124576947460 6.941 > 14 15 Li 0.10512246834572 0.42123827286894 0.86875423052540 6.941 > 15 16 Li 0.39487753165428 0.57876172713106 0.36875423052540 6.941 > 16 *17 Tb 0.13415651783942 0.75000000000000 0.63637225285753 158.925 > 17 18 Tb 0.36584348216058 0.25000000000000 0.13637225285753 158.925 > 18 19 Tb 0.63415651783941 0.75000000000000 0.86362774714247 158.925 > 19 20 Tb 0.86584348216059 0.25000000000000 0.36362774714247 158.925 > 20 *21 F 0.01078247203899 0.88976138465087 0.86406077388421 18.998 > 21 22 F 0.48921752796101 0.11023861534913 0.36406077388421 18.998 > 22 23 F 0.51078247203899 0.61023861534913 0.63593922611579 18.998 > 23 24 F 0.98921752796101 0.38976138465087 0.13593922611578 18.998 > 24 25 F 0.98921752796101 0.11023861534913 0.13593922611578 18.998 > 25 26 F 0.51078247203899 0.88976138465087 0.63593922611579 18.998 > 26 27 F 0.48921752796101 0.38976138465087 0.36406077388421 18.998 > 27 28 F 0.01078247203899 0.61023861534913 0.86406077388421 18.998 > 28 *29 F 0.01770633585428 0.88517831584402 0.38693445717493 18.998 > 29 30 F 0.48229366414572 0.11482168415598 0.88693445717493 18.998 > 30 31 F 0.51770633585428 0.61482168415598 0.11306554282507 18.998 > 31 32 F 0.98229366414572 0.38517831584402 0.61306554282507 18.998 > 32 33 F 0.98229366414572 0.11482168415598 0.61306554282507 18.998 > 33 34 F 0.51770633585428 0.88517831584402 0.11306554282507 18.998 > 34 35 F 0.48229366414572 0.38517831584402 0.88693445717493 18.998 > 35 36 F 0.01770633585428 0.61482168415598 0.38693445717493 18.998 > 36 *37 F 0.23240824560152 0.52930081239390 0.63512399744238 18.998 > 37 38 F 0.26759175439848 0.47069918760610 0.13512399744238 18.998 > 38 39 F 0.73240824560152 0.97069918760610 0.86487600255762 18.998 > 39 40 F 0.76759175439848 0.02930081239390 0.36487600255762 18.998 > 40 41 F 0.76759175439848 0.47069918760610 0.36487600255762 18.998 > 41 42 F 0.73240824560152 0.52930081239390 0.86487600255762 18.998 > 42 43 F 0.26759175439848 0.02930081239390 0.13512399744238 18.998 > 43 44 F 0.23240824560152 0.97069918760610 0.63512399744238 18.998 > 44 *45 F 0.30466275480634 0.75000000000000 0.88791276077993 18.998 > 45 46 F 0.19533724519366 0.25000000000000 0.38791276077993 18.998 > 46 47 F 0.80466275480634 0.75000000000000 0.61208723922007 18.998 > 47 48 F 0.69533724519366 0.25000000000000 0.11208723922007 18.998 > 48 *49 F 0.29890951801136 0.75000000000000 0.37282063203242 18.998 > 49 50 F 0.20109048198864 0.25000000000000 0.87282063203242 18.998 > 50 51 F 0.79890951801136 0.75000000000000 0.12717936796758 18.998 > 51 52 F 0.70109048198864 0.25000000000000 0.62717936796758 18.998 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.914206539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.677678999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.360068539999999 Atomic positions (fractional): *1 Li 0.37009654306084 0.93978556212013 0.43966736122849 6.941 > 1 2 Li 0.37009654306084 0.93978556212013 0.93966736122849 6.941 > 1 3 Li 0.12990345693916 0.06021443787987 0.18966736122849 6.941 > 2 4 Li 0.12990345693916 0.06021443787987 0.68966736122849 6.941 > 2 5 Li 0.87009654306084 0.56021443787987 0.31033263877151 6.941 > 3 6 Li 0.87009654306084 0.56021443787987 0.81033263877151 6.941 > 3 7 Li 0.62990345693916 0.43978556212013 0.06033263877151 6.941 > 4 8 Li 0.62990345693916 0.43978556212013 0.56033263877151 6.941 > 4 9 Li 0.62990345693916 0.06021443787987 0.06033263877151 6.941 > 5 10 Li 0.62990345693916 0.06021443787987 0.56033263877151 6.941 > 5 11 Li 0.87009654306084 0.93978556212013 0.31033263877151 6.941 > 6 12 Li 0.87009654306084 0.93978556212013 0.81033263877151 6.941 > 6 13 Li 0.12990345693916 0.43978556212013 0.18966736122849 6.941 > 7 14 Li 0.12990345693916 0.43978556212013 0.68966736122849 6.941 > 7 15 Li 0.37009654306084 0.56021443787987 0.43966736122849 6.941 > 8 16 Li 0.37009654306084 0.56021443787987 0.93966736122849 6.941 > 8 *17 Li 0.39487753165428 0.92123827286894 0.18437711526270 6.941 > 9 18 Li 0.39487753165428 0.92123827286894 0.68437711526270 6.941 > 9 19 Li 0.10512246834572 0.07876172713106 0.43437711526270 6.941 > 10 20 Li 0.10512246834572 0.07876172713106 0.93437711526270 6.941 > 10 21 Li 0.89487753165428 0.57876172713106 0.06562288473730 6.941 > 11 22 Li 0.89487753165428 0.57876172713106 0.56562288473730 6.941 > 11 23 Li 0.60512246834572 0.42123827286894 0.31562288473730 6.941 > 12 24 Li 0.60512246834572 0.42123827286894 0.81562288473730 6.941 > 12 25 Li 0.60512246834572 0.07876172713106 0.31562288473730 6.941 > 13 26 Li 0.60512246834572 0.07876172713106 0.81562288473730 6.941 > 13 27 Li 0.89487753165428 0.92123827286894 0.06562288473730 6.941 > 14 28 Li 0.89487753165428 0.92123827286894 0.56562288473730 6.941 > 14 29 Li 0.10512246834572 0.42123827286894 0.43437711526270 6.941 > 15 30 Li 0.10512246834572 0.42123827286894 0.93437711526270 6.941 > 15 31 Li 0.39487753165428 0.57876172713106 0.18437711526270 6.941 > 16 32 Li 0.39487753165428 0.57876172713106 0.68437711526270 6.941 > 16 *33 Tb 0.13415651783942 0.75000000000000 0.31818612642876 158.925 > 17 34 Tb 0.13415651783942 0.75000000000000 0.81818612642876 158.925 > 17 35 Tb 0.36584348216058 0.25000000000000 0.06818612642876 158.925 > 18 36 Tb 0.36584348216058 0.25000000000000 0.56818612642876 158.925 > 18 37 Tb 0.63415651783941 0.75000000000000 0.43181387357124 158.925 > 19 38 Tb 0.63415651783941 0.75000000000000 0.93181387357124 158.925 > 19 39 Tb 0.86584348216059 0.25000000000000 0.18181387357124 158.925 > 20 40 Tb 0.86584348216059 0.25000000000000 0.68181387357124 158.925 > 20 *41 F 0.01078247203899 0.88976138465087 0.43203038694211 18.998 > 21 42 F 0.01078247203899 0.88976138465087 0.93203038694211 18.998 > 21 43 F 0.48921752796101 0.11023861534913 0.18203038694211 18.998 > 22 44 F 0.48921752796101 0.11023861534913 0.68203038694211 18.998 > 22 45 F 0.51078247203899 0.61023861534913 0.31796961305789 18.998 > 23 46 F 0.51078247203899 0.61023861534913 0.81796961305789 18.998 > 23 47 F 0.98921752796101 0.38976138465087 0.06796961305789 18.998 > 24 48 F 0.98921752796101 0.38976138465087 0.56796961305789 18.998 > 24 49 F 0.98921752796101 0.11023861534913 0.06796961305789 18.998 > 25 50 F 0.98921752796101 0.11023861534913 0.56796961305789 18.998 > 25 51 F 0.51078247203899 0.88976138465087 0.31796961305789 18.998 > 26 52 F 0.51078247203899 0.88976138465087 0.81796961305789 18.998 > 26 53 F 0.48921752796101 0.38976138465087 0.18203038694211 18.998 > 27 54 F 0.48921752796101 0.38976138465087 0.68203038694211 18.998 > 27 55 F 0.01078247203899 0.61023861534913 0.43203038694211 18.998 > 28 56 F 0.01078247203899 0.61023861534913 0.93203038694211 18.998 > 28 *57 F 0.01770633585428 0.88517831584402 0.19346722858747 18.998 > 29 58 F 0.01770633585428 0.88517831584402 0.69346722858747 18.998 > 29 59 F 0.48229366414572 0.11482168415598 0.44346722858747 18.998 > 30 60 F 0.48229366414572 0.11482168415598 0.94346722858747 18.998 > 30 61 F 0.51770633585428 0.61482168415598 0.05653277141253 18.998 > 31 62 F 0.51770633585428 0.61482168415598 0.55653277141253 18.998 > 31 63 F 0.98229366414572 0.38517831584402 0.30653277141253 18.998 > 32 64 F 0.98229366414572 0.38517831584402 0.80653277141253 18.998 > 32 65 F 0.98229366414572 0.11482168415598 0.30653277141253 18.998 > 33 66 F 0.98229366414572 0.11482168415598 0.80653277141253 18.998 > 33 67 F 0.51770633585428 0.88517831584402 0.05653277141253 18.998 > 34 68 F 0.51770633585428 0.88517831584402 0.55653277141253 18.998 > 34 69 F 0.48229366414572 0.38517831584402 0.44346722858747 18.998 > 35 70 F 0.48229366414572 0.38517831584402 0.94346722858747 18.998 > 35 71 F 0.01770633585428 0.61482168415598 0.19346722858747 18.998 > 36 72 F 0.01770633585428 0.61482168415598 0.69346722858747 18.998 > 36 *73 F 0.23240824560152 0.52930081239390 0.31756199872119 18.998 > 37 74 F 0.23240824560152 0.52930081239390 0.81756199872119 18.998 > 37 75 F 0.26759175439848 0.47069918760610 0.06756199872119 18.998 > 38 76 F 0.26759175439848 0.47069918760610 0.56756199872119 18.998 > 38 77 F 0.73240824560152 0.97069918760610 0.43243800127881 18.998 > 39 78 F 0.73240824560152 0.97069918760610 0.93243800127881 18.998 > 39 79 F 0.76759175439848 0.02930081239390 0.18243800127881 18.998 > 40 80 F 0.76759175439848 0.02930081239390 0.68243800127881 18.998 > 40 81 F 0.76759175439848 0.47069918760610 0.18243800127881 18.998 > 41 82 F 0.76759175439848 0.47069918760610 0.68243800127881 18.998 > 41 83 F 0.73240824560152 0.52930081239390 0.43243800127881 18.998 > 42 84 F 0.73240824560152 0.52930081239390 0.93243800127881 18.998 > 42 85 F 0.26759175439848 0.02930081239390 0.06756199872119 18.998 > 43 86 F 0.26759175439848 0.02930081239390 0.56756199872119 18.998 > 43 87 F 0.23240824560152 0.97069918760610 0.31756199872119 18.998 > 44 88 F 0.23240824560152 0.97069918760610 0.81756199872119 18.998 > 44 *89 F 0.30466275480634 0.75000000000000 0.44395638038997 18.998 > 45 90 F 0.30466275480634 0.75000000000000 0.94395638038997 18.998 > 45 91 F 0.19533724519366 0.25000000000000 0.19395638038997 18.998 > 46 92 F 0.19533724519366 0.25000000000000 0.69395638038997 18.998 > 46 93 F 0.80466275480634 0.75000000000000 0.30604361961003 18.998 > 47 94 F 0.80466275480634 0.75000000000000 0.80604361961003 18.998 > 47 95 F 0.69533724519366 0.25000000000000 0.05604361961003 18.998 > 48 96 F 0.69533724519366 0.25000000000000 0.55604361961003 18.998 > 48 *97 F 0.29890951801136 0.75000000000000 0.18641031601621 18.998 > 49 98 F 0.29890951801136 0.75000000000000 0.68641031601621 18.998 > 49 99 F 0.20109048198864 0.25000000000000 0.43641031601621 18.998 > 50 100 F 0.20109048198864 0.25000000000000 0.93641031601621 18.998 > 50 101 F 0.79890951801136 0.75000000000000 0.06358968398379 18.998 > 51 102 F 0.79890951801136 0.75000000000000 0.56358968398379 18.998 > 51 103 F 0.70109048198864 0.25000000000000 0.31358968398379 18.998 > 52 104 F 0.70109048198864 0.25000000000000 0.81358968398379 18.998 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 50.9826811 0.0000000 0.0000000 0.0000000 41.0556738 0.0000000 0.0000000 0.0000000 47.6708530 -------------------------- Born effective charges -------------------------- 1 Li 1.0839313 0.0689156 0.2079024 0.2179507 0.8583392 0.0924871 0.5668495 0.1704112 0.7252820 2 Li 1.0839313 0.0689156 -0.2079024 0.2179507 0.8583392 -0.0924871 -0.5668495 -0.1704112 0.7252820 3 Li 1.0839313 -0.0689156 -0.2079024 -0.2179507 0.8583392 0.0924871 -0.5668495 0.1704112 0.7252820 4 Li 1.0839313 -0.0689156 0.2079024 -0.2179507 0.8583392 -0.0924871 0.5668495 -0.1704112 0.7252820 5 Li 1.0839313 0.0689156 0.2079024 0.2179507 0.8583392 0.0924871 0.5668495 0.1704112 0.7252820 6 Li 1.0839313 0.0689156 -0.2079024 0.2179507 0.8583392 -0.0924871 -0.5668495 -0.1704112 0.7252820 7 Li 1.0839313 -0.0689156 -0.2079024 -0.2179507 0.8583392 0.0924871 -0.5668495 0.1704112 0.7252820 8 Li 1.0839313 -0.0689156 0.2079024 -0.2179507 0.8583392 -0.0924871 0.5668495 -0.1704112 0.7252820 9 Li 0.8697185 -0.3285940 0.0582494 0.2778391 0.9844622 0.0016140 0.1476371 -0.7517091 1.7081885 10 Li 0.8697185 -0.3285940 -0.0582494 0.2778391 0.9844622 -0.0016140 -0.1476371 0.7517091 1.7081885 11 Li 0.8697185 0.3285940 -0.0582494 -0.2778391 0.9844622 0.0016140 -0.1476371 -0.7517091 1.7081885 12 Li 0.8697185 0.3285940 0.0582494 -0.2778391 0.9844622 -0.0016140 0.1476371 0.7517091 1.7081885 13 Li 0.8697185 -0.3285940 0.0582494 0.2778391 0.9844622 0.0016140 0.1476371 -0.7517091 1.7081885 14 Li 0.8697185 -0.3285940 -0.0582494 0.2778391 0.9844622 -0.0016140 -0.1476371 0.7517091 1.7081885 15 Li 0.8697185 0.3285940 -0.0582494 -0.2778391 0.9844622 0.0016140 -0.1476371 -0.7517091 1.7081885 16 Li 0.8697185 0.3285940 0.0582494 -0.2778391 0.9844622 -0.0016140 0.1476371 0.7517091 1.7081885 17 Tb 3.7194075 0.0000000 -0.1525978 0.0000000 4.5886279 0.0000000 0.4596346 0.0000000 1.0452576 18 Tb 3.7194075 0.0000000 0.1525978 0.0000000 4.5886279 0.0000000 -0.4596346 0.0000000 1.0452576 19 Tb 3.7194075 0.0000000 0.1525978 0.0000000 4.5886279 0.0000000 -0.4596346 0.0000000 1.0452576 20 Tb 3.7194075 0.0000000 -0.1525978 0.0000000 4.5886279 0.0000000 0.4596346 0.0000000 1.0452576 21 F -0.9253841 0.2181627 -0.0346290 0.3180504 -0.6209922 -0.2978104 0.4494413 -0.4475629 -1.1568886 22 F -0.9253841 0.2181627 0.0346290 0.3180504 -0.6209922 0.2978104 -0.4494413 0.4475629 -1.1568886 23 F -0.9253841 -0.2181627 0.0346290 -0.3180504 -0.6209922 -0.2978104 -0.4494413 -0.4475629 -1.1568886 24 F -0.9253841 -0.2181627 -0.0346290 -0.3180504 -0.6209922 0.2978104 0.4494413 0.4475629 -1.1568886 25 F -0.9253841 0.2181627 -0.0346290 0.3180504 -0.6209922 -0.2978104 0.4494413 -0.4475629 -1.1568886 26 F -0.9253841 0.2181627 0.0346290 0.3180504 -0.6209922 0.2978104 -0.4494413 0.4475629 -1.1568886 27 F -0.9253841 -0.2181627 0.0346290 -0.3180504 -0.6209922 -0.2978104 -0.4494413 -0.4475629 -1.1568886 28 F -0.9253841 -0.2181627 -0.0346290 -0.3180504 -0.6209922 0.2978104 0.4494413 0.4475629 -1.1568886 29 F -0.6360962 0.3190338 -0.0284345 0.2384922 -1.1749380 0.6376791 0.0901043 0.0998550 -0.3382129 30 F -0.6360962 0.3190338 0.0284345 0.2384922 -1.1749380 -0.6376791 -0.0901043 -0.0998550 -0.3382129 31 F -0.6360962 -0.3190338 0.0284345 -0.2384922 -1.1749380 0.6376791 -0.0901043 0.0998550 -0.3382129 32 F -0.6360962 -0.3190338 -0.0284345 -0.2384922 -1.1749380 -0.6376791 0.0901043 -0.0998550 -0.3382129 33 F -0.6360962 0.3190338 -0.0284345 0.2384922 -1.1749380 0.6376791 0.0901043 0.0998550 -0.3382129 34 F -0.6360962 0.3190338 0.0284345 0.2384922 -1.1749380 -0.6376791 -0.0901043 -0.0998550 -0.3382129 35 F -0.6360962 -0.3190338 0.0284345 -0.2384922 -1.1749380 0.6376791 -0.0901043 0.0998550 -0.3382129 36 F -0.6360962 -0.3190338 -0.0284345 -0.2384922 -1.1749380 -0.6376791 0.0901043 -0.0998550 -0.3382129 37 F -1.1569785 -0.1975724 0.0205303 0.0969508 -1.0729994 0.0175190 -0.1460969 -0.0123473 -0.7285912 38 F -1.1569785 -0.1975724 -0.0205303 0.0969508 -1.0729994 -0.0175190 0.1460969 0.0123473 -0.7285912 39 F -1.1569785 0.1975724 -0.0205303 -0.0969508 -1.0729994 0.0175190 0.1460969 -0.0123473 -0.7285912 40 F -1.1569785 0.1975724 0.0205303 -0.0969508 -1.0729994 -0.0175190 -0.1460969 0.0123473 -0.7285912 41 F -1.1569785 -0.1975724 0.0205303 0.0969508 -1.0729994 0.0175190 -0.1460969 -0.0123473 -0.7285912 42 F -1.1569785 -0.1975724 -0.0205303 0.0969508 -1.0729994 -0.0175190 0.1460969 0.0123473 -0.7285912 43 F -1.1569785 0.1975724 -0.0205303 -0.0969508 -1.0729994 0.0175190 0.1460969 -0.0123473 -0.7285912 44 F -1.1569785 0.1975724 0.0205303 -0.0969508 -1.0729994 -0.0175190 -0.1460969 0.0123473 -0.7285912 45 F -0.8451105 0.0000000 -0.8627735 0.0000000 -1.3493443 0.0000000 -0.6333949 0.0000000 -0.6911642 46 F -0.8451105 0.0000000 0.8627735 0.0000000 -1.3493443 0.0000000 0.6333949 0.0000000 -0.6911642 47 F -0.8451105 0.0000000 0.8627735 0.0000000 -1.3493443 0.0000000 0.6333949 0.0000000 -0.6911642 48 F -0.8451105 0.0000000 -0.8627735 0.0000000 -1.3493443 0.0000000 -0.6333949 0.0000000 -0.6911642 49 F -1.3446792 0.0000000 0.5674941 0.0000000 -1.1870275 0.0000000 -0.3532066 0.0000000 -0.7736492 50 F -1.3446792 0.0000000 -0.5674941 0.0000000 -1.1870275 0.0000000 0.3532066 0.0000000 -0.7736492 51 F -1.3446792 0.0000000 -0.5674941 0.0000000 -1.1870275 0.0000000 0.3532066 0.0000000 -0.7736492 52 F -1.3446792 0.0000000 0.5674941 0.0000000 -1.1870275 0.0000000 -0.3532066 0.0000000 -0.7736492 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3177 Number of blocks in projector: 3177 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: 712 Use submatrix version of eigh solver. (1) Block: 500 / 712 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 712 / 712 (1) 196 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 640 / 640 (1) 130 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 640 / 640 (1) 134 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 395 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 395 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 395 Use standard eigh solver. Tree of FC basis block matrices: - (3177, 3117), data: False |-- (395, 387), data: True |-- (395, 387), data: True |-- (395, 387), data: True |-- (640, 630), data: False |-- (640, 6), data: (640, 16) @ (16, 6) |-- (140, 134), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (640, 630), data: False |-- (640, 10), data: (640, 20) @ (20, 10) |-- (140, 130), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (712, 696), data: False |-- (712, 16), data: (712, 32) @ (32, 16) |-- (212, 196), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 800 - Time: 0.785 Solver_block: 200 / 800 - Time: 0.716 Solver_block: 300 / 800 - Time: 0.700 Solver_block: 400 / 800 - Time: 0.697 Solver_block: 500 / 800 - Time: 0.697 Solver_block: 600 / 800 - Time: 0.701 Solver_block: 700 / 800 - Time: 0.696 Solver_block: 800 / 800 - Time: 0.715 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.850 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3177 Number of blocks in projector: 3177 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: 712 Use submatrix version of eigh solver. (1) Block: 500 / 712 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 712 / 712 (1) 196 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 640 / 640 (1) 130 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 640 / 640 (1) 134 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 395 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 395 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 395 Use standard eigh solver. Tree of FC basis block matrices: - (3177, 3117), data: False |-- (395, 387), data: True |-- (395, 387), data: True |-- (395, 387), data: True |-- (640, 630), data: False |-- (640, 6), data: (640, 16) @ (16, 6) |-- (140, 134), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (640, 630), data: False |-- (640, 10), data: (640, 20) @ (20, 10) |-- (140, 130), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (712, 696), data: False |-- (712, 16), data: (712, 32) @ (32, 16) |-- (212, 196), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), 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 09:39:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:39:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.914206539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.677678999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.680034269999999 Atomic positions (fractional): 1 Li 0.37009654306084 0.93978556212013 0.87933472245699 6.941 2 Li 0.12990345693916 0.06021443787987 0.37933472245699 6.941 3 Li 0.87009654306084 0.56021443787987 0.62066527754301 6.941 4 Li 0.62990345693916 0.43978556212013 0.12066527754301 6.941 5 Li 0.62990345693916 0.06021443787987 0.12066527754301 6.941 6 Li 0.87009654306084 0.93978556212013 0.62066527754301 6.941 7 Li 0.12990345693916 0.43978556212013 0.37933472245699 6.941 8 Li 0.37009654306084 0.56021443787987 0.87933472245699 6.941 9 Li 0.39487753165428 0.92123827286894 0.36875423052540 6.941 10 Li 0.10512246834572 0.07876172713106 0.86875423052540 6.941 11 Li 0.89487753165428 0.57876172713106 0.13124576947460 6.941 12 Li 0.60512246834572 0.42123827286894 0.63124576947460 6.941 13 Li 0.60512246834572 0.07876172713106 0.63124576947460 6.941 14 Li 0.89487753165428 0.92123827286894 0.13124576947460 6.941 15 Li 0.10512246834572 0.42123827286894 0.86875423052540 6.941 16 Li 0.39487753165428 0.57876172713106 0.36875423052540 6.941 17 Tb 0.13415651783942 0.75000000000000 0.63637225285753 158.925 18 Tb 0.36584348216058 0.25000000000000 0.13637225285753 158.925 19 Tb 0.63415651783941 0.75000000000000 0.86362774714247 158.925 20 Tb 0.86584348216059 0.25000000000000 0.36362774714247 158.925 21 F 0.01078247203899 0.88976138465087 0.86406077388421 18.998 22 F 0.48921752796101 0.11023861534913 0.36406077388421 18.998 23 F 0.51078247203899 0.61023861534913 0.63593922611579 18.998 24 F 0.98921752796101 0.38976138465087 0.13593922611578 18.998 25 F 0.98921752796101 0.11023861534913 0.13593922611578 18.998 26 F 0.51078247203899 0.88976138465087 0.63593922611579 18.998 27 F 0.48921752796101 0.38976138465087 0.36406077388421 18.998 28 F 0.01078247203899 0.61023861534913 0.86406077388421 18.998 29 F 0.01770633585428 0.88517831584402 0.38693445717493 18.998 30 F 0.48229366414572 0.11482168415598 0.88693445717493 18.998 31 F 0.51770633585428 0.61482168415598 0.11306554282507 18.998 32 F 0.98229366414572 0.38517831584402 0.61306554282507 18.998 33 F 0.98229366414572 0.11482168415598 0.61306554282507 18.998 34 F 0.51770633585428 0.88517831584402 0.11306554282507 18.998 35 F 0.48229366414572 0.38517831584402 0.88693445717493 18.998 36 F 0.01770633585428 0.61482168415598 0.38693445717493 18.998 37 F 0.23240824560152 0.52930081239390 0.63512399744238 18.998 38 F 0.26759175439848 0.47069918760610 0.13512399744238 18.998 39 F 0.73240824560152 0.97069918760610 0.86487600255762 18.998 40 F 0.76759175439848 0.02930081239390 0.36487600255762 18.998 41 F 0.76759175439848 0.47069918760610 0.36487600255762 18.998 42 F 0.73240824560152 0.52930081239390 0.86487600255762 18.998 43 F 0.26759175439848 0.02930081239390 0.13512399744238 18.998 44 F 0.23240824560152 0.97069918760610 0.63512399744238 18.998 45 F 0.30466275480634 0.75000000000000 0.88791276077993 18.998 46 F 0.19533724519366 0.25000000000000 0.38791276077993 18.998 47 F 0.80466275480634 0.75000000000000 0.61208723922007 18.998 48 F 0.69533724519366 0.25000000000000 0.11208723922007 18.998 49 F 0.29890951801136 0.75000000000000 0.37282063203242 18.998 50 F 0.20109048198864 0.25000000000000 0.87282063203242 18.998 51 F 0.79890951801136 0.75000000000000 0.12717936796758 18.998 52 F 0.70109048198864 0.25000000000000 0.62717936796758 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.914206539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.677678999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.360068539999999 Atomic positions (fractional): 1 Li 0.37009654306084 0.93978556212013 0.43966736122849 6.941 > 1 2 Li 0.37009654306084 0.93978556212013 0.93966736122849 6.941 > 1 3 Li 0.12990345693916 0.06021443787987 0.18966736122849 6.941 > 3 4 Li 0.12990345693916 0.06021443787987 0.68966736122849 6.941 > 3 5 Li 0.87009654306084 0.56021443787987 0.31033263877151 6.941 > 5 6 Li 0.87009654306084 0.56021443787987 0.81033263877151 6.941 > 5 7 Li 0.62990345693916 0.43978556212013 0.06033263877151 6.941 > 7 8 Li 0.62990345693916 0.43978556212013 0.56033263877151 6.941 > 7 9 Li 0.62990345693916 0.06021443787987 0.06033263877151 6.941 > 9 10 Li 0.62990345693916 0.06021443787987 0.56033263877151 6.941 > 9 11 Li 0.87009654306084 0.93978556212013 0.31033263877151 6.941 > 11 12 Li 0.87009654306084 0.93978556212013 0.81033263877151 6.941 > 11 13 Li 0.12990345693916 0.43978556212013 0.18966736122849 6.941 > 13 14 Li 0.12990345693916 0.43978556212013 0.68966736122849 6.941 > 13 15 Li 0.37009654306084 0.56021443787987 0.43966736122849 6.941 > 15 16 Li 0.37009654306084 0.56021443787987 0.93966736122849 6.941 > 15 17 Li 0.39487753165428 0.92123827286894 0.18437711526270 6.941 > 17 18 Li 0.39487753165428 0.92123827286894 0.68437711526270 6.941 > 17 19 Li 0.10512246834572 0.07876172713106 0.43437711526270 6.941 > 19 20 Li 0.10512246834572 0.07876172713106 0.93437711526270 6.941 > 19 21 Li 0.89487753165428 0.57876172713106 0.06562288473730 6.941 > 21 22 Li 0.89487753165428 0.57876172713106 0.56562288473730 6.941 > 21 23 Li 0.60512246834572 0.42123827286894 0.31562288473730 6.941 > 23 24 Li 0.60512246834572 0.42123827286894 0.81562288473730 6.941 > 23 25 Li 0.60512246834572 0.07876172713106 0.31562288473730 6.941 > 25 26 Li 0.60512246834572 0.07876172713106 0.81562288473730 6.941 > 25 27 Li 0.89487753165428 0.92123827286894 0.06562288473730 6.941 > 27 28 Li 0.89487753165428 0.92123827286894 0.56562288473730 6.941 > 27 29 Li 0.10512246834572 0.42123827286894 0.43437711526270 6.941 > 29 30 Li 0.10512246834572 0.42123827286894 0.93437711526270 6.941 > 29 31 Li 0.39487753165428 0.57876172713106 0.18437711526270 6.941 > 31 32 Li 0.39487753165428 0.57876172713106 0.68437711526270 6.941 > 31 33 Tb 0.13415651783942 0.75000000000000 0.31818612642876 158.925 > 33 34 Tb 0.13415651783942 0.75000000000000 0.81818612642876 158.925 > 33 35 Tb 0.36584348216058 0.25000000000000 0.06818612642876 158.925 > 35 36 Tb 0.36584348216058 0.25000000000000 0.56818612642876 158.925 > 35 37 Tb 0.63415651783941 0.75000000000000 0.43181387357124 158.925 > 37 38 Tb 0.63415651783941 0.75000000000000 0.93181387357124 158.925 > 37 39 Tb 0.86584348216059 0.25000000000000 0.18181387357124 158.925 > 39 40 Tb 0.86584348216059 0.25000000000000 0.68181387357124 158.925 > 39 41 F 0.01078247203899 0.88976138465087 0.43203038694211 18.998 > 41 42 F 0.01078247203899 0.88976138465087 0.93203038694211 18.998 > 41 43 F 0.48921752796101 0.11023861534913 0.18203038694211 18.998 > 43 44 F 0.48921752796101 0.11023861534913 0.68203038694211 18.998 > 43 45 F 0.51078247203899 0.61023861534913 0.31796961305789 18.998 > 45 46 F 0.51078247203899 0.61023861534913 0.81796961305789 18.998 > 45 47 F 0.98921752796101 0.38976138465087 0.06796961305789 18.998 > 47 48 F 0.98921752796101 0.38976138465087 0.56796961305789 18.998 > 47 49 F 0.98921752796101 0.11023861534913 0.06796961305789 18.998 > 49 50 F 0.98921752796101 0.11023861534913 0.56796961305789 18.998 > 49 51 F 0.51078247203899 0.88976138465087 0.31796961305789 18.998 > 51 52 F 0.51078247203899 0.88976138465087 0.81796961305789 18.998 > 51 53 F 0.48921752796101 0.38976138465087 0.18203038694211 18.998 > 53 54 F 0.48921752796101 0.38976138465087 0.68203038694211 18.998 > 53 55 F 0.01078247203899 0.61023861534913 0.43203038694211 18.998 > 55 56 F 0.01078247203899 0.61023861534913 0.93203038694211 18.998 > 55 57 F 0.01770633585428 0.88517831584402 0.19346722858747 18.998 > 57 58 F 0.01770633585428 0.88517831584402 0.69346722858747 18.998 > 57 59 F 0.48229366414572 0.11482168415598 0.44346722858747 18.998 > 59 60 F 0.48229366414572 0.11482168415598 0.94346722858747 18.998 > 59 61 F 0.51770633585428 0.61482168415598 0.05653277141253 18.998 > 61 62 F 0.51770633585428 0.61482168415598 0.55653277141253 18.998 > 61 63 F 0.98229366414572 0.38517831584402 0.30653277141253 18.998 > 63 64 F 0.98229366414572 0.38517831584402 0.80653277141253 18.998 > 63 65 F 0.98229366414572 0.11482168415598 0.30653277141253 18.998 > 65 66 F 0.98229366414572 0.11482168415598 0.80653277141253 18.998 > 65 67 F 0.51770633585428 0.88517831584402 0.05653277141253 18.998 > 67 68 F 0.51770633585428 0.88517831584402 0.55653277141253 18.998 > 67 69 F 0.48229366414572 0.38517831584402 0.44346722858747 18.998 > 69 70 F 0.48229366414572 0.38517831584402 0.94346722858747 18.998 > 69 71 F 0.01770633585428 0.61482168415598 0.19346722858747 18.998 > 71 72 F 0.01770633585428 0.61482168415598 0.69346722858747 18.998 > 71 73 F 0.23240824560152 0.52930081239390 0.31756199872119 18.998 > 73 74 F 0.23240824560152 0.52930081239390 0.81756199872119 18.998 > 73 75 F 0.26759175439848 0.47069918760610 0.06756199872119 18.998 > 75 76 F 0.26759175439848 0.47069918760610 0.56756199872119 18.998 > 75 77 F 0.73240824560152 0.97069918760610 0.43243800127881 18.998 > 77 78 F 0.73240824560152 0.97069918760610 0.93243800127881 18.998 > 77 79 F 0.76759175439848 0.02930081239390 0.18243800127881 18.998 > 79 80 F 0.76759175439848 0.02930081239390 0.68243800127881 18.998 > 79 81 F 0.76759175439848 0.47069918760610 0.18243800127881 18.998 > 81 82 F 0.76759175439848 0.47069918760610 0.68243800127881 18.998 > 81 83 F 0.73240824560152 0.52930081239390 0.43243800127881 18.998 > 83 84 F 0.73240824560152 0.52930081239390 0.93243800127881 18.998 > 83 85 F 0.26759175439848 0.02930081239390 0.06756199872119 18.998 > 85 86 F 0.26759175439848 0.02930081239390 0.56756199872119 18.998 > 85 87 F 0.23240824560152 0.97069918760610 0.31756199872119 18.998 > 87 88 F 0.23240824560152 0.97069918760610 0.81756199872119 18.998 > 87 89 F 0.30466275480634 0.75000000000000 0.44395638038997 18.998 > 89 90 F 0.30466275480634 0.75000000000000 0.94395638038997 18.998 > 89 91 F 0.19533724519366 0.25000000000000 0.19395638038997 18.998 > 91 92 F 0.19533724519366 0.25000000000000 0.69395638038997 18.998 > 91 93 F 0.80466275480634 0.75000000000000 0.30604361961003 18.998 > 93 94 F 0.80466275480634 0.75000000000000 0.80604361961003 18.998 > 93 95 F 0.69533724519366 0.25000000000000 0.05604361961003 18.998 > 95 96 F 0.69533724519366 0.25000000000000 0.55604361961003 18.998 > 95 97 F 0.29890951801136 0.75000000000000 0.18641031601621 18.998 > 97 98 F 0.29890951801136 0.75000000000000 0.68641031601621 18.998 > 97 99 F 0.20109048198864 0.25000000000000 0.43641031601621 18.998 > 99 100 F 0.20109048198864 0.25000000000000 0.93641031601621 18.998 > 99 101 F 0.79890951801136 0.75000000000000 0.06358968398379 18.998 > 101 102 F 0.79890951801136 0.75000000000000 0.56358968398379 18.998 > 101 103 F 0.70109048198864 0.25000000000000 0.31358968398379 18.998 > 103 104 F 0.70109048198864 0.25000000000000 0.81358968398379 18.998 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 50.9826811 0.0000000 0.0000000 0.0000000 41.0556738 0.0000000 0.0000000 0.0000000 47.6708530 -------------------------- Born effective charges -------------------------- 1 Li 1.0839313 0.0689156 0.2079024 0.2179507 0.8583392 0.0924871 0.5668495 0.1704112 0.7252820 2 Li 1.0839313 0.0689156 -0.2079024 0.2179507 0.8583392 -0.0924871 -0.5668495 -0.1704112 0.7252820 3 Li 1.0839313 -0.0689156 -0.2079024 -0.2179507 0.8583392 0.0924871 -0.5668495 0.1704112 0.7252820 4 Li 1.0839313 -0.0689156 0.2079024 -0.2179507 0.8583392 -0.0924871 0.5668495 -0.1704112 0.7252820 5 Li 1.0839313 0.0689156 0.2079024 0.2179507 0.8583392 0.0924871 0.5668495 0.1704112 0.7252820 6 Li 1.0839313 0.0689156 -0.2079024 0.2179507 0.8583392 -0.0924871 -0.5668495 -0.1704112 0.7252820 7 Li 1.0839313 -0.0689156 -0.2079024 -0.2179507 0.8583392 0.0924871 -0.5668495 0.1704112 0.7252820 8 Li 1.0839313 -0.0689156 0.2079024 -0.2179507 0.8583392 -0.0924871 0.5668495 -0.1704112 0.7252820 9 Li 0.8697185 -0.3285940 0.0582494 0.2778391 0.9844622 0.0016140 0.1476371 -0.7517091 1.7081885 10 Li 0.8697185 -0.3285940 -0.0582494 0.2778391 0.9844622 -0.0016140 -0.1476371 0.7517091 1.7081885 11 Li 0.8697185 0.3285940 -0.0582494 -0.2778391 0.9844622 0.0016140 -0.1476371 -0.7517091 1.7081885 12 Li 0.8697185 0.3285940 0.0582494 -0.2778391 0.9844622 -0.0016140 0.1476371 0.7517091 1.7081885 13 Li 0.8697185 -0.3285940 0.0582494 0.2778391 0.9844622 0.0016140 0.1476371 -0.7517091 1.7081885 14 Li 0.8697185 -0.3285940 -0.0582494 0.2778391 0.9844622 -0.0016140 -0.1476371 0.7517091 1.7081885 15 Li 0.8697185 0.3285940 -0.0582494 -0.2778391 0.9844622 0.0016140 -0.1476371 -0.7517091 1.7081885 16 Li 0.8697185 0.3285940 0.0582494 -0.2778391 0.9844622 -0.0016140 0.1476371 0.7517091 1.7081885 17 Tb 3.7194075 0.0000000 -0.1525978 0.0000000 4.5886279 0.0000000 0.4596346 0.0000000 1.0452576 18 Tb 3.7194075 0.0000000 0.1525978 0.0000000 4.5886279 0.0000000 -0.4596346 0.0000000 1.0452576 19 Tb 3.7194075 0.0000000 0.1525978 0.0000000 4.5886279 0.0000000 -0.4596346 0.0000000 1.0452576 20 Tb 3.7194075 0.0000000 -0.1525978 0.0000000 4.5886279 0.0000000 0.4596346 0.0000000 1.0452576 21 F -0.9253841 0.2181627 -0.0346290 0.3180504 -0.6209922 -0.2978104 0.4494413 -0.4475629 -1.1568886 22 F -0.9253841 0.2181627 0.0346290 0.3180504 -0.6209922 0.2978104 -0.4494413 0.4475629 -1.1568886 23 F -0.9253841 -0.2181627 0.0346290 -0.3180504 -0.6209922 -0.2978104 -0.4494413 -0.4475629 -1.1568886 24 F -0.9253841 -0.2181627 -0.0346290 -0.3180504 -0.6209922 0.2978104 0.4494413 0.4475629 -1.1568886 25 F -0.9253841 0.2181627 -0.0346290 0.3180504 -0.6209922 -0.2978104 0.4494413 -0.4475629 -1.1568886 26 F -0.9253841 0.2181627 0.0346290 0.3180504 -0.6209922 0.2978104 -0.4494413 0.4475629 -1.1568886 27 F -0.9253841 -0.2181627 0.0346290 -0.3180504 -0.6209922 -0.2978104 -0.4494413 -0.4475629 -1.1568886 28 F -0.9253841 -0.2181627 -0.0346290 -0.3180504 -0.6209922 0.2978104 0.4494413 0.4475629 -1.1568886 29 F -0.6360962 0.3190338 -0.0284345 0.2384922 -1.1749380 0.6376791 0.0901043 0.0998550 -0.3382129 30 F -0.6360962 0.3190338 0.0284345 0.2384922 -1.1749380 -0.6376791 -0.0901043 -0.0998550 -0.3382129 31 F -0.6360962 -0.3190338 0.0284345 -0.2384922 -1.1749380 0.6376791 -0.0901043 0.0998550 -0.3382129 32 F -0.6360962 -0.3190338 -0.0284345 -0.2384922 -1.1749380 -0.6376791 0.0901043 -0.0998550 -0.3382129 33 F -0.6360962 0.3190338 -0.0284345 0.2384922 -1.1749380 0.6376791 0.0901043 0.0998550 -0.3382129 34 F -0.6360962 0.3190338 0.0284345 0.2384922 -1.1749380 -0.6376791 -0.0901043 -0.0998550 -0.3382129 35 F -0.6360962 -0.3190338 0.0284345 -0.2384922 -1.1749380 0.6376791 -0.0901043 0.0998550 -0.3382129 36 F -0.6360962 -0.3190338 -0.0284345 -0.2384922 -1.1749380 -0.6376791 0.0901043 -0.0998550 -0.3382129 37 F -1.1569785 -0.1975724 0.0205303 0.0969508 -1.0729994 0.0175190 -0.1460969 -0.0123473 -0.7285912 38 F -1.1569785 -0.1975724 -0.0205303 0.0969508 -1.0729994 -0.0175190 0.1460969 0.0123473 -0.7285912 39 F -1.1569785 0.1975724 -0.0205303 -0.0969508 -1.0729994 0.0175190 0.1460969 -0.0123473 -0.7285912 40 F -1.1569785 0.1975724 0.0205303 -0.0969508 -1.0729994 -0.0175190 -0.1460969 0.0123473 -0.7285912 41 F -1.1569785 -0.1975724 0.0205303 0.0969508 -1.0729994 0.0175190 -0.1460969 -0.0123473 -0.7285912 42 F -1.1569785 -0.1975724 -0.0205303 0.0969508 -1.0729994 -0.0175190 0.1460969 0.0123473 -0.7285912 43 F -1.1569785 0.1975724 -0.0205303 -0.0969508 -1.0729994 0.0175190 0.1460969 -0.0123473 -0.7285912 44 F -1.1569785 0.1975724 0.0205303 -0.0969508 -1.0729994 -0.0175190 -0.1460969 0.0123473 -0.7285912 45 F -0.8451105 0.0000000 -0.8627735 0.0000000 -1.3493443 0.0000000 -0.6333949 0.0000000 -0.6911642 46 F -0.8451105 0.0000000 0.8627735 0.0000000 -1.3493443 0.0000000 0.6333949 0.0000000 -0.6911642 47 F -0.8451105 0.0000000 0.8627735 0.0000000 -1.3493443 0.0000000 0.6333949 0.0000000 -0.6911642 48 F -0.8451105 0.0000000 -0.8627735 0.0000000 -1.3493443 0.0000000 -0.6333949 0.0000000 -0.6911642 49 F -1.3446792 0.0000000 0.5674941 0.0000000 -1.1870275 0.0000000 -0.3532066 0.0000000 -0.7736492 50 F -1.3446792 0.0000000 -0.5674941 0.0000000 -1.1870275 0.0000000 0.3532066 0.0000000 -0.7736492 51 F -1.3446792 0.0000000 -0.5674941 0.0000000 -1.1870275 0.0000000 0.3532066 0.0000000 -0.7736492 52 F -1.3446792 0.0000000 0.5674941 0.0000000 -1.1870275 0.0000000 -0.3532066 0.0000000 -0.7736492 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 41, 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[ 57, 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[ 73, 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[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 09:40:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:40:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.914206539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.677678999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.680034269999999 Atomic positions (fractional): 1 Li 0.37009654306084 0.93978556212013 0.87933472245699 6.941 2 Li 0.12990345693916 0.06021443787987 0.37933472245699 6.941 3 Li 0.87009654306084 0.56021443787987 0.62066527754301 6.941 4 Li 0.62990345693916 0.43978556212013 0.12066527754301 6.941 5 Li 0.62990345693916 0.06021443787987 0.12066527754301 6.941 6 Li 0.87009654306084 0.93978556212013 0.62066527754301 6.941 7 Li 0.12990345693916 0.43978556212013 0.37933472245699 6.941 8 Li 0.37009654306084 0.56021443787987 0.87933472245699 6.941 9 Li 0.39487753165428 0.92123827286894 0.36875423052540 6.941 10 Li 0.10512246834572 0.07876172713106 0.86875423052540 6.941 11 Li 0.89487753165428 0.57876172713106 0.13124576947460 6.941 12 Li 0.60512246834572 0.42123827286894 0.63124576947460 6.941 13 Li 0.60512246834572 0.07876172713106 0.63124576947460 6.941 14 Li 0.89487753165428 0.92123827286894 0.13124576947460 6.941 15 Li 0.10512246834572 0.42123827286894 0.86875423052540 6.941 16 Li 0.39487753165428 0.57876172713106 0.36875423052540 6.941 17 Tb 0.13415651783942 0.75000000000000 0.63637225285753 158.925 18 Tb 0.36584348216058 0.25000000000000 0.13637225285753 158.925 19 Tb 0.63415651783941 0.75000000000000 0.86362774714247 158.925 20 Tb 0.86584348216059 0.25000000000000 0.36362774714247 158.925 21 F 0.01078247203899 0.88976138465087 0.86406077388421 18.998 22 F 0.48921752796101 0.11023861534913 0.36406077388421 18.998 23 F 0.51078247203899 0.61023861534913 0.63593922611579 18.998 24 F 0.98921752796101 0.38976138465087 0.13593922611578 18.998 25 F 0.98921752796101 0.11023861534913 0.13593922611578 18.998 26 F 0.51078247203899 0.88976138465087 0.63593922611579 18.998 27 F 0.48921752796101 0.38976138465087 0.36406077388421 18.998 28 F 0.01078247203899 0.61023861534913 0.86406077388421 18.998 29 F 0.01770633585428 0.88517831584402 0.38693445717493 18.998 30 F 0.48229366414572 0.11482168415598 0.88693445717493 18.998 31 F 0.51770633585428 0.61482168415598 0.11306554282507 18.998 32 F 0.98229366414572 0.38517831584402 0.61306554282507 18.998 33 F 0.98229366414572 0.11482168415598 0.61306554282507 18.998 34 F 0.51770633585428 0.88517831584402 0.11306554282507 18.998 35 F 0.48229366414572 0.38517831584402 0.88693445717493 18.998 36 F 0.01770633585428 0.61482168415598 0.38693445717493 18.998 37 F 0.23240824560152 0.52930081239390 0.63512399744238 18.998 38 F 0.26759175439848 0.47069918760610 0.13512399744238 18.998 39 F 0.73240824560152 0.97069918760610 0.86487600255762 18.998 40 F 0.76759175439848 0.02930081239390 0.36487600255762 18.998 41 F 0.76759175439848 0.47069918760610 0.36487600255762 18.998 42 F 0.73240824560152 0.52930081239390 0.86487600255762 18.998 43 F 0.26759175439848 0.02930081239390 0.13512399744238 18.998 44 F 0.23240824560152 0.97069918760610 0.63512399744238 18.998 45 F 0.30466275480634 0.75000000000000 0.88791276077993 18.998 46 F 0.19533724519366 0.25000000000000 0.38791276077993 18.998 47 F 0.80466275480634 0.75000000000000 0.61208723922007 18.998 48 F 0.69533724519366 0.25000000000000 0.11208723922007 18.998 49 F 0.29890951801136 0.75000000000000 0.37282063203242 18.998 50 F 0.20109048198864 0.25000000000000 0.87282063203242 18.998 51 F 0.79890951801136 0.75000000000000 0.12717936796758 18.998 52 F 0.70109048198864 0.25000000000000 0.62717936796758 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.914206539999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.677678999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.360068539999999 Atomic positions (fractional): 1 Li 0.37009654306084 0.93978556212013 0.43966736122849 6.941 > 1 2 Li 0.37009654306084 0.93978556212013 0.93966736122849 6.941 > 1 3 Li 0.12990345693916 0.06021443787987 0.18966736122849 6.941 > 3 4 Li 0.12990345693916 0.06021443787987 0.68966736122849 6.941 > 3 5 Li 0.87009654306084 0.56021443787987 0.31033263877151 6.941 > 5 6 Li 0.87009654306084 0.56021443787987 0.81033263877151 6.941 > 5 7 Li 0.62990345693916 0.43978556212013 0.06033263877151 6.941 > 7 8 Li 0.62990345693916 0.43978556212013 0.56033263877151 6.941 > 7 9 Li 0.62990345693916 0.06021443787987 0.06033263877151 6.941 > 9 10 Li 0.62990345693916 0.06021443787987 0.56033263877151 6.941 > 9 11 Li 0.87009654306084 0.93978556212013 0.31033263877151 6.941 > 11 12 Li 0.87009654306084 0.93978556212013 0.81033263877151 6.941 > 11 13 Li 0.12990345693916 0.43978556212013 0.18966736122849 6.941 > 13 14 Li 0.12990345693916 0.43978556212013 0.68966736122849 6.941 > 13 15 Li 0.37009654306084 0.56021443787987 0.43966736122849 6.941 > 15 16 Li 0.37009654306084 0.56021443787987 0.93966736122849 6.941 > 15 17 Li 0.39487753165428 0.92123827286894 0.18437711526270 6.941 > 17 18 Li 0.39487753165428 0.92123827286894 0.68437711526270 6.941 > 17 19 Li 0.10512246834572 0.07876172713106 0.43437711526270 6.941 > 19 20 Li 0.10512246834572 0.07876172713106 0.93437711526270 6.941 > 19 21 Li 0.89487753165428 0.57876172713106 0.06562288473730 6.941 > 21 22 Li 0.89487753165428 0.57876172713106 0.56562288473730 6.941 > 21 23 Li 0.60512246834572 0.42123827286894 0.31562288473730 6.941 > 23 24 Li 0.60512246834572 0.42123827286894 0.81562288473730 6.941 > 23 25 Li 0.60512246834572 0.07876172713106 0.31562288473730 6.941 > 25 26 Li 0.60512246834572 0.07876172713106 0.81562288473730 6.941 > 25 27 Li 0.89487753165428 0.92123827286894 0.06562288473730 6.941 > 27 28 Li 0.89487753165428 0.92123827286894 0.56562288473730 6.941 > 27 29 Li 0.10512246834572 0.42123827286894 0.43437711526270 6.941 > 29 30 Li 0.10512246834572 0.42123827286894 0.93437711526270 6.941 > 29 31 Li 0.39487753165428 0.57876172713106 0.18437711526270 6.941 > 31 32 Li 0.39487753165428 0.57876172713106 0.68437711526270 6.941 > 31 33 Tb 0.13415651783942 0.75000000000000 0.31818612642876 158.925 > 33 34 Tb 0.13415651783942 0.75000000000000 0.81818612642876 158.925 > 33 35 Tb 0.36584348216058 0.25000000000000 0.06818612642876 158.925 > 35 36 Tb 0.36584348216058 0.25000000000000 0.56818612642876 158.925 > 35 37 Tb 0.63415651783941 0.75000000000000 0.43181387357124 158.925 > 37 38 Tb 0.63415651783941 0.75000000000000 0.93181387357124 158.925 > 37 39 Tb 0.86584348216059 0.25000000000000 0.18181387357124 158.925 > 39 40 Tb 0.86584348216059 0.25000000000000 0.68181387357124 158.925 > 39 41 F 0.01078247203899 0.88976138465087 0.43203038694211 18.998 > 41 42 F 0.01078247203899 0.88976138465087 0.93203038694211 18.998 > 41 43 F 0.48921752796101 0.11023861534913 0.18203038694211 18.998 > 43 44 F 0.48921752796101 0.11023861534913 0.68203038694211 18.998 > 43 45 F 0.51078247203899 0.61023861534913 0.31796961305789 18.998 > 45 46 F 0.51078247203899 0.61023861534913 0.81796961305789 18.998 > 45 47 F 0.98921752796101 0.38976138465087 0.06796961305789 18.998 > 47 48 F 0.98921752796101 0.38976138465087 0.56796961305789 18.998 > 47 49 F 0.98921752796101 0.11023861534913 0.06796961305789 18.998 > 49 50 F 0.98921752796101 0.11023861534913 0.56796961305789 18.998 > 49 51 F 0.51078247203899 0.88976138465087 0.31796961305789 18.998 > 51 52 F 0.51078247203899 0.88976138465087 0.81796961305789 18.998 > 51 53 F 0.48921752796101 0.38976138465087 0.18203038694211 18.998 > 53 54 F 0.48921752796101 0.38976138465087 0.68203038694211 18.998 > 53 55 F 0.01078247203899 0.61023861534913 0.43203038694211 18.998 > 55 56 F 0.01078247203899 0.61023861534913 0.93203038694211 18.998 > 55 57 F 0.01770633585428 0.88517831584402 0.19346722858747 18.998 > 57 58 F 0.01770633585428 0.88517831584402 0.69346722858747 18.998 > 57 59 F 0.48229366414572 0.11482168415598 0.44346722858747 18.998 > 59 60 F 0.48229366414572 0.11482168415598 0.94346722858747 18.998 > 59 61 F 0.51770633585428 0.61482168415598 0.05653277141253 18.998 > 61 62 F 0.51770633585428 0.61482168415598 0.55653277141253 18.998 > 61 63 F 0.98229366414572 0.38517831584402 0.30653277141253 18.998 > 63 64 F 0.98229366414572 0.38517831584402 0.80653277141253 18.998 > 63 65 F 0.98229366414572 0.11482168415598 0.30653277141253 18.998 > 65 66 F 0.98229366414572 0.11482168415598 0.80653277141253 18.998 > 65 67 F 0.51770633585428 0.88517831584402 0.05653277141253 18.998 > 67 68 F 0.51770633585428 0.88517831584402 0.55653277141253 18.998 > 67 69 F 0.48229366414572 0.38517831584402 0.44346722858747 18.998 > 69 70 F 0.48229366414572 0.38517831584402 0.94346722858747 18.998 > 69 71 F 0.01770633585428 0.61482168415598 0.19346722858747 18.998 > 71 72 F 0.01770633585428 0.61482168415598 0.69346722858747 18.998 > 71 73 F 0.23240824560152 0.52930081239390 0.31756199872119 18.998 > 73 74 F 0.23240824560152 0.52930081239390 0.81756199872119 18.998 > 73 75 F 0.26759175439848 0.47069918760610 0.06756199872119 18.998 > 75 76 F 0.26759175439848 0.47069918760610 0.56756199872119 18.998 > 75 77 F 0.73240824560152 0.97069918760610 0.43243800127881 18.998 > 77 78 F 0.73240824560152 0.97069918760610 0.93243800127881 18.998 > 77 79 F 0.76759175439848 0.02930081239390 0.18243800127881 18.998 > 79 80 F 0.76759175439848 0.02930081239390 0.68243800127881 18.998 > 79 81 F 0.76759175439848 0.47069918760610 0.18243800127881 18.998 > 81 82 F 0.76759175439848 0.47069918760610 0.68243800127881 18.998 > 81 83 F 0.73240824560152 0.52930081239390 0.43243800127881 18.998 > 83 84 F 0.73240824560152 0.52930081239390 0.93243800127881 18.998 > 83 85 F 0.26759175439848 0.02930081239390 0.06756199872119 18.998 > 85 86 F 0.26759175439848 0.02930081239390 0.56756199872119 18.998 > 85 87 F 0.23240824560152 0.97069918760610 0.31756199872119 18.998 > 87 88 F 0.23240824560152 0.97069918760610 0.81756199872119 18.998 > 87 89 F 0.30466275480634 0.75000000000000 0.44395638038997 18.998 > 89 90 F 0.30466275480634 0.75000000000000 0.94395638038997 18.998 > 89 91 F 0.19533724519366 0.25000000000000 0.19395638038997 18.998 > 91 92 F 0.19533724519366 0.25000000000000 0.69395638038997 18.998 > 91 93 F 0.80466275480634 0.75000000000000 0.30604361961003 18.998 > 93 94 F 0.80466275480634 0.75000000000000 0.80604361961003 18.998 > 93 95 F 0.69533724519366 0.25000000000000 0.05604361961003 18.998 > 95 96 F 0.69533724519366 0.25000000000000 0.55604361961003 18.998 > 95 97 F 0.29890951801136 0.75000000000000 0.18641031601621 18.998 > 97 98 F 0.29890951801136 0.75000000000000 0.68641031601621 18.998 > 97 99 F 0.20109048198864 0.25000000000000 0.43641031601621 18.998 > 99 100 F 0.20109048198864 0.25000000000000 0.93641031601621 18.998 > 99 101 F 0.79890951801136 0.75000000000000 0.06358968398379 18.998 > 101 102 F 0.79890951801136 0.75000000000000 0.56358968398379 18.998 > 101 103 F 0.70109048198864 0.25000000000000 0.31358968398379 18.998 > 103 104 F 0.70109048198864 0.25000000000000 0.81358968398379 18.998 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 50.9826811 0.0000000 0.0000000 0.0000000 41.0556738 0.0000000 0.0000000 0.0000000 47.6708530 -------------------------- Born effective charges -------------------------- 1 Li 1.0839313 0.0689156 0.2079024 0.2179507 0.8583392 0.0924871 0.5668495 0.1704112 0.7252820 2 Li 1.0839313 0.0689156 -0.2079024 0.2179507 0.8583392 -0.0924871 -0.5668495 -0.1704112 0.7252820 3 Li 1.0839313 -0.0689156 -0.2079024 -0.2179507 0.8583392 0.0924871 -0.5668495 0.1704112 0.7252820 4 Li 1.0839313 -0.0689156 0.2079024 -0.2179507 0.8583392 -0.0924871 0.5668495 -0.1704112 0.7252820 5 Li 1.0839313 0.0689156 0.2079024 0.2179507 0.8583392 0.0924871 0.5668495 0.1704112 0.7252820 6 Li 1.0839313 0.0689156 -0.2079024 0.2179507 0.8583392 -0.0924871 -0.5668495 -0.1704112 0.7252820 7 Li 1.0839313 -0.0689156 -0.2079024 -0.2179507 0.8583392 0.0924871 -0.5668495 0.1704112 0.7252820 8 Li 1.0839313 -0.0689156 0.2079024 -0.2179507 0.8583392 -0.0924871 0.5668495 -0.1704112 0.7252820 9 Li 0.8697185 -0.3285940 0.0582494 0.2778391 0.9844622 0.0016140 0.1476371 -0.7517091 1.7081885 10 Li 0.8697185 -0.3285940 -0.0582494 0.2778391 0.9844622 -0.0016140 -0.1476371 0.7517091 1.7081885 11 Li 0.8697185 0.3285940 -0.0582494 -0.2778391 0.9844622 0.0016140 -0.1476371 -0.7517091 1.7081885 12 Li 0.8697185 0.3285940 0.0582494 -0.2778391 0.9844622 -0.0016140 0.1476371 0.7517091 1.7081885 13 Li 0.8697185 -0.3285940 0.0582494 0.2778391 0.9844622 0.0016140 0.1476371 -0.7517091 1.7081885 14 Li 0.8697185 -0.3285940 -0.0582494 0.2778391 0.9844622 -0.0016140 -0.1476371 0.7517091 1.7081885 15 Li 0.8697185 0.3285940 -0.0582494 -0.2778391 0.9844622 0.0016140 -0.1476371 -0.7517091 1.7081885 16 Li 0.8697185 0.3285940 0.0582494 -0.2778391 0.9844622 -0.0016140 0.1476371 0.7517091 1.7081885 17 Tb 3.7194075 0.0000000 -0.1525978 0.0000000 4.5886279 0.0000000 0.4596346 0.0000000 1.0452576 18 Tb 3.7194075 0.0000000 0.1525978 0.0000000 4.5886279 0.0000000 -0.4596346 0.0000000 1.0452576 19 Tb 3.7194075 0.0000000 0.1525978 0.0000000 4.5886279 0.0000000 -0.4596346 0.0000000 1.0452576 20 Tb 3.7194075 0.0000000 -0.1525978 0.0000000 4.5886279 0.0000000 0.4596346 0.0000000 1.0452576 21 F -0.9253841 0.2181627 -0.0346290 0.3180504 -0.6209922 -0.2978104 0.4494413 -0.4475629 -1.1568886 22 F -0.9253841 0.2181627 0.0346290 0.3180504 -0.6209922 0.2978104 -0.4494413 0.4475629 -1.1568886 23 F -0.9253841 -0.2181627 0.0346290 -0.3180504 -0.6209922 -0.2978104 -0.4494413 -0.4475629 -1.1568886 24 F -0.9253841 -0.2181627 -0.0346290 -0.3180504 -0.6209922 0.2978104 0.4494413 0.4475629 -1.1568886 25 F -0.9253841 0.2181627 -0.0346290 0.3180504 -0.6209922 -0.2978104 0.4494413 -0.4475629 -1.1568886 26 F -0.9253841 0.2181627 0.0346290 0.3180504 -0.6209922 0.2978104 -0.4494413 0.4475629 -1.1568886 27 F -0.9253841 -0.2181627 0.0346290 -0.3180504 -0.6209922 -0.2978104 -0.4494413 -0.4475629 -1.1568886 28 F -0.9253841 -0.2181627 -0.0346290 -0.3180504 -0.6209922 0.2978104 0.4494413 0.4475629 -1.1568886 29 F -0.6360962 0.3190338 -0.0284345 0.2384922 -1.1749380 0.6376791 0.0901043 0.0998550 -0.3382129 30 F -0.6360962 0.3190338 0.0284345 0.2384922 -1.1749380 -0.6376791 -0.0901043 -0.0998550 -0.3382129 31 F -0.6360962 -0.3190338 0.0284345 -0.2384922 -1.1749380 0.6376791 -0.0901043 0.0998550 -0.3382129 32 F -0.6360962 -0.3190338 -0.0284345 -0.2384922 -1.1749380 -0.6376791 0.0901043 -0.0998550 -0.3382129 33 F -0.6360962 0.3190338 -0.0284345 0.2384922 -1.1749380 0.6376791 0.0901043 0.0998550 -0.3382129 34 F -0.6360962 0.3190338 0.0284345 0.2384922 -1.1749380 -0.6376791 -0.0901043 -0.0998550 -0.3382129 35 F -0.6360962 -0.3190338 0.0284345 -0.2384922 -1.1749380 0.6376791 -0.0901043 0.0998550 -0.3382129 36 F -0.6360962 -0.3190338 -0.0284345 -0.2384922 -1.1749380 -0.6376791 0.0901043 -0.0998550 -0.3382129 37 F -1.1569785 -0.1975724 0.0205303 0.0969508 -1.0729994 0.0175190 -0.1460969 -0.0123473 -0.7285912 38 F -1.1569785 -0.1975724 -0.0205303 0.0969508 -1.0729994 -0.0175190 0.1460969 0.0123473 -0.7285912 39 F -1.1569785 0.1975724 -0.0205303 -0.0969508 -1.0729994 0.0175190 0.1460969 -0.0123473 -0.7285912 40 F -1.1569785 0.1975724 0.0205303 -0.0969508 -1.0729994 -0.0175190 -0.1460969 0.0123473 -0.7285912 41 F -1.1569785 -0.1975724 0.0205303 0.0969508 -1.0729994 0.0175190 -0.1460969 -0.0123473 -0.7285912 42 F -1.1569785 -0.1975724 -0.0205303 0.0969508 -1.0729994 -0.0175190 0.1460969 0.0123473 -0.7285912 43 F -1.1569785 0.1975724 -0.0205303 -0.0969508 -1.0729994 0.0175190 0.1460969 -0.0123473 -0.7285912 44 F -1.1569785 0.1975724 0.0205303 -0.0969508 -1.0729994 -0.0175190 -0.1460969 0.0123473 -0.7285912 45 F -0.8451105 0.0000000 -0.8627735 0.0000000 -1.3493443 0.0000000 -0.6333949 0.0000000 -0.6911642 46 F -0.8451105 0.0000000 0.8627735 0.0000000 -1.3493443 0.0000000 0.6333949 0.0000000 -0.6911642 47 F -0.8451105 0.0000000 0.8627735 0.0000000 -1.3493443 0.0000000 0.6333949 0.0000000 -0.6911642 48 F -0.8451105 0.0000000 -0.8627735 0.0000000 -1.3493443 0.0000000 -0.6333949 0.0000000 -0.6911642 49 F -1.3446792 0.0000000 0.5674941 0.0000000 -1.1870275 0.0000000 -0.3532066 0.0000000 -0.7736492 50 F -1.3446792 0.0000000 -0.5674941 0.0000000 -1.1870275 0.0000000 0.3532066 0.0000000 -0.7736492 51 F -1.3446792 0.0000000 -0.5674941 0.0000000 -1.1870275 0.0000000 0.3532066 0.0000000 -0.7736492 52 F -1.3446792 0.0000000 0.5674941 0.0000000 -1.1870275 0.0000000 -0.3532066 0.0000000 -0.7736492 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) 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 ... [ 5 5 9 ] 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: 0.51, Number of G-points: 291, Lambda: 0.36 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 45 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 1.760 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.503 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.745 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.766 ( 0.000 0.000 0.000) 0.000 5.768 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000 6.220 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.319 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.678 ( 0.000 0.000 0.000) 0.000 7.013 ( 0.000 0.000 0.000) 0.000 7.147 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.483 ( 0.000 0.000 0.000) 0.000 7.561 ( 0.000 0.000 0.000) 0.000 7.566 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 7.649 ( 0.000 0.000 0.000) 0.000 7.697 ( 0.000 0.000 0.000) 0.000 7.800 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.212 ( 0.000 0.000 0.000) 0.000 8.374 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.640 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 9.011 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 9.167 ( 0.000 0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 9.200 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.649 ( 0.000 0.000 0.000) 0.000 9.691 ( 0.000 0.000 0.000) 0.000 9.851 ( 0.000 0.000 0.000) 0.000 9.974 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.055 ( 0.000 0.000 0.000) 0.000 10.122 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.202 ( 0.000 0.000 0.000) 0.000 10.400 ( 0.000 0.000 0.000) 0.000 10.420 ( 0.000 0.000 0.000) 0.000 10.501 ( 0.000 0.000 0.000) 0.000 10.735 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.848 ( 0.000 0.000 0.000) 0.000 10.871 ( 0.000 0.000 0.000) 0.000 10.932 ( 0.000 0.000 0.000) 0.000 10.998 ( 0.000 0.000 0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 11.078 ( 0.000 0.000 0.000) 0.000 11.146 ( 0.000 0.000 0.000) 0.000 11.155 ( 0.000 0.000 0.000) 0.000 11.174 ( 0.000 0.000 0.000) 0.000 11.244 ( 0.000 0.000 0.000) 0.000 11.374 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 0.000) 0.000 11.387 ( 0.000 0.000 0.000) 0.000 11.406 ( 0.000 0.000 0.000) 0.000 11.421 ( 0.000 0.000 0.000) 0.000 11.469 ( 0.000 0.000 0.000) 0.000 11.499 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 0.000 0.000) 0.000 11.612 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.642 ( 0.000 0.000 0.000) 0.000 11.747 ( 0.000 0.000 0.000) 0.000 11.810 ( 0.000 0.000 0.000) 0.000 11.969 ( 0.000 0.000 0.000) 0.000 12.060 ( 0.000 0.000 0.000) 0.000 12.074 ( 0.000 0.000 0.000) 0.000 12.091 ( 0.000 0.000 0.000) 0.000 12.122 ( 0.000 0.000 0.000) 0.000 12.160 ( 0.000 0.000 0.000) 0.000 12.521 ( 0.000 0.000 0.000) 0.000 12.633 ( 0.000 0.000 0.000) 0.000 12.635 ( 0.000 0.000 0.000) 0.000 12.644 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 12.781 ( 0.000 0.000 0.000) 0.000 12.785 ( 0.000 0.000 0.000) 0.000 12.791 ( 0.000 0.000 0.000) 0.000 13.039 ( 0.000 0.000 0.000) 0.000 13.087 ( 0.000 0.000 0.000) 0.000 13.158 ( 0.000 0.000 0.000) 0.000 13.234 ( 0.000 0.000 0.000) 0.000 13.482 ( 0.000 0.000 0.000) 0.000 13.788 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 24.013 0.000 0.000) 24.013 0.613 ( 30.081 0.000 0.000) 30.081 0.876 ( 40.498 0.000 0.000) 40.498 1.652 ( -8.746 0.000 0.000) 8.746 1.937 ( 1.206 0.000 0.000) 1.206 1.998 ( 2.299 0.000 0.000) 2.299 2.015 ( 3.445 0.000 0.000) 3.445 2.241 ( -20.135 0.000 0.000) 20.135 2.429 ( -6.530 0.000 0.000) 6.530 2.598 ( -5.086 0.000 0.000) 5.086 2.628 ( 2.582 0.000 0.000) 2.582 2.865 ( 5.970 0.000 0.000) 5.970 2.874 ( -4.263 0.000 0.000) 4.263 2.990 ( 3.914 0.000 0.000) 3.914 3.312 ( 6.847 0.000 0.000) 6.847 3.395 ( -10.765 0.000 0.000) 10.765 3.402 ( -4.347 0.000 0.000) 4.347 3.594 ( 4.411 0.000 0.000) 4.411 3.643 ( 3.788 0.000 0.000) 3.788 3.784 ( -7.698 0.000 0.000) 7.698 3.863 ( -4.874 0.000 0.000) 4.874 3.936 ( 9.342 0.000 0.000) 9.342 3.965 ( -10.427 0.000 0.000) 10.427 4.151 ( 1.846 0.000 0.000) 1.846 4.266 ( 5.331 0.000 0.000) 5.331 4.335 ( -0.455 0.000 0.000) 0.455 4.401 ( -0.236 0.000 0.000) 0.236 4.434 ( -0.223 0.000 0.000) 0.223 4.484 ( -5.176 0.000 0.000) 5.176 4.514 ( 2.668 0.000 0.000) 2.668 4.556 ( 8.180 0.000 0.000) 8.180 4.596 ( 0.734 0.000 0.000) 0.734 4.660 ( 2.751 0.000 0.000) 2.751 5.016 ( -5.143 0.000 0.000) 5.143 5.024 ( 0.545 0.000 0.000) 0.545 5.100 ( 1.250 0.000 0.000) 1.250 5.244 ( 2.129 0.000 0.000) 2.129 5.254 ( 0.879 0.000 0.000) 0.879 5.303 ( 2.089 0.000 0.000) 2.089 5.349 ( -9.504 0.000 0.000) 9.504 5.373 ( -6.079 0.000 0.000) 6.079 5.414 ( 10.698 0.000 0.000) 10.698 5.555 ( -1.115 0.000 0.000) 1.115 5.714 ( -2.435 0.000 0.000) 2.435 5.720 ( -1.387 0.000 0.000) 1.387 5.728 ( 1.723 0.000 0.000) 1.723 5.831 ( 2.288 0.000 0.000) 2.288 5.847 ( 3.978 0.000 0.000) 3.978 5.934 ( 2.101 0.000 0.000) 2.101 6.009 ( -15.857 0.000 0.000) 15.857 6.086 ( -3.600 0.000 0.000) 3.600 6.195 ( -2.251 0.000 0.000) 2.251 6.221 ( 11.740 0.000 0.000) 11.740 6.261 ( -2.390 0.000 0.000) 2.390 6.333 ( 1.315 0.000 0.000) 1.315 6.426 ( -5.747 0.000 0.000) 5.747 6.473 ( 4.897 0.000 0.000) 4.897 6.530 ( 9.571 0.000 0.000) 9.571 6.563 ( 2.534 0.000 0.000) 2.534 6.688 ( -1.174 0.000 0.000) 1.174 6.885 ( 9.159 0.000 0.000) 9.159 6.894 ( -13.138 0.000 0.000) 13.138 7.075 ( 2.792 0.000 0.000) 2.792 7.081 ( -5.815 0.000 0.000) 5.815 7.269 ( 4.181 0.000 0.000) 4.181 7.401 ( -7.455 0.000 0.000) 7.455 7.435 ( -6.030 0.000 0.000) 6.030 7.523 ( -2.430 0.000 0.000) 2.430 7.524 ( 12.158 0.000 0.000) 12.158 7.607 ( -0.847 0.000 0.000) 0.847 7.665 ( -1.972 0.000 0.000) 1.972 7.683 ( 2.437 0.000 0.000) 2.437 7.764 ( -3.999 0.000 0.000) 3.999 7.848 ( 1.080 0.000 0.000) 1.080 7.881 ( -1.774 0.000 0.000) 1.774 7.920 ( -2.950 0.000 0.000) 2.950 8.064 ( 13.665 0.000 0.000) 13.665 8.073 ( -8.073 0.000 0.000) 8.073 8.172 ( 5.352 0.000 0.000) 5.352 8.238 ( 3.905 0.000 0.000) 3.905 8.239 ( 1.868 0.000 0.000) 1.868 8.327 ( -7.145 0.000 0.000) 7.145 8.371 ( -0.792 0.000 0.000) 0.792 8.401 ( -0.975 0.000 0.000) 0.975 8.620 ( 0.566 0.000 0.000) 0.566 8.622 ( -1.355 0.000 0.000) 1.355 8.648 ( -0.566 0.000 0.000) 0.566 8.797 ( -6.074 0.000 0.000) 6.074 8.898 ( -7.126 0.000 0.000) 7.126 8.935 ( -3.055 0.000 0.000) 3.055 9.139 ( -0.911 0.000 0.000) 0.911 9.164 ( -0.119 0.000 0.000) 0.119 9.194 ( 3.463 0.000 0.000) 3.463 9.234 ( -0.886 0.000 0.000) 0.886 9.285 ( 4.738 0.000 0.000) 4.738 9.351 ( 3.335 0.000 0.000) 3.335 9.423 ( 3.372 0.000 0.000) 3.372 9.529 ( 1.434 0.000 0.000) 1.434 9.659 ( -2.639 0.000 0.000) 2.639 9.670 ( 0.591 0.000 0.000) 0.591 9.864 ( 0.840 0.000 0.000) 0.840 9.948 ( -4.064 0.000 0.000) 4.064 9.955 ( -1.220 0.000 0.000) 1.220 9.979 ( -1.145 0.000 0.000) 1.145 10.152 ( 5.329 0.000 0.000) 5.329 10.173 ( 2.191 0.000 0.000) 2.191 10.176 ( 4.421 0.000 0.000) 4.421 10.247 ( 3.055 0.000 0.000) 3.055 10.421 ( 2.416 0.000 0.000) 2.416 10.457 ( 3.477 0.000 0.000) 3.477 10.527 ( 2.676 0.000 0.000) 2.676 10.708 ( -2.660 0.000 0.000) 2.660 10.768 ( -0.327 0.000 0.000) 0.327 10.856 ( 0.872 0.000 0.000) 0.872 10.867 ( -0.055 0.000 0.000) 0.055 10.889 ( -4.385 0.000 0.000) 4.385 10.969 ( -2.549 0.000 0.000) 2.549 10.979 ( -1.822 0.000 0.000) 1.822 11.076 ( 0.068 0.000 0.000) 0.068 11.137 ( -0.917 0.000 0.000) 0.917 11.193 ( 1.763 0.000 0.000) 1.763 11.254 ( 1.002 0.000 0.000) 1.002 11.329 ( -3.164 0.000 0.000) 3.164 11.338 ( 0.880 0.000 0.000) 0.880 11.387 ( 0.308 0.000 0.000) 0.308 11.390 ( -0.100 0.000 0.000) 0.100 11.424 ( -3.472 0.000 0.000) 3.472 11.426 ( 1.039 0.000 0.000) 1.039 11.446 ( 2.139 0.000 0.000) 2.139 11.500 ( 0.367 0.000 0.000) 0.367 11.525 ( 0.511 0.000 0.000) 0.511 11.620 ( 0.003 0.000 0.000) 0.003 11.630 ( 0.985 0.000 0.000) 0.985 11.643 ( 1.560 0.000 0.000) 1.560 11.807 ( -0.527 0.000 0.000) 0.527 11.811 ( 4.655 0.000 0.000) 4.655 11.902 ( -9.858 0.000 0.000) 9.858 11.951 ( -1.361 0.000 0.000) 1.361 12.090 ( 0.064 0.000 0.000) 0.064 12.115 ( -0.752 0.000 0.000) 0.752 12.138 ( -1.929 0.000 0.000) 1.929 12.148 ( 1.478 0.000 0.000) 1.478 12.524 ( 0.272 0.000 0.000) 0.272 12.600 ( -2.639 0.000 0.000) 2.639 12.629 ( -0.182 0.000 0.000) 0.182 12.641 ( -0.258 0.000 0.000) 0.258 12.716 ( 1.729 0.000 0.000) 1.729 12.784 ( 0.049 0.000 0.000) 0.049 12.813 ( 2.183 0.000 0.000) 2.183 12.819 ( 2.547 0.000 0.000) 2.547 13.016 ( -2.220 0.000 0.000) 2.220 13.048 ( -3.174 0.000 0.000) 3.174 13.185 ( 2.001 0.000 0.000) 2.001 13.250 ( 0.913 0.000 0.000) 0.913 13.517 ( 3.419 0.000 0.000) 3.419 13.766 ( -2.174 0.000 0.000) 2.174 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 20.748 0.000 0.000) 20.748 1.208 ( 28.755 0.000 0.000) 28.755 1.303 ( -10.497 0.000 0.000) 10.497 1.708 ( 24.664 0.000 0.000) 24.664 1.764 ( -26.127 0.000 0.000) 26.127 1.987 ( 1.122 0.000 0.000) 1.122 2.025 ( 0.579 0.000 0.000) 0.579 2.054 ( 0.098 0.000 0.000) 0.098 2.291 ( -4.906 0.000 0.000) 4.906 2.394 ( -13.779 0.000 0.000) 13.779 2.701 ( 4.147 0.000 0.000) 4.147 2.785 ( -4.223 0.000 0.000) 4.223 3.057 ( 3.992 0.000 0.000) 3.992 3.060 ( 12.501 0.000 0.000) 12.501 3.187 ( -8.911 0.000 0.000) 8.911 3.291 ( -8.188 0.000 0.000) 8.188 3.475 ( 8.434 0.000 0.000) 8.434 3.622 ( -6.856 0.000 0.000) 6.856 3.682 ( 3.334 0.000 0.000) 3.334 3.705 ( 1.314 0.000 0.000) 1.314 3.753 ( -4.219 0.000 0.000) 4.219 3.783 ( -6.800 0.000 0.000) 6.800 4.131 ( 9.930 0.000 0.000) 9.930 4.204 ( 3.260 0.000 0.000) 3.260 4.276 ( -3.728 0.000 0.000) 3.728 4.328 ( -9.083 0.000 0.000) 9.083 4.378 ( 5.440 0.000 0.000) 5.440 4.413 ( 0.647 0.000 0.000) 0.647 4.428 ( -0.533 0.000 0.000) 0.533 4.476 ( -3.974 0.000 0.000) 3.974 4.620 ( 1.875 0.000 0.000) 1.875 4.667 ( -2.070 0.000 0.000) 2.070 4.837 ( 15.475 0.000 0.000) 15.475 4.998 ( 2.571 0.000 0.000) 2.571 5.061 ( 3.490 0.000 0.000) 3.490 5.065 ( -3.347 0.000 0.000) 3.347 5.127 ( -12.043 0.000 0.000) 12.043 5.173 ( -7.351 0.000 0.000) 7.351 5.374 ( 8.811 0.000 0.000) 8.811 5.386 ( 6.530 0.000 0.000) 6.530 5.390 ( 5.272 0.000 0.000) 5.272 5.496 ( -4.341 0.000 0.000) 4.341 5.523 ( -3.275 0.000 0.000) 3.275 5.594 ( -14.204 0.000 0.000) 14.204 5.691 ( 2.607 0.000 0.000) 2.607 5.714 ( 0.450 0.000 0.000) 0.450 5.780 ( 2.617 0.000 0.000) 2.617 5.848 ( -3.254 0.000 0.000) 3.254 6.005 ( 3.713 0.000 0.000) 3.713 6.038 ( -0.288 0.000 0.000) 0.288 6.046 ( 9.349 0.000 0.000) 9.349 6.152 ( -0.994 0.000 0.000) 0.994 6.198 ( -3.986 0.000 0.000) 3.986 6.246 ( -9.506 0.000 0.000) 9.506 6.375 ( 3.222 0.000 0.000) 3.222 6.478 ( -5.953 0.000 0.000) 5.953 6.498 ( 11.487 0.000 0.000) 11.487 6.575 ( 1.062 0.000 0.000) 1.062 6.666 ( 0.192 0.000 0.000) 0.192 6.756 ( 1.060 0.000 0.000) 1.060 6.778 ( 4.366 0.000 0.000) 4.366 6.928 ( 5.109 0.000 0.000) 5.109 6.931 ( -8.499 0.000 0.000) 8.499 7.178 ( 6.455 0.000 0.000) 6.455 7.183 ( -13.677 0.000 0.000) 13.677 7.295 ( -3.512 0.000 0.000) 3.512 7.475 ( 8.008 0.000 0.000) 8.008 7.540 ( 5.649 0.000 0.000) 5.649 7.591 ( 0.105 0.000 0.000) 0.105 7.621 ( -2.138 0.000 0.000) 2.138 7.645 ( -7.393 0.000 0.000) 7.393 7.660 ( -1.537 0.000 0.000) 1.537 7.738 ( 3.019 0.000 0.000) 3.019 7.808 ( -4.445 0.000 0.000) 4.445 7.872 ( 1.268 0.000 0.000) 1.268 7.894 ( -0.803 0.000 0.000) 0.803 7.994 ( 3.236 0.000 0.000) 3.236 8.146 ( -9.493 0.000 0.000) 9.493 8.272 ( 4.663 0.000 0.000) 4.663 8.301 ( 4.064 0.000 0.000) 4.064 8.326 ( 10.456 0.000 0.000) 10.456 8.340 ( 5.454 0.000 0.000) 5.454 8.342 ( -2.243 0.000 0.000) 2.243 8.376 ( -2.574 0.000 0.000) 2.574 8.556 ( -4.056 0.000 0.000) 4.056 8.620 ( -0.386 0.000 0.000) 0.386 8.622 ( -1.007 0.000 0.000) 1.007 8.637 ( -9.281 0.000 0.000) 9.281 8.813 ( -0.468 0.000 0.000) 0.468 8.854 ( -3.819 0.000 0.000) 3.819 9.146 ( 0.966 0.000 0.000) 0.966 9.161 ( -0.386 0.000 0.000) 0.386 9.236 ( 0.541 0.000 0.000) 0.541 9.237 ( 0.823 0.000 0.000) 0.823 9.369 ( 3.150 0.000 0.000) 3.150 9.397 ( 0.613 0.000 0.000) 0.613 9.490 ( 3.321 0.000 0.000) 3.321 9.546 ( -1.293 0.000 0.000) 1.293 9.625 ( 0.820 0.000 0.000) 0.820 9.664 ( -1.542 0.000 0.000) 1.542 9.874 ( 0.209 0.000 0.000) 0.209 9.887 ( -1.653 0.000 0.000) 1.653 9.941 ( -0.040 0.000 0.000) 0.040 9.954 ( -1.145 0.000 0.000) 1.145 10.230 ( 3.012 0.000 0.000) 3.012 10.242 ( 2.812 0.000 0.000) 2.812 10.250 ( 1.982 0.000 0.000) 1.982 10.273 ( -0.761 0.000 0.000) 0.761 10.509 ( 5.879 0.000 0.000) 5.879 10.549 ( 5.094 0.000 0.000) 5.094 10.592 ( 2.241 0.000 0.000) 2.241 10.627 ( -5.247 0.000 0.000) 5.247 10.752 ( -1.066 0.000 0.000) 1.066 10.779 ( -4.949 0.000 0.000) 4.949 10.880 ( 1.366 0.000 0.000) 1.366 10.884 ( 1.907 0.000 0.000) 1.907 10.918 ( -2.305 0.000 0.000) 2.305 10.931 ( -2.594 0.000 0.000) 2.594 11.086 ( 0.937 0.000 0.000) 0.937 11.111 ( -1.436 0.000 0.000) 1.436 11.236 ( 2.146 0.000 0.000) 2.146 11.274 ( -2.023 0.000 0.000) 2.023 11.285 ( 2.002 0.000 0.000) 2.002 11.325 ( -1.727 0.000 0.000) 1.727 11.366 ( -1.587 0.000 0.000) 1.587 11.370 ( -1.447 0.000 0.000) 1.447 11.406 ( 1.532 0.000 0.000) 1.532 11.436 ( -0.835 0.000 0.000) 0.835 11.502 ( 3.242 0.000 0.000) 3.242 11.528 ( 1.598 0.000 0.000) 1.598 11.552 ( 2.238 0.000 0.000) 2.238 11.599 ( -1.971 0.000 0.000) 1.971 11.641 ( 0.301 0.000 0.000) 0.301 11.702 ( 3.683 0.000 0.000) 3.683 11.709 ( -7.806 0.000 0.000) 7.806 11.773 ( -2.947 0.000 0.000) 2.947 11.897 ( 3.277 0.000 0.000) 3.277 11.932 ( -0.635 0.000 0.000) 0.635 12.095 ( -0.942 0.000 0.000) 0.942 12.098 ( -1.481 0.000 0.000) 1.481 12.104 ( 1.459 0.000 0.000) 1.459 12.141 ( -1.677 0.000 0.000) 1.677 12.533 ( 0.654 0.000 0.000) 0.654 12.555 ( -1.631 0.000 0.000) 1.631 12.629 ( 0.147 0.000 0.000) 0.147 12.634 ( -0.353 0.000 0.000) 0.353 12.752 ( 1.664 0.000 0.000) 1.664 12.777 ( -0.769 0.000 0.000) 0.769 12.876 ( 3.805 0.000 0.000) 3.805 12.886 ( 3.998 0.000 0.000) 3.998 12.954 ( -3.714 0.000 0.000) 3.714 12.972 ( -4.206 0.000 0.000) 4.206 13.225 ( 1.843 0.000 0.000) 1.843 13.253 ( -0.734 0.000 0.000) 0.734 13.607 ( 5.029 0.000 0.000) 5.029 13.702 ( -4.097 0.000 0.000) 4.097 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 0.000 22.229 0.000) 22.229 0.614 ( 0.000 29.394 0.000) 29.394 1.030 ( 0.000 47.894 0.000) 47.894 1.746 ( 0.000 -16.504 0.000) 16.504 1.778 ( 0.000 1.177 0.000) 1.177 1.896 ( 0.000 -3.481 0.000) 3.481 1.951 ( 0.000 -0.728 0.000) 0.728 2.233 ( 0.000 -14.080 0.000) 14.080 2.324 ( 0.000 -15.042 0.000) 15.042 2.737 ( 0.000 -5.654 0.000) 5.654 2.781 ( 0.000 14.056 0.000) 14.056 2.799 ( 0.000 -8.748 0.000) 8.748 2.886 ( 0.000 12.813 0.000) 12.813 2.966 ( 0.000 4.118 0.000) 4.118 3.282 ( 0.000 -6.022 0.000) 6.022 3.466 ( 0.000 0.682 0.000) 0.682 3.472 ( 0.000 -1.948 0.000) 1.948 3.549 ( 0.000 -3.462 0.000) 3.462 3.594 ( 0.000 6.344 0.000) 6.344 3.788 ( 0.000 -9.347 0.000) 9.347 3.824 ( 0.000 0.010 0.000) 0.010 3.920 ( 0.000 0.360 0.000) 0.360 4.058 ( 0.000 -6.245 0.000) 6.245 4.104 ( 0.000 -5.495 0.000) 5.495 4.187 ( 0.000 4.585 0.000) 4.585 4.263 ( 0.000 7.879 0.000) 7.879 4.301 ( 0.000 -2.210 0.000) 2.210 4.450 ( 0.000 -4.030 0.000) 4.030 4.537 ( 0.000 -2.674 0.000) 2.674 4.563 ( 0.000 2.352 0.000) 2.352 4.600 ( 0.000 10.520 0.000) 10.520 4.708 ( 0.000 13.078 0.000) 13.078 4.763 ( 0.000 8.584 0.000) 8.584 4.867 ( 0.000 -7.874 0.000) 7.874 5.072 ( 0.000 -9.454 0.000) 9.454 5.177 ( 0.000 -3.368 0.000) 3.368 5.183 ( 0.000 5.774 0.000) 5.774 5.190 ( 0.000 -2.232 0.000) 2.232 5.273 ( 0.000 3.798 0.000) 3.798 5.386 ( 0.000 9.661 0.000) 9.661 5.458 ( 0.000 -5.468 0.000) 5.468 5.484 ( 0.000 -1.869 0.000) 1.869 5.527 ( 0.000 5.287 0.000) 5.287 5.626 ( 0.000 -7.437 0.000) 7.437 5.678 ( 0.000 -5.575 0.000) 5.575 5.721 ( 0.000 -1.395 0.000) 1.395 5.760 ( 0.000 -0.146 0.000) 0.146 5.799 ( 0.000 -1.031 0.000) 1.031 5.928 ( 0.000 -0.274 0.000) 0.274 6.135 ( 0.000 3.285 0.000) 3.285 6.164 ( 0.000 -3.144 0.000) 3.144 6.173 ( 0.000 -10.781 0.000) 10.781 6.264 ( 0.000 3.781 0.000) 3.781 6.304 ( 0.000 0.435 0.000) 0.435 6.350 ( 0.000 2.591 0.000) 2.591 6.413 ( 0.000 2.277 0.000) 2.277 6.426 ( 0.000 1.747 0.000) 1.747 6.497 ( 0.000 1.578 0.000) 1.578 6.580 ( 0.000 -0.795 0.000) 0.795 6.617 ( 0.000 -3.955 0.000) 3.955 6.663 ( 0.000 2.380 0.000) 2.380 7.043 ( 0.000 0.889 0.000) 0.889 7.046 ( 0.000 -8.155 0.000) 8.155 7.188 ( 0.000 -6.460 0.000) 6.460 7.202 ( 0.000 -5.644 0.000) 5.644 7.218 ( 0.000 1.989 0.000) 1.989 7.545 ( 0.000 -3.726 0.000) 3.726 7.547 ( 0.000 2.821 0.000) 2.821 7.563 ( 0.000 5.240 0.000) 5.240 7.585 ( 0.000 -0.092 0.000) 0.092 7.603 ( 0.000 -12.051 0.000) 12.051 7.641 ( 0.000 0.309 0.000) 0.309 7.705 ( 0.000 2.224 0.000) 2.224 7.853 ( 0.000 4.217 0.000) 4.217 7.860 ( 0.000 -1.305 0.000) 1.305 7.998 ( 0.000 -2.998 0.000) 2.998 8.050 ( 0.000 -2.489 0.000) 2.489 8.067 ( 0.000 7.946 0.000) 7.946 8.092 ( 0.000 -1.834 0.000) 1.834 8.245 ( 0.000 4.481 0.000) 4.481 8.261 ( 0.000 3.808 0.000) 3.808 8.376 ( 0.000 -1.240 0.000) 1.240 8.476 ( 0.000 6.956 0.000) 6.956 8.603 ( 0.000 11.519 0.000) 11.519 8.645 ( 0.000 1.523 0.000) 1.523 8.657 ( 0.000 5.193 0.000) 5.193 8.667 ( 0.000 1.610 0.000) 1.610 8.832 ( 0.000 -0.160 0.000) 0.160 8.938 ( 0.000 -1.803 0.000) 1.803 8.983 ( 0.000 -1.772 0.000) 1.772 9.128 ( 0.000 0.125 0.000) 0.125 9.131 ( 0.000 -2.479 0.000) 2.479 9.137 ( 0.000 -6.881 0.000) 6.881 9.174 ( 0.000 0.659 0.000) 0.659 9.276 ( 0.000 -0.087 0.000) 0.087 9.348 ( 0.000 3.500 0.000) 3.500 9.397 ( 0.000 2.906 0.000) 2.906 9.544 ( 0.000 1.963 0.000) 1.963 9.706 ( 0.000 1.390 0.000) 1.390 9.723 ( 0.000 5.782 0.000) 5.782 9.780 ( 0.000 -14.025 0.000) 14.025 9.841 ( 0.000 -0.973 0.000) 0.973 9.886 ( 0.000 -7.437 0.000) 7.437 10.025 ( 0.000 -1.272 0.000) 1.272 10.122 ( 0.000 5.611 0.000) 5.611 10.153 ( 0.000 0.359 0.000) 0.359 10.219 ( 0.000 3.338 0.000) 3.338 10.231 ( 0.000 3.306 0.000) 3.306 10.309 ( 0.000 -4.106 0.000) 4.106 10.520 ( 0.000 4.691 0.000) 4.691 10.556 ( 0.000 5.144 0.000) 5.144 10.721 ( 0.000 -0.376 0.000) 0.376 10.746 ( 0.000 -2.006 0.000) 2.006 10.805 ( 0.000 -6.246 0.000) 6.246 10.873 ( 0.000 2.211 0.000) 2.211 10.923 ( 0.000 -4.150 0.000) 4.150 10.929 ( 0.000 -0.996 0.000) 0.996 11.055 ( 0.000 -2.058 0.000) 2.058 11.057 ( 0.000 2.308 0.000) 2.308 11.134 ( 0.000 -1.228 0.000) 1.228 11.155 ( 0.000 -0.031 0.000) 0.031 11.170 ( 0.000 -0.472 0.000) 0.472 11.239 ( 0.000 0.023 0.000) 0.023 11.349 ( 0.000 -2.076 0.000) 2.076 11.375 ( 0.000 0.706 0.000) 0.706 11.409 ( 0.000 0.922 0.000) 0.922 11.413 ( 0.000 0.636 0.000) 0.636 11.454 ( 0.000 2.124 0.000) 2.124 11.479 ( 0.000 -1.309 0.000) 1.309 11.553 ( 0.000 3.437 0.000) 3.437 11.605 ( 0.000 -1.404 0.000) 1.404 11.623 ( 0.000 1.046 0.000) 1.046 11.632 ( 0.000 -0.525 0.000) 0.525 11.691 ( 0.000 2.261 0.000) 2.261 11.751 ( 0.000 0.429 0.000) 0.429 11.856 ( 0.000 -1.977 0.000) 1.977 11.949 ( 0.000 -1.780 0.000) 1.780 12.007 ( 0.000 -5.621 0.000) 5.621 12.065 ( 0.000 0.687 0.000) 0.687 12.084 ( 0.000 0.713 0.000) 0.713 12.201 ( 0.000 5.328 0.000) 5.328 12.225 ( 0.000 3.872 0.000) 3.872 12.472 ( 0.000 -3.859 0.000) 3.859 12.600 ( 0.000 -4.149 0.000) 4.149 12.646 ( 0.000 1.036 0.000) 1.036 12.657 ( 0.000 1.528 0.000) 1.528 12.694 ( 0.000 -0.070 0.000) 0.070 12.761 ( 0.000 -1.727 0.000) 1.727 12.794 ( 0.000 0.752 0.000) 0.752 12.818 ( 0.000 0.286 0.000) 0.286 13.006 ( 0.000 -1.298 0.000) 1.298 13.073 ( 0.000 -1.283 0.000) 1.283 13.255 ( 0.000 1.930 0.000) 1.930 13.259 ( 0.000 7.707 0.000) 7.707 13.453 ( 0.000 -2.628 0.000) 2.628 13.741 ( 0.000 -4.426 0.000) 4.426 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 13.782 17.057 0.000) 21.929 0.668 ( 16.868 14.267 0.000) 22.093 1.445 ( 26.465 35.696 0.000) 44.437 1.686 ( -6.500 3.534 0.000) 7.398 1.766 ( 2.060 -15.151 0.000) 15.290 1.889 ( -2.457 -6.288 0.000) 6.751 1.958 ( 0.016 -6.504 0.000) 6.504 2.096 ( -11.327 -10.196 0.000) 15.240 2.250 ( -6.061 -13.666 0.000) 14.950 2.756 ( 3.339 -5.201 0.000) 6.180 2.782 ( -0.885 11.418 0.000) 11.453 2.799 ( -4.896 14.648 0.000) 15.444 2.882 ( 5.907 -3.208 0.000) 6.721 3.032 ( 3.036 3.113 0.000) 4.348 3.310 ( 1.338 -6.334 0.000) 6.474 3.411 ( -3.266 2.998 0.000) 4.434 3.411 ( -4.390 0.540 0.000) 4.423 3.572 ( 1.136 -5.011 0.000) 5.138 3.620 ( 2.366 4.515 0.000) 5.097 3.759 ( -2.401 -5.086 0.000) 5.624 3.852 ( -1.998 -4.999 0.000) 5.384 3.855 ( -5.689 0.361 0.000) 5.700 4.040 ( 1.094 1.556 0.000) 1.902 4.059 ( 0.106 -7.859 0.000) 7.860 4.192 ( -2.985 -4.229 0.000) 5.176 4.232 ( 3.847 3.360 0.000) 5.108 4.434 ( -0.414 -2.150 0.000) 2.190 4.481 ( -4.556 -0.564 0.000) 4.591 4.547 ( 13.594 1.695 0.000) 13.699 4.593 ( 1.655 1.473 0.000) 2.216 4.607 ( 0.949 11.103 0.000) 11.143 4.696 ( -1.098 12.113 0.000) 12.163 4.757 ( -0.246 7.036 0.000) 7.040 4.898 ( 2.837 -7.783 0.000) 8.283 5.037 ( -3.845 0.911 0.000) 3.951 5.143 ( -1.915 2.814 0.000) 3.404 5.158 ( 2.870 -9.631 0.000) 10.050 5.216 ( 1.758 -2.255 0.000) 2.859 5.320 ( -7.524 -1.749 0.000) 7.724 5.399 ( 1.449 9.533 0.000) 9.643 5.406 ( -7.598 3.005 0.000) 8.171 5.459 ( 8.335 0.816 0.000) 8.375 5.487 ( 0.291 -5.169 0.000) 5.177 5.625 ( -1.805 -6.465 0.000) 6.712 5.703 ( -0.168 -1.385 0.000) 1.395 5.712 ( 0.129 -2.950 0.000) 2.953 5.784 ( 0.434 -1.732 0.000) 1.785 5.860 ( 3.865 -1.389 0.000) 4.107 5.932 ( -1.529 -0.458 0.000) 1.596 6.094 ( -6.879 5.018 0.000) 8.515 6.104 ( -3.511 0.187 0.000) 3.516 6.192 ( -2.101 1.957 0.000) 2.871 6.238 ( 5.301 0.356 0.000) 5.313 6.268 ( -3.091 1.218 0.000) 3.322 6.386 ( 2.768 4.192 0.000) 5.023 6.395 ( 7.078 -9.193 0.000) 11.602 6.456 ( -3.220 3.262 0.000) 4.583 6.459 ( 3.273 -2.320 0.000) 4.012 6.569 ( 2.397 0.597 0.000) 2.470 6.609 ( -1.197 -4.749 0.000) 4.898 6.873 ( 5.323 -0.648 0.000) 5.362 6.912 ( -10.921 0.547 0.000) 10.935 7.010 ( -3.347 -7.797 0.000) 8.485 7.091 ( 4.925 1.695 0.000) 5.208 7.149 ( -5.673 -7.757 0.000) 9.610 7.419 ( 5.819 -6.949 0.000) 9.064 7.445 ( -3.034 -0.851 0.000) 3.151 7.521 ( -1.476 2.225 0.000) 2.670 7.548 ( -2.113 1.155 0.000) 2.408 7.571 ( -0.971 6.236 0.000) 6.311 7.586 ( -0.966 -8.919 0.000) 8.971 7.669 ( 1.157 -2.444 0.000) 2.704 7.777 ( 5.483 3.036 0.000) 6.268 7.816 ( -4.822 2.677 0.000) 5.516 7.949 ( -0.436 2.571 0.000) 2.607 7.998 ( 7.955 -0.421 0.000) 7.966 8.082 ( 2.641 5.666 0.000) 6.251 8.087 ( 2.090 -6.618 0.000) 6.940 8.155 ( -5.967 5.557 0.000) 8.154 8.156 ( 4.641 -1.564 0.000) 4.897 8.283 ( 1.223 2.884 0.000) 3.132 8.369 ( -1.200 -0.855 0.000) 1.474 8.459 ( -3.500 5.681 0.000) 6.672 8.541 ( -2.955 11.378 0.000) 11.756 8.612 ( -1.229 0.705 0.000) 1.417 8.663 ( -0.898 3.243 0.000) 3.365 8.667 ( -1.749 1.840 0.000) 2.538 8.768 ( -5.434 -2.136 0.000) 5.838 8.900 ( -5.281 1.009 0.000) 5.377 8.912 ( -2.346 -1.647 0.000) 2.866 9.125 ( 2.020 0.173 0.000) 2.027 9.186 ( 2.704 1.115 0.000) 2.925 9.204 ( 2.717 1.169 0.000) 2.957 9.216 ( 4.377 -6.102 0.000) 7.510 9.263 ( -0.534 1.380 0.000) 1.480 9.360 ( 0.773 1.046 0.000) 1.300 9.445 ( 3.620 2.363 0.000) 4.323 9.554 ( 1.063 1.722 0.000) 2.024 9.677 ( -2.472 1.594 0.000) 2.941 9.715 ( -1.193 3.611 0.000) 3.803 9.803 ( 1.986 -12.118 0.000) 12.280 9.855 ( 1.076 -1.505 0.000) 1.850 9.887 ( 0.069 -5.374 0.000) 5.374 9.968 ( -3.979 -0.519 0.000) 4.012 10.160 ( 0.993 0.327 0.000) 1.045 10.163 ( 2.859 2.111 0.000) 3.554 10.258 ( 3.069 2.531 0.000) 3.978 10.294 ( 3.791 3.838 0.000) 5.395 10.336 ( 3.804 -3.603 0.000) 5.240 10.543 ( 2.341 4.400 0.000) 4.984 10.576 ( 1.881 4.400 0.000) 4.785 10.695 ( -2.644 -0.279 0.000) 2.659 10.734 ( -1.095 -3.122 0.000) 3.309 10.813 ( 0.922 -4.320 0.000) 4.417 10.877 ( -4.296 -1.781 0.000) 4.650 10.891 ( 1.587 2.246 0.000) 2.750 10.911 ( -1.572 -2.876 0.000) 3.277 11.031 ( -2.161 2.643 0.000) 3.414 11.057 ( 0.312 -1.777 0.000) 1.804 11.133 ( -0.572 -0.628 0.000) 0.849 11.186 ( 1.729 -0.597 0.000) 1.829 11.233 ( 4.724 -3.817 0.000) 6.073 11.238 ( 0.247 -0.954 0.000) 0.986 11.322 ( -2.546 -1.358 0.000) 2.886 11.386 ( -2.246 0.375 0.000) 2.277 11.391 ( 0.587 1.671 0.000) 1.771 11.394 ( 0.097 0.645 0.000) 0.653 11.469 ( -0.821 -1.496 0.000) 1.706 11.469 ( 0.449 0.100 0.000) 0.460 11.555 ( 0.673 3.168 0.000) 3.239 11.567 ( -3.312 3.673 0.000) 4.945 11.604 ( 0.499 -1.650 0.000) 1.723 11.657 ( 2.625 0.859 0.000) 2.762 11.700 ( -0.640 4.800 0.000) 4.843 11.777 ( -3.481 -2.084 0.000) 4.057 11.812 ( 4.644 0.143 0.000) 4.647 11.905 ( -5.075 -0.713 0.000) 5.125 11.984 ( -3.752 2.750 0.000) 4.652 12.011 ( 0.410 -5.020 0.000) 5.037 12.108 ( -0.733 -0.915 0.000) 1.173 12.195 ( -0.070 4.557 0.000) 4.558 12.206 ( -1.585 4.006 0.000) 4.309 12.473 ( 0.164 -4.037 0.000) 4.040 12.563 ( -2.910 -3.585 0.000) 4.617 12.653 ( 0.352 1.014 0.000) 1.073 12.654 ( -0.169 1.590 0.000) 1.599 12.711 ( 1.367 -0.438 0.000) 1.435 12.767 ( 0.237 -1.550 0.000) 1.568 12.819 ( 2.047 0.451 0.000) 2.096 12.826 ( 1.749 0.464 0.000) 1.810 12.988 ( -1.788 -1.091 0.000) 2.094 13.046 ( -2.566 -0.865 0.000) 2.708 13.267 ( 0.732 6.862 0.000) 6.901 13.273 ( 1.266 2.184 0.000) 2.525 13.487 ( 3.322 -2.693 0.000) 4.276 13.721 ( -1.991 -4.242 0.000) 4.686 ======================= Grid point 7 (6/45) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 18.037 7.533 0.000) 19.547 1.076 ( 24.227 -1.250 0.000) 24.260 1.405 ( -13.618 5.386 0.000) 14.645 1.602 ( -21.749 -8.356 0.000) 23.299 1.860 ( 4.915 -11.014 0.000) 12.061 1.922 ( 1.801 -4.221 0.000) 4.589 1.985 ( -0.375 -8.373 0.000) 8.382 1.995 ( 4.962 0.609 0.000) 5.000 2.197 ( 11.513 5.494 0.000) 12.756 2.573 ( -16.442 16.710 0.000) 23.442 2.814 ( 1.512 8.729 0.000) 8.859 2.823 ( 1.374 2.637 0.000) 2.973 3.036 ( 9.296 -1.137 0.000) 9.365 3.087 ( 2.879 1.931 0.000) 3.467 3.245 ( -4.556 0.901 0.000) 4.644 3.302 ( -7.191 0.030 0.000) 7.191 3.465 ( 6.111 0.534 0.000) 6.134 3.556 ( -2.302 -3.703 0.000) 4.360 3.680 ( 3.152 0.537 0.000) 3.197 3.717 ( -2.222 -2.330 0.000) 3.219 3.737 ( -3.936 0.601 0.000) 3.981 3.742 ( -5.460 -3.466 0.000) 6.467 4.070 ( 1.176 -9.861 0.000) 9.931 4.104 ( -1.161 -10.217 0.000) 10.283 4.197 ( 6.904 4.526 0.000) 8.255 4.317 ( 4.144 0.773 0.000) 4.215 4.357 ( -7.447 1.971 0.000) 7.704 4.394 ( -3.109 -1.735 0.000) 3.560 4.622 ( 1.376 5.899 0.000) 6.058 4.648 ( 3.060 7.877 0.000) 8.450 4.655 ( -1.788 7.944 0.000) 8.143 4.714 ( -2.594 6.735 0.000) 7.217 4.861 ( 14.364 2.368 0.000) 14.557 4.961 ( 2.995 -6.509 0.000) 7.164 5.005 ( -0.582 -0.399 0.000) 0.706 5.110 ( -3.445 1.812 0.000) 3.893 5.143 ( -3.201 -2.474 0.000) 4.046 5.150 ( -7.991 2.772 0.000) 8.458 5.311 ( 6.550 -3.811 0.000) 7.578 5.335 ( 2.659 -4.110 0.000) 4.895 5.415 ( -4.102 -6.875 0.000) 8.005 5.455 ( -1.037 1.029 0.000) 1.460 5.540 ( -3.248 0.461 0.000) 3.280 5.598 ( -1.379 4.736 0.000) 4.933 5.684 ( 0.940 -5.491 0.000) 5.571 5.710 ( -2.857 -2.490 0.000) 3.790 5.745 ( 3.531 0.279 0.000) 3.542 5.819 ( -3.069 -1.068 0.000) 3.250 6.021 ( 5.647 1.942 0.000) 5.972 6.053 ( -0.305 1.647 0.000) 1.675 6.102 ( 4.738 3.552 0.000) 5.922 6.151 ( -1.321 1.276 0.000) 1.836 6.192 ( -4.202 -0.555 0.000) 4.238 6.250 ( -6.380 -1.282 0.000) 6.507 6.418 ( 2.463 3.923 0.000) 4.632 6.464 ( -0.130 -0.456 0.000) 0.474 6.517 ( 5.588 1.609 0.000) 5.815 6.562 ( -3.359 -3.175 0.000) 4.622 6.595 ( 2.548 -4.436 0.000) 5.116 6.631 ( 7.886 -8.657 0.000) 11.710 6.792 ( 4.181 0.702 0.000) 4.239 6.869 ( -4.379 -2.895 0.000) 5.249 6.912 ( -6.194 -4.693 0.000) 7.771 6.979 ( -10.328 -9.575 0.000) 14.084 7.242 ( 9.205 3.640 0.000) 9.898 7.429 ( -8.280 3.404 0.000) 8.952 7.484 ( 5.907 -0.497 0.000) 5.928 7.500 ( 2.321 -6.390 0.000) 6.799 7.516 ( -1.003 -2.716 0.000) 2.895 7.556 ( 0.046 0.128 0.000) 0.136 7.580 ( 0.669 -7.088 0.000) 7.119 7.665 ( -5.817 2.619 0.000) 6.380 7.738 ( 2.847 -0.673 0.000) 2.925 7.831 ( -2.783 5.524 0.000) 6.186 7.961 ( 0.977 6.056 0.000) 6.135 7.999 ( -3.739 6.250 0.000) 7.283 8.099 ( 4.764 7.300 0.000) 8.717 8.149 ( 2.368 -1.674 0.000) 2.901 8.240 ( 3.721 -2.962 0.000) 4.756 8.281 ( 9.351 -1.375 0.000) 9.451 8.291 ( -0.007 -2.930 0.000) 2.930 8.336 ( -1.749 -2.059 0.000) 2.702 8.342 ( -5.442 2.990 0.000) 6.209 8.470 ( -6.476 3.725 0.000) 7.471 8.591 ( 0.144 3.814 0.000) 3.817 8.627 ( -1.052 2.680 0.000) 2.879 8.644 ( -0.701 2.487 0.000) 2.584 8.657 ( -4.336 1.960 0.000) 4.758 8.836 ( -0.661 2.831 0.000) 2.907 8.860 ( -2.410 0.906 0.000) 2.575 9.172 ( 2.032 2.436 0.000) 3.172 9.198 ( -0.545 2.901 0.000) 2.952 9.258 ( 1.424 1.706 0.000) 2.222 9.264 ( 0.366 2.060 0.000) 2.092 9.302 ( 3.795 -5.938 0.000) 7.046 9.357 ( -1.426 -3.473 0.000) 3.754 9.520 ( 3.646 2.743 0.000) 4.562 9.574 ( -0.504 2.498 0.000) 2.548 9.635 ( -0.122 0.740 0.000) 0.750 9.675 ( -2.581 1.025 0.000) 2.777 9.846 ( 2.094 -6.653 0.000) 6.975 9.875 ( 0.828 -2.583 0.000) 2.712 9.884 ( -0.623 -1.828 0.000) 1.931 9.897 ( -2.632 -3.566 0.000) 4.432 10.192 ( 1.793 -0.371 0.000) 1.831 10.207 ( 0.858 -0.403 0.000) 0.948 10.314 ( 1.961 1.933 0.000) 2.754 10.328 ( 0.454 1.578 0.000) 1.642 10.468 ( 7.531 0.152 0.000) 7.533 10.601 ( -3.822 1.043 0.000) 3.962 10.607 ( 3.386 2.815 0.000) 4.403 10.628 ( -0.178 0.646 0.000) 0.670 10.715 ( -0.199 -2.819 0.000) 2.826 10.771 ( -5.336 -0.676 0.000) 5.379 10.839 ( 1.582 -3.018 0.000) 3.408 10.875 ( -1.883 -2.799 0.000) 3.373 10.932 ( 2.387 2.969 0.000) 3.809 10.982 ( -2.523 3.217 0.000) 4.089 11.072 ( 1.217 -1.282 0.000) 1.768 11.105 ( -1.873 -0.697 0.000) 1.998 11.225 ( 1.879 -0.815 0.000) 2.048 11.250 ( 0.009 -1.616 0.000) 1.616 11.283 ( -0.168 -1.085 0.000) 1.098 11.293 ( 0.816 -3.150 0.000) 3.254 11.347 ( -0.871 0.488 0.000) 0.998 11.366 ( -1.920 0.631 0.000) 2.021 11.422 ( 1.592 1.157 0.000) 1.968 11.450 ( -1.018 -1.873 0.000) 2.131 11.488 ( 1.460 -0.949 0.000) 1.741 11.519 ( -1.696 2.495 0.000) 3.017 11.596 ( 3.467 2.620 0.000) 4.345 11.628 ( 1.626 -0.099 0.000) 1.629 11.665 ( -2.111 3.710 0.000) 4.268 11.695 ( -5.608 -0.707 0.000) 5.652 11.722 ( 3.564 1.434 0.000) 3.842 11.798 ( -4.157 1.478 0.000) 4.412 11.899 ( 3.327 0.178 0.000) 3.332 11.939 ( -1.261 0.787 0.000) 1.487 12.027 ( 1.395 -3.723 0.000) 3.975 12.070 ( -2.524 -1.882 0.000) 3.148 12.179 ( -0.672 4.088 0.000) 4.143 12.184 ( -0.859 3.702 0.000) 3.801 12.481 ( 0.787 -4.207 0.000) 4.280 12.510 ( -2.082 -3.889 0.000) 4.411 12.653 ( 0.090 1.667 0.000) 1.669 12.655 ( -0.067 1.536 0.000) 1.538 12.740 ( 1.406 -1.028 0.000) 1.742 12.762 ( -0.693 -1.335 0.000) 1.504 12.871 ( 3.178 -0.055 0.000) 3.179 12.890 ( 4.069 0.008 0.000) 4.069 12.937 ( -3.121 -0.622 0.000) 3.182 12.976 ( -4.122 -0.305 0.000) 4.133 13.283 ( 0.683 5.135 0.000) 5.180 13.289 ( 0.184 3.351 0.000) 3.356 13.574 ( 4.734 -3.117 0.000) 5.668 13.662 ( -3.790 -3.745 0.000) 5.329 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 0.000 21.787 0.000) 21.787 1.205 ( 0.000 27.333 0.000) 27.333 1.356 ( 0.000 -20.487 0.000) 20.487 1.687 ( 0.000 -15.047 0.000) 15.047 1.836 ( 0.000 16.271 0.000) 16.271 1.865 ( 0.000 1.654 0.000) 1.654 1.930 ( 0.000 -1.472 0.000) 1.472 1.982 ( 0.000 -9.474 0.000) 9.474 2.171 ( 0.000 18.931 0.000) 18.931 2.639 ( 0.000 -6.725 0.000) 6.725 2.642 ( 0.000 -2.195 0.000) 2.195 2.850 ( 0.000 -28.596 0.000) 28.596 3.044 ( 0.000 5.486 0.000) 5.486 3.047 ( 0.000 2.965 0.000) 2.965 3.127 ( 0.000 14.569 0.000) 14.569 3.420 ( 0.000 -9.314 0.000) 9.314 3.511 ( 0.000 0.470 0.000) 0.470 3.566 ( 0.000 -6.741 0.000) 6.741 3.592 ( 0.000 7.739 0.000) 7.739 3.708 ( 0.000 -0.036 0.000) 0.036 3.800 ( 0.000 2.603 0.000) 2.603 3.931 ( 0.000 1.140 0.000) 1.140 3.946 ( 0.000 -8.355 0.000) 8.355 3.975 ( 0.000 -2.916 0.000) 2.916 4.300 ( 0.000 5.922 0.000) 5.922 4.318 ( 0.000 2.337 0.000) 2.337 4.375 ( 0.000 -3.087 0.000) 3.087 4.427 ( 0.000 -6.288 0.000) 6.288 4.507 ( 0.000 14.262 0.000) 14.262 4.630 ( 0.000 4.057 0.000) 4.057 4.727 ( 0.000 -5.313 0.000) 5.313 4.812 ( 0.000 -14.482 0.000) 14.482 4.843 ( 0.000 11.274 0.000) 11.274 4.937 ( 0.000 7.156 0.000) 7.156 4.955 ( 0.000 8.371 0.000) 8.371 5.054 ( 0.000 -8.520 0.000) 8.520 5.159 ( 0.000 0.345 0.000) 0.345 5.284 ( 0.000 -7.995 0.000) 7.995 5.329 ( 0.000 8.088 0.000) 8.088 5.383 ( 0.000 3.349 0.000) 3.349 5.444 ( 0.000 -2.118 0.000) 2.118 5.483 ( 0.000 -6.625 0.000) 6.625 5.587 ( 0.000 -1.949 0.000) 1.949 5.606 ( 0.000 10.392 0.000) 10.392 5.630 ( 0.000 -5.327 0.000) 5.327 5.646 ( 0.000 5.749 0.000) 5.749 5.745 ( 0.000 -3.950 0.000) 3.950 5.794 ( 0.000 4.506 0.000) 4.506 5.823 ( 0.000 -9.976 0.000) 9.976 5.944 ( 0.000 -9.117 0.000) 9.117 6.150 ( 0.000 1.113 0.000) 1.113 6.169 ( 0.000 -0.018 0.000) 0.018 6.336 ( 0.000 2.619 0.000) 2.619 6.336 ( 0.000 2.647 0.000) 2.647 6.380 ( 0.000 -0.886 0.000) 0.886 6.396 ( 0.000 -2.578 0.000) 2.578 6.513 ( 0.000 4.699 0.000) 4.699 6.575 ( 0.000 -0.965 0.000) 0.965 6.583 ( 0.000 5.220 0.000) 5.220 6.591 ( 0.000 2.096 0.000) 2.096 6.762 ( 0.000 7.051 0.000) 7.051 6.893 ( 0.000 -4.025 0.000) 4.025 6.938 ( 0.000 -9.219 0.000) 9.219 6.993 ( 0.000 -11.274 0.000) 11.274 7.162 ( 0.000 3.611 0.000) 3.611 7.244 ( 0.000 -1.331 0.000) 1.331 7.405 ( 0.000 -4.617 0.000) 4.617 7.437 ( 0.000 -5.067 0.000) 5.067 7.575 ( 0.000 -0.114 0.000) 0.114 7.585 ( 0.000 -0.916 0.000) 0.916 7.674 ( 0.000 6.519 0.000) 6.519 7.727 ( 0.000 3.669 0.000) 3.669 7.773 ( 0.000 3.319 0.000) 3.319 7.827 ( 0.000 -1.984 0.000) 1.984 7.899 ( 0.000 -0.519 0.000) 0.519 7.960 ( 0.000 -4.674 0.000) 4.674 7.982 ( 0.000 3.604 0.000) 3.604 8.062 ( 0.000 -3.065 0.000) 3.065 8.206 ( 0.000 5.843 0.000) 5.843 8.310 ( 0.000 -2.359 0.000) 2.359 8.322 ( 0.000 -0.085 0.000) 0.085 8.323 ( 0.000 1.516 0.000) 1.516 8.650 ( 0.000 8.191 0.000) 8.191 8.700 ( 0.000 3.484 0.000) 3.484 8.704 ( 0.000 1.489 0.000) 1.489 8.750 ( 0.000 0.445 0.000) 0.445 8.792 ( 0.000 4.923 0.000) 4.923 8.829 ( 0.000 2.085 0.000) 2.085 8.879 ( 0.000 -4.051 0.000) 4.051 8.963 ( 0.000 -9.014 0.000) 9.014 9.023 ( 0.000 7.112 0.000) 7.112 9.122 ( 0.000 -1.264 0.000) 1.264 9.161 ( 0.000 4.744 0.000) 4.744 9.203 ( 0.000 3.127 0.000) 3.127 9.248 ( 0.000 -2.774 0.000) 2.774 9.360 ( 0.000 -7.373 0.000) 7.373 9.496 ( 0.000 7.221 0.000) 7.221 9.545 ( 0.000 -3.220 0.000) 3.220 9.560 ( 0.000 -0.742 0.000) 0.742 9.691 ( 0.000 -10.638 0.000) 10.638 9.748 ( 0.000 2.680 0.000) 2.680 9.806 ( 0.000 -2.473 0.000) 2.473 9.848 ( 0.000 5.948 0.000) 5.948 9.960 ( 0.000 -4.666 0.000) 4.666 10.175 ( 0.000 1.997 0.000) 1.997 10.209 ( 0.000 2.417 0.000) 2.417 10.225 ( 0.000 -2.046 0.000) 2.046 10.249 ( 0.000 -1.960 0.000) 1.960 10.384 ( 0.000 10.788 0.000) 10.788 10.589 ( 0.000 -2.437 0.000) 2.437 10.645 ( 0.000 -4.281 0.000) 4.281 10.692 ( 0.000 -3.151 0.000) 3.151 10.693 ( 0.000 7.335 0.000) 7.335 10.744 ( 0.000 2.287 0.000) 2.287 10.836 ( 0.000 -3.825 0.000) 3.825 10.860 ( 0.000 -5.517 0.000) 5.517 10.931 ( 0.000 3.243 0.000) 3.243 10.999 ( 0.000 -3.173 0.000) 3.173 11.095 ( 0.000 1.289 0.000) 1.289 11.112 ( 0.000 -0.650 0.000) 0.650 11.155 ( 0.000 0.096 0.000) 0.096 11.160 ( 0.000 -0.390 0.000) 0.390 11.256 ( 0.000 1.622 0.000) 1.622 11.301 ( 0.000 -2.491 0.000) 2.491 11.402 ( 0.000 1.429 0.000) 1.429 11.419 ( 0.000 -0.127 0.000) 0.127 11.431 ( 0.000 1.114 0.000) 1.114 11.455 ( 0.000 -1.112 0.000) 1.112 11.498 ( 0.000 2.417 0.000) 2.417 11.556 ( 0.000 -2.936 0.000) 2.936 11.622 ( 0.000 1.980 0.000) 1.980 11.632 ( 0.000 0.265 0.000) 0.265 11.656 ( 0.000 2.122 0.000) 2.122 11.701 ( 0.000 -1.616 0.000) 1.616 11.783 ( 0.000 3.338 0.000) 3.338 11.849 ( 0.000 1.761 0.000) 1.761 11.885 ( 0.000 -5.889 0.000) 5.889 11.902 ( 0.000 -2.707 0.000) 2.707 12.084 ( 0.000 0.860 0.000) 0.860 12.093 ( 0.000 0.017 0.000) 0.017 12.304 ( 0.000 3.819 0.000) 3.819 12.335 ( 0.000 7.177 0.000) 7.177 12.386 ( 0.000 -4.168 0.000) 4.168 12.483 ( 0.000 -6.790 0.000) 6.790 12.677 ( 0.000 1.846 0.000) 1.846 12.681 ( 0.000 0.756 0.000) 0.756 12.691 ( 0.000 -0.274 0.000) 0.274 12.719 ( 0.000 -2.147 0.000) 2.147 12.811 ( 0.000 0.770 0.000) 0.770 12.821 ( 0.000 -0.109 0.000) 0.109 13.005 ( 0.000 1.047 0.000) 1.047 13.038 ( 0.000 -1.864 0.000) 1.864 13.309 ( 0.000 3.225 0.000) 3.225 13.384 ( 0.000 -3.760 0.000) 3.760 13.437 ( 0.000 8.990 0.000) 8.990 13.613 ( 0.000 -7.708 0.000) 7.708 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 9.197 18.458 0.000) 20.623 1.131 ( -1.789 26.459 0.000) 26.519 1.405 ( 4.680 -18.706 0.000) 19.282 1.647 ( -3.113 -20.961 0.000) 21.191 1.785 ( -10.135 4.894 0.000) 11.255 1.814 ( -5.847 0.016 0.000) 5.847 1.899 ( -7.209 -7.707 0.000) 10.553 1.910 ( -1.159 -3.957 0.000) 4.124 2.308 ( 14.835 30.674 0.000) 34.072 2.704 ( 7.875 0.255 0.000) 7.879 2.781 ( 9.639 -5.109 0.000) 10.909 2.948 ( 8.397 -25.512 0.000) 26.858 2.994 ( -1.903 7.569 0.000) 7.804 3.072 ( 0.517 -0.052 0.000) 0.520 3.109 ( -2.731 14.382 0.000) 14.639 3.362 ( -5.302 -8.092 0.000) 9.674 3.510 ( 0.658 1.235 0.000) 1.399 3.554 ( -2.685 8.247 0.000) 8.673 3.606 ( 2.630 -7.254 0.000) 7.716 3.701 ( -1.320 -3.667 0.000) 3.897 3.785 ( -2.071 4.153 0.000) 4.641 3.875 ( -4.984 1.829 0.000) 5.309 3.929 ( -0.864 -7.810 0.000) 7.858 3.939 ( -3.135 -4.188 0.000) 5.232 4.266 ( -1.618 5.980 0.000) 6.195 4.329 ( 2.127 5.148 0.000) 5.570 4.367 ( -0.807 -3.984 0.000) 4.065 4.427 ( -0.625 -4.145 0.000) 4.192 4.646 ( 1.644 4.130 0.000) 4.445 4.657 ( 10.988 8.759 0.000) 14.052 4.752 ( 2.405 -5.876 0.000) 6.349 4.853 ( 1.034 11.289 0.000) 11.337 4.856 ( 1.373 -3.261 0.000) 3.538 4.913 ( -0.161 0.977 0.000) 0.991 4.932 ( -0.977 1.681 0.000) 1.944 5.068 ( 1.244 -8.761 0.000) 8.849 5.106 ( -4.296 4.196 0.000) 6.005 5.270 ( -1.121 -7.264 0.000) 7.350 5.282 ( -3.525 6.953 0.000) 7.795 5.367 ( -4.171 0.913 0.000) 4.270 5.410 ( -6.120 -3.955 0.000) 7.287 5.459 ( 4.783 -3.982 0.000) 6.224 5.555 ( -6.041 1.287 0.000) 6.177 5.567 ( -2.772 3.486 0.000) 4.454 5.635 ( 1.740 -1.140 0.000) 2.080 5.664 ( 4.220 -2.340 0.000) 4.825 5.752 ( 0.268 0.134 0.000) 0.299 5.832 ( -0.519 -5.852 0.000) 5.875 5.915 ( 8.774 5.902 0.000) 10.575 6.088 ( 10.495 -7.545 0.000) 12.925 6.132 ( -1.353 2.658 0.000) 2.983 6.193 ( 1.507 -2.600 0.000) 3.005 6.279 ( -5.522 0.737 0.000) 5.571 6.287 ( -3.324 4.752 0.000) 5.800 6.308 ( -7.120 0.315 0.000) 7.127 6.388 ( 0.042 -4.132 0.000) 4.132 6.456 ( 0.036 3.158 0.000) 3.158 6.546 ( -0.203 -3.405 0.000) 3.411 6.582 ( 0.911 6.485 0.000) 6.548 6.608 ( 0.618 4.643 0.000) 4.684 6.844 ( -4.443 -5.453 0.000) 7.034 6.870 ( 0.989 0.538 0.000) 1.126 6.896 ( -3.352 -1.606 0.000) 3.717 6.937 ( -5.295 -11.164 0.000) 12.355 7.159 ( 4.364 4.940 0.000) 6.592 7.280 ( 2.874 -6.325 0.000) 6.947 7.405 ( 0.493 -1.491 0.000) 1.570 7.434 ( 0.961 -4.650 0.000) 4.748 7.527 ( -3.320 0.922 0.000) 3.446 7.568 ( -3.371 -2.116 0.000) 3.980 7.669 ( -1.352 4.408 0.000) 4.611 7.724 ( 0.037 3.001 0.000) 3.001 7.836 ( -4.550 2.759 0.000) 5.321 7.871 ( 8.292 4.940 0.000) 9.652 7.957 ( 9.844 -3.152 0.000) 10.336 7.963 ( 1.708 -6.335 0.000) 6.561 8.024 ( 3.012 4.053 0.000) 5.050 8.104 ( 3.167 -3.456 0.000) 4.688 8.189 ( -1.003 4.768 0.000) 4.873 8.254 ( -3.258 1.523 0.000) 3.596 8.300 ( -3.047 -0.227 0.000) 3.056 8.335 ( -1.574 -1.795 0.000) 2.388 8.591 ( -6.406 5.740 0.000) 8.601 8.654 ( -1.756 2.965 0.000) 3.446 8.669 ( -5.803 -0.865 0.000) 5.867 8.704 ( -2.699 -0.838 0.000) 2.826 8.721 ( -4.059 3.098 0.000) 5.106 8.767 ( -1.985 1.859 0.000) 2.719 8.900 ( 1.831 2.718 0.000) 3.277 9.012 ( -1.206 10.172 0.000) 10.243 9.044 ( 5.069 -8.683 0.000) 10.054 9.175 ( 3.359 -2.987 0.000) 4.495 9.190 ( 2.357 4.226 0.000) 4.839 9.242 ( 2.554 2.614 0.000) 3.654 9.260 ( 1.130 -1.850 0.000) 2.168 9.344 ( -1.524 -5.295 0.000) 5.509 9.534 ( 3.235 6.593 0.000) 7.344 9.572 ( 1.591 -0.340 0.000) 1.627 9.588 ( 3.755 -4.287 0.000) 5.699 9.705 ( 0.889 -8.460 0.000) 8.507 9.731 ( -1.494 3.372 0.000) 3.688 9.808 ( 0.066 -3.393 0.000) 3.394 9.826 ( -1.928 3.898 0.000) 4.349 9.917 ( -3.868 -4.006 0.000) 5.569 10.187 ( 1.277 2.511 0.000) 2.817 10.223 ( 1.118 2.658 0.000) 2.883 10.250 ( 2.193 -2.692 0.000) 3.472 10.268 ( 1.899 -2.115 0.000) 2.842 10.437 ( 4.566 8.691 0.000) 9.817 10.613 ( 2.151 -3.485 0.000) 4.096 10.637 ( -0.313 -0.583 0.000) 0.661 10.686 ( -0.946 5.374 0.000) 5.456 10.713 ( 1.743 -4.433 0.000) 4.763 10.719 ( -2.490 2.063 0.000) 3.233 10.818 ( -1.889 -2.756 0.000) 3.341 10.844 ( -1.437 -4.014 0.000) 4.264 10.947 ( 1.579 3.019 0.000) 3.407 11.008 ( 0.966 -2.785 0.000) 2.948 11.079 ( -1.269 1.906 0.000) 2.290 11.110 ( -0.427 -1.290 0.000) 1.359 11.178 ( 1.817 0.041 0.000) 1.817 11.189 ( 2.644 -1.097 0.000) 2.862 11.239 ( -1.301 1.223 0.000) 1.786 11.280 ( -1.805 -2.342 0.000) 2.957 11.403 ( -2.279 1.211 0.000) 2.581 11.413 ( 0.263 1.185 0.000) 1.214 11.433 ( 1.964 0.200 0.000) 1.974 11.434 ( -1.876 -1.673 0.000) 2.514 11.471 ( -2.090 2.180 0.000) 3.020 11.540 ( -0.363 -3.290 0.000) 3.310 11.636 ( -1.633 3.294 0.000) 3.677 11.646 ( 2.127 3.195 0.000) 3.838 11.673 ( 3.157 0.295 0.000) 3.171 11.704 ( -0.740 -3.079 0.000) 3.166 11.804 ( -3.110 3.561 0.000) 4.728 11.827 ( 3.784 1.904 0.000) 4.237 11.869 ( -3.002 -2.592 0.000) 3.966 11.904 ( 1.710 -5.004 0.000) 5.289 12.041 ( -3.258 2.480 0.000) 4.094 12.082 ( -1.825 -1.578 0.000) 2.412 12.291 ( -1.101 4.201 0.000) 4.343 12.316 ( -1.536 6.751 0.000) 6.923 12.381 ( -0.358 -4.557 0.000) 4.571 12.457 ( -2.348 -6.380 0.000) 6.798 12.681 ( 0.116 1.055 0.000) 1.061 12.684 ( 0.536 1.883 0.000) 1.958 12.699 ( 0.677 -0.695 0.000) 0.970 12.727 ( 0.462 -2.159 0.000) 2.208 12.828 ( 1.729 0.382 0.000) 1.771 12.832 ( 1.367 0.076 0.000) 1.369 12.988 ( -1.720 0.941 0.000) 1.960 13.017 ( -2.054 -1.648 0.000) 2.634 13.335 ( 2.128 3.597 0.000) 4.180 13.415 ( 2.927 -3.978 0.000) 4.939 13.431 ( -0.531 8.459 0.000) 8.476 13.599 ( -1.436 -7.341 0.000) 7.480 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 11.051 14.926 0.000) 18.572 1.247 ( 12.423 12.309 0.000) 17.488 1.484 ( -3.206 -7.208 0.000) 7.889 1.524 ( -11.485 1.074 0.000) 11.535 1.648 ( -3.068 -3.958 0.000) 5.008 1.654 ( 0.888 -10.885 0.000) 10.921 1.760 ( -5.904 -10.748 0.000) 12.263 1.789 ( -8.271 -11.674 0.000) 14.308 2.661 ( 16.998 25.238 0.000) 30.429 2.893 ( 8.273 4.413 0.000) 9.376 2.934 ( -8.088 14.865 0.000) 16.923 2.980 ( 10.040 -4.709 0.000) 11.089 3.000 ( -4.671 9.064 0.000) 10.197 3.092 ( 0.206 -2.242 0.000) 2.251 3.104 ( 5.253 -14.649 0.000) 15.562 3.222 ( -8.072 -8.397 0.000) 11.648 3.532 ( 1.120 5.371 0.000) 5.487 3.541 ( 1.602 2.596 0.000) 3.050 3.634 ( -0.253 -5.262 0.000) 5.268 3.649 ( -2.713 -5.259 0.000) 5.918 3.747 ( -1.034 5.752 0.000) 5.845 3.770 ( -4.008 3.360 0.000) 5.230 3.885 ( -1.188 -7.515 0.000) 7.609 3.901 ( -1.987 -8.853 0.000) 9.074 4.294 ( 3.940 4.026 0.000) 5.633 4.356 ( 0.341 2.158 0.000) 2.184 4.356 ( -0.144 -2.138 0.000) 2.143 4.382 ( -3.809 -0.006 0.000) 3.809 4.695 ( 3.076 4.695 0.000) 5.613 4.763 ( -3.060 5.566 0.000) 6.351 4.812 ( 3.120 -5.430 0.000) 6.263 4.872 ( -2.600 -1.541 0.000) 3.022 4.890 ( 2.916 10.046 0.000) 10.460 4.918 ( 6.528 5.325 0.000) 8.425 5.003 ( 0.943 2.401 0.000) 2.579 5.071 ( 7.142 -1.448 0.000) 7.287 5.093 ( 0.000 -6.986 0.000) 6.986 5.209 ( -4.592 3.316 0.000) 5.664 5.233 ( -2.516 -10.122 0.000) 10.430 5.263 ( -7.212 -1.092 0.000) 7.294 5.334 ( 1.174 5.940 0.000) 6.055 5.419 ( -7.083 0.525 0.000) 7.102 5.505 ( 0.407 -9.651 0.000) 9.660 5.519 ( -1.533 -6.458 0.000) 6.637 5.690 ( 2.321 3.878 0.000) 4.520 5.728 ( -2.036 5.008 0.000) 5.407 5.747 ( 4.128 -1.319 0.000) 4.333 5.802 ( -1.596 -1.739 0.000) 2.360 6.083 ( 6.471 5.135 0.000) 8.261 6.106 ( -0.377 3.429 0.000) 3.449 6.170 ( -4.459 -0.295 0.000) 4.469 6.185 ( 1.015 2.696 0.000) 2.881 6.188 ( -2.395 -4.036 0.000) 4.693 6.233 ( -2.415 6.518 0.000) 6.952 6.335 ( 6.952 -11.209 0.000) 13.190 6.390 ( 0.180 -7.443 0.000) 7.446 6.509 ( 4.174 2.387 0.000) 4.808 6.562 ( 2.538 -2.126 0.000) 3.311 6.570 ( -2.648 6.574 0.000) 7.088 6.651 ( 2.112 7.367 0.000) 7.664 6.734 ( -4.574 -9.036 0.000) 10.127 6.798 ( -1.883 0.200 0.000) 1.894 6.820 ( -6.627 -1.935 0.000) 6.904 6.823 ( -4.137 -8.237 0.000) 9.217 7.308 ( 8.450 2.989 0.000) 8.963 7.379 ( 5.190 -4.451 0.000) 6.837 7.446 ( -4.932 0.456 0.000) 4.953 7.460 ( 4.773 -0.780 0.000) 4.836 7.476 ( -4.970 -1.932 0.000) 5.332 7.484 ( 5.172 -2.782 0.000) 5.873 7.575 ( -6.641 2.465 0.000) 7.084 7.641 ( -8.121 -3.328 0.000) 8.776 7.861 ( 6.278 9.499 0.000) 11.387 7.977 ( -1.717 7.798 0.000) 7.985 8.036 ( 4.457 -4.659 0.000) 6.447 8.088 ( -0.066 0.497 0.000) 0.502 8.093 ( 4.299 1.698 0.000) 4.622 8.165 ( 2.654 -3.773 0.000) 4.613 8.195 ( -1.292 -2.853 0.000) 3.132 8.209 ( -1.312 1.624 0.000) 2.088 8.268 ( 1.091 -2.171 0.000) 2.430 8.279 ( 5.440 -0.782 0.000) 5.496 8.421 ( -9.531 3.584 0.000) 10.183 8.476 ( -10.825 -1.711 0.000) 10.960 8.664 ( 1.947 2.721 0.000) 3.346 8.693 ( 1.098 0.460 0.000) 1.190 8.697 ( -0.889 2.949 0.000) 3.080 8.726 ( -2.000 1.458 0.000) 2.475 8.940 ( 1.950 8.145 0.000) 8.375 8.979 ( -1.915 10.976 0.000) 11.142 9.139 ( 4.165 -9.465 0.000) 10.341 9.198 ( -1.210 -7.634 0.000) 7.729 9.239 ( 2.252 3.485 0.000) 4.149 9.271 ( -0.331 2.176 0.000) 2.201 9.286 ( 1.277 -0.561 0.000) 1.395 9.310 ( -1.387 -0.804 0.000) 1.603 9.605 ( 3.433 5.342 0.000) 6.350 9.625 ( 3.460 1.498 0.000) 3.770 9.655 ( 0.036 -0.118 0.000) 0.124 9.695 ( -2.470 -0.678 0.000) 2.561 9.719 ( 2.687 -0.496 0.000) 2.732 9.791 ( -1.534 -3.200 0.000) 3.549 9.806 ( -0.179 -4.980 0.000) 4.984 9.827 ( -4.047 -4.079 0.000) 5.746 10.222 ( 1.811 3.134 0.000) 3.620 10.241 ( 0.204 3.113 0.000) 3.120 10.297 ( 1.947 -3.162 0.000) 3.714 10.306 ( 1.173 -2.719 0.000) 2.962 10.542 ( 5.431 5.272 0.000) 7.570 10.630 ( 0.427 -2.303 0.000) 2.342 10.645 ( -4.401 2.521 0.000) 5.072 10.656 ( -2.055 1.340 0.000) 2.454 10.680 ( 3.720 1.562 0.000) 4.035 10.755 ( 2.408 -4.687 0.000) 5.270 10.759 ( -3.736 0.118 0.000) 3.738 10.806 ( -2.391 -3.650 0.000) 4.364 10.993 ( 2.777 2.694 0.000) 3.869 11.039 ( 1.994 -1.848 0.000) 2.718 11.046 ( -2.180 2.548 0.000) 3.353 11.083 ( -2.166 -1.309 0.000) 2.531 11.215 ( 1.418 0.108 0.000) 1.422 11.226 ( 0.083 -0.140 0.000) 0.163 11.237 ( 1.347 -2.021 0.000) 2.429 11.248 ( -0.884 -1.825 0.000) 2.028 11.368 ( -0.483 1.351 0.000) 1.435 11.391 ( -2.080 1.473 0.000) 2.549 11.403 ( -0.437 -2.043 0.000) 2.090 11.422 ( -1.813 -1.294 0.000) 2.228 11.507 ( 4.168 2.866 0.000) 5.058 11.571 ( 3.336 -2.785 0.000) 4.346 11.588 ( -3.327 3.478 0.000) 4.813 11.651 ( -3.984 -2.506 0.000) 4.707 11.697 ( 2.761 3.797 0.000) 4.694 11.740 ( 3.303 -0.228 0.000) 3.310 11.752 ( -2.503 3.384 0.000) 4.209 11.803 ( -3.089 -1.255 0.000) 3.334 11.907 ( 3.583 0.907 0.000) 3.696 11.951 ( 3.072 -3.295 0.000) 4.505 11.972 ( -3.240 2.294 0.000) 3.970 12.024 ( -3.670 -2.532 0.000) 4.459 12.273 ( -0.333 4.955 0.000) 4.966 12.284 ( -1.366 5.715 0.000) 5.876 12.380 ( 0.479 -5.290 0.000) 5.312 12.407 ( -2.142 -5.801 0.000) 6.184 12.686 ( 0.301 1.482 0.000) 1.512 12.690 ( 0.016 1.794 0.000) 1.794 12.715 ( 0.832 -1.337 0.000) 1.575 12.728 ( -0.359 -1.846 0.000) 1.880 12.875 ( 2.963 0.414 0.000) 2.992 12.885 ( 3.520 -0.443 0.000) 3.548 12.939 ( -3.013 0.690 0.000) 3.091 12.959 ( -3.530 -1.112 0.000) 3.701 13.380 ( 2.076 5.085 0.000) 5.493 13.414 ( -1.267 7.003 0.000) 7.116 13.487 ( 3.761 -4.996 0.000) 6.253 13.555 ( -2.843 -6.333 0.000) 6.942 ======================= Grid point 25 (10/45) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 0.000 0.000 21.735) 21.735 0.491 ( 0.000 0.000 24.709) 24.709 0.771 ( 0.000 0.000 36.740) 36.740 1.800 ( 0.000 0.000 3.742) 3.742 1.897 ( 0.000 0.000 -2.185) 2.185 1.944 ( 0.000 0.000 0.303) 0.303 2.061 ( 0.000 0.000 6.401) 6.401 2.485 ( 0.000 0.000 0.473) 0.473 2.490 ( 0.000 0.000 -1.214) 1.214 2.616 ( 0.000 0.000 -1.946) 1.946 2.684 ( 0.000 0.000 7.028) 7.028 2.826 ( 0.000 0.000 1.305) 1.305 2.911 ( 0.000 0.000 -0.192) 0.192 3.062 ( 0.000 0.000 12.311) 12.311 3.242 ( 0.000 0.000 0.871) 0.871 3.476 ( 0.000 0.000 -5.943) 5.943 3.539 ( 0.000 0.000 3.700) 3.700 3.628 ( 0.000 0.000 10.158) 10.158 3.695 ( 0.000 0.000 6.343) 6.343 3.764 ( 0.000 0.000 -2.491) 2.491 3.855 ( 0.000 0.000 -1.603) 1.603 3.869 ( 0.000 0.000 -4.509) 4.509 4.040 ( 0.000 0.000 -6.107) 6.107 4.109 ( 0.000 0.000 -4.460) 4.460 4.214 ( 0.000 0.000 4.300) 4.300 4.320 ( 0.000 0.000 8.143) 8.143 4.445 ( 0.000 0.000 0.018) 0.018 4.492 ( 0.000 0.000 5.304) 5.304 4.533 ( 0.000 0.000 1.276) 1.276 4.537 ( 0.000 0.000 6.088) 6.088 4.580 ( 0.000 0.000 4.124) 4.124 4.603 ( 0.000 0.000 5.657) 5.657 4.653 ( 0.000 0.000 2.731) 2.731 5.015 ( 0.000 0.000 -5.581) 5.581 5.029 ( 0.000 0.000 -0.537) 0.537 5.106 ( 0.000 0.000 -5.912) 5.912 5.186 ( 0.000 0.000 2.616) 2.616 5.255 ( 0.000 0.000 7.982) 7.982 5.308 ( 0.000 0.000 2.458) 2.458 5.393 ( 0.000 0.000 -3.519) 3.519 5.403 ( 0.000 0.000 7.177) 7.177 5.486 ( 0.000 0.000 -10.649) 10.649 5.525 ( 0.000 0.000 1.558) 1.558 5.646 ( 0.000 0.000 8.037) 8.037 5.776 ( 0.000 0.000 3.117) 3.117 5.803 ( 0.000 0.000 4.270) 4.270 5.825 ( 0.000 0.000 5.551) 5.551 5.895 ( 0.000 0.000 -1.638) 1.638 5.931 ( 0.000 0.000 6.959) 6.959 6.085 ( 0.000 0.000 -4.169) 4.169 6.158 ( 0.000 0.000 7.538) 7.538 6.175 ( 0.000 0.000 -3.629) 3.629 6.263 ( 0.000 0.000 -3.635) 3.635 6.287 ( 0.000 0.000 1.869) 1.869 6.410 ( 0.000 0.000 -0.147) 0.147 6.433 ( 0.000 0.000 7.931) 7.931 6.444 ( 0.000 0.000 0.874) 0.874 6.506 ( 0.000 0.000 4.521) 4.521 6.611 ( 0.000 0.000 -0.463) 0.463 6.637 ( 0.000 0.000 -0.564) 0.564 6.681 ( 0.000 0.000 0.684) 0.684 7.014 ( 0.000 0.000 -0.821) 0.821 7.143 ( 0.000 0.000 -4.373) 4.373 7.178 ( 0.000 0.000 1.370) 1.370 7.206 ( 0.000 0.000 2.398) 2.398 7.273 ( 0.000 0.000 -1.870) 1.870 7.470 ( 0.000 0.000 -5.678) 5.678 7.481 ( 0.000 0.000 -0.117) 0.117 7.542 ( 0.000 0.000 -1.207) 1.207 7.645 ( 0.000 0.000 0.858) 0.858 7.686 ( 0.000 0.000 -7.237) 7.237 7.693 ( 0.000 0.000 3.842) 3.842 7.703 ( 0.000 0.000 1.576) 1.576 7.831 ( 0.000 0.000 -0.444) 0.444 7.935 ( 0.000 0.000 2.460) 2.460 7.957 ( 0.000 0.000 5.594) 5.594 8.007 ( 0.000 0.000 -1.866) 1.866 8.082 ( 0.000 0.000 4.801) 4.801 8.137 ( 0.000 0.000 -5.629) 5.629 8.152 ( 0.000 0.000 -3.212) 3.212 8.193 ( 0.000 0.000 1.358) 1.358 8.405 ( 0.000 0.000 2.259) 2.259 8.406 ( 0.000 0.000 2.754) 2.754 8.455 ( 0.000 0.000 1.297) 1.297 8.629 ( 0.000 0.000 -1.099) 1.099 8.641 ( 0.000 0.000 -2.990) 2.990 8.645 ( 0.000 0.000 3.661) 3.661 8.716 ( 0.000 0.000 -8.704) 8.704 8.964 ( 0.000 0.000 0.113) 0.113 9.071 ( 0.000 0.000 -8.468) 8.468 9.080 ( 0.000 0.000 4.489) 4.489 9.226 ( 0.000 0.000 6.607) 6.607 9.233 ( 0.000 0.000 -10.179) 10.179 9.236 ( 0.000 0.000 5.203) 5.203 9.255 ( 0.000 0.000 6.199) 6.199 9.304 ( 0.000 0.000 5.004) 5.004 9.375 ( 0.000 0.000 2.118) 2.118 9.564 ( 0.000 0.000 1.746) 1.746 9.602 ( 0.000 0.000 -3.698) 3.698 9.663 ( 0.000 0.000 -2.990) 2.990 9.836 ( 0.000 0.000 -1.917) 1.917 9.905 ( 0.000 0.000 -4.551) 4.551 10.019 ( 0.000 0.000 -0.419) 0.419 10.057 ( 0.000 0.000 2.283) 2.283 10.071 ( 0.000 0.000 1.489) 1.489 10.122 ( 0.000 0.000 0.025) 0.025 10.150 ( 0.000 0.000 0.521) 0.521 10.273 ( 0.000 0.000 6.051) 6.051 10.358 ( 0.000 0.000 -2.009) 2.009 10.400 ( 0.000 0.000 -1.986) 1.986 10.417 ( 0.000 0.000 -6.708) 6.708 10.778 ( 0.000 0.000 3.138) 3.138 10.819 ( 0.000 0.000 3.120) 3.120 10.825 ( 0.000 0.000 -3.005) 3.005 10.861 ( 0.000 0.000 1.120) 1.120 10.971 ( 0.000 0.000 -2.858) 2.858 10.998 ( 0.000 0.000 3.920) 3.920 11.023 ( 0.000 0.000 2.196) 2.196 11.076 ( 0.000 0.000 -0.024) 0.024 11.153 ( 0.000 0.000 -2.355) 2.355 11.161 ( 0.000 0.000 0.495) 0.495 11.215 ( 0.000 0.000 4.466) 4.466 11.255 ( 0.000 0.000 0.828) 0.828 11.313 ( 0.000 0.000 -7.188) 7.188 11.393 ( 0.000 0.000 1.181) 1.181 11.398 ( 0.000 0.000 1.740) 1.740 11.421 ( 0.000 0.000 0.697) 0.697 11.423 ( 0.000 0.000 -1.986) 1.986 11.543 ( 0.000 0.000 4.421) 4.421 11.547 ( 0.000 0.000 1.662) 1.662 11.547 ( 0.000 0.000 -6.341) 6.341 11.616 ( 0.000 0.000 -0.666) 0.666 11.651 ( 0.000 0.000 3.457) 3.457 11.696 ( 0.000 0.000 4.504) 4.504 11.712 ( 0.000 0.000 -1.947) 1.947 11.850 ( 0.000 0.000 2.974) 2.974 11.930 ( 0.000 0.000 -3.127) 3.127 11.959 ( 0.000 0.000 -7.145) 7.145 12.046 ( 0.000 0.000 -1.434) 1.434 12.095 ( 0.000 0.000 -2.667) 2.667 12.161 ( 0.000 0.000 0.043) 0.043 12.175 ( 0.000 0.000 3.941) 3.941 12.427 ( 0.000 0.000 -12.651) 12.651 12.586 ( 0.000 0.000 -4.153) 4.153 12.597 ( 0.000 0.000 -3.169) 3.169 12.653 ( 0.000 0.000 -5.761) 5.761 12.666 ( 0.000 0.000 -10.431) 10.431 12.675 ( 0.000 0.000 -2.361) 2.361 12.798 ( 0.000 0.000 0.234) 0.234 12.801 ( 0.000 0.000 0.843) 0.843 12.976 ( 0.000 0.000 -9.980) 9.980 12.996 ( 0.000 0.000 -4.262) 4.262 13.152 ( 0.000 0.000 0.521) 0.521 13.288 ( 0.000 0.000 3.134) 3.134 13.513 ( 0.000 0.000 2.060) 2.060 13.750 ( 0.000 0.000 -3.727) 3.727 ======================= Grid point 26 (11/45) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 16.350 0.000 15.809) 22.743 0.738 ( 24.490 0.000 11.835) 27.200 1.131 ( 27.394 0.000 21.725) 34.963 1.697 ( -7.371 0.000 4.104) 8.437 1.952 ( 3.338 0.000 1.472) 3.648 1.978 ( 2.572 0.000 -0.276) 2.586 2.077 ( 1.630 0.000 4.375) 4.669 2.255 ( -19.339 0.000 1.423) 19.392 2.430 ( -5.417 0.000 0.351) 5.429 2.588 ( -3.628 0.000 -0.884) 3.735 2.712 ( 3.358 0.000 8.341) 8.992 2.881 ( 5.719 0.000 1.476) 5.906 2.969 ( 2.164 0.000 -0.269) 2.180 3.027 ( -2.281 0.000 12.123) 12.336 3.315 ( 6.486 0.000 0.258) 6.491 3.368 ( -8.722 0.000 -3.103) 9.257 3.432 ( -7.123 0.000 2.300) 7.485 3.672 ( 3.267 0.000 8.041) 8.680 3.700 ( 2.981 0.000 5.552) 6.302 3.764 ( -7.304 0.000 -1.898) 7.547 3.835 ( -4.044 0.000 -2.335) 4.670 3.899 ( 9.037 0.000 -2.646) 9.416 3.956 ( -7.587 0.000 -1.607) 7.755 4.121 ( 2.816 0.000 -2.823) 3.987 4.249 ( 1.809 0.000 0.457) 1.866 4.414 ( 2.308 0.000 5.632) 6.087 4.447 ( -3.733 0.000 -0.488) 3.764 4.470 ( 0.839 0.000 4.884) 4.955 4.537 ( -2.048 0.000 6.509) 6.824 4.541 ( -0.383 0.000 3.560) 3.581 4.584 ( 9.048 0.000 2.865) 9.491 4.624 ( 0.684 0.000 3.877) 3.936 4.695 ( 2.899 0.000 3.435) 4.495 5.001 ( -3.673 0.000 -1.753) 4.070 5.010 ( -0.497 0.000 -1.394) 1.480 5.084 ( 0.150 0.000 -0.702) 0.717 5.145 ( 1.423 0.000 -6.125) 6.288 5.300 ( -1.277 0.000 5.629) 5.772 5.313 ( -0.604 0.000 -0.421) 0.736 5.317 ( -6.821 0.000 -1.981) 7.103 5.453 ( -1.170 0.000 6.446) 6.551 5.457 ( 7.186 0.000 -1.636) 7.370 5.570 ( 3.503 0.000 -2.805) 4.488 5.666 ( -1.198 0.000 8.882) 8.963 5.749 ( -1.555 0.000 3.237) 3.591 5.793 ( 0.014 0.000 2.742) 2.743 5.860 ( -2.520 0.000 2.437) 3.506 5.911 ( -0.742 0.000 1.315) 1.509 5.959 ( 3.306 0.000 3.880) 5.098 5.996 ( -9.909 0.000 -0.734) 9.936 6.070 ( -1.008 0.000 -1.953) 2.198 6.145 ( -1.961 0.000 -3.102) 3.670 6.289 ( 5.574 0.000 5.067) 7.533 6.305 ( 0.961 0.000 2.838) 2.996 6.358 ( -1.623 0.000 2.573) 3.042 6.423 ( -4.041 0.000 0.939) 4.149 6.506 ( 3.451 0.000 3.186) 4.697 6.546 ( 11.028 0.000 0.444) 11.037 6.598 ( 0.966 0.000 4.402) 4.507 6.653 ( -0.616 0.000 -2.950) 3.014 6.893 ( -12.346 0.000 -0.298) 12.349 6.903 ( 10.325 0.000 1.774) 10.476 7.008 ( -2.196 0.000 -3.942) 4.512 7.150 ( -0.810 0.000 3.949) 4.031 7.300 ( 5.159 0.000 2.743) 5.843 7.375 ( -7.621 0.000 -3.793) 8.512 7.409 ( -5.068 0.000 -0.680) 5.113 7.446 ( 5.328 0.000 -5.709) 7.809 7.531 ( 3.335 0.000 0.289) 3.347 7.572 ( -1.308 0.000 -3.184) 3.442 7.687 ( -2.175 0.000 1.338) 2.554 7.730 ( 3.017 0.000 3.723) 4.791 7.750 ( -2.099 0.000 -1.263) 2.450 7.849 ( 1.282 0.000 0.221) 1.301 7.918 ( -1.934 0.000 -0.563) 2.014 7.923 ( -3.925 0.000 2.209) 4.504 8.045 ( 9.466 0.000 -1.536) 9.590 8.048 ( -5.052 0.000 0.052) 5.052 8.193 ( 2.175 0.000 -4.174) 4.707 8.195 ( 5.816 0.000 2.380) 6.284 8.238 ( 4.915 0.000 1.124) 5.042 8.326 ( -7.602 0.000 -0.323) 7.609 8.399 ( -0.911 0.000 2.654) 2.806 8.444 ( -0.199 0.000 4.523) 4.528 8.590 ( -3.793 0.000 -3.229) 4.981 8.615 ( -0.959 0.000 -1.425) 1.717 8.666 ( 0.622 0.000 3.066) 3.128 8.701 ( -2.428 0.000 -6.789) 7.210 8.905 ( -5.109 0.000 1.173) 5.242 8.973 ( -7.452 0.000 1.645) 7.631 9.101 ( 2.486 0.000 -5.538) 6.070 9.201 ( -1.499 0.000 4.329) 4.581 9.233 ( 3.140 0.000 -2.184) 3.825 9.286 ( 2.929 0.000 4.131) 5.064 9.290 ( 0.705 0.000 6.028) 6.069 9.349 ( 3.574 0.000 -1.143) 3.753 9.409 ( 2.076 0.000 2.526) 3.270 9.562 ( -0.802 0.000 -0.305) 0.858 9.610 ( 0.273 0.000 -3.234) 3.245 9.640 ( -0.983 0.000 -2.567) 2.749 9.844 ( 0.434 0.000 -2.139) 2.183 9.900 ( -0.155 0.000 -4.091) 4.094 9.949 ( -4.113 0.000 0.075) 4.114 10.018 ( -2.885 0.000 1.188) 3.120 10.151 ( 4.312 0.000 -0.027) 4.312 10.171 ( 2.056 0.000 0.459) 2.106 10.182 ( 5.288 0.000 0.642) 5.327 10.314 ( 0.800 0.000 4.846) 4.911 10.392 ( 5.139 0.000 -0.529) 5.166 10.426 ( 2.690 0.000 -4.068) 4.877 10.454 ( 3.809 0.000 -4.783) 6.114 10.746 ( -4.115 0.000 -2.737) 4.942 10.750 ( -2.720 0.000 3.122) 4.140 10.868 ( 0.506 0.000 0.662) 0.833 10.870 ( 1.926 0.000 2.135) 2.875 10.949 ( -1.924 0.000 -3.234) 3.763 10.963 ( -3.928 0.000 4.138) 5.705 11.000 ( -2.051 0.000 2.838) 3.502 11.062 ( -0.643 0.000 -0.634) 0.903 11.170 ( -1.990 0.000 1.722) 2.632 11.171 ( 1.611 0.000 -2.491) 2.967 11.257 ( 1.512 0.000 1.672) 2.254 11.281 ( 5.644 0.000 -2.001) 5.988 11.286 ( -2.134 0.000 -5.318) 5.730 11.388 ( -1.815 0.000 -1.144) 2.146 11.394 ( -1.501 0.000 -0.629) 1.627 11.395 ( -1.566 0.000 2.356) 2.829 11.429 ( 1.661 0.000 1.198) 2.048 11.514 ( 0.308 0.000 -1.880) 1.905 11.543 ( 0.540 0.000 4.083) 4.118 11.569 ( -1.468 0.000 3.580) 3.869 11.621 ( 3.067 0.000 -0.105) 3.068 11.667 ( 0.765 0.000 3.846) 3.921 11.676 ( -0.623 0.000 3.476) 3.531 11.761 ( 3.581 0.000 -2.768) 4.526 11.846 ( -0.783 0.000 2.210) 2.345 11.891 ( -6.444 0.000 -1.337) 6.581 11.916 ( -0.902 0.000 -2.719) 2.864 12.056 ( 0.700 0.000 -2.349) 2.451 12.088 ( -0.738 0.000 -2.514) 2.620 12.139 ( -1.956 0.000 -0.039) 1.956 12.166 ( -0.888 0.000 1.024) 1.355 12.401 ( 0.001 0.000 -9.768) 9.768 12.587 ( 0.050 0.000 -3.918) 3.919 12.590 ( -3.699 0.000 -5.505) 6.632 12.593 ( -0.203 0.000 -3.299) 3.305 12.696 ( 1.693 0.000 -9.896) 10.039 12.700 ( 2.182 0.000 -2.120) 3.042 12.796 ( -0.281 0.000 0.393) 0.483 12.815 ( 1.441 0.000 -0.037) 1.441 12.915 ( -4.669 0.000 -11.369) 12.290 12.975 ( -1.991 0.000 -4.037) 4.501 13.199 ( 3.327 0.000 0.866) 3.438 13.301 ( 0.836 0.000 2.864) 2.984 13.535 ( 2.292 0.000 1.231) 2.601 13.732 ( -1.776 0.000 -3.313) 3.760 ======================= Grid point 27 (12/45) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 18.046 0.000 8.536) 19.963 1.267 ( 26.873 0.000 6.012) 27.537 1.369 ( -11.108 0.000 5.966) 12.609 1.791 ( 19.574 0.000 7.596) 20.996 1.796 ( -25.110 0.000 3.278) 25.323 1.985 ( -1.308 0.000 -0.666) 1.468 2.056 ( 5.795 0.000 4.565) 7.377 2.120 ( 2.101 0.000 5.043) 5.463 2.307 ( -4.966 0.000 1.890) 5.314 2.416 ( -13.084 0.000 2.196) 13.267 2.806 ( 5.438 0.000 10.023) 11.403 2.914 ( -5.007 0.000 10.920) 12.014 3.061 ( 4.247 0.000 0.969) 4.356 3.066 ( 11.944 0.000 0.576) 11.958 3.188 ( -8.217 0.000 -0.253) 8.221 3.289 ( -8.359 0.000 -0.260) 8.363 3.469 ( 7.610 0.000 -0.617) 7.635 3.606 ( -6.973 0.000 -1.384) 7.109 3.736 ( 2.541 0.000 5.512) 6.070 3.751 ( -2.412 0.000 0.265) 2.427 3.754 ( 1.095 0.000 5.131) 5.247 3.801 ( -6.648 0.000 0.827) 6.699 4.095 ( 10.284 0.000 -2.418) 10.564 4.187 ( 3.495 0.000 -1.948) 4.001 4.249 ( -2.080 0.000 -1.709) 2.692 4.301 ( -9.556 0.000 -1.467) 9.668 4.442 ( 2.354 0.000 5.436) 5.924 4.499 ( 1.369 0.000 6.627) 6.767 4.502 ( -2.958 0.000 3.407) 4.512 4.518 ( -0.459 0.000 7.852) 7.865 4.641 ( 1.755 0.000 2.114) 2.747 4.697 ( -2.759 0.000 2.815) 3.942 4.842 ( 13.723 0.000 0.516) 13.733 4.996 ( 3.613 0.000 0.634) 3.668 5.018 ( 0.161 0.000 -4.230) 4.234 5.075 ( -2.877 0.000 -0.120) 2.879 5.105 ( -4.544 0.000 -1.764) 4.874 5.150 ( -8.171 0.000 -0.385) 8.180 5.356 ( 6.162 0.000 -0.974) 6.239 5.361 ( 7.357 0.000 0.482) 7.373 5.509 ( 4.702 0.000 7.677) 9.002 5.523 ( -6.807 0.000 -0.746) 6.847 5.559 ( -12.512 0.000 1.519) 12.603 5.597 ( 6.579 0.000 -5.223) 8.400 5.619 ( -6.379 0.000 5.948) 8.722 5.716 ( -4.056 0.000 -1.781) 4.430 5.811 ( 1.835 0.000 2.013) 2.724 5.866 ( -3.134 0.000 1.327) 3.404 6.031 ( 3.445 0.000 2.689) 4.370 6.072 ( 8.173 0.000 2.606) 8.579 6.081 ( -0.593 0.000 1.715) 1.815 6.149 ( 5.353 0.000 2.134) 5.762 6.245 ( -8.150 0.000 -0.003) 8.150 6.273 ( -3.994 0.000 5.430) 6.741 6.379 ( 2.700 0.000 1.028) 2.889 6.477 ( -6.550 0.000 0.467) 6.567 6.497 ( 7.569 0.000 -0.004) 7.569 6.596 ( -2.651 0.000 -0.904) 2.801 6.678 ( 5.635 0.000 4.494) 7.208 6.777 ( 4.738 0.000 2.377) 5.301 6.785 ( 3.156 0.000 0.572) 3.207 6.907 ( -6.875 0.000 -2.310) 7.252 6.956 ( 2.273 0.000 2.465) 3.353 7.176 ( -12.678 0.000 -0.789) 12.703 7.205 ( 5.260 0.000 2.370) 5.769 7.315 ( -4.338 0.000 1.353) 4.544 7.437 ( 7.425 0.000 -3.142) 8.062 7.519 ( 6.558 0.000 -1.362) 6.698 7.554 ( -1.658 0.000 -3.704) 4.059 7.624 ( -2.565 0.000 0.739) 2.669 7.626 ( -0.544 0.000 -1.658) 1.745 7.657 ( -4.944 0.000 0.128) 4.945 7.791 ( 1.991 0.000 3.374) 3.918 7.832 ( -2.555 0.000 1.834) 3.145 7.878 ( 1.545 0.000 0.633) 1.670 7.904 ( -0.776 0.000 0.972) 1.244 7.998 ( 2.038 0.000 1.104) 2.318 8.133 ( -8.944 0.000 -1.043) 9.005 8.251 ( 9.466 0.000 -4.625) 10.536 8.283 ( 5.129 0.000 -1.230) 5.275 8.296 ( 3.980 0.000 0.787) 4.057 8.369 ( -1.787 0.000 2.631) 3.181 8.382 ( 6.616 0.000 2.683) 7.139 8.397 ( -4.916 0.000 2.045) 5.325 8.482 ( -4.691 0.000 -5.530) 7.252 8.606 ( -7.822 0.000 -1.625) 7.989 8.617 ( 1.519 0.000 0.675) 1.662 8.655 ( -1.583 0.000 2.864) 3.272 8.819 ( -1.339 0.000 0.684) 1.504 8.854 ( -4.048 0.000 -0.847) 4.136 9.149 ( 2.008 0.000 -1.001) 2.244 9.178 ( -0.996 0.000 1.597) 1.882 9.292 ( 1.873 0.000 3.371) 3.856 9.304 ( 0.404 0.000 5.222) 5.238 9.360 ( 3.903 0.000 1.328) 4.122 9.417 ( 3.804 0.000 -4.396) 5.813 9.419 ( -1.430 0.000 1.459) 2.043 9.504 ( -4.309 0.000 -4.769) 6.428 9.624 ( 1.287 0.000 -0.299) 1.321 9.641 ( -0.037 0.000 -2.035) 2.036 9.850 ( 0.439 0.000 -1.998) 2.046 9.879 ( -2.563 0.000 -0.803) 2.685 9.913 ( 1.627 0.000 -2.510) 2.991 9.960 ( -2.735 0.000 -0.522) 2.784 10.228 ( 2.948 0.000 -1.064) 3.134 10.228 ( 3.323 0.000 0.468) 3.356 10.253 ( 0.881 0.000 -0.223) 0.909 10.290 ( -2.493 0.000 1.284) 2.804 10.506 ( 4.717 0.000 -4.019) 6.197 10.533 ( 7.469 0.000 2.803) 7.977 10.558 ( 3.280 0.000 -3.028) 4.463 10.667 ( -5.506 0.000 3.203) 6.370 10.683 ( 0.882 0.000 -3.722) 3.825 10.826 ( -8.635 0.000 1.674) 8.796 10.880 ( 0.849 0.000 -1.119) 1.405 10.907 ( -1.854 0.000 -2.940) 3.476 10.911 ( 1.835 0.000 2.495) 3.097 10.954 ( -2.333 0.000 3.109) 3.887 11.071 ( 1.521 0.000 -0.742) 1.692 11.116 ( -2.728 0.000 -0.610) 2.795 11.211 ( 2.091 0.000 -2.809) 3.501 11.249 ( -1.629 0.000 -2.838) 3.272 11.304 ( 2.439 0.000 2.697) 3.636 11.343 ( -0.885 0.000 -2.026) 2.210 11.343 ( -1.131 0.000 1.141) 1.607 11.363 ( -2.079 0.000 -0.676) 2.186 11.399 ( 3.565 0.000 1.166) 3.751 11.449 ( -0.609 0.000 1.060) 1.222 11.553 ( 3.090 0.000 0.246) 3.099 11.575 ( 2.169 0.000 5.331) 5.756 11.583 ( 2.514 0.000 3.822) 4.574 11.615 ( -2.632 0.000 1.830) 3.205 11.663 ( -0.752 0.000 2.138) 2.267 11.719 ( 3.866 0.000 1.604) 4.186 11.735 ( -7.664 0.000 3.170) 8.294 11.794 ( -2.947 0.000 1.986) 3.554 11.849 ( 3.335 0.000 -4.320) 5.457 11.900 ( -1.294 0.000 -2.853) 3.133 12.075 ( -0.066 0.000 -1.472) 1.474 12.084 ( 2.211 0.000 -1.528) 2.688 12.096 ( -1.964 0.000 -0.390) 2.002 12.135 ( -2.342 0.000 -0.642) 2.428 12.440 ( 3.391 0.000 -7.680) 8.396 12.517 ( -3.791 0.000 -5.126) 6.376 12.588 ( 0.080 0.000 -3.574) 3.575 12.590 ( -0.124 0.000 -3.477) 3.479 12.740 ( 2.973 0.000 -12.563) 12.910 12.748 ( 2.231 0.000 -1.189) 2.528 12.783 ( -1.140 0.000 -0.172) 1.153 12.818 ( -4.586 0.000 -13.215) 13.988 12.859 ( 2.815 0.000 -1.628) 3.251 12.921 ( -3.151 0.000 -3.235) 4.516 13.261 ( 2.685 0.000 1.869) 3.271 13.301 ( -1.057 0.000 2.517) 2.730 13.602 ( 4.003 0.000 -0.608) 4.049 13.679 ( -3.394 0.000 -2.208) 4.049 ======================= Grid point 30 (13/45) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.000 16.599 11.039) 19.935 0.770 ( 0.000 21.884 14.105) 26.036 1.291 ( 0.000 37.383 22.762) 43.767 1.766 ( 0.000 -13.382 1.486) 13.464 1.809 ( 0.000 0.226 2.737) 2.746 1.902 ( 0.000 -2.749 1.140) 2.976 1.999 ( 0.000 -2.733 4.189) 5.002 2.244 ( 0.000 -13.334 1.251) 13.392 2.323 ( 0.000 -13.824 -0.057) 13.824 2.731 ( 0.000 1.350 1.012) 1.687 2.757 ( 0.000 -5.156 1.818) 5.467 2.863 ( 0.000 11.310 -1.019) 11.356 2.968 ( 0.000 4.092 0.228) 4.099 3.014 ( 0.000 2.756 13.192) 13.477 3.291 ( 0.000 -8.117 0.551) 8.135 3.408 ( 0.000 1.527 -3.409) 3.735 3.521 ( 0.000 -0.513 4.231) 4.262 3.640 ( 0.000 -2.909 6.330) 6.967 3.697 ( 0.000 4.867 8.269) 9.595 3.733 ( 0.000 -5.251 -1.758) 5.537 3.840 ( 0.000 -0.689 -0.373) 0.783 3.895 ( 0.000 1.410 -2.067) 2.502 4.077 ( 0.000 -4.308 0.979) 4.418 4.079 ( 0.000 3.569 -6.286) 7.229 4.185 ( 0.000 -4.450 5.711) 7.240 4.261 ( 0.000 3.187 0.698) 3.262 4.364 ( 0.000 -2.272 4.312) 4.874 4.418 ( 0.000 -4.319 -1.399) 4.540 4.565 ( 0.000 -3.169 1.569) 3.536 4.580 ( 0.000 1.723 1.973) 2.620 4.696 ( 0.000 11.107 8.945) 14.261 4.757 ( 0.000 8.541 0.095) 8.542 4.777 ( 0.000 12.486 6.250) 13.963 4.865 ( 0.000 -6.302 -0.342) 6.311 5.009 ( 0.000 -8.864 -4.869) 10.113 5.192 ( 0.000 8.364 -2.485) 8.725 5.198 ( 0.000 -3.579 4.160) 5.488 5.216 ( 0.000 2.845 0.660) 2.920 5.327 ( 0.000 -0.691 9.293) 9.319 5.418 ( 0.000 3.175 -1.308) 3.434 5.418 ( 0.000 -3.034 -8.037) 8.590 5.452 ( 0.000 1.785 3.832) 4.227 5.555 ( 0.000 -0.960 -1.719) 1.969 5.625 ( 0.000 -0.687 6.706) 6.741 5.727 ( 0.000 -3.768 4.363) 5.765 5.733 ( 0.000 -5.058 2.768) 5.766 5.804 ( 0.000 0.582 5.108) 5.141 5.893 ( 0.000 -3.244 4.061) 5.197 5.945 ( 0.000 -0.424 2.103) 2.145 6.123 ( 0.000 -4.794 -2.733) 5.518 6.132 ( 0.000 2.616 -2.209) 3.423 6.164 ( 0.000 -6.939 -1.782) 7.164 6.215 ( 0.000 4.084 0.092) 4.085 6.302 ( 0.000 1.205 1.463) 1.895 6.418 ( 0.000 -1.053 4.401) 4.526 6.425 ( 0.000 1.510 -0.595) 1.623 6.447 ( 0.000 -0.020 0.447) 0.447 6.552 ( 0.000 3.890 7.755) 8.676 6.573 ( 0.000 -2.638 -1.574) 3.072 6.624 ( 0.000 -2.334 1.838) 2.971 6.654 ( 0.000 2.854 -0.930) 3.002 7.008 ( 0.000 -5.199 -4.824) 7.092 7.065 ( 0.000 -8.365 1.881) 8.574 7.116 ( 0.000 0.550 -0.249) 0.604 7.217 ( 0.000 1.218 -0.129) 1.225 7.291 ( 0.000 -1.549 2.559) 2.991 7.453 ( 0.000 -2.566 -5.663) 6.217 7.519 ( 0.000 2.053 -1.826) 2.747 7.576 ( 0.000 2.075 -1.378) 2.491 7.606 ( 0.000 -2.099 0.977) 2.316 7.656 ( 0.000 -4.917 1.943) 5.287 7.671 ( 0.000 -0.063 4.294) 4.294 7.692 ( 0.000 0.670 -0.464) 0.815 7.806 ( 0.000 3.376 0.158) 3.380 7.913 ( 0.000 -1.197 1.321) 1.783 7.975 ( 0.000 -2.129 -1.451) 2.577 8.060 ( 0.000 -4.116 0.922) 4.217 8.112 ( 0.000 8.229 4.139) 9.211 8.121 ( 0.000 -0.880 3.221) 3.339 8.186 ( 0.000 3.845 -6.546) 7.592 8.205 ( 0.000 3.678 -3.416) 5.020 8.396 ( 0.000 -0.150 1.584) 1.591 8.512 ( 0.000 5.442 3.514) 6.478 8.577 ( 0.000 -1.997 -4.328) 4.767 8.580 ( 0.000 7.745 -2.148) 8.037 8.688 ( 0.000 2.637 0.072) 2.638 8.689 ( 0.000 4.921 2.008) 5.315 8.744 ( 0.000 4.469 -4.824) 6.576 8.942 ( 0.000 -1.725 0.187) 1.735 9.035 ( 0.000 -4.040 3.356) 5.252 9.084 ( 0.000 -0.916 -4.515) 4.607 9.164 ( 0.000 -1.421 2.220) 2.635 9.210 ( 0.000 -1.202 5.257) 5.393 9.246 ( 0.000 0.456 5.614) 5.633 9.303 ( 0.000 -0.209 4.824) 4.828 9.305 ( 0.000 3.982 -5.144) 6.505 9.366 ( 0.000 -0.486 0.198) 0.525 9.570 ( 0.000 0.306 1.299) 1.334 9.674 ( 0.000 1.066 -3.111) 3.288 9.675 ( 0.000 5.263 -3.768) 6.473 9.761 ( 0.000 -11.400 -2.004) 11.575 9.833 ( 0.000 -0.459 -1.691) 1.752 9.889 ( 0.000 -10.007 -0.221) 10.009 10.016 ( 0.000 -2.335 -1.589) 2.824 10.144 ( 0.000 6.730 1.609) 6.920 10.161 ( 0.000 0.798 0.789) 1.122 10.200 ( 0.000 1.668 -2.275) 2.821 10.282 ( 0.000 1.241 4.922) 5.076 10.319 ( 0.000 -0.837 2.588) 2.720 10.456 ( 0.000 3.366 -7.310) 8.048 10.469 ( 0.000 3.847 -4.038) 5.577 10.749 ( 0.000 -2.968 -0.421) 2.998 10.792 ( 0.000 -2.773 1.997) 3.418 10.812 ( 0.000 -0.465 3.520) 3.551 10.887 ( 0.000 2.293 1.354) 2.663 10.932 ( 0.000 -2.606 0.611) 2.677 10.988 ( 0.000 -1.301 3.890) 4.101 11.056 ( 0.000 -1.577 0.066) 1.578 11.059 ( 0.000 2.397 0.168) 2.403 11.150 ( 0.000 -0.405 -1.542) 1.595 11.159 ( 0.000 -0.145 0.393) 0.419 11.190 ( 0.000 -1.635 3.676) 4.023 11.250 ( 0.000 0.031 0.254) 0.256 11.363 ( 0.000 -2.037 1.323) 2.429 11.368 ( 0.000 2.447 -2.995) 3.868 11.400 ( 0.000 0.897 -3.117) 3.243 11.412 ( 0.000 0.570 0.975) 1.130 11.428 ( 0.000 0.534 0.821) 0.980 11.508 ( 0.000 -2.233 2.424) 3.296 11.540 ( 0.000 -0.839 -6.027) 6.085 11.566 ( 0.000 2.010 0.830) 2.175 11.645 ( 0.000 -0.413 3.230) 3.256 11.655 ( 0.000 2.890 -0.488) 2.931 11.699 ( 0.000 0.253 4.596) 4.603 11.771 ( 0.000 2.771 -0.243) 2.782 11.830 ( 0.000 -1.584 0.447) 1.645 11.906 ( 0.000 -2.665 -3.437) 4.349 11.940 ( 0.000 -1.440 -5.777) 5.954 12.054 ( 0.000 0.673 -1.126) 1.312 12.115 ( 0.000 -1.949 2.129) 2.886 12.161 ( 0.000 5.336 -3.537) 6.402 12.227 ( 0.000 2.578 0.033) 2.579 12.381 ( 0.000 -2.706 -8.770) 9.178 12.551 ( 0.000 -3.437 -3.928) 5.219 12.600 ( 0.000 -0.090 -3.899) 3.900 12.626 ( 0.000 -1.920 -7.451) 7.694 12.646 ( 0.000 0.367 -4.525) 4.540 12.714 ( 0.000 1.996 -5.219) 5.587 12.774 ( 0.000 -2.167 -0.226) 2.178 12.794 ( 0.000 -0.579 -1.508) 1.615 12.982 ( 0.000 -0.673 -3.244) 3.313 12.984 ( 0.000 0.448 -8.425) 8.437 13.226 ( 0.000 5.920 -1.222) 6.045 13.297 ( 0.000 0.908 2.770) 2.915 13.493 ( 0.000 -1.642 2.401) 2.909 13.708 ( 0.000 -4.000 -3.335) 5.209 ======================= Grid point 31 (14/45) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 15.498 9.214 10.941) 21.090 0.858 ( 10.487 14.766 14.403) 23.140 1.575 ( 17.575 29.474 11.829) 36.298 1.730 ( -1.512 3.755 4.467) 6.028 1.803 ( 0.386 -12.916 2.805) 13.223 1.904 ( -0.716 -4.879 2.258) 5.424 1.986 ( -0.514 -7.540 2.316) 7.904 2.116 ( -10.177 -9.581 2.486) 14.196 2.283 ( -4.325 -11.935 2.959) 13.035 2.745 ( 0.773 4.369 0.313) 4.447 2.795 ( -2.221 7.798 1.704) 8.285 2.837 ( 5.602 0.259 2.663) 6.208 3.009 ( 1.913 2.949 2.255) 4.176 3.033 ( 1.080 2.003 8.720) 9.012 3.291 ( -1.006 -7.840 -2.132) 8.187 3.392 ( 0.046 5.180 -0.730) 5.232 3.456 ( -5.488 0.808 3.505) 6.562 3.616 ( -1.423 -4.640 3.589) 6.036 3.707 ( 1.327 3.749 7.814) 8.768 3.741 ( -1.325 -5.231 -0.850) 5.463 3.824 ( -2.943 -0.624 -1.939) 3.579 3.866 ( -2.247 -0.882 0.224) 2.424 4.049 ( 0.418 5.906 -0.412) 5.935 4.101 ( 1.525 -5.304 2.744) 6.164 4.170 ( 0.606 -3.681 0.846) 3.826 4.271 ( 0.394 -2.674 3.735) 4.611 4.383 ( -0.908 -3.206 -3.212) 4.628 4.493 ( -2.449 -1.126 0.799) 2.811 4.562 ( 8.857 0.201 2.207) 9.130 4.616 ( 2.254 1.094 1.956) 3.179 4.707 ( 1.327 10.931 8.505) 13.913 4.746 ( -1.116 11.347 3.360) 11.886 4.780 ( 0.425 6.450 3.160) 7.195 4.887 ( 2.246 -5.683 -0.946) 6.184 5.049 ( 1.364 -5.500 -3.043) 6.432 5.067 ( -3.533 0.762 0.406) 3.637 5.152 ( -2.970 3.802 -0.240) 4.830 5.255 ( -0.002 -2.442 -0.418) 2.477 5.327 ( -7.394 0.480 -1.349) 7.531 5.382 ( 2.641 3.581 2.245) 4.984 5.422 ( -0.392 -0.014 3.510) 3.532 5.502 ( -0.010 -0.538 -4.393) 4.426 5.535 ( 4.986 -1.745 3.649) 6.420 5.610 ( -2.016 -4.177 8.288) 9.498 5.728 ( -0.775 -2.569 2.355) 3.570 5.754 ( 1.415 -2.313 2.760) 3.869 5.826 ( -1.976 -1.238 3.002) 3.801 5.903 ( -1.568 -2.961 2.649) 4.271 5.945 ( -0.014 -0.877 1.702) 1.914 6.061 ( -1.602 3.688 -1.357) 4.244 6.090 ( -2.209 0.304 -2.032) 3.017 6.152 ( -1.001 2.416 -3.126) 4.076 6.285 ( 2.165 -0.418 3.714) 4.319 6.304 ( -2.481 0.445 2.260) 3.385 6.385 ( 1.227 1.539 0.521) 2.036 6.401 ( 4.427 -7.035 0.115) 8.312 6.463 ( 1.783 0.992 2.057) 2.898 6.501 ( 1.296 -0.482 3.775) 4.020 6.573 ( -0.848 -3.972 -1.665) 4.390 6.626 ( 1.851 0.495 3.814) 4.268 6.882 ( -6.813 -2.035 -1.657) 7.301 6.895 ( 5.918 0.252 0.963) 6.001 7.015 ( -4.862 -3.281 0.594) 5.895 7.081 ( 1.501 -3.249 0.171) 3.583 7.212 ( -2.262 -3.444 4.708) 6.256 7.373 ( -2.626 -2.758 -4.431) 5.843 7.409 ( 4.534 -2.969 -3.029) 6.208 7.483 ( -2.028 -0.359 -2.459) 3.208 7.555 ( -0.975 0.046 -1.401) 1.708 7.573 ( -1.744 4.248 0.067) 4.593 7.621 ( -1.487 -1.196 4.417) 4.812 7.694 ( 1.212 -2.805 2.068) 3.689 7.790 ( 3.610 1.538 -0.022) 3.924 7.822 ( -1.370 1.765 1.737) 2.830 7.956 ( 2.068 3.872 0.244) 4.396 7.986 ( 6.854 -2.668 -1.641) 7.536 8.078 ( 0.605 -0.389 2.189) 2.304 8.091 ( -4.745 5.818 -4.231) 8.618 8.129 ( 0.975 1.247 0.913) 1.828 8.181 ( 4.481 -1.256 2.772) 5.417 8.253 ( 2.896 2.699 -2.443) 4.652 8.380 ( -1.866 -1.403 1.634) 2.850 8.475 ( -5.178 5.514 0.686) 7.595 8.522 ( -2.316 6.284 -2.800) 7.259 8.586 ( 0.393 2.271 -0.265) 2.320 8.662 ( -3.711 1.378 -2.251) 4.554 8.670 ( -2.008 1.482 0.140) 2.500 8.725 ( -1.403 3.984 -0.018) 4.224 8.897 ( -4.018 -0.486 0.988) 4.166 8.936 ( -5.864 -2.238 0.485) 6.295 9.122 ( 3.324 0.026 -3.567) 4.876 9.205 ( 2.246 0.520 2.949) 3.743 9.230 ( 2.197 -0.946 3.255) 4.040 9.271 ( 1.022 2.140 2.904) 3.749 9.315 ( 1.560 0.721 5.784) 6.034 9.354 ( 3.409 0.415 -4.154) 5.390 9.379 ( 1.053 -1.609 0.307) 1.947 9.576 ( 0.328 0.759 0.671) 1.065 9.638 ( -2.780 1.526 -3.746) 4.908 9.668 ( -0.767 2.821 -3.343) 4.441 9.785 ( 2.027 -9.457 -2.103) 9.897 9.840 ( 0.460 -0.927 -1.848) 2.118 9.888 ( -0.295 -7.707 -0.546) 7.732 9.966 ( -3.739 -1.645 -0.778) 4.158 10.165 ( 1.185 0.803 0.294) 1.462 10.180 ( 2.092 2.456 1.309) 3.482 10.243 ( 3.941 3.070 -0.892) 5.074 10.325 ( 0.617 -0.920 1.328) 1.730 10.358 ( 5.832 1.102 4.468) 7.429 10.477 ( 2.322 3.097 -6.882) 7.896 10.496 ( 2.839 2.814 -4.233) 5.822 10.706 ( -3.502 -2.383 -1.376) 4.453 10.761 ( -2.245 -0.354 2.880) 3.669 10.843 ( 1.421 -2.517 2.285) 3.685 10.889 ( -0.183 1.864 0.879) 2.069 10.923 ( -0.902 -2.008 1.315) 2.564 10.950 ( -3.312 -1.071 3.321) 4.811 11.028 ( -2.011 1.769 0.179) 2.684 11.054 ( -0.577 -0.363 -0.056) 0.684 11.151 ( -0.990 -0.970 -0.631) 1.523 11.179 ( 1.136 -0.148 -0.343) 1.196 11.223 ( 2.383 -2.476 0.827) 3.535 11.252 ( 2.024 -0.817 -0.051) 2.183 11.319 ( -2.598 0.719 -1.002) 2.876 11.362 ( -1.279 -0.320 -0.745) 1.515 11.389 ( 0.013 0.682 -0.644) 0.938 11.416 ( -0.921 0.768 0.860) 1.476 11.455 ( 0.760 1.223 -0.194) 1.453 11.485 ( 1.270 -1.841 0.385) 2.270 11.552 ( 0.360 0.953 0.759) 1.270 11.586 ( 1.291 1.634 1.595) 2.623 11.643 ( -0.568 -0.486 2.929) 3.023 11.684 ( -0.752 0.514 2.625) 2.779 11.688 ( 2.348 2.943 -0.518) 3.800 11.786 ( 0.537 1.485 0.072) 1.581 11.809 ( -0.108 -1.635 1.359) 2.129 11.892 ( -2.114 -1.454 -1.313) 2.882 11.928 ( -1.296 0.359 -4.839) 5.022 12.016 ( -2.167 -1.606 0.346) 2.719 12.094 ( -1.689 -0.684 -1.123) 2.140 12.173 ( 0.397 3.618 -2.198) 4.252 12.206 ( -1.889 3.076 -0.245) 3.618 12.379 ( 0.526 -1.859 -8.103) 8.330 12.538 ( -1.941 -3.592 -3.042) 5.092 12.583 ( -0.338 -0.248 -5.043) 5.060 12.610 ( -0.486 -0.159 -6.857) 6.876 12.670 ( 0.758 -0.687 -4.853) 4.960 12.732 ( 1.217 0.879 -5.194) 5.407 12.763 ( -0.328 -1.701 -2.711) 3.218 12.812 ( 1.630 -0.393 -1.065) 1.986 12.933 ( -3.331 1.103 -7.059) 7.883 12.973 ( -1.893 -0.224 -4.786) 5.152 13.257 ( 2.436 5.055 -0.247) 5.616 13.315 ( 1.337 1.435 2.432) 3.124 13.511 ( 1.968 -2.050 1.541) 3.233 13.691 ( -1.630 -3.862 -2.963) 5.134 ======================= Grid point 32 (15/45) ======================= q-point: ( 0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 16.118 6.772 8.217) 19.317 1.157 ( 20.924 -0.544 8.041) 22.422 1.471 ( -12.435 5.669 5.860) 14.869 1.632 ( -18.671 -8.112 3.006) 20.578 1.904 ( 3.017 -9.223 3.838) 10.436 1.949 ( -0.536 -6.745 2.127) 7.093 2.004 ( 4.096 -3.920 3.236) 6.528 2.077 ( 2.474 -2.660 7.177) 8.044 2.237 ( 10.691 6.497 3.988) 13.131 2.581 ( -14.782 15.562 0.777) 21.477 2.873 ( 5.048 3.945 6.930) 9.437 2.935 ( 0.458 2.459 8.124) 8.500 3.057 ( 5.973 0.577 2.225) 6.400 3.079 ( 3.150 0.937 -0.575) 3.337 3.231 ( -2.832 -0.077 -1.456) 3.186 3.316 ( -8.263 1.245 1.216) 8.444 3.470 ( 5.702 0.878 0.270) 5.776 3.557 ( -3.515 -2.415 0.673) 4.318 3.708 ( -1.357 -3.375 -0.237) 3.646 3.740 ( -0.263 -0.931 3.599) 3.727 3.757 ( -2.288 -0.891 2.840) 3.754 3.784 ( -2.583 0.705 4.663) 5.377 4.105 ( 2.396 -5.800 2.722) 6.841 4.149 ( -1.822 -7.785 3.092) 8.572 4.180 ( 6.479 3.940 -1.018) 7.650 4.313 ( -2.083 -0.359 -0.597) 2.197 4.324 ( 0.169 -0.922 -0.557) 1.090 4.404 ( -4.563 -1.818 1.430) 5.115 4.648 ( 2.160 1.299 2.005) 3.221 4.679 ( -0.295 5.035 3.412) 6.089 4.719 ( 0.301 9.990 5.005) 11.178 4.755 ( -1.771 8.535 3.605) 9.432 4.872 ( 12.202 2.955 1.134) 12.606 4.946 ( 3.356 -4.544 -1.516) 5.848 5.021 ( -2.905 -3.385 0.261) 4.468 5.073 ( 2.463 1.689 -1.189) 3.214 5.103 ( -5.559 1.049 -0.889) 5.726 5.149 ( -6.876 2.093 -0.318) 7.195 5.294 ( 5.043 -3.502 -1.619) 6.349 5.431 ( -0.766 0.353 -0.655) 1.068 5.434 ( -1.475 -5.200 4.549) 7.065 5.482 ( -1.099 -4.091 3.818) 5.702 5.542 ( 1.395 0.633 4.211) 4.481 5.621 ( -0.185 2.377 0.496) 2.435 5.654 ( -5.928 0.772 -0.711) 6.020 5.681 ( -3.900 -4.006 -1.303) 5.740 5.794 ( 2.481 -0.596 2.127) 3.322 5.852 ( -3.121 -0.796 2.794) 4.264 6.022 ( 5.058 0.323 0.882) 5.145 6.088 ( -0.226 1.547 0.475) 1.634 6.120 ( 6.060 1.136 3.284) 6.986 6.142 ( 1.623 1.303 0.318) 2.105 6.229 ( -4.505 -1.224 1.585) 4.930 6.272 ( -5.395 -1.630 2.758) 6.274 6.417 ( 2.399 3.501 0.288) 4.254 6.450 ( 1.244 -0.492 -1.049) 1.700 6.508 ( -0.119 -0.856 -0.623) 1.065 6.537 ( -2.161 -4.923 -1.921) 5.710 6.658 ( 7.708 -4.733 4.988) 10.329 6.679 ( 6.304 -2.806 5.486) 8.816 6.801 ( 3.028 0.825 0.805) 3.240 6.888 ( -5.571 -3.579 1.214) 6.732 6.910 ( -5.452 -2.977 1.013) 6.294 7.001 ( -9.344 -8.396 1.809) 12.692 7.257 ( 7.033 2.414 1.306) 7.550 7.384 ( -1.647 0.454 -3.656) 4.035 7.447 ( 1.644 -0.669 -3.696) 4.100 7.475 ( 0.695 -5.231 -1.831) 5.586 7.547 ( 0.337 0.926 -0.242) 1.015 7.563 ( 0.054 -2.420 2.635) 3.578 7.571 ( -0.748 -2.885 -0.171) 2.985 7.662 ( -6.235 1.511 -0.373) 6.427 7.783 ( 4.358 -0.250 4.037) 5.946 7.884 ( -2.419 5.103 4.397) 7.157 7.970 ( 0.765 6.170 -0.392) 6.230 7.989 ( -1.459 6.423 -0.082) 6.588 8.096 ( 2.827 6.361 0.147) 6.963 8.129 ( 3.481 -0.990 -1.921) 4.097 8.250 ( 6.976 -1.152 -2.679) 7.561 8.259 ( 3.150 -1.513 1.420) 3.772 8.307 ( 1.035 -1.036 0.904) 1.721 8.317 ( -2.230 -2.647 -0.821) 3.557 8.358 ( -3.672 0.469 2.005) 4.210 8.479 ( -8.053 2.348 0.711) 8.418 8.526 ( 1.285 4.270 -4.925) 6.644 8.613 ( -4.898 1.565 -1.821) 5.454 8.640 ( 1.608 2.506 1.173) 3.200 8.679 ( -2.258 2.523 3.071) 4.571 8.831 ( -0.807 2.091 -0.404) 2.278 8.856 ( -2.743 0.932 -1.042) 3.079 9.190 ( 2.785 2.965 -0.934) 4.174 9.225 ( -0.542 4.004 1.538) 4.323 9.273 ( 2.385 -3.622 1.252) 4.514 9.300 ( 0.562 -0.340 2.099) 2.199 9.344 ( 1.212 0.249 5.260) 5.404 9.369 ( -0.907 -3.759 2.686) 4.709 9.445 ( 4.546 2.564 -5.395) 7.506 9.538 ( -4.213 3.047 -4.557) 6.913 9.619 ( 1.171 -0.521 -0.907) 1.571 9.647 ( -1.292 0.565 -2.180) 2.596 9.833 ( 2.613 -5.755 -1.433) 6.481 9.851 ( 0.797 -2.011 -2.319) 3.171 9.871 ( -1.244 -3.185 -1.490) 3.730 9.893 ( -3.191 -4.036 -0.837) 5.213 10.203 ( 2.033 0.026 0.807) 2.188 10.218 ( 0.992 0.374 0.959) 1.429 10.302 ( 1.549 2.401 -0.991) 3.024 10.324 ( -0.725 1.569 0.228) 1.743 10.488 ( 6.276 -0.105 0.798) 6.328 10.545 ( 3.143 1.358 -3.338) 4.782 10.585 ( 4.441 0.304 -3.013) 5.375 10.624 ( -3.896 -1.533 -1.166) 4.346 10.712 ( -0.971 1.096 1.807) 2.326 10.806 ( -7.024 -0.956 1.831) 7.321 10.867 ( 0.844 -2.306 1.586) 2.923 10.892 ( -1.455 -1.034 0.161) 1.793 10.937 ( 1.458 2.031 0.550) 2.560 10.980 ( -2.545 2.480 0.170) 3.558 11.061 ( 1.467 -0.962 -0.659) 1.874 11.105 ( -2.675 -0.973 -0.925) 2.993 11.214 ( 1.974 0.158 -1.612) 2.553 11.245 ( -0.419 -0.735 -0.586) 1.029 11.289 ( 0.046 -1.169 0.437) 1.249 11.308 ( 0.458 -2.767 1.061) 2.999 11.338 ( 0.793 1.164 -0.276) 1.435 11.379 ( -1.585 0.902 0.780) 1.984 11.411 ( 1.689 0.449 0.303) 1.773 11.451 ( -1.205 -0.185 0.139) 1.227 11.537 ( 2.389 -0.998 3.513) 4.364 11.560 ( 0.133 0.477 3.095) 3.134 11.628 ( 3.303 2.659 3.151) 5.283 11.634 ( -0.220 -1.052 0.859) 1.376 11.653 ( -1.524 1.271 -0.384) 2.022 11.720 ( -2.573 0.902 2.794) 3.904 11.758 ( 0.577 1.426 2.594) 3.016 11.817 ( -3.482 1.299 2.033) 4.236 11.858 ( 2.717 0.740 -3.630) 4.594 11.901 ( -1.318 0.464 -3.192) 3.484 12.015 ( 1.548 -3.743 -0.840) 4.136 12.055 ( -2.090 -1.839 -1.134) 3.006 12.166 ( -0.704 3.080 -1.603) 3.543 12.169 ( -1.208 4.086 -1.014) 4.380 12.414 ( 2.867 -2.515 -6.197) 7.277 12.481 ( -3.356 -3.291 -3.417) 5.811 12.589 ( 0.616 0.249 -4.881) 4.926 12.602 ( -0.501 0.845 -5.328) 5.418 12.686 ( 1.386 -2.642 -7.753) 8.307 12.722 ( -1.728 -3.082 -6.513) 7.409 12.796 ( 2.933 1.891 -4.891) 6.008 12.857 ( 1.159 0.396 -2.621) 2.893 12.864 ( -1.762 1.571 -6.067) 6.510 12.920 ( -3.034 -0.145 -3.561) 4.681 13.303 ( 1.906 3.825 1.203) 4.440 13.328 ( -0.345 2.623 2.030) 3.335 13.571 ( 3.656 -2.850 -0.386) 4.651 13.643 ( -3.131 -3.461 -1.950) 5.058 ======================= Grid point 35 (16/45) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.000 20.500 5.683) 21.273 1.262 ( 0.000 23.585 5.433) 24.202 1.412 ( 0.000 -18.793 4.737) 19.381 1.705 ( 0.000 -14.570 1.827) 14.684 1.879 ( 0.000 2.749 3.261) 4.266 1.929 ( 0.000 7.126 6.661) 9.754 1.958 ( 0.000 -2.428 2.642) 3.588 2.010 ( 0.000 -8.008 2.809) 8.486 2.234 ( 0.000 24.001 6.627) 24.899 2.667 ( 0.000 -2.446 2.539) 3.526 2.672 ( 0.000 -3.711 2.935) 4.731 2.869 ( 0.000 -26.972 2.698) 27.107 3.033 ( 0.000 4.108 -1.473) 4.364 3.041 ( 0.000 2.395 -0.570) 2.462 3.223 ( 0.000 12.449 8.580) 15.119 3.475 ( 0.000 -8.397 4.982) 9.764 3.484 ( 0.000 3.165 -0.961) 3.307 3.555 ( 0.000 -5.750 -0.711) 5.793 3.661 ( 0.000 4.552 4.451) 6.367 3.760 ( 0.000 -3.357 2.652) 4.278 3.863 ( 0.000 5.827 6.264) 8.556 3.918 ( 0.000 1.018 -0.440) 1.109 3.989 ( 0.000 -3.135 2.915) 4.281 4.036 ( 0.000 -7.208 8.504) 11.148 4.189 ( 0.000 5.559 -6.158) 8.295 4.308 ( 0.000 -5.394 -4.762) 7.196 4.388 ( 0.000 2.777 2.383) 3.659 4.422 ( 0.000 4.597 -2.447) 5.208 4.507 ( 0.000 2.670 1.763) 3.199 4.618 ( 0.000 0.631 -1.339) 1.481 4.747 ( 0.000 -3.486 1.845) 3.945 4.788 ( 0.000 -10.275 -0.384) 10.283 4.900 ( 0.000 8.043 3.296) 8.693 4.993 ( 0.000 4.225 3.850) 5.716 4.993 ( 0.000 11.656 6.255) 13.229 5.127 ( 0.000 -1.549 5.619) 5.829 5.247 ( 0.000 -5.550 4.612) 7.216 5.257 ( 0.000 -0.912 -1.266) 1.560 5.354 ( 0.000 6.212 -3.171) 6.975 5.388 ( 0.000 -0.451 -1.497) 1.563 5.413 ( 0.000 -2.423 6.966) 7.376 5.478 ( 0.000 -5.131 -0.088) 5.132 5.529 ( 0.000 6.758 -0.464) 6.774 5.646 ( 0.000 -3.996 2.043) 4.488 5.668 ( 0.000 3.479 2.430) 4.244 5.684 ( 0.000 1.798 2.953) 3.458 5.779 ( 0.000 -6.364 2.311) 6.771 5.822 ( 0.000 -10.627 -0.153) 10.628 5.853 ( 0.000 4.372 5.443) 6.982 5.965 ( 0.000 -6.099 1.918) 6.393 6.142 ( 0.000 1.412 -0.039) 1.412 6.163 ( 0.000 0.068 0.070) 0.098 6.291 ( 0.000 3.500 -4.040) 5.346 6.341 ( 0.000 1.831 0.516) 1.903 6.377 ( 0.000 -2.632 -1.043) 2.831 6.409 ( 0.000 -2.498 0.811) 2.627 6.504 ( 0.000 4.825 -1.366) 5.015 6.563 ( 0.000 2.048 -0.707) 2.167 6.597 ( 0.000 -1.656 0.134) 1.661 6.611 ( 0.000 0.866 3.027) 3.149 6.758 ( 0.000 4.165 -0.358) 4.180 6.849 ( 0.000 -7.042 -3.648) 7.930 6.953 ( 0.000 1.496 6.019) 6.202 7.111 ( 0.000 -7.817 6.447) 10.133 7.195 ( 0.000 0.474 3.425) 3.458 7.233 ( 0.000 -0.441 -1.043) 1.133 7.404 ( 0.000 -1.868 -3.084) 3.605 7.430 ( 0.000 -5.619 1.479) 5.810 7.609 ( 0.000 1.109 -0.357) 1.165 7.609 ( 0.000 -0.732 2.002) 2.132 7.636 ( 0.000 2.907 0.714) 2.993 7.697 ( 0.000 0.832 -1.593) 1.797 7.763 ( 0.000 3.978 -1.582) 4.281 7.837 ( 0.000 -1.852 0.018) 1.852 7.889 ( 0.000 1.665 -0.143) 1.671 7.975 ( 0.000 -4.313 1.793) 4.671 7.997 ( 0.000 4.043 1.760) 4.409 8.082 ( 0.000 -3.420 2.321) 4.134 8.244 ( 0.000 4.115 0.816) 4.195 8.268 ( 0.000 1.433 -4.512) 4.734 8.271 ( 0.000 4.182 -2.121) 4.689 8.358 ( 0.000 -3.551 3.894) 5.270 8.565 ( 0.000 0.867 -8.255) 8.300 8.601 ( 0.000 -1.847 -9.096) 9.282 8.659 ( 0.000 7.269 0.842) 7.318 8.735 ( 0.000 0.894 0.425) 0.990 8.841 ( 0.000 4.258 0.850) 4.342 8.877 ( 0.000 5.449 4.028) 6.776 8.888 ( 0.000 -3.411 0.536) 3.453 9.001 ( 0.000 -5.836 2.466) 6.335 9.034 ( 0.000 8.279 0.273) 8.284 9.179 ( 0.000 2.041 3.645) 4.178 9.193 ( 0.000 -1.726 5.653) 5.911 9.264 ( 0.000 -5.573 0.698) 5.616 9.281 ( 0.000 2.590 5.173) 5.785 9.338 ( 0.000 -3.078 -0.676) 3.151 9.419 ( 0.000 7.826 -5.666) 9.662 9.558 ( 0.000 -4.684 1.150) 4.823 9.567 ( 0.000 -0.564 0.046) 0.566 9.650 ( 0.000 -10.425 -3.812) 11.101 9.722 ( 0.000 1.610 -2.692) 3.137 9.762 ( 0.000 0.759 -3.352) 3.437 9.828 ( 0.000 2.274 -2.783) 3.594 9.929 ( 0.000 -5.468 -3.285) 6.379 10.176 ( 0.000 0.895 0.063) 0.897 10.198 ( 0.000 -0.975 -1.675) 1.938 10.271 ( 0.000 3.003 5.511) 6.276 10.307 ( 0.000 -0.985 4.955) 5.052 10.382 ( 0.000 9.806 -0.198) 9.808 10.525 ( 0.000 2.369 -8.253) 8.586 10.530 ( 0.000 1.635 -5.959) 6.179 10.603 ( 0.000 -9.933 -1.691) 10.076 10.784 ( 0.000 1.251 3.143) 3.383 10.807 ( 0.000 -0.292 2.638) 2.654 10.888 ( 0.000 -0.557 5.220) 5.250 10.931 ( 0.000 -3.663 4.909) 6.125 10.949 ( 0.000 3.346 1.611) 3.714 11.015 ( 0.000 -2.641 1.405) 2.991 11.106 ( 0.000 2.005 0.204) 2.016 11.136 ( 0.000 -0.920 0.130) 0.930 11.157 ( 0.000 0.033 0.309) 0.311 11.165 ( 0.000 -0.767 1.467) 1.656 11.268 ( 0.000 1.706 0.710) 1.848 11.314 ( 0.000 -2.529 1.128) 2.769 11.396 ( 0.000 1.639 -0.554) 1.730 11.420 ( 0.000 -0.159 0.388) 0.420 11.439 ( 0.000 0.684 0.588) 0.903 11.453 ( 0.000 1.473 -2.836) 3.196 11.471 ( 0.000 -0.430 -0.161) 0.460 11.509 ( 0.000 -2.098 -4.837) 5.273 11.624 ( 0.000 2.504 -0.064) 2.505 11.643 ( 0.000 0.108 2.012) 2.015 11.706 ( 0.000 1.675 0.484) 1.744 11.707 ( 0.000 0.538 3.928) 3.965 11.770 ( 0.000 -0.639 1.166) 1.329 11.826 ( 0.000 -4.471 -3.283) 5.547 11.849 ( 0.000 2.700 -0.866) 2.835 11.903 ( 0.000 -2.288 -2.245) 3.206 12.070 ( 0.000 0.786 -1.204) 1.438 12.087 ( 0.000 -0.943 -0.039) 0.944 12.274 ( 0.000 1.921 -3.133) 3.674 12.278 ( 0.000 4.131 -5.662) 7.009 12.347 ( 0.000 0.668 -3.604) 3.665 12.448 ( 0.000 -6.123 -2.979) 6.809 12.593 ( 0.000 -0.230 -5.983) 5.987 12.598 ( 0.000 -0.787 -7.508) 7.549 12.675 ( 0.000 2.062 -2.921) 3.576 12.722 ( 0.000 -2.335 -1.483) 2.766 12.754 ( 0.000 1.394 -4.697) 4.899 12.778 ( 0.000 -0.912 -3.564) 3.679 12.979 ( 0.000 0.292 -3.747) 3.759 12.986 ( 0.000 -0.217 -5.852) 5.856 13.325 ( 0.000 1.648 1.484) 2.218 13.334 ( 0.000 2.485 -1.780) 3.057 13.483 ( 0.000 2.545 1.813) 3.125 13.595 ( 0.000 -6.430 -1.925) 6.712 ======================= Grid point 36 (17/45) ======================= q-point: ( 0.20 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 7.067 18.372 4.513) 20.195 1.245 ( 1.284 20.712 9.167) 22.686 1.453 ( 4.010 -17.366 4.274) 18.328 1.687 ( -1.245 -17.454 3.779) 17.902 1.817 ( -8.333 1.989 2.964) 9.066 1.859 ( -5.749 2.899 4.465) 7.835 1.921 ( -6.340 -7.728 2.963) 10.426 1.977 ( -1.599 -5.643 5.530) 8.061 2.364 ( 12.768 29.112 5.463) 32.255 2.733 ( 7.842 0.187 2.968) 8.387 2.791 ( 8.528 -3.817 1.127) 9.411 2.940 ( 5.615 -19.195 -0.263) 20.001 3.004 ( -0.665 5.091 0.253) 5.140 3.074 ( 1.992 -1.987 0.014) 2.814 3.195 ( -3.641 11.690 7.993) 14.622 3.408 ( -6.015 -7.154 4.120) 10.214 3.482 ( 0.172 3.347 -0.866) 3.461 3.567 ( 0.564 -3.345 0.042) 3.392 3.644 ( -0.929 1.727 3.243) 3.790 3.740 ( -2.303 -4.334 1.352) 5.091 3.840 ( -2.132 5.484 4.883) 7.647 3.884 ( -2.415 2.039 2.001) 3.741 3.970 ( -2.124 -4.849 5.140) 7.378 4.016 ( -1.274 -6.934 7.695) 10.436 4.207 ( 1.677 5.680 -4.112) 7.210 4.305 ( -0.122 -3.278 -3.034) 4.468 4.348 ( -0.117 4.866 -0.720) 4.921 4.444 ( -1.352 -3.650 0.552) 3.932 4.615 ( 7.666 4.547 -1.300) 9.007 4.650 ( 3.709 2.080 -0.613) 4.296 4.768 ( 2.530 -2.727 1.656) 4.072 4.848 ( 4.662 -8.089 -0.490) 9.349 4.899 ( -0.173 5.349 2.422) 5.874 4.939 ( -3.255 4.278 1.771) 5.660 4.983 ( -1.665 9.470 7.185) 12.003 5.124 ( -0.403 0.332 5.277) 5.303 5.179 ( -4.693 -0.659 1.517) 4.976 5.252 ( 0.692 3.180 2.430) 4.062 5.295 ( -3.860 -4.715 -3.059) 6.819 5.375 ( -4.308 -2.392 0.781) 4.989 5.417 ( 0.268 -1.025 4.252) 4.382 5.472 ( -3.319 -1.295 0.022) 3.563 5.526 ( 0.611 1.973 2.164) 2.991 5.567 ( -0.994 -1.389 1.376) 2.194 5.693 ( 0.142 0.368 3.574) 3.596 5.717 ( 2.915 -1.287 2.863) 4.284 5.766 ( -2.871 -2.233 1.209) 3.833 5.843 ( 0.552 -7.080 0.866) 7.154 5.931 ( 6.093 5.480 1.759) 8.381 6.055 ( 6.019 -4.442 -2.136) 7.780 6.134 ( 0.290 3.504 0.553) 3.559 6.206 ( 2.958 -1.075 0.186) 3.153 6.262 ( -1.916 0.189 -2.006) 2.780 6.309 ( -3.690 2.052 2.717) 5.021 6.321 ( -5.001 -1.509 -0.556) 5.253 6.379 ( -1.112 -3.574 0.864) 3.841 6.454 ( 0.240 2.926 -0.382) 2.961 6.533 ( -0.950 -1.599 -0.889) 2.061 6.576 ( 0.025 4.018 -0.360) 4.034 6.632 ( 1.857 -0.104 1.789) 2.580 6.830 ( -1.278 -1.678 -0.718) 2.228 6.864 ( -0.590 -4.755 0.992) 4.893 6.937 ( -0.592 2.704 5.910) 6.526 7.047 ( -7.837 -5.967 7.031) 12.102 7.169 ( 3.881 2.751 0.878) 4.838 7.265 ( 1.788 -5.528 -1.648) 6.039 7.379 ( -0.150 0.122 -2.087) 2.096 7.426 ( 0.052 -4.183 -0.967) 4.294 7.561 ( -3.388 0.636 1.046) 3.603 7.574 ( -3.200 -0.159 1.201) 3.421 7.663 ( -0.234 2.069 0.444) 2.129 7.722 ( 1.118 -0.214 -0.037) 1.139 7.820 ( -1.178 4.248 -1.101) 4.544 7.882 ( 6.795 3.784 0.583) 7.800 7.928 ( 5.883 -2.779 -1.291) 6.634 7.990 ( 4.412 -4.181 2.173) 6.456 8.054 ( 4.290 3.727 2.385) 6.163 8.129 ( 3.710 -3.208 2.380) 5.452 8.204 ( -3.808 4.376 -2.666) 6.384 8.225 ( -1.925 3.860 0.260) 4.321 8.283 ( -1.091 -0.019 -2.847) 3.049 8.325 ( -3.122 -3.699 2.568) 5.480 8.557 ( -1.338 3.120 -5.290) 6.285 8.607 ( -2.077 1.294 -4.891) 5.469 8.629 ( -1.872 0.825 -1.759) 2.699 8.675 ( -4.412 0.793 0.086) 4.483 8.742 ( -6.038 3.184 1.779) 7.054 8.798 ( -4.986 0.069 2.730) 5.685 8.915 ( 1.219 3.424 0.792) 3.720 8.997 ( -1.326 7.194 -1.280) 7.426 9.046 ( 2.606 -3.309 -0.275) 4.221 9.225 ( 1.088 -5.598 2.993) 6.440 9.236 ( 2.561 1.711 4.744) 5.656 9.271 ( 2.386 -0.662 0.900) 2.634 9.321 ( 2.523 0.995 5.747) 6.355 9.340 ( 0.240 -0.581 1.484) 1.612 9.445 ( 2.716 6.915 -6.807) 10.076 9.574 ( 1.118 -1.913 -0.257) 2.231 9.599 ( 3.135 -4.046 0.353) 5.131 9.659 ( 0.757 -7.067 -4.173) 8.242 9.696 ( -2.326 2.521 -3.473) 4.881 9.758 ( -0.245 -1.136 -3.282) 3.482 9.818 ( -1.095 0.363 -2.145) 2.435 9.895 ( -3.154 -4.740 -2.319) 6.147 10.190 ( 1.639 1.732 0.159) 2.390 10.219 ( 1.826 -0.223 -0.643) 1.948 10.295 ( 1.790 1.571 4.674) 5.246 10.313 ( 0.810 -0.362 4.062) 4.158 10.434 ( 4.172 6.847 -0.377) 8.027 10.533 ( 0.978 1.370 -7.570) 7.755 10.545 ( 1.430 1.612 -6.176) 6.541 10.610 ( 0.464 -6.953 -2.120) 7.283 10.765 ( -1.731 1.101 3.414) 3.983 10.794 ( -0.990 -1.683 2.351) 3.056 10.887 ( -0.810 -0.756 5.519) 5.629 10.902 ( -2.614 -1.505 3.949) 4.969 10.958 ( 0.858 2.627 0.948) 2.922 11.014 ( 0.091 -2.232 0.637) 2.323 11.086 ( -1.891 2.103 -0.246) 2.839 11.124 ( -1.423 -1.636 -0.112) 2.171 11.176 ( 1.810 0.175 -0.073) 1.820 11.188 ( 1.868 -1.019 0.390) 2.163 11.254 ( -0.451 1.236 1.019) 1.664 11.294 ( -1.562 -2.118 1.043) 2.831 11.386 ( -0.895 1.681 -0.909) 2.110 11.411 ( -0.606 0.415 -1.144) 1.359 11.428 ( -1.712 0.036 0.076) 1.714 11.439 ( 0.845 -0.994 0.123) 1.311 11.494 ( 1.716 2.017 1.306) 2.952 11.544 ( 1.646 -2.069 -0.030) 2.644 11.622 ( -0.231 1.939 1.248) 2.317 11.653 ( 0.679 -0.334 -0.288) 0.810 11.698 ( -0.113 2.551 3.201) 4.095 11.739 ( 2.518 0.684 0.842) 2.742 11.766 ( -0.692 -0.043 0.536) 0.876 11.828 ( -0.039 -3.887 -2.976) 4.896 11.843 ( 0.446 2.298 -0.062) 2.342 11.897 ( -0.178 -2.521 -2.015) 3.232 12.028 ( -3.607 1.820 -0.448) 4.065 12.066 ( -2.166 -1.722 -1.198) 3.015 12.255 ( -1.009 3.330 -3.570) 4.985 12.284 ( -0.016 3.266 -3.836) 5.038 12.342 ( -0.619 -0.194 -3.066) 3.134 12.436 ( -1.517 -5.909 -1.966) 6.410 12.584 ( -0.076 0.302 -7.150) 7.157 12.595 ( 0.265 -0.799 -8.241) 8.284 12.675 ( -0.666 1.040 -3.759) 3.957 12.706 ( -1.435 -1.831 -3.936) 4.572 12.775 ( 2.029 1.324 -4.164) 4.818 12.798 ( 1.937 -0.902 -2.851) 3.563 12.952 ( -2.356 0.790 -4.548) 5.183 12.966 ( -2.030 -0.518 -4.905) 5.334 13.349 ( 2.086 2.654 0.937) 3.503 13.370 ( 2.937 2.496 -1.193) 4.035 13.481 ( -0.076 1.204 1.691) 2.078 13.583 ( -1.241 -6.200 -1.718) 6.553 ======================= Grid point 37 (18/45) ======================= q-point: ( 0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 13.043 11.503 4.744) 18.026 1.353 ( 8.049 11.870 7.672) 16.265 1.518 ( -2.521 -4.734 3.777) 6.560 1.598 ( -11.634 -1.244 6.034) 13.165 1.675 ( -0.256 -3.215 3.912) 5.070 1.737 ( -0.748 -8.713 6.539) 10.919 1.805 ( -4.483 -9.496 4.784) 11.540 1.869 ( -7.210 -11.329 7.261) 15.266 2.669 ( 15.184 23.096 0.930) 27.656 2.905 ( -3.202 10.244 -1.160) 10.795 2.931 ( 7.097 3.481 2.555) 8.307 3.003 ( 6.198 1.948 2.606) 7.000 3.034 ( 0.673 -5.651 -0.674) 5.731 3.096 ( -1.186 2.289 3.179) 4.093 3.133 ( 1.255 -6.748 2.152) 7.193 3.246 ( -9.351 -7.809 2.645) 12.467 3.518 ( 3.520 3.745 -0.258) 5.146 3.570 ( -0.391 1.980 1.819) 2.717 3.627 ( -0.722 -3.489 -0.092) 3.565 3.668 ( -4.272 -4.068 0.323) 5.908 3.808 ( -0.283 4.424 5.767) 7.274 3.833 ( -2.369 4.972 6.358) 8.412 3.942 ( 0.247 -7.860 6.143) 9.979 3.976 ( -2.511 -8.084 6.445) 10.639 4.276 ( 4.914 3.534 -1.122) 6.156 4.315 ( 1.074 -0.508 -2.353) 2.636 4.344 ( -0.865 2.328 -1.216) 2.765 4.385 ( -4.241 -1.093 0.188) 4.384 4.699 ( 3.433 3.889 0.666) 5.230 4.751 ( 0.471 3.428 -0.568) 3.507 4.816 ( 1.897 -4.308 0.683) 4.756 4.872 ( -2.096 -3.366 -0.037) 3.966 4.916 ( 3.992 5.617 1.316) 7.015 4.961 ( 0.879 4.273 0.665) 4.413 4.987 ( 4.530 4.065 2.485) 6.574 5.092 ( -4.053 -2.412 -0.856) 4.794 5.130 ( 2.569 3.721 5.269) 6.943 5.213 ( -3.507 1.337 1.192) 3.938 5.264 ( -0.929 -0.712 -0.627) 1.328 5.304 ( -4.350 -5.980 4.532) 8.673 5.372 ( -0.556 0.080 3.372) 3.418 5.421 ( -1.305 -0.136 3.537) 3.772 5.507 ( -2.199 -5.725 0.348) 6.143 5.538 ( -2.931 -7.203 1.891) 8.004 5.692 ( 1.418 4.695 -0.350) 4.917 5.720 ( -0.597 3.660 1.283) 3.924 5.778 ( 1.787 -1.361 0.624) 2.332 5.819 ( -2.436 -3.193 1.970) 4.473 6.062 ( 6.427 3.694 -1.600) 7.584 6.105 ( 2.527 0.482 -0.003) 2.573 6.169 ( -3.489 2.599 -1.419) 4.576 6.192 ( 2.567 2.883 0.772) 3.936 6.215 ( -5.262 -2.083 0.818) 5.719 6.242 ( -2.416 3.420 2.039) 4.657 6.332 ( 3.990 -9.143 -0.367) 9.983 6.379 ( -0.756 -7.630 -0.556) 7.688 6.508 ( 4.379 3.576 0.405) 5.668 6.571 ( 0.784 5.142 0.756) 5.256 6.583 ( 4.942 -1.170 1.853) 5.406 6.705 ( 5.523 1.707 2.959) 6.494 6.751 ( -7.464 -5.611 3.199) 9.870 6.806 ( -0.508 -1.753 2.146) 2.817 6.845 ( -7.490 -1.276 4.175) 8.669 6.883 ( -7.281 -4.612 4.554) 9.748 7.297 ( 6.979 1.981 -1.358) 7.381 7.355 ( 5.135 -3.618 -2.600) 6.798 7.389 ( -0.789 0.200 -2.814) 2.929 7.425 ( -1.376 -2.239 -2.959) 3.958 7.513 ( 0.306 0.153 2.031) 2.060 7.534 ( 1.605 -1.374 2.962) 3.638 7.591 ( -5.554 2.043 1.502) 6.105 7.647 ( -7.001 -2.803 0.491) 7.557 7.879 ( 6.757 7.812 1.851) 10.494 8.007 ( -1.081 4.873 1.266) 5.149 8.024 ( 3.785 -2.845 0.002) 4.735 8.078 ( 0.913 1.479 -1.084) 2.048 8.123 ( 3.251 3.252 3.286) 5.652 8.195 ( 0.140 0.674 1.779) 1.907 8.202 ( 2.672 -3.750 -0.695) 4.657 8.224 ( -0.317 -0.689 1.907) 2.052 8.242 ( 5.673 -2.095 0.028) 6.047 8.268 ( 1.047 -1.570 -0.154) 1.893 8.409 ( -10.069 3.131 -0.704) 10.568 8.468 ( -11.297 -2.264 -0.544) 11.534 8.620 ( 2.577 3.997 -3.929) 6.169 8.663 ( -0.093 1.521 -2.273) 2.736 8.687 ( -0.468 1.119 -0.942) 1.536 8.719 ( -2.683 0.108 0.159) 2.690 8.936 ( 1.193 7.519 -0.475) 7.628 8.967 ( -1.671 10.470 -1.145) 10.664 9.116 ( 3.951 -8.262 -2.225) 9.424 9.190 ( -3.086 -9.365 -2.047) 10.070 9.289 ( 2.255 3.744 4.681) 6.405 9.318 ( 0.057 3.262 3.625) 4.877 9.342 ( 1.054 -0.272 5.399) 5.507 9.356 ( 0.345 0.102 5.310) 5.322 9.524 ( 4.599 5.065 -6.764) 9.621 9.607 ( -0.396 0.469 -3.916) 3.964 9.614 ( -0.597 1.235 -3.272) 3.548 9.654 ( -1.552 -0.996 -3.269) 3.753 9.702 ( 3.868 -3.031 -1.423) 5.116 9.758 ( -0.128 -3.540 -2.733) 4.474 9.786 ( -1.344 -3.984 -1.863) 4.599 9.820 ( -3.641 -4.298 -0.878) 5.701 10.237 ( 2.530 2.884 1.134) 4.001 10.258 ( 1.203 2.418 1.327) 3.009 10.315 ( 0.387 -1.150 1.523) 1.948 10.327 ( -0.144 -1.282 2.093) 2.458 10.521 ( 4.185 2.878 -2.233) 5.548 10.565 ( 1.814 -0.155 -4.827) 5.158 10.583 ( 0.983 0.356 -4.097) 4.228 10.599 ( -1.718 -1.358 -3.583) 4.199 10.741 ( 0.655 1.932 3.713) 4.237 10.789 ( 0.166 -1.946 2.648) 3.290 10.820 ( -3.470 -0.339 3.748) 5.119 10.852 ( -2.984 -2.339 3.269) 5.006 10.987 ( 2.027 2.477 -0.552) 3.248 11.029 ( 0.775 -0.433 -0.866) 1.240 11.039 ( -1.749 1.157 -1.085) 2.361 11.078 ( -2.700 -1.647 -1.262) 3.405 11.219 ( 2.034 0.348 0.059) 2.065 11.226 ( 1.804 -0.625 0.858) 2.093 11.261 ( 0.054 -1.179 1.883) 2.222 11.267 ( -1.213 -1.075 0.986) 1.897 11.373 ( 0.392 1.719 0.256) 1.782 11.403 ( -1.176 0.813 1.029) 1.761 11.404 ( 0.238 -0.457 0.062) 0.519 11.434 ( -1.561 -1.323 0.496) 2.105 11.541 ( 3.154 1.566 3.268) 4.804 11.580 ( 2.017 -0.971 0.968) 2.439 11.603 ( -1.662 0.888 1.944) 2.707 11.638 ( -2.366 -1.489 -0.507) 2.841 11.720 ( 2.153 4.100 2.034) 5.058 11.761 ( -1.091 2.363 1.136) 2.840 11.771 ( 1.754 -0.423 2.043) 2.725 11.811 ( -1.668 -1.965 0.655) 2.660 11.878 ( 2.719 1.455 -2.171) 3.772 11.920 ( 1.673 -1.078 -2.997) 3.597 11.952 ( -2.426 0.272 -0.716) 2.544 12.004 ( -3.746 -2.912 -1.400) 4.947 12.246 ( 0.365 4.412 -2.531) 5.100 12.269 ( -1.501 5.299 -1.648) 5.749 12.341 ( 1.286 -4.142 -3.653) 5.671 12.388 ( -2.850 -5.433 -1.986) 6.449 12.601 ( 1.509 0.852 -7.121) 7.329 12.615 ( 1.245 0.038 -8.157) 8.252 12.649 ( -1.211 -0.447 -6.299) 6.430 12.670 ( -2.061 -1.924 -6.887) 7.442 12.829 ( 3.134 1.305 -3.927) 5.191 12.850 ( 3.009 -0.715 -2.970) 4.288 12.894 ( -3.167 1.142 -4.463) 5.590 12.913 ( -3.017 -0.637 -3.918) 4.986 13.393 ( 1.975 4.331 0.749) 4.819 13.414 ( 0.433 5.278 -0.127) 5.297 13.495 ( 1.981 -3.934 0.346) 4.418 13.545 ( -2.418 -5.598 -1.111) 6.198 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 0.000 22.646) 22.646 0.958 ( 0.000 0.000 22.699) 22.699 1.386 ( 0.000 0.000 24.944) 24.944 1.866 ( 0.000 0.000 -0.871) 0.871 1.875 ( 0.000 0.000 2.842) 2.842 1.996 ( 0.000 0.000 6.139) 6.139 2.182 ( 0.000 0.000 5.156) 5.156 2.461 ( 0.000 0.000 -1.389) 1.389 2.478 ( 0.000 0.000 -1.728) 1.728 2.578 ( 0.000 0.000 -1.468) 1.468 2.851 ( 0.000 0.000 1.168) 1.168 2.874 ( 0.000 0.000 11.710) 11.710 2.915 ( 0.000 0.000 0.723) 0.723 3.256 ( 0.000 0.000 0.335) 0.335 3.294 ( 0.000 0.000 4.974) 4.974 3.367 ( 0.000 0.000 -0.882) 0.882 3.603 ( 0.000 0.000 1.586) 1.586 3.671 ( 0.000 0.000 -3.545) 3.545 3.731 ( 0.000 0.000 -9.347) 9.347 3.839 ( 0.000 0.000 0.534) 0.534 3.881 ( 0.000 0.000 13.403) 13.403 3.903 ( 0.000 0.000 12.221) 12.221 3.935 ( 0.000 0.000 -4.155) 4.155 4.016 ( 0.000 0.000 -4.690) 4.690 4.275 ( 0.000 0.000 0.800) 0.800 4.393 ( 0.000 0.000 -2.449) 2.449 4.513 ( 0.000 0.000 11.411) 11.411 4.571 ( 0.000 0.000 2.632) 2.632 4.616 ( 0.000 0.000 6.057) 6.057 4.691 ( 0.000 0.000 9.634) 9.634 4.692 ( 0.000 0.000 3.024) 3.024 4.692 ( 0.000 0.000 7.070) 7.070 4.828 ( 0.000 0.000 12.811) 12.811 4.904 ( 0.000 0.000 -4.448) 4.448 4.993 ( 0.000 0.000 -5.586) 5.586 5.030 ( 0.000 0.000 0.829) 0.829 5.231 ( 0.000 0.000 -6.811) 6.811 5.287 ( 0.000 0.000 6.817) 6.817 5.318 ( 0.000 0.000 -0.824) 0.824 5.356 ( 0.000 0.000 0.089) 0.089 5.513 ( 0.000 0.000 4.130) 4.130 5.527 ( 0.000 0.000 9.843) 9.843 5.578 ( 0.000 0.000 3.400) 3.400 5.795 ( 0.000 0.000 6.949) 6.949 5.845 ( 0.000 0.000 -3.549) 3.549 5.847 ( 0.000 0.000 3.725) 3.725 5.939 ( 0.000 0.000 6.298) 6.298 5.964 ( 0.000 0.000 7.675) 7.675 5.999 ( 0.000 0.000 -1.118) 1.118 6.025 ( 0.000 0.000 2.418) 2.418 6.110 ( 0.000 0.000 -1.742) 1.742 6.163 ( 0.000 0.000 -6.055) 6.055 6.284 ( 0.000 0.000 2.072) 2.072 6.339 ( 0.000 0.000 3.107) 3.107 6.388 ( 0.000 0.000 -1.897) 1.897 6.464 ( 0.000 0.000 2.577) 2.577 6.574 ( 0.000 0.000 -3.332) 3.332 6.594 ( 0.000 0.000 1.649) 1.649 6.602 ( 0.000 0.000 8.731) 8.731 6.717 ( 0.000 0.000 3.013) 3.013 6.733 ( 0.000 0.000 13.105) 13.105 6.943 ( 0.000 0.000 -5.459) 5.459 7.043 ( 0.000 0.000 -8.323) 8.323 7.160 ( 0.000 0.000 -2.350) 2.350 7.287 ( 0.000 0.000 6.786) 6.786 7.289 ( 0.000 0.000 3.885) 3.885 7.347 ( 0.000 0.000 -7.075) 7.075 7.477 ( 0.000 0.000 -0.604) 0.604 7.531 ( 0.000 0.000 0.128) 0.128 7.567 ( 0.000 0.000 -3.502) 3.502 7.615 ( 0.000 0.000 -2.893) 2.893 7.703 ( 0.000 0.000 -6.058) 6.058 7.747 ( 0.000 0.000 1.921) 1.921 7.828 ( 0.000 0.000 0.490) 0.490 7.907 ( 0.000 0.000 -3.554) 3.554 7.999 ( 0.000 0.000 1.954) 1.954 8.024 ( 0.000 0.000 2.942) 2.942 8.088 ( 0.000 0.000 -2.388) 2.388 8.161 ( 0.000 0.000 1.677) 1.677 8.232 ( 0.000 0.000 15.296) 15.296 8.259 ( 0.000 0.000 4.179) 4.179 8.412 ( 0.000 0.000 -0.537) 0.537 8.475 ( 0.000 0.000 2.392) 2.392 8.553 ( 0.000 0.000 7.886) 7.886 8.583 ( 0.000 0.000 -1.060) 1.060 8.592 ( 0.000 0.000 -1.884) 1.884 8.618 ( 0.000 0.000 1.256) 1.256 8.745 ( 0.000 0.000 6.402) 6.402 8.911 ( 0.000 0.000 -7.821) 7.821 8.938 ( 0.000 0.000 -2.740) 2.740 9.030 ( 0.000 0.000 -8.637) 8.637 9.160 ( 0.000 0.000 3.469) 3.469 9.347 ( 0.000 0.000 -4.842) 4.842 9.361 ( 0.000 0.000 7.188) 7.188 9.389 ( 0.000 0.000 8.632) 8.632 9.435 ( 0.000 0.000 7.166) 7.166 9.436 ( 0.000 0.000 12.749) 12.749 9.482 ( 0.000 0.000 -6.486) 6.486 9.585 ( 0.000 0.000 -4.295) 4.295 9.595 ( 0.000 0.000 -0.146) 0.146 9.774 ( 0.000 0.000 -4.212) 4.212 9.797 ( 0.000 0.000 -6.473) 6.473 9.973 ( 0.000 0.000 -10.714) 10.714 10.010 ( 0.000 0.000 -0.277) 0.277 10.103 ( 0.000 0.000 1.582) 1.582 10.130 ( 0.000 0.000 0.897) 0.897 10.156 ( 0.000 0.000 -0.724) 0.724 10.283 ( 0.000 0.000 -6.546) 6.546 10.344 ( 0.000 0.000 -3.679) 3.679 10.408 ( 0.000 0.000 6.965) 6.965 10.416 ( 0.000 0.000 6.801) 6.801 10.776 ( 0.000 0.000 -1.645) 1.645 10.804 ( 0.000 0.000 -1.813) 1.813 10.849 ( 0.000 0.000 -5.119) 5.119 10.850 ( 0.000 0.000 0.120) 0.120 10.903 ( 0.000 0.000 -2.290) 2.290 11.052 ( 0.000 0.000 -9.254) 9.254 11.061 ( 0.000 0.000 -1.928) 1.928 11.073 ( 0.000 0.000 2.983) 2.983 11.076 ( 0.000 0.000 2.330) 2.330 11.133 ( 0.000 0.000 -8.905) 8.905 11.174 ( 0.000 0.000 1.054) 1.054 11.253 ( 0.000 0.000 -0.449) 0.449 11.333 ( 0.000 0.000 5.519) 5.519 11.372 ( 0.000 0.000 -9.767) 9.767 11.399 ( 0.000 0.000 -0.520) 0.520 11.422 ( 0.000 0.000 -0.462) 0.462 11.430 ( 0.000 0.000 2.350) 2.350 11.448 ( 0.000 0.000 2.101) 2.101 11.567 ( 0.000 0.000 0.214) 0.214 11.576 ( 0.000 0.000 -2.117) 2.117 11.676 ( 0.000 0.000 8.173) 8.173 11.718 ( 0.000 0.000 3.313) 3.313 11.727 ( 0.000 0.000 3.365) 3.365 11.788 ( 0.000 0.000 2.782) 2.782 11.805 ( 0.000 0.000 -8.357) 8.357 11.900 ( 0.000 0.000 2.226) 2.226 11.916 ( 0.000 0.000 3.703) 3.703 11.994 ( 0.000 0.000 -4.315) 4.315 12.022 ( 0.000 0.000 -4.654) 4.654 12.165 ( 0.000 0.000 0.570) 0.570 12.194 ( 0.000 0.000 -10.158) 10.158 12.233 ( 0.000 0.000 1.567) 1.567 12.453 ( 0.000 0.000 -9.352) 9.352 12.471 ( 0.000 0.000 -9.861) 9.861 12.517 ( 0.000 0.000 -2.691) 2.691 12.532 ( 0.000 0.000 -2.960) 2.960 12.605 ( 0.000 0.000 -4.648) 4.648 12.725 ( 0.000 0.000 -14.809) 14.809 12.785 ( 0.000 0.000 -1.756) 1.756 12.788 ( 0.000 0.000 -2.285) 2.285 12.881 ( 0.000 0.000 -7.162) 7.162 13.181 ( 0.000 0.000 1.745) 1.745 13.315 ( 0.000 0.000 -0.446) 0.446 13.529 ( 0.000 0.000 -0.760) 0.760 13.652 ( 0.000 0.000 -6.028) 6.028 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 7.465 0.000 18.094) 19.574 1.035 ( 16.265 0.000 17.776) 24.094 1.545 ( 10.410 0.000 17.151) 20.063 1.795 ( -1.093 0.000 6.079) 6.177 1.938 ( 2.087 0.000 -1.497) 2.569 2.065 ( 5.576 0.000 7.724) 9.527 2.147 ( -1.252 0.000 2.084) 2.431 2.290 ( -16.444 0.000 1.787) 16.541 2.456 ( -1.961 0.000 2.456) 3.143 2.570 ( -0.811 0.000 -0.768) 1.117 2.911 ( 5.771 0.000 1.401) 5.938 2.919 ( 3.538 0.000 6.079) 7.034 2.945 ( 3.245 0.000 4.503) 5.551 3.257 ( -4.843 0.000 -2.021) 5.248 3.312 ( 4.837 0.000 -0.858) 4.913 3.321 ( -2.691 0.000 9.037) 9.429 3.465 ( -9.555 0.000 0.450) 9.565 3.694 ( -4.531 0.000 -5.876) 7.420 3.774 ( 7.102 0.000 -1.435) 7.245 3.803 ( -2.734 0.000 -0.077) 2.736 3.878 ( 0.669 0.000 11.780) 11.799 3.910 ( -4.131 0.000 -2.201) 4.680 3.936 ( 3.752 0.000 9.015) 9.765 4.052 ( 3.830 0.000 -4.055) 5.578 4.261 ( -1.617 0.000 -0.717) 1.769 4.418 ( -0.624 0.000 -0.500) 0.800 4.540 ( 1.232 0.000 8.102) 8.195 4.581 ( -1.227 0.000 6.096) 6.218 4.635 ( -0.973 0.000 3.093) 3.243 4.648 ( 5.537 0.000 4.097) 6.888 4.687 ( 1.844 0.000 9.915) 10.085 4.747 ( 0.149 0.000 5.540) 5.542 4.830 ( -1.055 0.000 10.463) 10.516 4.931 ( 3.715 0.000 -3.233) 4.925 4.967 ( -1.771 0.000 -3.140) 3.605 5.051 ( 1.021 0.000 -2.860) 3.037 5.130 ( -5.277 0.000 3.941) 6.586 5.291 ( -2.378 0.000 0.290) 2.396 5.316 ( -3.233 0.000 0.091) 3.234 5.350 ( 4.636 0.000 -2.191) 5.127 5.442 ( -2.242 0.000 5.676) 6.102 5.565 ( 0.826 0.000 4.308) 4.387 5.615 ( 1.024 0.000 3.253) 3.410 5.791 ( -4.604 0.000 -0.449) 4.626 5.825 ( -0.919 0.000 5.708) 5.782 5.835 ( -0.224 0.000 1.040) 1.063 5.880 ( -14.321 0.000 -0.213) 14.322 5.950 ( -2.951 0.000 2.109) 3.627 6.020 ( 1.591 0.000 -0.546) 1.683 6.026 ( 3.516 0.000 0.307) 3.529 6.033 ( 2.245 0.000 4.781) 5.282 6.126 ( 2.258 0.000 3.562) 4.218 6.321 ( -1.160 0.000 -0.828) 1.425 6.372 ( 3.082 0.000 4.344) 5.327 6.389 ( -0.244 0.000 0.105) 0.266 6.492 ( -1.644 0.000 1.897) 2.510 6.568 ( 1.876 0.000 -4.143) 4.548 6.597 ( 7.627 0.000 6.123) 9.781 6.604 ( -0.474 0.000 6.609) 6.626 6.739 ( 3.025 0.000 8.676) 9.188 6.863 ( -7.597 0.000 -3.289) 8.278 6.927 ( -4.218 0.000 -4.504) 6.171 6.956 ( 11.903 0.000 4.197) 12.622 7.208 ( 0.693 0.000 0.213) 0.725 7.285 ( -5.146 0.000 -4.883) 7.094 7.323 ( 3.102 0.000 -1.736) 3.555 7.392 ( 6.488 0.000 4.103) 7.676 7.411 ( -6.484 0.000 0.913) 6.548 7.494 ( -1.663 0.000 -4.102) 4.427 7.558 ( 4.145 0.000 2.349) 4.764 7.676 ( -0.564 0.000 -2.410) 2.475 7.729 ( -2.448 0.000 -0.968) 2.633 7.742 ( 3.023 0.000 -5.309) 6.109 7.857 ( -0.153 0.000 -0.413) 0.441 7.891 ( 3.977 0.000 -0.508) 4.010 7.933 ( -4.788 0.000 3.284) 5.806 8.031 ( 1.769 0.000 0.580) 1.862 8.081 ( -2.008 0.000 -2.766) 3.418 8.225 ( 4.355 0.000 -0.568) 4.392 8.232 ( 0.952 0.000 13.588) 13.621 8.301 ( 4.207 0.000 3.798) 5.668 8.318 ( -7.799 0.000 0.118) 7.800 8.470 ( -0.548 0.000 3.405) 3.449 8.523 ( -3.907 0.000 -0.732) 3.975 8.568 ( -2.886 0.000 5.785) 6.464 8.598 ( 2.206 0.000 2.863) 3.614 8.622 ( 0.920 0.000 -0.579) 1.087 8.762 ( 0.620 0.000 6.667) 6.696 8.895 ( -3.238 0.000 -1.776) 3.693 8.971 ( 5.106 0.000 -6.881) 8.569 9.017 ( -6.967 0.000 1.586) 7.145 9.108 ( 2.483 0.000 -4.858) 5.456 9.268 ( -4.968 0.000 -1.097) 5.088 9.375 ( -1.943 0.000 -0.446) 1.994 9.409 ( 1.624 0.000 7.766) 7.934 9.424 ( 1.276 0.000 3.518) 3.742 9.484 ( 2.197 0.000 8.081) 8.374 9.502 ( -1.375 0.000 -0.005) 1.375 9.562 ( 1.328 0.000 -2.839) 3.134 9.611 ( 0.559 0.000 -0.058) 0.562 9.783 ( 0.823 0.000 -3.922) 4.007 9.800 ( 0.606 0.000 -6.221) 6.250 9.951 ( -2.026 0.000 -8.645) 8.880 9.955 ( -4.017 0.000 0.830) 4.102 10.152 ( 2.466 0.000 0.199) 2.474 10.178 ( 2.192 0.000 -0.619) 2.278 10.195 ( 4.761 0.000 0.015) 4.761 10.307 ( 4.091 0.000 -5.904) 7.183 10.379 ( 3.237 0.000 -4.166) 5.275 10.382 ( -1.922 0.000 3.834) 4.289 10.482 ( 5.266 0.000 6.849) 8.640 10.693 ( -5.534 0.000 -2.227) 5.966 10.787 ( -1.801 0.000 -0.592) 1.896 10.828 ( -1.803 0.000 -6.593) 6.835 10.869 ( -2.655 0.000 -3.521) 4.410 10.896 ( 2.526 0.000 0.236) 2.537 11.019 ( -4.809 0.000 0.093) 4.810 11.047 ( -2.007 0.000 2.005) 2.837 11.062 ( -1.422 0.000 -0.170) 1.432 11.075 ( 1.575 0.000 -8.044) 8.196 11.128 ( -0.125 0.000 -9.692) 9.693 11.184 ( -4.420 0.000 0.724) 4.479 11.257 ( 6.337 0.000 0.058) 6.337 11.321 ( -2.390 0.000 -4.862) 5.418 11.342 ( 1.154 0.000 4.317) 4.469 11.403 ( -1.594 0.000 -0.477) 1.664 11.422 ( -0.484 0.000 0.271) 0.555 11.467 ( 1.469 0.000 1.905) 2.405 11.478 ( 4.427 0.000 0.914) 4.520 11.568 ( 0.366 0.000 -0.528) 0.642 11.613 ( 3.835 0.000 -0.940) 3.949 11.682 ( 0.950 0.000 8.438) 8.491 11.729 ( -1.819 0.000 -0.315) 1.846 11.737 ( 1.721 0.000 3.093) 3.539 11.774 ( -1.252 0.000 3.405) 3.628 11.856 ( 4.003 0.000 -0.900) 4.103 11.883 ( -1.338 0.000 1.404) 1.940 11.903 ( -1.521 0.000 2.962) 3.329 12.007 ( 1.884 0.000 -4.107) 4.519 12.027 ( 0.538 0.000 -3.349) 3.392 12.141 ( -2.180 0.000 0.407) 2.218 12.142 ( -3.570 0.000 -4.020) 5.376 12.256 ( 0.953 0.000 -2.463) 2.641 12.385 ( -2.586 0.000 -11.833) 12.112 12.500 ( -0.159 0.000 -9.718) 9.720 12.517 ( 0.029 0.000 -2.922) 2.922 12.528 ( -0.298 0.000 -2.959) 2.974 12.632 ( 2.375 0.000 -4.710) 5.275 12.654 ( -6.283 0.000 -14.449) 15.756 12.778 ( -0.827 0.000 -2.537) 2.668 12.796 ( 0.679 0.000 -2.163) 2.267 12.867 ( -1.260 0.000 -6.644) 6.763 13.211 ( 2.555 0.000 0.400) 2.586 13.322 ( 0.317 0.000 -0.794) 0.855 13.539 ( 1.111 0.000 -1.227) 1.655 13.645 ( -0.727 0.000 -5.328) 5.378 ======================= Grid point 52 (21/45) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 12.679 0.000 10.600) 16.526 1.436 ( 22.153 0.000 10.999) 24.734 1.499 ( -11.165 0.000 6.735) 13.040 1.890 ( -22.050 0.000 6.114) 22.882 1.932 ( 6.182 0.000 3.969) 7.346 1.973 ( 0.935 0.000 0.131) 0.944 2.183 ( 10.454 0.000 7.815) 13.053 2.226 ( 6.700 0.000 5.826) 8.879 2.373 ( -5.171 0.000 4.577) 6.905 2.476 ( -10.127 0.000 3.793) 10.814 2.986 ( 3.822 0.000 -2.123) 4.372 3.039 ( 2.424 0.000 9.144) 9.460 3.079 ( 10.379 0.000 0.649) 10.399 3.158 ( -1.456 0.000 1.402) 2.021 3.242 ( -5.473 0.000 12.957) 14.066 3.274 ( -7.945 0.000 -1.480) 8.082 3.449 ( 6.050 0.000 -1.401) 6.210 3.570 ( -6.423 0.000 -2.617) 6.935 3.761 ( -0.724 0.000 0.659) 0.979 3.805 ( -4.899 0.000 -0.026) 4.899 3.864 ( 2.486 0.000 4.942) 5.532 3.894 ( -0.245 0.000 7.590) 7.594 4.092 ( 10.552 0.000 4.444) 11.450 4.132 ( 3.837 0.000 -3.422) 5.141 4.207 ( -3.509 0.000 -2.929) 4.571 4.303 ( -9.352 0.000 2.767) 9.753 4.576 ( 2.402 0.000 8.457) 8.792 4.602 ( 2.766 0.000 2.250) 3.566 4.629 ( -2.609 0.000 8.681) 9.065 4.660 ( 0.489 0.000 5.115) 5.139 4.704 ( -0.799 0.000 3.647) 3.734 4.775 ( -4.343 0.000 5.621) 7.103 4.859 ( 8.451 0.000 1.338) 8.556 4.938 ( -1.117 0.000 -2.783) 2.999 5.028 ( 4.871 0.000 2.044) 5.283 5.063 ( 1.499 0.000 -2.265) 2.716 5.087 ( -0.695 0.000 3.868) 3.930 5.172 ( -7.517 0.000 1.948) 7.765 5.342 ( 5.209 0.000 -0.312) 5.218 5.420 ( 2.485 0.000 4.531) 5.168 5.474 ( 3.801 0.000 -2.810) 4.727 5.525 ( -11.932 0.000 -2.603) 12.212 5.554 ( -3.256 0.000 -0.243) 3.265 5.657 ( -7.722 0.000 -3.082) 8.314 5.660 ( 3.512 0.000 6.098) 7.037 5.768 ( -5.243 0.000 6.457) 8.317 5.847 ( 1.335 0.000 1.296) 1.861 5.891 ( -2.850 0.000 1.361) 3.158 6.060 ( 2.066 0.000 -0.367) 2.098 6.076 ( 0.551 0.000 -1.632) 1.722 6.143 ( 6.239 0.000 4.245) 7.546 6.229 ( 7.350 0.000 4.397) 8.565 6.258 ( -4.780 0.000 1.642) 5.054 6.353 ( -3.659 0.000 1.927) 4.135 6.448 ( 3.601 0.000 6.779) 7.676 6.495 ( 1.887 0.000 -0.145) 1.893 6.538 ( -5.512 0.000 5.952) 8.113 6.541 ( -2.170 0.000 -3.459) 4.083 6.789 ( 1.029 0.000 -0.598) 1.190 6.836 ( 7.624 0.000 8.058) 11.093 6.848 ( -3.771 0.000 -3.589) 5.206 6.856 ( 11.626 0.000 6.376) 13.260 7.019 ( -4.317 0.000 4.451) 6.200 7.153 ( -10.755 0.000 -1.177) 10.819 7.245 ( 3.044 0.000 0.946) 3.187 7.312 ( -2.903 0.000 -1.755) 3.392 7.371 ( 5.662 0.000 -3.362) 6.585 7.469 ( -2.202 0.000 -4.769) 5.253 7.531 ( 6.818 0.000 3.352) 7.598 7.625 ( -2.072 0.000 -0.536) 2.140 7.633 ( -1.146 0.000 2.354) 2.618 7.649 ( -3.860 0.000 -0.646) 3.913 7.806 ( 4.475 0.000 -1.565) 4.741 7.880 ( -0.677 0.000 2.892) 2.971 7.893 ( 2.452 0.000 0.657) 2.539 7.930 ( -0.781 0.000 1.770) 1.934 8.023 ( -1.056 0.000 -0.256) 1.086 8.125 ( -8.920 0.000 0.253) 8.923 8.143 ( 8.166 0.000 -5.275) 9.722 8.265 ( -1.911 0.000 -5.371) 5.701 8.317 ( 5.858 0.000 7.307) 9.365 8.404 ( 2.977 0.000 1.643) 3.400 8.440 ( -3.189 0.000 3.132) 4.470 8.455 ( -6.971 0.000 4.194) 8.135 8.483 ( 4.454 0.000 5.601) 7.156 8.603 ( -3.965 0.000 0.692) 4.025 8.676 ( 4.155 0.000 6.143) 7.416 8.745 ( -2.355 0.000 6.699) 7.101 8.838 ( -1.566 0.000 1.188) 1.965 8.869 ( -5.060 0.000 5.502) 7.475 9.081 ( 5.259 0.000 -5.332) 7.489 9.176 ( -4.318 0.000 -3.093) 5.312 9.203 ( 5.541 0.000 -8.938) 10.516 9.309 ( -4.503 0.000 -7.219) 8.508 9.441 ( 0.312 0.000 1.957) 1.982 9.450 ( 2.350 0.000 7.378) 7.743 9.455 ( -1.606 0.000 1.232) 2.024 9.492 ( -1.303 0.000 6.941) 7.063 9.609 ( 1.831 0.000 0.307) 1.856 9.623 ( 0.365 0.000 0.384) 0.530 9.808 ( 1.957 0.000 -1.945) 2.759 9.835 ( 2.799 0.000 -5.780) 6.422 9.870 ( -4.036 0.000 0.373) 4.053 9.898 ( -3.090 0.000 -6.302) 7.019 10.203 ( 2.225 0.000 -1.481) 2.673 10.230 ( -0.235 0.000 -2.431) 2.443 10.242 ( 3.931 0.000 -0.002) 3.931 10.324 ( -3.772 0.000 1.635) 4.110 10.422 ( 4.838 0.000 -3.780) 6.139 10.480 ( 2.745 0.000 -4.826) 5.552 10.606 ( 6.385 0.000 3.748) 7.404 10.626 ( 3.336 0.000 -2.318) 4.062 10.721 ( -4.734 0.000 1.348) 4.922 10.802 ( -0.308 0.000 -6.804) 6.811 10.819 ( -1.928 0.000 -5.124) 5.474 10.830 ( -11.912 0.000 -1.274) 11.980 10.948 ( 2.470 0.000 0.496) 2.519 10.999 ( -2.468 0.000 -0.282) 2.484 11.068 ( 1.399 0.000 0.990) 1.714 11.103 ( 1.311 0.000 -9.140) 9.233 11.112 ( -2.845 0.000 1.656) 3.292 11.126 ( -0.616 0.000 -10.490) 10.509 11.304 ( 1.051 0.000 -1.157) 1.563 11.352 ( -3.034 0.000 0.004) 3.034 11.366 ( 2.062 0.000 1.880) 2.790 11.386 ( 1.744 0.000 3.447) 3.863 11.416 ( 2.523 0.000 -0.061) 2.524 11.476 ( -1.066 0.000 1.475) 1.820 11.578 ( 5.083 0.000 2.359) 5.604 11.598 ( 2.374 0.000 -0.627) 2.455 11.658 ( -1.544 0.000 0.971) 1.824 11.662 ( -3.578 0.000 -1.574) 3.909 11.739 ( 4.169 0.000 8.378) 9.358 11.762 ( 2.437 0.000 2.737) 3.665 11.788 ( 1.976 0.000 0.438) 2.024 11.843 ( -4.969 0.000 6.920) 8.519 11.847 ( -2.289 0.000 3.425) 4.119 11.857 ( -2.514 0.000 -0.223) 2.524 12.047 ( 1.543 0.000 -1.190) 1.948 12.077 ( 2.978 0.000 1.198) 3.210 12.090 ( -2.548 0.000 -0.094) 2.549 12.107 ( -0.009 0.000 -3.311) 3.311 12.278 ( 3.432 0.000 -7.605) 8.343 12.370 ( -1.628 0.000 -8.268) 8.426 12.468 ( -1.316 0.000 -13.840) 13.903 12.518 ( 0.137 0.000 -3.132) 3.135 12.519 ( -5.489 0.000 -15.800) 16.727 12.522 ( -0.243 0.000 -3.054) 3.064 12.690 ( 3.125 0.000 -4.695) 5.640 12.747 ( -2.300 0.000 -3.821) 4.460 12.814 ( 1.077 0.000 -3.066) 3.249 12.839 ( -1.398 0.000 -4.865) 5.062 13.267 ( 2.739 0.000 -1.040) 2.930 13.312 ( -1.469 0.000 -1.326) 1.979 13.575 ( 2.322 0.000 -2.356) 3.308 13.620 ( -1.833 0.000 -3.849) 4.263 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.000 5.102 14.892) 15.742 1.093 ( 0.000 12.168 17.551) 21.357 1.742 ( 0.000 26.058 19.069) 32.290 1.787 ( 0.000 -9.484 0.600) 9.503 1.861 ( 0.000 -1.425 2.442) 2.827 1.981 ( 0.000 -0.282 8.298) 8.302 2.072 ( 0.000 -5.677 2.324) 6.134 2.291 ( 0.000 -10.762 3.630) 11.358 2.325 ( 0.000 -10.860 0.453) 10.869 2.769 ( 0.000 6.614 -0.659) 6.647 2.798 ( 0.000 -3.668 2.262) 4.309 2.867 ( 0.000 1.213 3.937) 4.120 2.974 ( 0.000 3.538 0.287) 3.550 3.228 ( 0.000 -2.792 3.158) 4.215 3.289 ( 0.000 -2.740 2.340) 3.603 3.400 ( 0.000 5.302 3.402) 6.300 3.588 ( 0.000 -0.760 1.689) 1.852 3.664 ( 0.000 -2.469 -3.704) 4.451 3.691 ( 0.000 -2.539 -4.568) 5.227 3.808 ( 0.000 -2.504 -0.074) 2.505 3.918 ( 0.000 1.160 3.902) 4.071 3.940 ( 0.000 2.841 9.705) 10.112 3.980 ( 0.000 5.525 1.216) 5.658 4.067 ( 0.000 4.461 -1.782) 4.804 4.275 ( 0.000 -5.842 2.018) 6.181 4.293 ( 0.000 1.102 2.558) 2.786 4.480 ( 0.000 -7.547 8.866) 11.643 4.491 ( 0.000 -3.263 9.065) 9.635 4.586 ( 0.000 -2.262 0.705) 2.369 4.633 ( 0.000 -0.534 3.073) 3.119 4.768 ( 0.000 7.721 1.208) 7.815 4.830 ( 0.000 -2.262 0.129) 2.265 4.924 ( 0.000 9.669 6.651) 11.736 4.927 ( 0.000 7.108 10.002) 12.270 4.937 ( 0.000 -3.004 -0.678) 3.080 5.145 ( 0.000 8.053 -0.279) 8.058 5.217 ( 0.000 -0.914 -5.200) 5.280 5.264 ( 0.000 -4.965 -2.841) 5.721 5.287 ( 0.000 0.132 4.785) 4.787 5.404 ( 0.000 4.546 0.918) 4.638 5.530 ( 0.000 1.380 3.530) 3.790 5.540 ( 0.000 0.933 10.601) 10.642 5.577 ( 0.000 -0.796 2.762) 2.874 5.754 ( 0.000 -2.897 6.285) 6.920 5.770 ( 0.000 -5.371 -0.274) 5.378 5.818 ( 0.000 -2.691 4.436) 5.188 5.952 ( 0.000 0.730 8.782) 8.812 5.963 ( 0.000 -5.012 2.510) 5.605 5.980 ( 0.000 -2.744 1.345) 3.056 6.042 ( 0.000 3.907 -4.532) 5.984 6.081 ( 0.000 -5.071 -1.749) 5.364 6.125 ( 0.000 0.720 0.101) 0.727 6.272 ( 0.000 -1.140 1.821) 2.149 6.346 ( 0.000 1.075 2.144) 2.399 6.396 ( 0.000 1.478 -1.946) 2.444 6.467 ( 0.000 -8.761 -1.313) 8.859 6.483 ( 0.000 0.101 4.906) 4.907 6.546 ( 0.000 -2.224 1.630) 2.758 6.622 ( 0.000 2.949 -2.272) 3.722 6.688 ( 0.000 -2.966 3.575) 4.646 6.756 ( 0.000 1.241 11.035) 11.104 6.918 ( 0.000 -3.982 -2.881) 4.915 7.100 ( 0.000 5.544 -4.236) 6.977 7.113 ( 0.000 -4.424 3.021) 5.357 7.212 ( 0.000 -1.769 -0.204) 1.781 7.290 ( 0.000 0.125 -1.795) 1.800 7.360 ( 0.000 -1.089 -1.644) 1.972 7.495 ( 0.000 -2.124 -4.741) 5.195 7.527 ( 0.000 1.957 2.782) 3.402 7.626 ( 0.000 1.931 -4.440) 4.842 7.637 ( 0.000 4.241 1.162) 4.397 7.697 ( 0.000 0.590 0.909) 1.084 7.792 ( 0.000 0.230 6.136) 6.140 7.843 ( 0.000 2.188 0.610) 2.272 7.882 ( 0.000 -1.972 -2.720) 3.359 7.940 ( 0.000 -2.372 -3.681) 4.380 8.041 ( 0.000 -2.529 -3.456) 4.282 8.104 ( 0.000 4.755 4.245) 6.374 8.177 ( 0.000 -2.415 0.909) 2.580 8.195 ( 0.000 0.974 2.431) 2.619 8.287 ( 0.000 4.593 12.692) 13.497 8.425 ( 0.000 -2.119 2.151) 3.020 8.506 ( 0.000 -4.289 -2.235) 4.836 8.536 ( 0.000 4.793 0.331) 4.805 8.608 ( 0.000 2.417 3.049) 3.890 8.670 ( 0.000 9.412 3.052) 9.894 8.692 ( 0.000 3.581 1.039) 3.728 8.791 ( 0.000 5.158 5.036) 7.209 8.912 ( 0.000 -0.837 -3.301) 3.405 8.991 ( 0.000 4.439 -4.716) 6.477 9.039 ( 0.000 -0.766 -6.888) 6.930 9.116 ( 0.000 -1.873 1.605) 2.467 9.265 ( 0.000 -4.846 -2.937) 5.667 9.329 ( 0.000 -0.353 2.799) 2.821 9.388 ( 0.000 -0.104 5.293) 5.294 9.420 ( 0.000 -1.017 11.718) 11.762 9.434 ( 0.000 -0.276 7.239) 7.244 9.568 ( 0.000 1.583 -1.694) 2.318 9.592 ( 0.000 0.390 -4.939) 4.955 9.629 ( 0.000 4.356 0.591) 4.396 9.703 ( 0.000 -7.423 -4.022) 8.442 9.766 ( 0.000 -0.949 -4.835) 4.927 9.828 ( 0.000 -11.077 -7.428) 13.337 9.971 ( 0.000 -4.021 -1.444) 4.272 10.153 ( 0.000 0.875 -1.750) 1.957 10.154 ( 0.000 2.591 -1.383) 2.937 10.184 ( 0.000 4.579 1.577) 4.843 10.303 ( 0.000 1.963 -6.210) 6.513 10.366 ( 0.000 1.406 -3.591) 3.857 10.412 ( 0.000 0.535 5.759) 5.784 10.435 ( 0.000 1.180 4.882) 5.022 10.721 ( 0.000 -4.452 -1.345) 4.651 10.828 ( 0.000 0.597 -0.430) 0.736 10.839 ( 0.000 -0.485 -0.823) 0.955 10.884 ( 0.000 2.707 -3.524) 4.443 10.929 ( 0.000 2.255 -0.998) 2.466 11.038 ( 0.000 -1.015 -3.417) 3.564 11.055 ( 0.000 -0.895 1.118) 1.432 11.069 ( 0.000 -0.645 0.694) 0.947 11.070 ( 0.000 -0.189 -6.724) 6.726 11.131 ( 0.000 0.378 -6.785) 6.796 11.171 ( 0.000 -0.231 1.018) 1.044 11.284 ( 0.000 1.321 0.347) 1.366 11.323 ( 0.000 0.814 2.345) 2.482 11.368 ( 0.000 -1.168 -4.144) 4.306 11.398 ( 0.000 0.117 1.742) 1.745 11.407 ( 0.000 0.273 -2.502) 2.517 11.445 ( 0.000 0.426 0.636) 0.765 11.447 ( 0.000 -0.132 1.550) 1.556 11.549 ( 0.000 -0.957 0.463) 1.063 11.557 ( 0.000 -1.248 -1.327) 1.822 11.709 ( 0.000 -2.036 1.512) 2.536 11.713 ( 0.000 2.428 5.895) 6.375 11.752 ( 0.000 -1.546 -4.187) 4.464 11.772 ( 0.000 3.933 2.410) 4.613 11.823 ( 0.000 0.432 0.533) 0.687 11.879 ( 0.000 -2.406 3.614) 4.342 11.898 ( 0.000 -0.325 2.713) 2.732 12.010 ( 0.000 0.764 -4.004) 4.076 12.067 ( 0.000 3.648 -5.873) 6.913 12.145 ( 0.000 -1.902 0.756) 2.046 12.203 ( 0.000 1.402 -7.593) 7.721 12.222 ( 0.000 -1.067 -0.699) 1.275 12.442 ( 0.000 -0.932 -7.712) 7.769 12.484 ( 0.000 1.305 -9.448) 9.538 12.489 ( 0.000 -2.523 -3.093) 3.991 12.524 ( 0.000 -0.722 -3.450) 3.525 12.622 ( 0.000 1.334 -5.128) 5.299 12.683 ( 0.000 -2.837 -10.701) 11.070 12.764 ( 0.000 -1.914 -1.973) 2.749 12.817 ( 0.000 1.716 -5.955) 6.197 12.873 ( 0.000 -0.557 -7.239) 7.261 13.230 ( 0.000 4.211 0.846) 4.295 13.324 ( 0.000 0.852 -0.234) 0.883 13.511 ( 0.000 -1.550 -0.781) 1.735 13.618 ( 0.000 -3.110 -5.530) 6.345 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 14.001 2.046 14.085) 19.965 1.152 ( 5.859 10.751 15.288) 19.586 1.755 ( -2.357 4.636 4.766) 7.055 1.831 ( -4.059 -6.531 0.813) 7.732 1.897 ( 11.311 10.678 10.117) 18.556 1.997 ( -2.806 -5.774 3.541) 7.331 2.057 ( 6.106 0.459 8.854) 10.765 2.192 ( -8.742 -8.502 4.707) 13.071 2.349 ( -0.059 -9.286 3.506) 9.926 2.731 ( -3.331 11.055 -1.404) 11.631 2.858 ( 5.694 -2.988 2.775) 7.003 2.923 ( 5.402 -0.457 5.857) 7.981 2.983 ( 1.594 2.165 -0.719) 2.783 3.226 ( -3.044 -5.621 -4.190) 7.643 3.274 ( 0.131 1.563 10.809) 10.922 3.388 ( -0.749 4.390 0.069) 4.454 3.519 ( -6.066 2.382 1.935) 6.798 3.651 ( -2.381 -2.705 -1.464) 3.890 3.706 ( 1.130 -5.001 -3.013) 5.947 3.772 ( -1.319 -3.054 -1.009) 3.477 3.900 ( -1.251 2.565 9.081) 9.518 3.919 ( -0.746 1.438 3.670) 4.012 4.026 ( 3.247 5.427 0.392) 6.336 4.110 ( 3.129 4.427 0.094) 5.422 4.239 ( -3.317 -1.849 1.257) 4.000 4.320 ( 2.864 -5.140 4.608) 7.473 4.444 ( -2.370 -6.541 8.231) 10.777 4.531 ( -1.596 -2.442 4.570) 5.422 4.633 ( 7.592 -1.726 4.714) 9.102 4.659 ( 2.039 -0.162 2.325) 3.097 4.782 ( 0.893 7.601 1.134) 7.737 4.842 ( 1.161 -1.401 1.431) 2.315 4.897 ( -2.184 8.346 5.664) 10.321 4.905 ( -2.027 5.959 7.114) 9.498 4.972 ( 2.533 -4.531 -2.730) 5.865 5.127 ( -0.862 8.187 1.080) 8.303 5.153 ( -3.475 2.407 3.528) 5.506 5.251 ( -1.418 -4.419 -0.061) 4.641 5.282 ( -2.862 -1.771 -1.833) 3.833 5.381 ( 1.066 2.698 -0.497) 2.943 5.474 ( -2.549 2.112 4.280) 5.411 5.555 ( 0.187 -1.071 4.314) 4.449 5.628 ( 2.862 1.016 4.217) 5.197 5.730 ( -4.783 -5.369 2.052) 7.478 5.794 ( 0.181 -2.709 3.930) 4.776 5.811 ( 0.101 -1.845 3.605) 4.051 5.853 ( -10.952 -2.515 -0.756) 11.263 5.961 ( -0.796 -1.298 2.447) 2.882 5.984 ( -1.091 -2.043 1.959) 3.033 6.041 ( 1.908 1.740 -1.163) 2.832 6.064 ( 3.394 1.318 -0.019) 3.641 6.137 ( 1.865 1.204 4.101) 4.663 6.313 ( -1.402 -0.791 -0.600) 1.718 6.345 ( -0.654 -2.308 0.632) 2.480 6.390 ( 2.201 -0.523 0.193) 2.270 6.423 ( 0.432 -4.764 2.730) 5.508 6.509 ( -0.172 -2.799 -2.257) 3.599 6.558 ( 6.184 -2.429 6.472) 9.275 6.606 ( -2.143 -1.317 4.492) 5.148 6.728 ( 2.430 -1.159 5.609) 6.222 6.831 ( -1.261 -1.801 -3.003) 3.722 6.934 ( 3.207 1.718 1.321) 3.870 7.047 ( -0.159 5.674 3.413) 6.623 7.102 ( -0.914 -7.020 2.525) 7.516 7.260 ( -2.135 -2.156 -3.655) 4.750 7.302 ( 3.181 -1.045 -4.212) 5.381 7.337 ( -0.957 -1.362 2.688) 3.162 7.450 ( -1.735 -3.037 -2.457) 4.275 7.543 ( 0.315 1.749 2.150) 2.790 7.565 ( -2.263 2.853 -1.059) 3.793 7.699 ( -0.976 1.100 -0.924) 1.737 7.725 ( 2.313 3.990 3.473) 5.773 7.797 ( -0.827 -1.859 1.106) 2.316 7.840 ( 2.573 -0.229 -0.609) 2.654 7.901 ( 1.384 4.749 -6.123) 7.871 7.949 ( 3.689 -3.176 -0.331) 4.879 8.039 ( -1.060 3.106 -1.996) 3.841 8.106 ( 0.742 2.385 1.296) 2.814 8.196 ( 1.455 -1.990 4.219) 4.886 8.237 ( 2.568 -0.063 0.886) 2.717 8.288 ( 1.192 3.022 9.385) 9.931 8.436 ( 0.695 -0.658 3.405) 3.537 8.458 ( -5.507 2.963 0.423) 6.268 8.481 ( -3.208 -0.152 0.332) 3.229 8.599 ( -2.337 2.287 -0.956) 3.407 8.641 ( 0.927 3.468 3.466) 4.990 8.704 ( -1.619 5.443 5.292) 7.762 8.795 ( -0.111 4.194 5.066) 6.577 8.877 ( -2.567 -0.790 -2.422) 3.617 8.981 ( -6.911 -3.414 3.474) 8.455 9.021 ( 3.338 2.946 -5.294) 6.918 9.132 ( 3.536 2.684 -7.321) 8.562 9.247 ( -1.877 -2.584 -4.747) 5.721 9.301 ( -1.049 -1.083 1.720) 2.287 9.406 ( 0.467 -0.938 6.120) 6.209 9.447 ( 1.251 -0.668 6.302) 6.459 9.461 ( 2.555 -0.678 7.713) 8.154 9.533 ( -3.529 2.138 -3.703) 5.544 9.594 ( 0.692 -0.733 -1.217) 1.580 9.623 ( -0.286 3.280 0.380) 3.314 9.717 ( 1.766 -6.383 -4.889) 8.232 9.783 ( 1.148 -0.973 -3.622) 3.922 9.831 ( -0.129 -9.318 -6.112) 11.145 9.940 ( -2.824 -2.580 -0.505) 3.858 10.160 ( 1.582 0.814 -0.893) 1.991 10.195 ( 2.068 1.188 -0.424) 2.422 10.227 ( 3.455 3.536 -1.138) 5.073 10.331 ( 3.911 2.209 -5.387) 7.014 10.382 ( 0.679 0.723 0.272) 1.029 10.410 ( 0.164 1.620 -1.824) 2.445 10.478 ( 4.185 -0.529 5.607) 7.017 10.669 ( -4.189 -2.473 -1.651) 5.137 10.802 ( -1.837 0.818 0.019) 2.011 10.839 ( -1.276 -0.281 -4.864) 5.037 10.873 ( -1.479 1.434 -1.739) 2.696 10.917 ( 0.217 1.990 -1.510) 2.508 11.000 ( -4.674 -1.545 0.600) 4.960 11.043 ( -0.698 -0.572 0.124) 0.911 11.045 ( -1.886 -0.617 -4.284) 4.721 11.082 ( 0.460 -0.368 -3.590) 3.638 11.125 ( -0.254 0.893 -5.667) 5.742 11.203 ( 0.710 -0.478 -0.154) 0.869 11.254 ( 0.228 1.756 -1.799) 2.525 11.333 ( 1.247 -0.179 3.354) 3.583 11.344 ( -0.680 0.504 -1.808) 1.996 11.384 ( -1.074 -0.730 0.409) 1.361 11.427 ( -0.033 0.247 -0.619) 0.667 11.458 ( 0.909 -0.541 1.219) 1.614 11.493 ( 4.359 0.629 1.203) 4.566 11.557 ( 0.667 -0.167 -1.376) 1.538 11.601 ( 4.324 -0.800 -0.056) 4.397 11.705 ( -1.990 -0.703 1.900) 2.839 11.719 ( 0.046 1.906 5.096) 5.441 11.759 ( 0.770 -0.044 1.602) 1.778 11.798 ( 0.732 2.892 1.653) 3.410 11.830 ( 2.434 -2.236 0.706) 3.380 11.877 ( -0.103 -1.676 0.612) 1.787 11.886 ( -0.804 -0.306 3.651) 3.751 12.006 ( -0.261 0.341 -2.359) 2.397 12.071 ( -0.431 2.650 -2.664) 3.783 12.101 ( -1.918 -1.287 -3.393) 4.105 12.186 ( -1.642 1.930 -2.082) 3.280 12.248 ( 1.137 -0.291 -3.087) 3.303 12.385 ( -2.603 0.334 -10.760) 11.076 12.477 ( -0.234 -2.657 -3.977) 4.789 12.512 ( 0.068 -0.102 -7.792) 7.793 12.515 ( -0.883 -1.168 -3.994) 4.254 12.615 ( -5.704 -2.768 -11.595) 13.215 12.648 ( 2.326 1.512 -4.925) 5.653 12.778 ( 1.050 -1.551 -2.667) 3.259 12.802 ( -1.339 1.600 -5.066) 5.479 12.861 ( -1.170 -0.513 -6.770) 6.890 13.255 ( 2.199 3.928 -0.130) 4.503 13.335 ( 0.735 1.259 -0.605) 1.579 13.518 ( 0.851 -1.832 -1.192) 2.346 13.612 ( -0.681 -3.083 -4.895) 5.825 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 10.442 6.282 10.255) 15.927 1.340 ( 16.471 -1.514 10.010) 19.334 1.598 ( -9.720 5.103 6.626) 12.822 1.712 ( -10.985 -6.721 4.668) 13.698 1.968 ( -0.179 -7.057 1.951) 7.324 2.003 ( -4.941 -4.068 3.722) 7.403 2.107 ( 8.416 -6.233 6.522) 12.338 2.239 ( -0.591 -4.378 8.206) 9.319 2.342 ( 9.425 8.508 6.260) 14.156 2.602 ( -10.717 12.941 1.330) 16.855 3.009 ( 6.047 -0.508 -0.023) 6.069 3.032 ( 6.787 -0.212 0.523) 6.811 3.055 ( 3.231 0.674 6.107) 6.942 3.185 ( -6.997 0.649 5.033) 8.643 3.194 ( 2.556 -2.084 0.138) 3.301 3.343 ( -8.345 2.395 2.140) 8.942 3.475 ( 4.804 1.520 0.367) 5.053 3.574 ( -4.453 1.439 0.215) 4.684 3.707 ( 0.222 -4.156 0.158) 4.165 3.742 ( -2.764 -4.285 -0.101) 5.100 3.894 ( 0.540 1.686 6.419) 6.659 3.907 ( -0.537 0.953 5.837) 5.939 4.117 ( 4.224 -0.188 -1.089) 4.367 4.170 ( 0.413 0.443 -0.336) 0.692 4.190 ( 1.989 2.580 2.438) 4.069 4.304 ( -4.972 0.144 3.541) 6.106 4.437 ( 1.839 -6.068 8.812) 10.856 4.483 ( -2.408 -4.488 7.051) 8.698 4.699 ( 2.498 0.794 2.712) 3.772 4.744 ( -0.216 0.232 2.706) 2.725 4.805 ( 0.837 5.959 3.630) 7.027 4.819 ( -1.922 7.931 2.227) 8.459 4.897 ( 2.522 0.019 0.510) 2.573 4.918 ( 3.147 2.684 0.456) 4.161 4.999 ( 1.534 -4.344 -0.941) 4.702 5.107 ( -3.702 0.719 1.615) 4.102 5.137 ( 1.348 6.836 5.114) 8.643 5.172 ( -3.465 2.796 3.308) 5.547 5.280 ( 3.413 -3.849 0.399) 5.159 5.375 ( -3.543 -5.293 -2.751) 6.938 5.490 ( 3.839 2.613 2.423) 5.238 5.569 ( -6.301 0.242 -1.293) 6.437 5.582 ( -0.563 0.683 -0.472) 1.003 5.627 ( -4.954 -0.742 0.342) 5.020 5.661 ( 0.304 -0.328 4.319) 4.342 5.748 ( -4.990 -1.647 6.111) 8.059 5.834 ( 2.229 -0.975 2.021) 3.163 5.898 ( -3.884 0.399 1.977) 4.376 6.036 ( 3.501 -1.729 0.246) 3.912 6.074 ( -0.046 0.278 -1.498) 1.524 6.155 ( 5.073 0.094 1.224) 5.220 6.213 ( 5.589 -1.944 4.335) 7.335 6.249 ( -4.044 -0.444 1.463) 4.324 6.316 ( -2.841 -4.193 0.806) 5.129 6.431 ( 0.954 -4.443 -0.409) 4.563 6.451 ( 0.065 0.812 0.982) 1.275 6.496 ( 0.353 -1.788 1.648) 2.457 6.536 ( -3.218 -1.091 3.080) 4.586 6.756 ( 9.271 -4.592 2.923) 10.751 6.791 ( 3.592 -2.384 2.405) 4.937 6.827 ( 3.604 1.108 2.774) 4.681 6.922 ( -2.014 1.989 4.851) 5.617 7.001 ( -5.021 -2.256 7.500) 9.304 7.031 ( -7.405 -3.975 1.743) 8.584 7.287 ( 1.226 -0.413 0.384) 1.349 7.308 ( 0.736 -0.234 -2.561) 2.675 7.363 ( 3.677 -1.920 -3.904) 5.697 7.428 ( -1.408 -3.023 -3.071) 4.534 7.541 ( 1.403 1.154 -0.377) 1.855 7.573 ( 0.949 -2.166 2.240) 3.257 7.636 ( -3.369 -0.008 2.656) 4.290 7.666 ( -4.814 1.252 2.316) 5.487 7.851 ( 4.331 1.653 1.080) 4.760 7.895 ( -0.657 2.554 -3.567) 4.436 7.954 ( 4.183 4.599 -1.888) 6.497 7.996 ( -0.211 3.984 0.576) 4.031 8.090 ( 0.630 2.964 -2.677) 4.043 8.099 ( 4.137 4.495 -0.380) 6.121 8.242 ( 0.443 1.720 1.829) 2.550 8.261 ( -1.824 1.426 -3.288) 4.021 8.299 ( 1.192 -1.708 5.573) 5.950 8.359 ( -1.044 0.023 2.743) 2.934 8.433 ( -0.649 -1.157 3.802) 4.027 8.468 ( -1.702 0.489 2.539) 3.096 8.528 ( -0.139 1.635 4.544) 4.831 8.614 ( -4.277 1.557 2.053) 4.993 8.712 ( 2.604 2.052 6.767) 7.535 8.770 ( -2.571 2.818 5.995) 7.106 8.827 ( -1.297 0.292 -0.121) 1.335 8.854 ( -4.000 -0.475 3.807) 5.543 9.108 ( 4.463 0.896 -5.777) 7.355 9.182 ( -2.323 -0.749 -6.401) 6.851 9.232 ( 3.583 3.327 -7.980) 9.358 9.289 ( -1.121 -0.083 -3.150) 3.344 9.407 ( 0.081 -2.099 3.316) 3.925 9.436 ( -2.849 0.624 -0.554) 2.969 9.487 ( 0.712 0.828 5.574) 5.680 9.496 ( 0.309 0.495 5.501) 5.532 9.611 ( 0.678 -1.089 0.273) 1.312 9.619 ( -0.148 0.164 0.158) 0.272 9.768 ( 2.680 -5.150 -4.907) 7.602 9.808 ( 0.390 -3.341 -3.192) 4.637 9.815 ( -0.032 -4.261 -3.153) 5.301 9.872 ( -3.568 -1.404 -0.227) 3.841 10.204 ( 2.305 0.788 -1.020) 2.641 10.230 ( 0.347 1.335 -0.478) 1.460 10.276 ( 2.690 2.162 -1.974) 3.976 10.345 ( -3.361 1.503 0.751) 3.758 10.433 ( 4.427 0.826 -3.935) 5.980 10.483 ( 3.113 0.337 -4.903) 5.817 10.563 ( 3.481 -3.108 -0.048) 4.667 10.603 ( -0.110 -2.286 -0.074) 2.289 10.754 ( -2.021 2.109 0.768) 3.021 10.807 ( -4.782 0.302 -3.249) 5.789 10.825 ( -0.507 1.758 -4.822) 5.157 10.865 ( -5.193 1.709 -1.504) 5.671 10.950 ( 2.143 0.312 0.319) 2.189 10.998 ( -2.417 0.037 -1.100) 2.655 11.042 ( 0.676 -1.707 -1.960) 2.686 11.070 ( -1.684 -1.955 -1.836) 3.167 11.142 ( 2.063 2.719 -5.704) 6.648 11.186 ( -1.788 3.547 -4.962) 6.356 11.281 ( 1.843 -1.501 -0.251) 2.390 11.331 ( -2.423 -1.459 1.007) 3.002 11.374 ( 1.981 0.206 2.464) 3.168 11.398 ( 2.953 0.414 1.853) 3.511 11.414 ( -0.228 0.235 -0.448) 0.555 11.462 ( -1.118 -1.119 0.866) 1.804 11.579 ( 3.477 -0.549 0.530) 3.559 11.596 ( 3.452 0.508 0.456) 3.519 11.645 ( -3.185 -0.940 -0.353) 3.340 11.667 ( -1.747 0.664 0.414) 1.914 11.721 ( 3.426 -0.802 5.099) 6.195 11.788 ( 1.660 1.399 5.445) 5.862 11.806 ( -0.701 0.706 0.294) 1.038 11.828 ( -0.291 0.404 3.734) 3.767 11.858 ( -1.197 0.121 0.377) 1.261 11.884 ( -2.433 1.826 4.342) 5.301 12.018 ( 1.699 -2.923 1.134) 3.566 12.041 ( -0.812 -1.587 -0.102) 1.785 12.120 ( 1.518 1.880 -3.661) 4.387 12.148 ( -1.748 3.340 -0.817) 3.857 12.269 ( 3.236 -0.903 -7.548) 8.262 12.369 ( -2.486 -0.297 -7.201) 7.624 12.445 ( -1.115 -2.170 -12.153) 12.395 12.491 ( -3.070 -1.490 -12.041) 12.515 12.502 ( 0.020 -1.802 -4.542) 4.887 12.514 ( -1.733 -0.730 -5.806) 6.102 12.705 ( 3.064 1.360 -5.212) 6.197 12.763 ( -2.503 1.327 -4.971) 5.722 12.803 ( 1.402 -1.005 -3.602) 3.994 12.832 ( -1.494 -0.554 -5.192) 5.431 13.303 ( 2.213 3.246 -1.183) 4.103 13.336 ( -0.875 2.279 -1.250) 2.743 13.549 ( 2.037 -2.481 -2.184) 3.883 13.588 ( -1.680 -2.914 -3.543) 4.885 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 16.317 4.572) 16.945 1.375 ( 0.000 5.476 4.403) 7.027 1.518 ( 0.000 -5.893 6.749) 8.960 1.764 ( 0.000 -11.218 4.149) 11.961 1.943 ( 0.000 2.289 3.196) 3.931 2.025 ( 0.000 -0.675 3.946) 4.003 2.075 ( 0.000 -3.783 7.010) 7.966 2.079 ( 0.000 -8.181 3.924) 9.074 2.421 ( 0.000 27.165 11.325) 29.431 2.737 ( 0.000 -1.367 4.534) 4.735 2.747 ( 0.000 -3.005 4.718) 5.593 2.946 ( 0.000 -18.679 4.049) 19.113 2.983 ( 0.000 2.834 -3.658) 4.628 3.020 ( 0.000 0.511 -1.829) 1.899 3.393 ( 0.000 7.603 7.082) 10.390 3.502 ( 0.000 4.609 3.163) 5.590 3.546 ( 0.000 -6.353 0.452) 6.369 3.576 ( 0.000 -2.696 3.043) 4.066 3.676 ( 0.000 1.578 -4.110) 4.403 3.742 ( 0.000 -3.864 -3.004) 4.894 3.942 ( 0.000 1.676 1.659) 2.358 3.977 ( 0.000 -0.502 3.391) 3.428 4.116 ( 0.000 6.524 1.088) 6.614 4.152 ( 0.000 3.896 10.694) 11.382 4.213 ( 0.000 -1.958 -2.224) 2.963 4.256 ( 0.000 -5.072 12.470) 13.462 4.410 ( 0.000 0.879 1.112) 1.417 4.438 ( 0.000 -1.242 5.409) 5.550 4.534 ( 0.000 -0.235 0.954) 0.983 4.597 ( 0.000 -3.577 -0.061) 3.577 4.800 ( 0.000 -0.430 3.531) 3.557 4.829 ( 0.000 -3.818 3.981) 5.516 4.938 ( 0.000 8.262 0.206) 8.264 5.085 ( 0.000 -2.380 4.471) 5.065 5.092 ( 0.000 6.368 1.613) 6.569 5.157 ( 0.000 -2.051 -7.557) 7.830 5.230 ( 0.000 3.926 3.749) 5.429 5.288 ( 0.000 -0.134 4.789) 4.791 5.325 ( 0.000 8.947 2.217) 9.218 5.504 ( 0.000 -7.048 5.877) 9.177 5.534 ( 0.000 1.531 2.701) 3.104 5.535 ( 0.000 -1.241 6.762) 6.875 5.555 ( 0.000 6.944 3.732) 7.883 5.696 ( 0.000 -1.091 2.797) 3.002 5.718 ( 0.000 0.355 2.725) 2.748 5.759 ( 0.000 -1.932 5.163) 5.512 5.800 ( 0.000 -10.459 -0.685) 10.481 5.822 ( 0.000 -7.719 0.783) 7.758 5.977 ( 0.000 1.838 6.806) 7.050 6.019 ( 0.000 -1.831 3.793) 4.211 6.140 ( 0.000 5.182 -4.233) 6.691 6.170 ( 0.000 2.373 2.715) 3.606 6.240 ( 0.000 -1.725 0.315) 1.754 6.293 ( 0.000 -7.155 -5.666) 9.127 6.386 ( 0.000 2.292 2.581) 3.452 6.428 ( 0.000 -0.745 1.055) 1.291 6.487 ( 0.000 3.074 1.193) 3.297 6.557 ( 0.000 3.076 0.138) 3.079 6.594 ( 0.000 -5.249 -0.065) 5.250 6.658 ( 0.000 -3.178 0.786) 3.274 6.750 ( 0.000 1.600 -0.430) 1.657 6.826 ( 0.000 -4.367 0.740) 4.429 7.122 ( 0.000 5.421 10.298) 11.638 7.184 ( 0.000 1.151 1.151) 1.628 7.209 ( 0.000 0.927 -1.134) 1.465 7.283 ( 0.000 -4.912 0.836) 4.983 7.322 ( 0.000 2.860 -1.592) 3.273 7.412 ( 0.000 -4.985 -2.917) 5.776 7.586 ( 0.000 2.829 1.525) 3.214 7.638 ( 0.000 -1.628 0.589) 1.731 7.708 ( 0.000 5.237 -3.642) 6.378 7.719 ( 0.000 -1.234 3.741) 3.939 7.728 ( 0.000 -3.077 6.293) 7.005 7.810 ( 0.000 -4.229 -1.424) 4.463 7.931 ( 0.000 5.729 3.596) 6.764 7.973 ( 0.000 4.701 -8.384) 9.612 8.018 ( 0.000 -1.919 -0.003) 1.919 8.087 ( 0.000 -5.518 -3.430) 6.497 8.193 ( 0.000 3.497 3.963) 5.285 8.229 ( 0.000 0.445 3.489) 3.518 8.397 ( 0.000 5.382 10.316) 11.636 8.401 ( 0.000 0.179 -1.351) 1.363 8.438 ( 0.000 -1.800 -3.977) 4.365 8.528 ( 0.000 -4.869 5.210) 7.131 8.687 ( 0.000 4.739 2.418) 5.320 8.744 ( 0.000 0.488 0.827) 0.961 8.847 ( 0.000 4.399 0.104) 4.400 8.881 ( 0.000 -1.613 -1.335) 2.093 8.953 ( 0.000 7.159 3.617) 8.021 9.012 ( 0.000 4.664 -2.886) 5.485 9.032 ( 0.000 -1.721 1.074) 2.028 9.176 ( 0.000 -4.900 -7.193) 8.704 9.193 ( 0.000 6.948 -4.170) 8.103 9.325 ( 0.000 -5.983 5.304) 7.995 9.370 ( 0.000 3.761 2.323) 4.421 9.411 ( 0.000 0.771 7.709) 7.748 9.418 ( 0.000 -1.138 7.259) 7.348 9.545 ( 0.000 -9.343 -6.059) 11.136 9.567 ( 0.000 -0.761 -0.254) 0.802 9.568 ( 0.000 -2.865 -2.273) 3.657 9.665 ( 0.000 0.356 -1.743) 1.779 9.706 ( 0.000 -0.432 -1.555) 1.614 9.750 ( 0.000 2.820 -3.997) 4.892 9.860 ( 0.000 -6.083 -2.526) 6.587 10.160 ( 0.000 0.102 -2.234) 2.237 10.165 ( 0.000 -0.279 -1.689) 1.712 10.346 ( 0.000 4.570 -5.533) 7.176 10.365 ( 0.000 8.035 1.399) 8.156 10.380 ( 0.000 -0.319 -3.435) 3.450 10.431 ( 0.000 1.216 2.475) 2.758 10.446 ( 0.000 -0.240 2.336) 2.348 10.575 ( 0.000 -9.381 -1.069) 9.441 10.833 ( 0.000 0.061 1.020) 1.021 10.833 ( 0.000 -0.082 0.300) 0.311 10.948 ( 0.000 3.036 -1.488) 3.381 10.988 ( 0.000 3.197 0.654) 3.264 11.001 ( 0.000 -2.137 1.312) 2.508 11.042 ( 0.000 -1.411 1.267) 1.896 11.054 ( 0.000 -0.514 -4.062) 4.095 11.056 ( 0.000 -0.750 -10.216) 10.244 11.150 ( 0.000 1.119 -3.084) 3.281 11.165 ( 0.000 -0.374 0.243) 0.446 11.289 ( 0.000 0.904 2.843) 2.983 11.328 ( 0.000 -2.311 0.361) 2.339 11.381 ( 0.000 2.814 -3.102) 4.188 11.411 ( 0.000 1.096 2.398) 2.637 11.421 ( 0.000 0.222 -2.254) 2.265 11.427 ( 0.000 -1.529 -0.412) 1.584 11.462 ( 0.000 1.283 1.298) 1.825 11.500 ( 0.000 -2.335 1.938) 3.034 11.583 ( 0.000 2.524 -4.891) 5.504 11.647 ( 0.000 -3.410 -4.734) 5.834 11.743 ( 0.000 0.306 -0.276) 0.412 11.746 ( 0.000 0.490 2.804) 2.847 11.823 ( 0.000 -0.047 3.695) 3.695 11.836 ( 0.000 -1.423 3.964) 4.211 11.841 ( 0.000 2.499 3.128) 4.004 11.882 ( 0.000 -1.344 3.251) 3.518 12.037 ( 0.000 2.120 -2.451) 3.241 12.092 ( 0.000 -2.933 0.019) 2.933 12.138 ( 0.000 2.925 -7.189) 7.761 12.189 ( 0.000 -2.065 -4.772) 5.200 12.270 ( 0.000 4.993 -3.742) 6.239 12.382 ( 0.000 -5.087 -3.716) 6.299 12.463 ( 0.000 0.585 -4.631) 4.668 12.488 ( 0.000 -1.380 -4.265) 4.483 12.541 ( 0.000 2.784 -9.341) 9.747 12.605 ( 0.000 -3.093 -10.058) 10.523 12.672 ( 0.000 1.916 -4.212) 4.628 12.717 ( 0.000 -2.356 -2.960) 3.783 12.845 ( 0.000 1.047 -7.159) 7.235 12.862 ( 0.000 -0.610 -7.322) 7.348 13.322 ( 0.000 3.638 -0.247) 3.646 13.345 ( 0.000 0.812 0.073) 0.815 13.484 ( 0.000 -0.096 -1.597) 1.600 13.536 ( 0.000 -4.294 -4.051) 5.903 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.20 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 8.165 13.142 6.212) 16.672 1.395 ( 2.390 4.752 5.011) 7.308 1.568 ( 4.414 -4.948 7.573) 10.066 1.776 ( 0.343 -10.135 5.048) 11.327 1.893 ( -4.843 0.551 4.360) 6.540 1.961 ( -4.646 3.873 5.186) 7.967 2.002 ( -5.812 -8.156 5.079) 11.229 2.100 ( -0.500 -8.286 6.325) 10.435 2.500 ( 7.483 23.876 7.590) 26.147 2.810 ( 6.967 -1.307 3.942) 8.111 2.828 ( 6.378 -1.922 3.202) 7.391 2.955 ( 2.182 -9.779 1.896) 10.198 2.986 ( 0.794 5.014 -2.382) 5.608 3.063 ( 2.605 -4.739 -1.457) 5.601 3.368 ( -4.669 6.691 8.455) 11.750 3.468 ( -1.281 1.923 1.401) 2.702 3.509 ( -6.038 -2.011 2.534) 6.850 3.576 ( 2.009 -5.372 0.767) 5.786 3.650 ( -1.663 1.114 -2.791) 3.435 3.701 ( -2.546 -3.371 -3.828) 5.701 3.945 ( -0.033 2.427 4.509) 5.120 3.974 ( -0.125 1.472 4.893) 5.111 4.093 ( -1.833 1.357 2.094) 3.096 4.149 ( -2.980 -2.001 2.661) 4.468 4.221 ( 2.654 1.899 8.721) 9.312 4.279 ( 2.374 -1.692 5.014) 5.800 4.377 ( -0.282 2.347 5.222) 5.732 4.464 ( -0.562 -4.100 3.174) 5.216 4.615 ( 6.932 0.390 0.927) 7.004 4.641 ( 3.574 -1.357 0.157) 3.826 4.823 ( 2.485 0.290 3.829) 4.574 4.866 ( 2.646 -3.986 2.373) 5.341 4.932 ( 0.032 5.779 0.265) 5.785 4.989 ( -4.772 1.522 2.998) 5.837 5.087 ( -4.190 6.465 -0.074) 7.705 5.158 ( -2.683 -3.348 -1.166) 4.446 5.211 ( -1.573 1.749 2.209) 3.227 5.225 ( -0.528 -2.062 0.349) 2.157 5.322 ( -0.344 9.396 5.099) 10.696 5.462 ( -5.825 1.461 2.342) 6.446 5.499 ( -0.073 0.984 7.994) 8.055 5.530 ( -0.545 -0.301 4.067) 4.114 5.591 ( -1.595 -3.184 0.415) 3.586 5.642 ( -0.264 -4.108 6.933) 8.062 5.747 ( -2.145 -1.914 0.473) 2.914 5.759 ( -0.463 -1.411 1.883) 2.398 5.786 ( -0.507 -1.532 2.449) 2.933 5.860 ( 2.637 -6.511 1.186) 7.124 5.985 ( 0.388 2.168 3.496) 4.132 6.038 ( 2.101 -1.995 0.773) 2.999 6.127 ( 0.053 4.838 -3.926) 6.231 6.187 ( -0.261 3.341 1.199) 3.559 6.248 ( 1.424 -6.262 -2.020) 6.732 6.265 ( -1.677 -3.721 -1.733) 4.434 6.377 ( -2.696 2.178 3.162) 4.692 6.442 ( -0.618 -3.705 2.893) 4.741 6.451 ( 2.114 4.176 2.294) 5.212 6.534 ( 1.393 -1.913 1.614) 2.865 6.575 ( -0.261 0.874 0.625) 1.106 6.658 ( 1.024 -5.230 1.086) 5.439 6.836 ( 3.584 2.183 0.270) 4.205 6.905 ( 3.204 -4.161 2.520) 5.825 7.086 ( -3.266 4.964 5.352) 7.997 7.152 ( -3.549 3.737 6.237) 8.091 7.195 ( 0.230 -3.088 -1.637) 3.502 7.265 ( -1.112 -4.885 6.058) 7.861 7.324 ( 0.791 2.316 -3.989) 4.680 7.386 ( -1.067 -3.214 -2.622) 4.283 7.563 ( -2.054 1.459 1.761) 3.074 7.593 ( -2.761 -0.458 -0.657) 2.874 7.704 ( -1.850 -0.013 2.941) 3.475 7.733 ( -0.701 -2.899 1.390) 3.291 7.810 ( 5.425 2.968 -0.162) 6.186 7.853 ( 4.802 -0.960 -2.133) 5.341 7.955 ( 4.084 5.136 2.237) 6.933 7.992 ( 1.396 3.755 -8.005) 8.952 8.045 ( 3.083 -1.657 -1.277) 3.726 8.104 ( 1.645 -5.597 -3.111) 6.612 8.201 ( 0.850 4.486 4.563) 6.455 8.256 ( 2.061 -0.426 4.834) 5.272 8.353 ( -2.644 2.698 6.940) 7.902 8.405 ( -1.468 -2.153 3.764) 4.577 8.454 ( 2.213 2.696 -1.076) 3.650 8.528 ( -1.483 -1.698 0.608) 2.335 8.644 ( -4.549 2.617 1.728) 5.525 8.692 ( -2.866 -0.441 2.410) 3.771 8.788 ( -5.602 3.819 3.278) 7.530 8.870 ( -3.197 -2.388 3.344) 5.206 8.924 ( -1.767 4.482 1.457) 5.033 8.965 ( -1.564 5.472 -2.091) 6.063 9.030 ( 0.039 -0.327 -1.003) 1.055 9.161 ( -1.824 -5.326 -7.105) 9.065 9.250 ( 4.421 6.015 -7.108) 10.308 9.315 ( 1.386 1.417 1.428) 2.443 9.400 ( 0.451 0.607 5.858) 5.907 9.426 ( 1.915 -0.702 3.708) 4.232 9.449 ( 2.359 -0.499 6.936) 7.343 9.538 ( -1.211 -6.550 -6.230) 9.120 9.568 ( -0.558 -1.615 -1.791) 2.475 9.579 ( 0.260 -2.167 -3.865) 4.439 9.652 ( 0.615 0.132 1.014) 1.193 9.707 ( 0.450 -1.852 -0.724) 2.038 9.759 ( 0.223 1.357 -2.554) 2.901 9.849 ( -1.287 -5.377 -1.287) 5.677 10.179 ( 2.228 1.085 -1.633) 2.968 10.200 ( 3.048 -0.660 -1.722) 3.562 10.350 ( -0.297 6.653 -3.232) 7.402 10.384 ( 1.830 2.251 -3.070) 4.224 10.399 ( 0.925 0.704 -0.283) 1.197 10.430 ( 0.890 -0.243 -0.667) 1.138 10.469 ( 2.243 0.794 1.833) 3.004 10.571 ( -0.675 -6.830 -1.726) 7.077 10.812 ( -1.542 0.266 0.506) 1.645 10.820 ( -1.082 -0.706 -0.261) 1.318 10.925 ( -2.227 2.635 -1.838) 3.909 10.966 ( -2.490 -0.107 0.113) 2.495 10.971 ( -1.905 1.231 -1.218) 2.574 11.017 ( -1.451 -1.700 -3.152) 3.863 11.046 ( -1.168 0.393 -3.028) 3.269 11.064 ( -0.606 -1.145 -2.380) 2.710 11.160 ( 1.131 1.817 -2.670) 3.422 11.185 ( 1.911 -0.844 -0.321) 2.114 11.281 ( -0.191 0.829 1.500) 1.724 11.310 ( -0.412 -1.737 0.995) 2.044 11.374 ( -0.810 2.142 -0.930) 2.471 11.389 ( -0.481 0.494 -0.045) 0.691 11.428 ( 0.250 -0.066 0.191) 0.322 11.440 ( 0.426 -1.114 0.054) 1.193 11.509 ( 3.525 1.117 0.135) 3.700 11.537 ( 2.583 -1.524 -0.585) 3.055 11.626 ( 4.061 2.936 -2.896) 5.788 11.689 ( 1.565 -2.274 1.768) 3.278 11.718 ( -1.915 0.789 -1.719) 2.692 11.759 ( 1.968 -2.378 0.564) 3.138 11.808 ( -0.332 1.568 5.763) 5.981 11.839 ( -0.175 -1.081 3.358) 3.531 11.846 ( 0.607 1.134 1.552) 2.016 11.874 ( -0.472 -1.100 3.051) 3.278 12.023 ( -1.480 1.322 -0.908) 2.182 12.056 ( -2.924 -1.715 0.326) 3.405 12.145 ( 0.744 2.754 -6.741) 7.319 12.189 ( 0.223 -1.495 -4.998) 5.222 12.288 ( 0.621 4.233 -2.364) 4.888 12.391 ( 0.438 -4.715 -3.714) 6.018 12.412 ( -3.162 1.749 -6.647) 7.566 12.467 ( -2.019 -2.894 -5.179) 6.267 12.530 ( -1.561 1.359 -9.380) 9.606 12.565 ( -3.604 -1.991 -9.866) 10.690 12.689 ( 1.961 2.243 -4.586) 5.468 12.736 ( 1.568 -2.281 -3.686) 4.610 12.831 ( -1.381 1.103 -6.550) 6.784 12.849 ( -1.219 -0.675 -6.818) 6.959 13.345 ( 1.961 3.754 -0.854) 4.321 13.368 ( 1.986 1.411 -0.405) 2.469 13.481 ( -0.273 -0.745 -1.686) 1.864 13.529 ( -0.674 -4.381 -3.657) 5.747 ======================= Grid point 62 (27/45) ======================= q-point: ( 0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 12.582 7.333 7.524) 16.392 1.482 ( 5.611 4.782 5.253) 9.052 1.621 ( -2.318 1.254 5.866) 6.431 1.716 ( -9.521 -6.233 5.719) 12.736 1.792 ( 0.726 2.813 7.257) 7.817 1.876 ( -3.372 -4.610 7.383) 9.334 1.935 ( 1.034 -7.857 7.304) 10.777 2.028 ( -5.765 -11.094 7.989) 14.837 2.698 ( 11.096 18.255 1.963) 21.453 2.881 ( -4.414 10.357 -0.935) 11.297 2.974 ( 6.362 -3.586 0.325) 7.310 3.006 ( 2.872 -4.159 -0.491) 5.078 3.065 ( 6.928 0.866 3.046) 7.617 3.121 ( 5.047 -3.747 -0.264) 6.292 3.218 ( -8.268 2.598 4.515) 9.772 3.308 ( -10.911 -4.956 2.616) 12.266 3.528 ( 4.292 3.719 1.325) 5.832 3.607 ( -1.627 0.164 1.525) 2.236 3.616 ( 0.460 -3.357 -0.934) 3.515 3.656 ( -2.239 -3.553 -0.866) 4.288 3.945 ( 0.364 4.176 6.065) 7.372 3.964 ( -1.103 4.202 4.975) 6.605 4.064 ( -0.412 -4.702 3.083) 5.637 4.083 ( -2.332 -5.410 3.104) 6.659 4.304 ( 4.150 3.775 5.571) 7.906 4.322 ( 1.857 1.328 5.094) 5.582 4.376 ( -0.120 0.382 6.546) 6.558 4.424 ( -3.333 -2.382 5.220) 6.635 4.722 ( 4.274 1.735 1.197) 4.765 4.747 ( 4.669 0.364 0.440) 4.704 4.847 ( -1.753 -2.161 2.181) 3.535 4.878 ( -1.706 -3.257 1.288) 3.896 4.932 ( 1.144 5.454 0.349) 5.583 4.968 ( 0.665 3.799 1.307) 4.072 5.025 ( -0.064 2.681 -1.089) 2.895 5.072 ( -3.067 -3.452 0.555) 4.651 5.213 ( 2.564 1.304 1.722) 3.353 5.249 ( 1.754 -1.115 0.757) 2.212 5.301 ( -2.703 5.482 5.017) 7.907 5.331 ( -6.225 2.707 1.508) 6.953 5.480 ( -1.456 -1.986 4.057) 4.746 5.506 ( -4.217 0.168 1.089) 4.359 5.549 ( 1.978 -4.989 6.526) 8.449 5.601 ( -3.479 -5.039 2.869) 6.762 5.696 ( 1.462 4.452 1.698) 4.984 5.757 ( -2.964 3.731 2.681) 5.467 5.793 ( 2.500 -3.614 1.564) 4.665 5.858 ( -3.064 -4.835 1.946) 6.046 6.039 ( 4.782 2.713 -0.475) 5.519 6.095 ( 2.348 -0.181 -0.937) 2.534 6.123 ( 0.062 0.268 -2.495) 2.510 6.188 ( -1.587 -2.687 -2.291) 3.872 6.229 ( 0.938 0.651 1.797) 2.129 6.276 ( -1.386 0.249 0.895) 1.669 6.324 ( -0.141 -3.881 0.059) 3.884 6.377 ( -4.295 -5.401 0.005) 6.901 6.545 ( 4.437 4.520 3.227) 7.108 6.581 ( 0.409 5.124 1.363) 5.318 6.651 ( 7.187 -5.252 3.325) 9.502 6.707 ( 2.220 -5.959 -0.396) 6.371 6.865 ( 1.584 2.163 4.876) 5.564 6.906 ( -0.216 -1.655 8.645) 8.805 6.979 ( -6.903 1.002 7.294) 10.092 7.013 ( -7.735 -1.120 8.738) 11.724 7.266 ( 3.543 0.107 -1.019) 3.688 7.301 ( 4.113 -2.057 -1.204) 4.754 7.324 ( -1.153 0.646 -3.723) 3.951 7.368 ( -1.585 -2.700 -2.762) 4.175 7.552 ( 1.743 0.853 2.552) 3.206 7.570 ( 1.577 0.179 0.935) 1.842 7.636 ( -4.409 0.322 3.069) 5.382 7.661 ( -5.045 -1.458 1.212) 5.390 7.910 ( 4.820 3.731 0.114) 6.097 7.959 ( 3.113 0.793 -4.468) 5.504 7.992 ( 0.083 1.753 -6.161) 6.406 8.045 ( -1.073 -0.714 -4.283) 4.473 8.139 ( 8.525 2.640 -1.837) 9.112 8.208 ( 6.467 -2.552 2.732) 7.469 8.227 ( 2.250 4.173 0.185) 4.745 8.285 ( 0.643 1.198 5.068) 5.247 8.301 ( -2.449 1.535 7.334) 7.883 8.377 ( -0.634 -2.761 8.557) 9.014 8.410 ( -7.309 1.780 1.166) 7.612 8.458 ( -5.940 -1.686 0.423) 6.190 8.580 ( 1.860 4.273 2.134) 5.126 8.668 ( -3.570 1.658 4.236) 5.783 8.686 ( 0.167 -1.844 2.344) 2.987 8.760 ( -5.360 -3.443 5.164) 8.201 8.918 ( 1.008 6.913 -1.234) 7.094 8.948 ( -1.461 8.037 -0.607) 8.191 9.054 ( 2.559 -5.175 -3.908) 6.972 9.113 ( -2.809 -6.229 -5.538) 8.796 9.339 ( 3.426 6.410 -7.911) 10.743 9.352 ( 1.445 4.996 -0.618) 5.238 9.414 ( 1.467 2.714 3.763) 4.866 9.464 ( 1.317 -0.753 2.711) 3.107 9.472 ( -1.588 -1.649 1.597) 2.791 9.496 ( -1.528 0.405 -2.683) 3.114 9.549 ( 0.104 -6.585 -3.877) 7.642 9.571 ( -1.106 -3.658 -3.553) 5.218 9.693 ( 2.323 -0.582 1.407) 2.777 9.725 ( 0.075 0.629 0.633) 0.895 9.757 ( 0.905 -3.208 -0.106) 3.335 9.806 ( -2.761 -4.327 0.439) 5.151 10.243 ( 3.622 2.528 -1.315) 4.608 10.273 ( 3.291 0.787 -0.493) 3.420 10.321 ( -1.872 2.666 -2.148) 3.902 10.361 ( -3.159 -0.372 -0.719) 3.261 10.452 ( 3.826 1.262 -3.141) 5.108 10.490 ( 3.119 -0.788 -4.302) 5.372 10.510 ( 0.516 -0.943 -1.504) 1.849 10.540 ( -2.035 -2.876 -2.546) 4.347 10.793 ( 0.585 1.665 0.590) 1.861 10.816 ( 0.868 -0.217 -1.123) 1.436 10.859 ( -3.727 1.522 -1.202) 4.201 10.881 ( -4.181 -0.307 -0.398) 4.211 10.969 ( 1.090 1.563 -1.779) 2.607 11.003 ( -0.726 -0.503 -3.033) 3.159 11.008 ( -1.129 -0.515 -1.201) 1.727 11.032 ( -1.983 -1.654 -1.382) 2.929 11.202 ( 2.858 2.718 -2.620) 4.735 11.236 ( 2.248 0.042 -0.352) 2.276 11.266 ( -1.412 0.828 -1.273) 2.073 11.297 ( -1.778 -1.745 1.020) 2.692 11.382 ( 1.899 0.963 1.188) 2.439 11.400 ( 1.790 -0.328 0.043) 1.820 11.420 ( -1.234 0.314 0.769) 1.488 11.437 ( -1.106 -1.235 0.162) 1.665 11.577 ( 3.221 0.611 -0.306) 3.293 11.596 ( 3.252 -0.729 0.087) 3.334 11.641 ( -2.849 0.691 0.373) 2.955 11.665 ( -3.276 -1.174 1.734) 3.888 11.740 ( 4.285 2.838 0.962) 5.229 11.796 ( 0.468 -0.961 2.538) 2.754 11.814 ( -1.242 -0.153 0.863) 1.520 11.828 ( -0.266 -0.643 2.956) 3.037 11.872 ( 2.869 1.745 2.036) 3.927 11.907 ( 3.061 -0.487 3.533) 4.700 11.969 ( -2.912 -0.441 2.413) 3.808 11.999 ( -2.848 -2.222 0.996) 3.747 12.174 ( 2.303 2.940 -4.830) 6.105 12.215 ( 1.732 0.993 -4.463) 4.889 12.254 ( -2.033 1.395 -4.280) 4.939 12.331 ( -5.539 -3.799 -3.923) 7.778 12.418 ( 2.544 0.596 -10.343) 10.668 12.454 ( 1.234 -2.447 -6.986) 7.505 12.480 ( -3.128 0.275 -9.891) 10.378 12.495 ( -2.767 -0.990 -7.796) 8.331 12.739 ( 2.749 1.771 -5.320) 6.244 12.775 ( 2.094 -1.606 -4.635) 5.333 12.792 ( -2.364 1.315 -5.849) 6.445 12.816 ( -1.905 -0.991 -5.709) 6.100 13.386 ( 1.739 4.241 -1.531) 4.833 13.401 ( 0.598 3.792 -1.438) 4.100 13.482 ( 0.733 -3.487 -1.887) 4.032 13.508 ( -1.407 -4.518 -2.738) 5.467 ======================= Grid point 75 (28/45) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 0.000 23.150) 23.150 1.366 ( 0.000 0.000 18.702) 18.702 1.727 ( 0.000 0.000 10.211) 10.211 1.869 ( 0.000 0.000 1.296) 1.296 1.921 ( 0.000 0.000 2.405) 2.405 2.134 ( 0.000 0.000 5.211) 5.211 2.240 ( 0.000 0.000 0.531) 0.531 2.388 ( 0.000 0.000 -8.333) 8.333 2.462 ( 0.000 0.000 2.330) 2.330 2.569 ( 0.000 0.000 0.460) 0.460 2.884 ( 0.000 0.000 2.841) 2.841 2.941 ( 0.000 0.000 1.988) 1.988 3.098 ( 0.000 0.000 7.955) 7.955 3.208 ( 0.000 0.000 -2.653) 2.653 3.247 ( 0.000 0.000 -1.744) 1.744 3.504 ( 0.000 0.000 7.744) 7.744 3.534 ( 0.000 0.000 -9.668) 9.668 3.568 ( 0.000 0.000 -4.756) 4.756 3.596 ( 0.000 0.000 -4.230) 4.230 3.878 ( 0.000 0.000 -1.765) 1.765 3.880 ( 0.000 0.000 3.278) 3.278 3.943 ( 0.000 0.000 -2.714) 2.714 3.992 ( 0.000 0.000 -4.116) 4.116 4.182 ( 0.000 0.000 15.367) 15.367 4.227 ( 0.000 0.000 -5.400) 5.400 4.457 ( 0.000 0.000 8.096) 8.096 4.629 ( 0.000 0.000 3.358) 3.358 4.706 ( 0.000 0.000 3.592) 3.592 4.744 ( 0.000 0.000 2.591) 2.591 4.754 ( 0.000 0.000 12.431) 12.431 4.824 ( 0.000 0.000 -1.870) 1.870 4.842 ( 0.000 0.000 6.314) 6.314 4.874 ( 0.000 0.000 -0.216) 0.216 4.906 ( 0.000 0.000 4.790) 4.790 5.070 ( 0.000 0.000 3.354) 3.354 5.091 ( 0.000 0.000 11.834) 11.834 5.168 ( 0.000 0.000 1.259) 1.259 5.295 ( 0.000 0.000 -1.578) 1.578 5.400 ( 0.000 0.000 4.099) 4.099 5.433 ( 0.000 0.000 7.821) 7.821 5.574 ( 0.000 0.000 2.264) 2.264 5.630 ( 0.000 0.000 1.168) 1.168 5.653 ( 0.000 0.000 2.244) 2.244 5.755 ( 0.000 0.000 -5.522) 5.522 5.824 ( 0.000 0.000 -5.692) 5.692 5.914 ( 0.000 0.000 4.996) 4.996 5.976 ( 0.000 0.000 -5.305) 5.305 5.992 ( 0.000 0.000 5.870) 5.870 6.018 ( 0.000 0.000 -4.095) 4.095 6.126 ( 0.000 0.000 4.666) 4.666 6.148 ( 0.000 0.000 2.037) 2.037 6.169 ( 0.000 0.000 10.280) 10.280 6.269 ( 0.000 0.000 -1.459) 1.459 6.363 ( 0.000 0.000 0.689) 0.689 6.432 ( 0.000 0.000 7.214) 7.214 6.445 ( 0.000 0.000 -4.324) 4.324 6.486 ( 0.000 0.000 -5.505) 5.505 6.691 ( 0.000 0.000 6.750) 6.750 6.748 ( 0.000 0.000 4.989) 4.989 6.798 ( 0.000 0.000 5.187) 5.187 6.822 ( 0.000 0.000 -10.716) 10.716 6.858 ( 0.000 0.000 -4.232) 4.232 6.984 ( 0.000 0.000 8.965) 8.965 7.096 ( 0.000 0.000 -4.169) 4.169 7.192 ( 0.000 0.000 -8.568) 8.568 7.265 ( 0.000 0.000 -8.511) 8.511 7.463 ( 0.000 0.000 0.312) 0.312 7.480 ( 0.000 0.000 6.291) 6.291 7.550 ( 0.000 0.000 -3.451) 3.451 7.571 ( 0.000 0.000 -2.951) 2.951 7.582 ( 0.000 0.000 3.785) 3.785 7.597 ( 0.000 0.000 11.445) 11.445 7.764 ( 0.000 0.000 -0.315) 0.315 7.829 ( 0.000 0.000 -0.534) 0.534 7.904 ( 0.000 0.000 4.473) 4.473 8.039 ( 0.000 0.000 -0.628) 0.628 8.095 ( 0.000 0.000 4.110) 4.110 8.125 ( 0.000 0.000 9.054) 9.054 8.129 ( 0.000 0.000 -4.309) 4.309 8.264 ( 0.000 0.000 -3.994) 3.994 8.418 ( 0.000 0.000 1.711) 1.711 8.484 ( 0.000 0.000 -0.201) 0.201 8.567 ( 0.000 0.000 -0.668) 0.668 8.597 ( 0.000 0.000 18.816) 18.816 8.687 ( 0.000 0.000 6.488) 6.488 8.739 ( 0.000 0.000 10.793) 10.793 8.741 ( 0.000 0.000 10.165) 10.165 8.769 ( 0.000 0.000 -4.370) 4.370 8.873 ( 0.000 0.000 -3.428) 3.428 8.890 ( 0.000 0.000 8.241) 8.241 8.978 ( 0.000 0.000 3.871) 3.871 9.199 ( 0.000 0.000 -9.520) 9.520 9.217 ( 0.000 0.000 1.417) 1.417 9.366 ( 0.000 0.000 -3.216) 3.216 9.407 ( 0.000 0.000 -3.729) 3.729 9.535 ( 0.000 0.000 2.356) 2.356 9.553 ( 0.000 0.000 7.129) 7.129 9.585 ( 0.000 0.000 -0.047) 0.047 9.613 ( 0.000 0.000 7.912) 7.912 9.644 ( 0.000 0.000 -9.801) 9.801 9.693 ( 0.000 0.000 -2.840) 2.840 9.704 ( 0.000 0.000 12.884) 12.884 9.711 ( 0.000 0.000 -13.528) 13.528 10.013 ( 0.000 0.000 0.471) 0.471 10.102 ( 0.000 0.000 -3.608) 3.608 10.128 ( 0.000 0.000 -3.817) 3.817 10.135 ( 0.000 0.000 1.708) 1.708 10.174 ( 0.000 0.000 -4.070) 4.070 10.285 ( 0.000 0.000 0.633) 0.633 10.474 ( 0.000 0.000 -6.475) 6.475 10.494 ( 0.000 0.000 -3.155) 3.155 10.680 ( 0.000 0.000 -5.847) 5.847 10.691 ( 0.000 0.000 -7.670) 7.670 10.771 ( 0.000 0.000 0.612) 0.612 10.830 ( 0.000 0.000 -2.364) 2.364 10.838 ( 0.000 0.000 -9.926) 9.926 10.862 ( 0.000 0.000 -1.577) 1.577 10.912 ( 0.000 0.000 -13.389) 13.389 10.991 ( 0.000 0.000 -5.826) 5.826 11.075 ( 0.000 0.000 -2.985) 2.985 11.134 ( 0.000 0.000 2.810) 2.810 11.212 ( 0.000 0.000 2.420) 2.420 11.232 ( 0.000 0.000 -0.581) 0.581 11.279 ( 0.000 0.000 1.346) 1.346 11.394 ( 0.000 0.000 1.275) 1.275 11.405 ( 0.000 0.000 -4.348) 4.348 11.414 ( 0.000 0.000 1.921) 1.921 11.419 ( 0.000 0.000 -2.137) 2.137 11.472 ( 0.000 0.000 1.680) 1.680 11.559 ( 0.000 0.000 -1.103) 1.103 11.605 ( 0.000 0.000 5.742) 5.742 11.647 ( 0.000 0.000 -7.524) 7.524 11.780 ( 0.000 0.000 2.666) 2.666 11.782 ( 0.000 0.000 -1.494) 1.494 11.832 ( 0.000 0.000 6.697) 6.697 11.836 ( 0.000 0.000 -1.288) 1.288 11.857 ( 0.000 0.000 -2.350) 2.350 11.920 ( 0.000 0.000 -4.389) 4.389 11.996 ( 0.000 0.000 4.378) 4.378 12.015 ( 0.000 0.000 6.302) 6.302 12.058 ( 0.000 0.000 -2.025) 2.025 12.198 ( 0.000 0.000 3.531) 3.531 12.201 ( 0.000 0.000 -6.250) 6.250 12.352 ( 0.000 0.000 -1.229) 1.229 12.368 ( 0.000 0.000 -0.358) 0.358 12.456 ( 0.000 0.000 -5.692) 5.692 12.459 ( 0.000 0.000 -10.091) 10.091 12.495 ( 0.000 0.000 -0.666) 0.666 12.526 ( 0.000 0.000 -1.203) 1.203 12.711 ( 0.000 0.000 -7.197) 7.197 12.717 ( 0.000 0.000 -4.660) 4.660 12.744 ( 0.000 0.000 -5.146) 5.146 13.212 ( 0.000 0.000 1.575) 1.575 13.289 ( 0.000 0.000 -1.290) 1.290 13.482 ( 0.000 0.000 -3.825) 3.825 13.523 ( 0.000 0.000 -7.023) 7.023 ======================= Grid point 76 (29/45) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 1.626 0.000 16.354) 16.435 1.410 ( 10.164 0.000 20.136) 22.555 1.751 ( -1.169 0.000 5.582) 5.704 1.901 ( -1.205 0.000 0.259) 1.232 1.936 ( 5.774 0.000 3.127) 6.566 2.168 ( 2.228 0.000 2.018) 3.006 2.230 ( 3.737 0.000 7.131) 8.051 2.293 ( -9.578 0.000 -2.836) 9.989 2.516 ( 0.472 0.000 3.183) 3.218 2.565 ( 1.582 0.000 0.354) 1.621 2.883 ( -2.740 0.000 -1.830) 3.296 2.942 ( 5.463 0.000 2.171) 5.879 3.131 ( -4.260 0.000 -7.091) 8.272 3.195 ( 5.720 0.000 13.071) 14.268 3.272 ( 1.481 0.000 -3.720) 4.004 3.437 ( -5.988 0.000 -2.825) 6.621 3.521 ( 0.839 0.000 8.807) 8.847 3.563 ( -1.668 0.000 -6.379) 6.594 3.707 ( 8.687 0.000 -4.392) 9.734 3.819 ( -2.804 0.000 1.064) 3.000 3.885 ( -3.243 0.000 -0.483) 3.278 3.968 ( -1.202 0.000 -3.009) 3.241 3.980 ( 4.349 0.000 -2.454) 4.994 4.203 ( -2.445 0.000 -4.841) 5.423 4.204 ( 2.587 0.000 15.342) 15.559 4.494 ( 1.161 0.000 7.046) 7.141 4.667 ( -5.076 0.000 2.803) 5.798 4.682 ( 4.171 0.000 3.706) 5.580 4.712 ( 0.497 0.000 3.848) 3.880 4.765 ( 1.220 0.000 9.642) 9.719 4.785 ( -1.731 0.000 0.554) 1.818 4.881 ( 0.663 0.000 2.429) 2.518 4.898 ( 1.619 0.000 2.042) 2.606 4.910 ( 0.896 0.000 3.636) 3.744 5.045 ( -2.463 0.000 2.515) 3.521 5.079 ( -0.369 0.000 10.837) 10.843 5.197 ( 1.341 0.000 3.611) 3.852 5.293 ( 0.041 0.000 -1.319) 1.320 5.347 ( -4.411 0.000 3.720) 5.770 5.394 ( -0.591 0.000 5.490) 5.521 5.515 ( -3.888 0.000 1.162) 4.058 5.598 ( -2.908 0.000 -1.308) 3.189 5.643 ( -3.645 0.000 -0.929) 3.761 5.744 ( -1.073 0.000 -3.410) 3.575 5.815 ( -1.070 0.000 -2.838) 3.033 5.844 ( -10.634 0.000 0.416) 10.642 5.932 ( -2.424 0.000 2.324) 3.358 5.968 ( -0.892 0.000 -0.862) 1.240 6.001 ( 1.428 0.000 0.904) 1.690 6.074 ( -3.117 0.000 3.756) 4.881 6.124 ( 1.940 0.000 3.689) 4.168 6.232 ( 2.869 0.000 5.141) 5.888 6.321 ( 2.126 0.000 1.417) 2.555 6.383 ( 1.213 0.000 0.454) 1.295 6.445 ( 1.482 0.000 -6.621) 6.784 6.503 ( 0.341 0.000 -0.861) 0.925 6.508 ( 6.223 0.000 8.849) 10.818 6.717 ( -3.192 0.000 2.426) 4.009 6.736 ( 4.936 0.000 5.807) 7.621 6.773 ( -3.066 0.000 -6.883) 7.535 6.831 ( -1.703 0.000 -1.094) 2.024 6.868 ( 5.267 0.000 4.401) 6.864 7.072 ( 7.724 0.000 4.817) 9.103 7.149 ( 3.730 0.000 -4.489) 5.837 7.184 ( -1.458 0.000 -5.334) 5.530 7.272 ( 0.282 0.000 -6.070) 6.077 7.433 ( -2.688 0.000 -0.017) 2.688 7.456 ( -6.999 0.000 1.255) 7.111 7.518 ( 3.490 0.000 2.930) 4.557 7.613 ( 3.374 0.000 -3.571) 4.913 7.630 ( 1.551 0.000 -1.214) 1.970 7.656 ( 5.857 0.000 10.547) 12.065 7.704 ( -4.060 0.000 -1.269) 4.254 7.846 ( 1.346 0.000 1.320) 1.886 7.933 ( 3.821 0.000 3.493) 5.177 8.014 ( -1.847 0.000 1.306) 2.262 8.054 ( -3.832 0.000 2.784) 4.736 8.080 ( -2.974 0.000 4.784) 5.633 8.159 ( 1.545 0.000 -4.910) 5.147 8.332 ( 5.173 0.000 -0.123) 5.175 8.343 ( -6.993 0.000 3.403) 7.777 8.497 ( 0.862 0.000 -0.223) 0.891 8.563 ( -0.329 0.000 0.952) 1.007 8.568 ( -1.901 0.000 16.760) 16.867 8.665 ( -4.055 0.000 8.970) 9.844 8.666 ( -2.005 0.000 4.445) 4.876 8.777 ( 2.865 0.000 9.702) 10.116 8.849 ( 5.305 0.000 -2.874) 6.033 8.905 ( 3.087 0.000 -1.932) 3.641 8.927 ( 2.216 0.000 9.491) 9.746 8.977 ( -0.083 0.000 3.708) 3.708 9.150 ( -5.226 0.000 2.138) 5.646 9.156 ( -3.743 0.000 -8.229) 9.040 9.305 ( -4.950 0.000 -0.010) 4.950 9.428 ( 0.490 0.000 -2.026) 2.084 9.504 ( -2.359 0.000 0.377) 2.389 9.575 ( 1.582 0.000 7.233) 7.404 9.598 ( 1.268 0.000 0.818) 1.509 9.616 ( -0.214 0.000 0.690) 0.723 9.648 ( 1.143 0.000 -8.934) 9.007 9.663 ( -1.817 0.000 -0.207) 1.829 9.722 ( 3.162 0.000 0.112) 3.164 9.757 ( 1.782 0.000 -0.709) 1.918 9.985 ( -3.364 0.000 2.082) 3.956 10.119 ( 1.739 0.000 -4.807) 5.112 10.120 ( 0.454 0.000 -6.540) 6.556 10.166 ( 0.936 0.000 -0.491) 1.057 10.240 ( 7.197 0.000 -3.032) 7.810 10.319 ( 3.019 0.000 1.636) 3.434 10.396 ( -5.051 0.000 -7.034) 8.660 10.554 ( 3.050 0.000 -4.885) 5.759 10.654 ( -7.227 0.000 -3.125) 7.874 10.672 ( -1.224 0.000 -6.675) 6.786 10.681 ( 0.058 0.000 -5.577) 5.577 10.817 ( -1.585 0.000 -2.666) 3.102 10.866 ( 0.086 0.000 -9.067) 9.068 10.877 ( 1.693 0.000 -2.577) 3.084 10.925 ( 0.663 0.000 -8.925) 8.949 10.963 ( -2.531 0.000 -6.200) 6.697 11.006 ( -7.416 0.000 -4.397) 8.621 11.102 ( -1.680 0.000 2.852) 3.310 11.220 ( -0.296 0.000 2.005) 2.027 11.258 ( 3.613 0.000 0.159) 3.616 11.286 ( 0.917 0.000 2.242) 2.422 11.372 ( 0.317 0.000 -1.553) 1.585 11.409 ( -0.983 0.000 1.478) 1.775 11.423 ( 0.538 0.000 0.619) 0.820 11.471 ( 2.875 0.000 -0.773) 2.977 11.517 ( 4.101 0.000 1.457) 4.352 11.588 ( 2.527 0.000 -1.733) 3.064 11.619 ( 1.216 0.000 5.435) 5.570 11.633 ( -1.542 0.000 -6.707) 6.882 11.787 ( 0.525 0.000 -0.627) 0.818 11.823 ( 3.253 0.000 -1.218) 3.474 11.851 ( 1.541 0.000 7.539) 7.695 11.866 ( 3.578 0.000 2.435) 4.328 11.878 ( 2.161 0.000 -4.791) 5.256 11.921 ( -0.057 0.000 -3.120) 3.120 11.972 ( -2.030 0.000 5.249) 5.627 12.020 ( 0.461 0.000 4.480) 4.504 12.068 ( 0.915 0.000 -2.485) 2.648 12.168 ( -2.727 0.000 3.223) 4.222 12.196 ( -0.492 0.000 -7.271) 7.288 12.272 ( -5.542 0.000 1.319) 5.697 12.366 ( -1.933 0.000 -3.467) 3.970 12.418 ( -3.691 0.000 -6.712) 7.660 12.460 ( 0.401 0.000 -4.285) 4.303 12.493 ( -0.253 0.000 -0.606) 0.657 12.539 ( 1.385 0.000 -2.917) 3.229 12.686 ( -1.954 0.000 -6.938) 7.208 12.726 ( 0.438 0.000 -5.128) 5.147 12.743 ( -0.050 0.000 -5.034) 5.034 13.219 ( 0.769 0.000 0.763) 1.083 13.289 ( -0.268 0.000 -1.669) 1.691 13.483 ( 0.493 0.000 -4.269) 4.298 13.531 ( 0.407 0.000 -6.265) 6.278 ======================= Grid point 77 (30/45) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 6.878 0.000 11.231) 13.170 1.630 ( -9.054 0.000 6.724) 11.277 1.684 ( 16.053 0.000 13.794) 21.165 1.919 ( 2.674 0.000 -2.817) 3.884 1.973 ( -1.866 0.000 -2.393) 3.034 2.020 ( -16.299 0.000 6.468) 17.535 2.336 ( 12.330 0.000 7.104) 14.230 2.347 ( 6.290 0.000 6.032) 8.715 2.463 ( -4.211 0.000 4.267) 5.994 2.551 ( -5.872 0.000 3.241) 6.707 2.891 ( 3.513 0.000 -6.407) 7.307 3.003 ( -6.840 0.000 -7.085) 9.848 3.087 ( 8.104 0.000 0.198) 8.106 3.227 ( -5.363 0.000 -3.299) 6.297 3.356 ( 8.420 0.000 13.273) 15.718 3.416 ( 3.246 0.000 -1.702) 3.665 3.492 ( -4.284 0.000 11.565) 12.333 3.499 ( -4.287 0.000 -4.208) 6.007 3.781 ( -0.505 0.000 1.385) 1.474 3.810 ( -3.266 0.000 0.441) 3.295 3.870 ( 6.354 0.000 -2.951) 7.006 3.950 ( -1.684 0.000 -2.103) 2.694 4.065 ( 3.797 0.000 -3.034) 4.861 4.138 ( -3.601 0.000 -3.878) 5.292 4.301 ( 6.899 0.000 13.635) 15.281 4.442 ( -5.826 0.000 9.940) 11.522 4.604 ( 0.042 0.000 -0.487) 0.489 4.668 ( -4.857 0.000 -2.625) 5.520 4.746 ( 2.078 0.000 6.629) 6.947 4.778 ( -0.834 0.000 5.883) 5.941 4.804 ( 3.508 0.000 6.003) 6.953 4.877 ( -3.207 0.000 3.858) 5.017 4.903 ( 1.912 0.000 3.817) 4.269 4.956 ( -1.538 0.000 4.619) 4.868 5.017 ( 5.897 0.000 -2.085) 6.254 5.112 ( 3.866 0.000 5.847) 7.009 5.193 ( -2.510 0.000 4.975) 5.573 5.197 ( -8.716 0.000 -0.455) 8.727 5.351 ( 4.061 0.000 1.619) 4.371 5.422 ( 2.400 0.000 -1.505) 2.833 5.475 ( -8.095 0.000 -1.898) 8.315 5.505 ( 0.099 0.000 -2.654) 2.656 5.540 ( -1.001 0.000 4.573) 4.681 5.658 ( -6.453 0.000 2.956) 7.098 5.745 ( 1.826 0.000 2.810) 3.351 5.837 ( -5.885 0.000 0.782) 5.937 5.837 ( 2.504 0.000 -2.806) 3.761 5.906 ( -4.089 0.000 -1.069) 4.227 6.040 ( 1.370 0.000 -0.501) 1.459 6.051 ( -0.025 0.000 0.232) 0.234 6.211 ( 5.220 0.000 2.337) 5.720 6.299 ( 4.103 0.000 3.256) 5.238 6.301 ( -3.317 0.000 1.583) 3.675 6.376 ( -2.514 0.000 1.150) 2.765 6.485 ( 1.531 0.000 -1.493) 2.139 6.502 ( -0.338 0.000 0.957) 1.015 6.604 ( 2.475 0.000 4.634) 5.253 6.654 ( -2.831 0.000 4.085) 4.970 6.751 ( 1.930 0.000 -1.947) 2.742 6.800 ( -1.891 0.000 2.086) 2.815 6.901 ( 10.462 0.000 1.650) 10.591 6.993 ( 6.937 0.000 3.589) 7.811 7.102 ( -6.306 0.000 1.251) 6.429 7.167 ( -4.217 0.000 2.160) 4.738 7.218 ( 2.997 0.000 -3.513) 4.618 7.263 ( -1.329 0.000 -3.706) 3.937 7.325 ( -0.264 0.000 -0.533) 0.595 7.382 ( -2.862 0.000 -3.455) 4.487 7.600 ( 4.088 0.000 0.141) 4.091 7.626 ( -0.274 0.000 1.195) 1.226 7.647 ( -1.837 0.000 0.797) 2.003 7.654 ( -0.353 0.000 -1.975) 2.006 7.811 ( 8.131 0.000 4.538) 9.312 7.912 ( 4.091 0.000 2.112) 4.604 7.952 ( -5.996 0.000 1.793) 6.258 7.979 ( -1.772 0.000 3.554) 3.972 8.017 ( 3.695 0.000 4.661) 5.948 8.073 ( 4.079 0.000 -1.690) 4.415 8.154 ( -2.444 0.000 -4.705) 5.302 8.166 ( -9.499 0.000 5.931) 11.199 8.437 ( 4.709 0.000 0.898) 4.794 8.501 ( -1.160 0.000 -0.203) 1.178 8.551 ( 0.526 0.000 13.740) 13.750 8.561 ( 0.910 0.000 3.483) 3.600 8.590 ( -3.123 0.000 9.816) 10.301 8.611 ( -3.213 0.000 2.187) 3.887 8.850 ( 3.763 0.000 9.629) 10.338 8.906 ( -0.959 0.000 6.004) 6.080 8.974 ( 1.617 0.000 7.912) 8.076 8.982 ( 1.130 0.000 -3.007) 3.212 8.984 ( 4.295 0.000 -0.223) 4.300 9.072 ( -4.278 0.000 -5.755) 7.171 9.076 ( 0.355 0.000 3.049) 3.070 9.178 ( -7.016 0.000 1.205) 7.119 9.435 ( 0.645 0.000 -0.715) 0.962 9.460 ( -1.824 0.000 0.262) 1.842 9.599 ( 1.056 0.000 2.197) 2.438 9.611 ( 0.729 0.000 -2.271) 2.385 9.623 ( -0.074 0.000 -1.833) 1.835 9.627 ( -1.691 0.000 -0.593) 1.792 9.705 ( 3.695 0.000 -2.347) 4.377 9.763 ( -1.430 0.000 -0.091) 1.433 9.802 ( 4.523 0.000 1.767) 4.856 9.898 ( -4.792 0.000 1.831) 5.130 10.144 ( 1.641 0.000 -5.449) 5.690 10.170 ( -0.600 0.000 -2.900) 2.961 10.178 ( 4.144 0.000 -7.275) 8.372 10.282 ( -5.876 0.000 -8.353) 10.213 10.356 ( 3.796 0.000 -4.119) 5.602 10.410 ( 1.570 0.000 -0.317) 1.601 10.576 ( 3.983 0.000 -3.319) 5.184 10.601 ( 1.726 0.000 -7.403) 7.602 10.636 ( -1.851 0.000 -8.485) 8.685 10.717 ( 3.098 0.000 -0.515) 3.141 10.777 ( -11.720 0.000 -3.788) 12.317 10.779 ( -2.496 0.000 0.255) 2.509 10.870 ( 0.687 0.000 -11.370) 11.390 10.905 ( -2.718 0.000 -8.449) 8.875 10.917 ( 1.051 0.000 -4.131) 4.263 10.934 ( -0.513 0.000 -4.680) 4.708 11.115 ( 2.352 0.000 3.274) 4.031 11.176 ( -3.208 0.000 3.916) 5.062 11.321 ( 2.389 0.000 2.765) 3.655 11.346 ( 3.622 0.000 -4.111) 5.479 11.372 ( -2.453 0.000 2.083) 3.218 11.381 ( -0.213 0.000 -3.433) 3.439 11.445 ( 2.017 0.000 2.399) 3.134 11.492 ( -1.332 0.000 0.192) 1.346 11.603 ( 3.543 0.000 -0.617) 3.596 11.611 ( 0.173 0.000 -0.854) 0.871 11.628 ( -0.670 0.000 4.357) 4.408 11.632 ( 0.913 0.000 -2.574) 2.732 11.809 ( 2.026 0.000 2.071) 2.897 11.861 ( -1.831 0.000 4.267) 4.643 11.880 ( 2.670 0.000 -0.218) 2.678 11.915 ( 0.126 0.000 -2.809) 2.811 11.918 ( 0.566 0.000 4.969) 5.001 11.938 ( -1.057 0.000 5.327) 5.431 11.987 ( 7.375 0.000 -3.643) 8.225 12.041 ( 1.989 0.000 1.759) 2.655 12.101 ( -3.556 0.000 2.116) 4.138 12.105 ( 2.832 0.000 -1.369) 3.145 12.133 ( -5.530 0.000 -4.527) 7.147 12.196 ( -2.842 0.000 -9.512) 9.928 12.307 ( -1.693 0.000 0.184) 1.703 12.340 ( -3.494 0.000 -1.624) 3.853 12.471 ( 0.628 0.000 -2.105) 2.197 12.484 ( -0.622 0.000 -0.885) 1.082 12.581 ( 2.577 0.000 -5.543) 6.113 12.637 ( -2.807 0.000 -6.852) 7.405 12.734 ( 0.388 0.000 -5.071) 5.086 12.741 ( -0.222 0.000 -5.019) 5.024 13.242 ( 1.439 0.000 -0.841) 1.667 13.272 ( -1.352 0.000 -1.842) 2.285 13.505 ( 1.429 0.000 -4.709) 4.921 13.529 ( -0.689 0.000 -5.410) 5.454 ======================= Grid point 80 (31/45) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.000 -5.902 16.031) 17.083 1.415 ( 0.000 4.204 14.306) 14.911 1.796 ( 0.000 -8.824 0.697) 8.852 1.915 ( 0.000 0.378 3.129) 3.152 1.943 ( 0.000 6.419 3.680) 7.399 2.078 ( 0.000 -4.631 -1.607) 4.901 2.214 ( 0.000 13.197 10.846) 17.082 2.361 ( 0.000 -8.215 4.132) 9.195 2.374 ( 0.000 -8.062 4.418) 9.193 2.684 ( 0.000 10.408 -7.038) 12.564 2.856 ( 0.000 -1.646 4.168) 4.481 2.980 ( 0.000 1.710 0.556) 1.798 2.987 ( 0.000 -7.080 6.368) 9.522 3.179 ( 0.000 -3.539 -3.487) 4.969 3.352 ( 0.000 5.701 0.231) 5.705 3.505 ( 0.000 2.137 3.621) 4.204 3.543 ( 0.000 -2.021 -7.863) 8.119 3.554 ( 0.000 0.742 -3.443) 3.522 3.594 ( 0.000 -0.349 -1.153) 1.204 3.838 ( 0.000 -3.640 1.999) 4.153 3.895 ( 0.000 1.767 -1.070) 2.065 3.996 ( 0.000 4.402 -2.630) 5.128 4.015 ( 0.000 1.612 -2.698) 3.143 4.160 ( 0.000 -0.396 4.790) 4.806 4.309 ( 0.000 5.665 4.033) 6.954 4.436 ( 0.000 -1.084 11.584) 11.635 4.592 ( 0.000 -3.249 0.263) 3.260 4.672 ( 0.000 -5.416 7.155) 8.974 4.701 ( 0.000 -3.459 9.833) 10.424 4.703 ( 0.000 -4.172 5.797) 7.142 4.786 ( 0.000 3.231 1.052) 3.398 4.858 ( 0.000 2.675 4.359) 5.114 4.899 ( 0.000 1.319 -2.457) 2.789 5.031 ( 0.000 3.445 0.810) 3.539 5.083 ( 0.000 2.192 4.558) 5.058 5.182 ( 0.000 3.501 5.697) 6.687 5.209 ( 0.000 8.532 6.623) 10.801 5.241 ( 0.000 -3.979 -0.994) 4.101 5.372 ( 0.000 -1.330 3.890) 4.111 5.475 ( 0.000 3.577 5.669) 6.703 5.588 ( 0.000 1.170 2.633) 2.881 5.597 ( 0.000 -1.927 -0.991) 2.167 5.690 ( 0.000 0.053 1.714) 1.714 5.728 ( 0.000 -0.778 -1.892) 2.046 5.814 ( 0.000 -1.301 -3.238) 3.489 5.894 ( 0.000 -1.594 5.352) 5.584 5.929 ( 0.000 -4.342 -3.180) 5.382 5.968 ( 0.000 -5.214 -3.156) 6.095 6.008 ( 0.000 1.451 3.048) 3.376 6.116 ( 0.000 -0.728 4.173) 4.236 6.135 ( 0.000 -2.550 7.457) 7.881 6.172 ( 0.000 2.076 2.085) 2.942 6.267 ( 0.000 -0.480 -0.524) 0.711 6.345 ( 0.000 -8.198 -3.660) 8.978 6.376 ( 0.000 2.625 0.740) 2.728 6.448 ( 0.000 -1.267 3.390) 3.619 6.532 ( 0.000 6.118 -3.026) 6.826 6.632 ( 0.000 -5.935 5.574) 8.142 6.646 ( 0.000 -3.829 6.418) 7.474 6.726 ( 0.000 -4.621 0.358) 4.635 6.886 ( 0.000 2.675 -3.630) 4.510 6.889 ( 0.000 -7.614 1.578) 7.776 6.966 ( 0.000 5.560 -5.213) 7.622 7.148 ( 0.000 2.372 -0.992) 2.571 7.213 ( 0.000 1.407 -4.724) 4.929 7.226 ( 0.000 -0.502 -0.116) 0.516 7.421 ( 0.000 -2.324 3.278) 4.018 7.440 ( 0.000 -2.060 -0.575) 2.138 7.526 ( 0.000 0.283 -4.294) 4.304 7.573 ( 0.000 3.973 -6.625) 7.724 7.652 ( 0.000 3.066 11.020) 11.438 7.719 ( 0.000 5.209 4.230) 6.710 7.838 ( 0.000 1.396 0.302) 1.429 7.883 ( 0.000 -1.041 4.019) 4.152 7.887 ( 0.000 7.788 2.301) 8.121 7.948 ( 0.000 -5.127 2.630) 5.762 7.990 ( 0.000 -5.363 -1.285) 5.515 8.131 ( 0.000 -7.703 -2.417) 8.073 8.217 ( 0.000 5.425 5.964) 8.062 8.249 ( 0.000 5.104 3.021) 5.931 8.454 ( 0.000 0.031 -3.132) 3.132 8.492 ( 0.000 -4.513 0.516) 4.542 8.569 ( 0.000 6.290 3.128) 7.024 8.608 ( 0.000 0.943 16.302) 16.330 8.680 ( 0.000 1.723 5.330) 5.601 8.765 ( 0.000 1.885 6.047) 6.334 8.806 ( 0.000 4.352 6.983) 8.228 8.851 ( 0.000 1.893 -0.728) 2.028 8.877 ( 0.000 1.279 4.551) 4.728 8.904 ( 0.000 5.844 -3.950) 7.054 9.019 ( 0.000 2.061 7.452) 7.732 9.155 ( 0.000 -3.299 -5.393) 6.322 9.155 ( 0.000 -5.641 0.725) 5.687 9.341 ( 0.000 0.323 0.500) 0.595 9.424 ( 0.000 0.673 -6.783) 6.817 9.502 ( 0.000 -3.992 0.593) 4.036 9.526 ( 0.000 -0.584 -0.715) 0.923 9.578 ( 0.000 -5.712 -8.923) 10.594 9.587 ( 0.000 -3.219 1.407) 3.513 9.633 ( 0.000 -2.195 2.843) 3.592 9.673 ( 0.000 1.442 0.626) 1.572 9.691 ( 0.000 0.426 0.406) 0.588 9.741 ( 0.000 2.775 10.090) 10.465 9.965 ( 0.000 -4.465 0.383) 4.481 10.074 ( 0.000 -0.361 -6.185) 6.196 10.113 ( 0.000 -1.215 -4.768) 4.920 10.177 ( 0.000 1.592 -4.496) 4.769 10.237 ( 0.000 6.028 2.405) 6.491 10.288 ( 0.000 0.066 -1.398) 1.399 10.467 ( 0.000 -0.475 -5.247) 5.269 10.480 ( 0.000 -1.121 -4.047) 4.200 10.703 ( 0.000 -1.906 -1.797) 2.620 10.706 ( 0.000 2.290 -7.136) 7.495 10.752 ( 0.000 0.350 -6.135) 6.145 10.828 ( 0.000 -0.085 -2.743) 2.744 10.838 ( 0.000 -0.971 -8.579) 8.634 10.895 ( 0.000 2.753 -1.483) 3.127 10.927 ( 0.000 2.751 -9.859) 10.235 11.016 ( 0.000 1.722 -5.826) 6.075 11.064 ( 0.000 -0.779 -2.058) 2.201 11.110 ( 0.000 -1.899 2.265) 2.956 11.201 ( 0.000 -1.127 1.530) 1.900 11.245 ( 0.000 1.468 -2.149) 2.603 11.314 ( 0.000 3.005 0.892) 3.134 11.366 ( 0.000 -1.863 0.323) 1.891 11.387 ( 0.000 -1.811 -5.598) 5.883 11.415 ( 0.000 -0.506 -0.595) 0.781 11.441 ( 0.000 1.673 2.752) 3.221 11.445 ( 0.000 -1.815 -1.221) 2.188 11.528 ( 0.000 -1.916 0.218) 1.928 11.604 ( 0.000 -1.165 5.191) 5.320 11.635 ( 0.000 -1.330 -2.446) 2.784 11.762 ( 0.000 0.091 1.168) 1.171 11.817 ( 0.000 1.572 -0.572) 1.673 11.824 ( 0.000 -0.288 3.495) 3.507 11.850 ( 0.000 -0.306 -4.941) 4.950 11.898 ( 0.000 4.597 4.380) 6.349 11.935 ( 0.000 1.631 -4.012) 4.331 12.002 ( 0.000 0.594 3.241) 3.295 12.013 ( 0.000 -0.259 5.399) 5.406 12.097 ( 0.000 3.535 -2.031) 4.077 12.168 ( 0.000 -2.835 -1.861) 3.391 12.174 ( 0.000 -2.358 -0.609) 2.435 12.363 ( 0.000 0.769 -0.358) 0.848 12.374 ( 0.000 0.642 -0.963) 1.158 12.419 ( 0.000 -2.783 -8.175) 8.636 12.463 ( 0.000 -0.636 -4.832) 4.874 12.482 ( 0.000 -1.192 -0.721) 1.393 12.533 ( 0.000 1.094 -3.728) 3.885 12.706 ( 0.000 -1.573 -4.154) 4.442 12.718 ( 0.000 0.113 -5.028) 5.030 12.719 ( 0.000 -0.992 -7.885) 7.947 13.243 ( 0.000 2.787 0.647) 2.861 13.301 ( 0.000 1.050 -1.415) 1.762 13.464 ( 0.000 -1.591 -3.726) 4.052 13.499 ( 0.000 -2.153 -6.464) 6.813 ======================= Grid point 81 (32/45) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 10.662 -4.661 13.542) 17.854 1.443 ( 2.892 3.787 13.607) 14.417 1.806 ( 0.694 -5.339 0.970) 5.470 1.869 ( -5.672 2.568 3.538) 7.162 1.999 ( 0.563 -1.045 -0.746) 1.402 2.043 ( 4.044 -3.469 3.506) 6.378 2.280 ( 5.647 11.056 9.442) 15.598 2.290 ( -7.323 -6.412 5.870) 11.366 2.411 ( 2.248 -8.562 2.714) 9.259 2.682 ( -0.519 10.712 -4.270) 11.543 2.907 ( 2.825 -0.275 2.254) 3.624 2.931 ( 1.036 0.288 0.085) 1.079 3.089 ( 6.630 -4.995 5.874) 10.170 3.134 ( -3.543 -2.044 -4.359) 5.977 3.360 ( -2.079 3.572 -3.145) 5.193 3.437 ( -2.044 2.275 5.232) 6.061 3.525 ( -3.042 -1.287 -3.080) 4.516 3.571 ( 1.495 0.785 -1.120) 2.026 3.667 ( 4.872 -2.684 -1.332) 5.719 3.780 ( -2.978 -4.277 0.804) 5.273 3.929 ( 1.259 0.541 -1.505) 2.035 3.955 ( -2.614 5.646 -1.479) 6.395 4.033 ( 1.978 1.368 -1.480) 2.824 4.168 ( -0.709 -1.237 -1.145) 1.828 4.301 ( 0.901 6.398 10.433) 12.271 4.482 ( 1.856 -0.945 9.397) 9.625 4.577 ( -0.380 -4.569 4.646) 6.527 4.669 ( -1.825 -1.857 6.503) 7.005 4.712 ( 3.005 -3.463 4.375) 6.338 4.730 ( 0.694 -0.687 3.533) 3.665 4.811 ( 3.574 0.932 3.228) 4.906 4.880 ( 2.100 1.532 2.044) 3.307 4.919 ( 0.828 3.159 -0.207) 3.273 4.985 ( -2.541 2.582 3.871) 5.302 5.041 ( -4.945 2.071 4.889) 7.255 5.198 ( -0.291 6.909 4.266) 8.125 5.211 ( 1.062 2.193 4.660) 5.259 5.240 ( -0.274 -4.103 -0.931) 4.216 5.315 ( -3.440 -1.216 3.999) 5.414 5.435 ( -2.674 3.500 4.844) 6.547 5.517 ( -3.930 0.312 -0.311) 3.954 5.574 ( -2.604 -1.551 -2.704) 4.062 5.676 ( -3.721 0.913 0.263) 3.840 5.727 ( -0.659 -0.612 -1.552) 1.794 5.818 ( 0.183 -0.073 -1.184) 1.201 5.826 ( -9.443 -2.234 0.293) 9.708 5.904 ( -0.939 -2.018 4.138) 4.699 5.960 ( 2.287 -2.522 -2.860) 4.447 6.003 ( -0.746 1.270 2.416) 2.830 6.075 ( -2.869 -0.165 3.350) 4.413 6.107 ( 1.113 -1.680 2.707) 3.375 6.230 ( 2.314 -0.484 3.410) 4.149 6.308 ( 0.442 -2.765 0.515) 2.847 6.335 ( 2.559 -6.566 -1.295) 7.165 6.376 ( -0.451 -0.082 -0.334) 0.567 6.496 ( 1.226 0.111 2.995) 3.238 6.519 ( 2.667 -0.159 3.764) 4.616 6.659 ( -0.399 -4.215 4.147) 5.927 6.696 ( 3.284 -3.227 4.211) 6.239 6.763 ( 4.497 -0.689 -1.388) 4.757 6.832 ( -2.069 -4.888 2.413) 5.831 6.871 ( -0.759 5.123 -6.045) 7.960 7.082 ( 8.620 -0.699 -1.025) 8.709 7.170 ( -1.448 0.781 -1.602) 2.296 7.206 ( 2.429 -1.133 -3.595) 4.484 7.241 ( 0.052 3.112 3.123) 4.409 7.392 ( -1.966 -2.965 -0.535) 3.597 7.436 ( -1.786 -0.736 2.245) 2.962 7.515 ( -0.376 1.312 -3.234) 3.510 7.620 ( 3.503 1.854 -3.856) 5.530 7.676 ( 1.534 1.731 7.574) 7.920 7.736 ( 1.349 5.505 1.816) 5.952 7.775 ( -4.726 2.984 -1.213) 5.720 7.848 ( 0.274 -0.138 1.547) 1.577 7.915 ( 1.933 -2.101 5.852) 6.512 7.978 ( 2.434 -0.624 2.297) 3.404 8.007 ( 0.295 -1.551 0.091) 1.582 8.098 ( -2.486 -1.861 -1.977) 3.682 8.229 ( 0.146 3.238 2.244) 3.942 8.263 ( 1.461 2.580 1.932) 3.539 8.449 ( -0.188 0.988 -0.685) 1.217 8.496 ( -0.674 -2.256 1.904) 3.028 8.527 ( -3.927 3.577 5.218) 7.446 8.604 ( -0.326 1.918 13.560) 13.699 8.657 ( -0.665 0.347 6.208) 6.253 8.720 ( -2.137 4.065 5.454) 7.130 8.849 ( 1.462 3.881 5.556) 6.933 8.875 ( 2.140 1.930 3.188) 4.298 8.894 ( 0.596 1.364 1.908) 2.420 8.942 ( 4.177 2.572 -4.360) 6.563 9.006 ( -1.186 -0.108 8.663) 8.745 9.105 ( -3.699 -3.910 0.020) 5.382 9.137 ( -2.030 -1.043 -3.604) 4.266 9.292 ( -4.389 -0.141 1.166) 4.544 9.419 ( -0.503 -0.608 -4.315) 4.387 9.477 ( -1.568 -0.611 0.245) 1.700 9.538 ( -0.134 -6.095 -3.063) 6.823 9.569 ( -1.440 -4.100 -3.967) 5.884 9.589 ( -0.028 -3.013 -1.609) 3.416 9.604 ( 0.360 -2.523 -1.512) 2.964 9.681 ( 1.851 3.739 3.878) 5.696 9.742 ( 2.275 0.266 1.346) 2.657 9.769 ( 2.390 1.749 6.754) 7.375 9.961 ( -1.473 -2.834 2.150) 3.850 10.095 ( 1.417 -0.927 -6.572) 6.787 10.132 ( 2.493 0.107 -6.909) 7.346 10.183 ( 0.601 1.258 -3.212) 3.502 10.271 ( 3.643 3.391 -0.586) 5.011 10.309 ( 1.119 -0.901 -2.710) 3.068 10.416 ( -2.492 1.838 -3.983) 5.045 10.522 ( 1.720 -2.367 -4.840) 5.655 10.644 ( -4.944 -1.535 -1.497) 5.389 10.691 ( -1.404 1.592 -6.600) 6.933 10.727 ( -0.743 2.776 -6.885) 7.460 10.823 ( -1.739 -0.391 -3.777) 4.177 10.838 ( 0.257 -0.862 -7.349) 7.404 10.890 ( 0.701 1.439 -4.265) 4.555 10.929 ( -1.054 0.974 -5.453) 5.639 10.989 ( -3.233 1.486 -5.561) 6.602 11.039 ( -2.275 2.289 -4.231) 5.321 11.092 ( -0.983 -0.371 1.779) 2.066 11.219 ( 0.058 0.022 -0.646) 0.648 11.228 ( 0.740 -1.780 1.474) 2.427 11.327 ( 1.560 2.924 1.480) 3.630 11.354 ( 0.151 -1.752 -2.137) 2.768 11.399 ( -0.606 -0.720 1.406) 1.692 11.436 ( 0.981 0.672 0.019) 1.189 11.452 ( 2.283 -1.606 -0.944) 2.946 11.510 ( 4.564 -0.196 0.064) 4.569 11.555 ( 2.248 -1.961 0.685) 3.061 11.622 ( 1.490 -0.622 3.147) 3.537 11.649 ( 0.430 0.612 -2.408) 2.522 11.771 ( 1.121 -1.002 -0.539) 1.598 11.821 ( 1.388 -0.058 -1.414) 1.982 11.841 ( 1.046 -0.928 3.389) 3.666 11.867 ( 1.502 -0.435 -1.301) 2.034 11.907 ( 0.588 2.858 1.908) 3.486 11.936 ( 0.096 1.704 -0.176) 1.716 11.988 ( -0.699 1.177 2.964) 3.265 12.019 ( 0.667 0.188 2.608) 2.698 12.095 ( 0.053 1.906 -1.628) 2.507 12.144 ( -2.352 -2.236 2.250) 3.949 12.183 ( 0.773 -0.642 -6.105) 6.188 12.287 ( -5.231 1.182 1.302) 5.519 12.370 ( -2.426 0.301 -4.667) 5.269 12.399 ( -2.337 -1.567 -5.294) 5.995 12.447 ( -0.471 -1.658 -2.018) 2.654 12.477 ( -0.641 -1.410 -0.867) 1.775 12.548 ( 1.541 1.138 -4.466) 4.860 12.691 ( -1.828 0.411 -6.947) 7.196 12.711 ( 0.244 -2.145 -4.159) 4.686 12.727 ( 0.121 -0.614 -6.198) 6.230 13.251 ( 0.782 2.844 -0.050) 2.950 13.304 ( 0.100 1.426 -1.812) 2.308 13.464 ( 0.335 -1.760 -4.105) 4.479 13.506 ( 0.342 -2.256 -5.791) 6.224 ======================= Grid point 82 (33/45) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 8.346 2.853 8.248) 12.076 1.556 ( 7.660 -2.650 10.888) 13.573 1.718 ( -5.247 0.860 5.102) 7.369 1.795 ( -3.963 -2.706 3.661) 6.036 1.992 ( 1.006 -2.430 0.750) 2.735 2.081 ( -7.786 -1.024 4.022) 8.823 2.229 ( 7.741 -8.931 5.254) 12.934 2.362 ( -3.273 -7.024 3.810) 8.635 2.464 ( 7.827 8.858 5.888) 13.205 2.626 ( -5.976 10.219 0.802) 11.865 2.943 ( 3.636 3.172 -4.147) 6.363 3.021 ( -0.647 0.646 -1.989) 2.189 3.096 ( 3.953 0.331 -2.124) 4.500 3.194 ( -0.686 -2.414 -0.984) 2.696 3.280 ( 1.800 -3.852 4.534) 6.215 3.407 ( -7.393 -3.969 1.342) 8.498 3.503 ( 4.615 4.282 3.669) 7.286 3.573 ( -1.619 2.289 1.447) 3.155 3.721 ( 1.216 -4.177 1.018) 4.467 3.749 ( -1.371 -4.609 0.225) 4.814 3.926 ( 0.441 2.444 -1.860) 3.102 3.943 ( -0.503 1.379 -1.184) 1.886 4.080 ( 2.520 0.532 -2.170) 3.368 4.130 ( -2.360 -0.696 -3.002) 3.882 4.370 ( 5.303 5.846 12.893) 15.117 4.462 ( -3.003 1.762 10.481) 11.044 4.576 ( 0.369 -1.827 4.124) 4.526 4.624 ( -3.338 -2.339 4.865) 6.347 4.751 ( 2.815 0.432 3.549) 4.551 4.780 ( 2.771 -1.473 1.595) 3.520 4.864 ( -2.318 5.905 3.932) 7.463 4.896 ( -1.161 1.454 4.932) 5.271 4.929 ( -1.159 -1.480 2.505) 3.131 4.950 ( -1.085 1.847 3.240) 3.884 4.989 ( 6.429 -0.127 -0.257) 6.435 5.142 ( -5.946 -2.234 0.565) 6.377 5.211 ( 1.248 5.376 2.736) 6.160 5.260 ( -0.304 3.886 3.781) 5.430 5.307 ( 1.563 -1.459 2.409) 3.221 5.344 ( -3.353 -4.279 -0.321) 5.446 5.488 ( -2.256 -0.398 -2.761) 3.588 5.506 ( -3.345 -1.057 -4.566) 5.758 5.590 ( 0.636 3.407 3.953) 5.258 5.673 ( -4.816 1.192 2.488) 5.550 5.737 ( 1.673 -0.758 2.782) 3.334 5.819 ( -4.563 -0.583 1.204) 4.755 5.855 ( 1.718 0.531 -0.585) 1.891 5.924 ( -4.176 0.871 -0.562) 4.303 6.032 ( 2.165 -0.490 0.345) 2.246 6.053 ( -0.203 0.273 0.255) 0.426 6.180 ( 4.739 -3.190 1.045) 5.807 6.252 ( -1.253 -4.439 -0.407) 4.631 6.303 ( 1.151 -1.166 3.600) 3.955 6.344 ( -1.683 -2.034 2.849) 3.884 6.409 ( 2.376 -5.530 -0.408) 6.032 6.460 ( -2.994 -2.917 1.002) 4.299 6.597 ( 3.043 -0.567 4.619) 5.560 6.644 ( -1.164 -0.819 7.378) 7.514 6.746 ( 1.167 -1.397 -2.372) 2.990 6.785 ( -1.979 -1.552 -0.156) 2.520 6.876 ( 8.045 -0.325 0.556) 8.071 6.952 ( 4.274 -1.828 -2.034) 5.074 7.108 ( -2.740 0.313 4.532) 5.305 7.172 ( -5.428 -0.163 4.164) 6.843 7.233 ( 4.990 0.913 -2.421) 5.621 7.279 ( 1.969 1.026 0.116) 2.224 7.358 ( -1.891 0.025 -0.370) 1.927 7.365 ( -2.729 -0.111 -1.829) 3.287 7.539 ( 2.898 0.364 0.145) 2.925 7.616 ( -3.745 0.332 0.908) 3.868 7.704 ( 1.083 1.682 0.630) 2.098 7.721 ( -1.023 1.944 -0.412) 2.235 7.793 ( 4.493 0.269 1.906) 4.888 7.874 ( -1.642 -2.747 1.784) 3.663 7.942 ( 2.390 -2.261 3.093) 4.515 8.009 ( -1.930 -1.508 0.854) 2.594 8.034 ( 4.118 3.217 -1.114) 5.343 8.083 ( 1.389 5.749 -1.114) 6.018 8.216 ( -0.562 4.367 0.079) 4.404 8.259 ( -3.036 4.990 0.432) 5.857 8.429 ( -0.699 1.002 5.707) 5.836 8.450 ( -1.464 -1.719 3.140) 3.868 8.513 ( 1.563 -2.185 4.693) 5.408 8.567 ( -3.202 -0.211 6.771) 7.493 8.667 ( 1.519 4.095 9.221) 10.203 8.697 ( -1.080 5.790 6.084) 8.468 8.860 ( 0.902 2.008 6.832) 7.178 8.885 ( -0.983 -0.862 5.995) 6.136 8.939 ( 2.328 -0.769 3.104) 3.955 8.969 ( -1.170 -1.713 0.724) 2.197 9.041 ( 1.232 -3.224 -0.163) 3.455 9.050 ( 1.269 1.326 5.604) 5.897 9.095 ( -0.593 2.089 -4.484) 4.982 9.183 ( -5.930 2.200 -1.808) 6.578 9.414 ( 0.425 -1.436 -1.145) 1.885 9.439 ( -1.850 -1.212 0.231) 2.224 9.538 ( 0.402 -5.597 -4.487) 7.185 9.550 ( -0.628 -4.324 -3.997) 5.922 9.599 ( 0.712 -3.026 -3.086) 4.380 9.610 ( -0.151 -2.169 -1.942) 2.915 9.730 ( 2.423 2.664 4.237) 5.561 9.762 ( -0.415 0.583 4.220) 4.280 9.829 ( 3.477 1.259 3.653) 5.198 9.904 ( -3.656 -0.302 2.806) 4.618 10.138 ( 2.723 -0.218 -6.882) 7.404 10.178 ( -0.089 1.294 -5.156) 5.317 10.197 ( 2.360 0.752 -6.491) 6.948 10.272 ( -4.007 -0.962 -8.523) 9.467 10.365 ( 4.006 0.892 -4.022) 5.747 10.419 ( 0.701 1.122 -0.362) 1.372 10.522 ( 0.554 -2.731 -5.516) 6.180 10.575 ( -2.002 -3.119 -4.015) 5.464 10.673 ( 0.709 2.210 -6.121) 6.546 10.745 ( -5.321 0.531 -2.751) 6.014 10.753 ( 3.255 2.059 -3.060) 4.919 10.843 ( -4.951 1.469 -2.210) 5.617 10.857 ( 1.216 -0.503 -8.215) 8.320 10.902 ( -2.707 2.533 -7.700) 8.546 10.948 ( 2.159 1.857 -3.046) 4.171 10.996 ( -2.197 3.858 -5.493) 7.063 11.110 ( 2.300 -0.039 1.943) 3.011 11.169 ( -3.181 -0.270 2.637) 4.141 11.286 ( 3.088 -2.445 -0.647) 3.991 11.340 ( -1.939 -2.378 -1.614) 3.466 11.373 ( 2.139 1.661 -0.913) 2.858 11.392 ( -0.074 0.635 0.508) 0.816 11.455 ( 1.290 0.747 2.235) 2.687 11.478 ( -0.176 -1.033 0.760) 1.294 11.592 ( 2.209 -0.803 0.301) 2.370 11.600 ( 1.937 -1.246 2.124) 3.133 11.637 ( -0.037 1.535 -0.735) 1.702 11.648 ( 0.125 0.516 -0.354) 0.638 11.794 ( 1.252 -0.839 1.385) 2.047 11.833 ( -1.927 -2.180 2.008) 3.535 11.878 ( 2.318 -2.069 -2.369) 3.907 11.896 ( 0.354 -1.239 1.134) 1.716 11.919 ( 1.838 0.957 3.086) 3.717 11.944 ( -0.045 1.321 1.052) 1.689 12.006 ( 2.699 0.301 0.525) 2.766 12.049 ( 1.979 0.521 -0.783) 2.191 12.085 ( -2.022 -0.330 3.097) 3.713 12.121 ( 2.757 0.730 -3.156) 4.254 12.154 ( -4.996 1.857 -2.668) 5.960 12.199 ( -3.176 0.396 -6.183) 6.962 12.306 ( -1.409 0.054 0.122) 1.416 12.338 ( -3.140 0.067 -1.599) 3.524 12.450 ( 0.494 -2.174 -1.401) 2.633 12.463 ( -0.702 -1.912 -0.904) 2.229 12.591 ( 2.506 1.049 -6.008) 6.594 12.644 ( -2.643 0.735 -6.922) 7.446 12.718 ( 0.415 -1.685 -4.866) 5.166 12.726 ( -0.242 -1.097 -5.621) 5.732 13.272 ( 1.227 2.736 -1.365) 3.294 13.296 ( -0.937 2.203 -2.113) 3.193 13.482 ( 1.277 -2.130 -4.438) 5.085 13.504 ( -0.656 -2.315 -5.044) 5.589 ======================= Grid point 85 (34/45) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.000 7.864 4.811) 9.219 1.405 ( 0.000 -10.155 -0.763) 10.183 1.679 ( 0.000 4.844 8.643) 9.908 1.849 ( 0.000 -7.744 3.740) 8.600 2.004 ( 0.000 4.920 3.151) 5.843 2.085 ( 0.000 3.175 1.596) 3.553 2.170 ( 0.000 -9.767 5.542) 11.230 2.193 ( 0.000 -6.776 5.249) 8.571 2.617 ( 0.000 20.030 7.563) 21.410 2.841 ( 0.000 0.983 5.706) 5.790 2.853 ( 0.000 -1.461 3.706) 3.983 2.876 ( 0.000 2.645 -4.090) 4.871 2.974 ( 0.000 -2.344 -1.912) 3.025 3.015 ( 0.000 -11.776 2.057) 11.955 3.442 ( 0.000 3.166 -4.848) 5.790 3.496 ( 0.000 -2.368 -8.597) 8.917 3.560 ( 0.000 0.448 -0.886) 0.993 3.578 ( 0.000 -1.102 1.007) 1.493 3.608 ( 0.000 6.726 4.622) 8.161 3.743 ( 0.000 -5.629 2.363) 6.105 3.949 ( 0.000 3.139 0.403) 3.164 4.005 ( 0.000 -1.761 0.309) 1.788 4.111 ( 0.000 4.556 -3.748) 5.900 4.160 ( 0.000 -0.381 -0.516) 0.641 4.425 ( 0.000 4.845 5.613) 7.414 4.443 ( 0.000 1.846 12.847) 12.979 4.526 ( 0.000 -2.592 0.900) 2.743 4.546 ( 0.000 -5.152 10.517) 11.711 4.633 ( 0.000 -2.356 10.026) 10.299 4.638 ( 0.000 -2.600 4.935) 5.578 4.868 ( 0.000 4.076 1.847) 4.475 4.922 ( 0.000 -0.285 4.722) 4.731 4.924 ( 0.000 3.739 1.270) 3.949 5.003 ( 0.000 -3.557 -6.257) 7.198 5.117 ( 0.000 0.494 1.576) 1.651 5.142 ( 0.000 -3.210 1.026) 3.370 5.332 ( 0.000 5.631 6.178) 8.359 5.343 ( 0.000 2.761 2.458) 3.697 5.441 ( 0.000 8.828 5.050) 10.171 5.553 ( 0.000 2.148 0.358) 2.177 5.560 ( 0.000 -1.064 -0.650) 1.247 5.605 ( 0.000 -6.043 -0.344) 6.053 5.638 ( 0.000 5.108 4.564) 6.850 5.743 ( 0.000 -0.884 0.593) 1.064 5.758 ( 0.000 -3.311 0.505) 3.349 5.803 ( 0.000 -9.135 2.148) 9.384 5.849 ( 0.000 -1.572 2.034) 2.570 5.864 ( 0.000 -1.333 4.708) 4.893 6.058 ( 0.000 3.732 -2.244) 4.355 6.097 ( 0.000 -0.738 4.317) 4.380 6.100 ( 0.000 -0.709 3.536) 3.607 6.171 ( 0.000 -7.104 -5.701) 9.109 6.219 ( 0.000 1.681 1.600) 2.321 6.248 ( 0.000 -1.169 0.414) 1.241 6.447 ( 0.000 2.794 1.859) 3.356 6.450 ( 0.000 1.177 3.296) 3.500 6.575 ( 0.000 -1.616 6.067) 6.279 6.581 ( 0.000 1.085 2.469) 2.697 6.622 ( 0.000 -4.679 3.466) 5.823 6.637 ( 0.000 0.770 -2.196) 2.327 6.746 ( 0.000 -1.757 0.042) 1.757 6.836 ( 0.000 -5.640 -0.207) 5.644 7.120 ( 0.000 7.863 -8.626) 11.672 7.177 ( 0.000 1.538 -1.050) 1.862 7.213 ( 0.000 -1.397 -0.940) 1.684 7.235 ( 0.000 -1.974 -3.710) 4.203 7.406 ( 0.000 -0.282 3.557) 3.569 7.408 ( 0.000 0.266 3.886) 3.895 7.594 ( 0.000 5.066 -3.925) 6.409 7.659 ( 0.000 0.985 -1.603) 1.881 7.713 ( 0.000 3.050 7.276) 7.890 7.772 ( 0.000 3.806 -1.189) 3.988 7.794 ( 0.000 -3.812 0.081) 3.812 7.843 ( 0.000 -2.044 5.894) 6.238 7.865 ( 0.000 -4.113 5.399) 6.787 7.920 ( 0.000 -7.314 -2.687) 7.792 8.001 ( 0.000 6.622 2.965) 7.255 8.069 ( 0.000 0.987 -0.731) 1.229 8.305 ( 0.000 2.350 5.176) 5.685 8.307 ( 0.000 1.041 5.130) 5.235 8.423 ( 0.000 -1.745 0.893) 1.960 8.429 ( 0.000 -1.577 0.569) 1.676 8.633 ( 0.000 1.378 10.071) 10.164 8.643 ( 0.000 1.094 4.185) 4.325 8.769 ( 0.000 3.748 3.725) 5.284 8.801 ( 0.000 0.777 6.741) 6.785 8.860 ( 0.000 0.883 0.757) 1.163 8.890 ( 0.000 6.032 -3.909) 7.187 8.921 ( 0.000 -3.204 9.068) 9.617 8.990 ( 0.000 -1.108 -8.717) 8.787 9.051 ( 0.000 5.471 3.454) 6.470 9.111 ( 0.000 -0.500 6.017) 6.038 9.130 ( 0.000 4.310 -1.462) 4.551 9.315 ( 0.000 -10.713 -8.662) 13.776 9.373 ( 0.000 2.024 0.276) 2.042 9.423 ( 0.000 -3.156 -2.307) 3.909 9.492 ( 0.000 -0.208 -3.866) 3.871 9.522 ( 0.000 0.066 -0.335) 0.341 9.535 ( 0.000 -1.452 1.013) 1.770 9.547 ( 0.000 -4.563 -1.786) 4.900 9.724 ( 0.000 2.814 4.814) 5.576 9.727 ( 0.000 1.988 8.563) 8.790 9.779 ( 0.000 0.999 7.169) 7.238 9.852 ( 0.000 -5.627 1.074) 5.728 10.079 ( 0.000 0.363 -7.692) 7.700 10.089 ( 0.000 -0.855 -6.465) 6.521 10.228 ( 0.000 2.897 -5.436) 6.160 10.276 ( 0.000 -1.476 -4.554) 4.787 10.372 ( 0.000 6.386 -0.076) 6.387 10.452 ( 0.000 -1.770 -4.667) 4.992 10.474 ( 0.000 1.945 -1.659) 2.557 10.583 ( 0.000 -7.432 1.580) 7.598 10.758 ( 0.000 2.277 -8.848) 9.137 10.780 ( 0.000 0.434 -8.876) 8.886 10.828 ( 0.000 0.058 -4.176) 4.176 10.829 ( 0.000 0.010 -6.920) 6.920 10.951 ( 0.000 2.043 -1.866) 2.767 10.970 ( 0.000 0.422 -3.881) 3.904 11.052 ( 0.000 1.071 -2.845) 3.040 11.055 ( 0.000 0.038 -0.418) 0.420 11.095 ( 0.000 1.657 -1.141) 2.012 11.158 ( 0.000 -3.088 -1.418) 3.398 11.290 ( 0.000 2.559 -6.439) 6.929 11.337 ( 0.000 -2.396 -6.144) 6.595 11.338 ( 0.000 -0.254 0.893) 0.928 11.365 ( 0.000 -1.273 -1.348) 1.854 11.403 ( 0.000 2.902 -0.619) 2.967 11.442 ( 0.000 1.055 0.678) 1.254 11.459 ( 0.000 -0.383 1.545) 1.591 11.481 ( 0.000 -3.006 0.514) 3.050 11.577 ( 0.000 -0.318 4.578) 4.589 11.598 ( 0.000 -1.864 2.362) 3.009 11.780 ( 0.000 1.337 2.796) 3.099 11.808 ( 0.000 -1.202 3.401) 3.607 11.840 ( 0.000 0.692 -1.310) 1.482 11.848 ( 0.000 -0.099 -2.736) 2.737 11.971 ( 0.000 2.372 2.132) 3.190 12.001 ( 0.000 -0.890 3.948) 4.047 12.012 ( 0.000 4.147 1.329) 4.355 12.029 ( 0.000 2.947 -0.925) 3.088 12.092 ( 0.000 -4.108 -4.158) 5.845 12.110 ( 0.000 -3.739 2.394) 4.440 12.197 ( 0.000 5.860 -2.943) 6.558 12.318 ( 0.000 -5.290 -3.468) 6.325 12.396 ( 0.000 1.452 -2.586) 2.965 12.404 ( 0.000 1.575 -2.963) 3.356 12.434 ( 0.000 -1.705 -3.015) 3.464 12.448 ( 0.000 -2.013 -0.821) 2.174 12.576 ( 0.000 2.889 -5.046) 5.814 12.644 ( 0.000 -3.464 -4.527) 5.701 12.718 ( 0.000 0.124 -7.071) 7.072 12.720 ( 0.000 0.003 -5.933) 5.933 13.309 ( 0.000 2.883 -1.046) 3.067 13.326 ( 0.000 1.031 -1.566) 1.875 13.428 ( 0.000 -1.297 -3.786) 4.002 13.444 ( 0.000 -2.644 -5.054) 5.704 ======================= Grid point 86 (35/45) ======================= q-point: ( 0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 10.004 5.846 5.469) 12.812 1.452 ( 4.560 -6.618 1.193) 8.125 1.727 ( 3.489 3.883 7.969) 9.527 1.875 ( 1.136 -6.521 4.477) 7.991 1.968 ( -2.920 3.313 3.310) 5.519 2.039 ( -3.216 2.656 2.485) 4.855 2.117 ( -4.475 -6.942 6.446) 10.477 2.206 ( -0.200 -9.186 4.341) 10.162 2.633 ( 2.713 17.313 5.613) 18.402 2.869 ( 1.643 -2.214 2.109) 3.471 2.887 ( 3.053 4.414 -1.435) 5.556 2.926 ( 4.636 1.123 -0.409) 4.787 3.007 ( 2.766 -4.974 3.310) 6.584 3.027 ( 1.888 -5.847 -1.168) 6.254 3.427 ( -5.269 3.323 -6.121) 8.733 3.481 ( -3.785 -1.616 -5.554) 6.912 3.517 ( -0.651 3.116 4.418) 5.445 3.566 ( 1.208 -1.175 0.808) 1.869 3.625 ( 0.987 -0.493 1.398) 1.781 3.680 ( -3.477 -4.760 1.499) 6.083 3.973 ( 1.287 3.062 0.030) 3.322 4.023 ( 0.966 -0.996 0.338) 1.428 4.079 ( -2.197 4.047 -2.184) 5.097 4.138 ( -2.343 -1.850 -2.169) 3.690 4.433 ( 1.439 5.128 10.042) 11.367 4.473 ( 2.026 0.042 11.306) 11.486 4.527 ( 2.033 0.395 6.611) 6.928 4.599 ( 1.958 -4.813 8.966) 10.363 4.652 ( 2.505 -1.001 3.351) 4.301 4.678 ( 3.012 -3.255 4.263) 6.151 4.882 ( 1.378 5.103 0.592) 5.319 4.923 ( 1.319 2.555 3.611) 4.616 4.962 ( 2.618 -0.870 4.461) 5.245 4.984 ( -0.869 -2.153 -2.351) 3.304 5.083 ( -4.389 1.976 1.800) 5.138 5.146 ( -1.708 -3.957 -0.470) 4.335 5.257 ( -4.093 1.612 2.554) 5.086 5.274 ( -3.483 1.397 3.695) 5.267 5.422 ( -1.694 8.041 3.117) 8.789 5.504 ( -6.804 0.436 -0.228) 6.822 5.543 ( -1.399 3.542 -0.066) 3.809 5.560 ( -1.930 0.444 -2.463) 3.160 5.638 ( -1.094 -1.445 3.038) 3.538 5.727 ( -5.342 -5.988 2.919) 8.539 5.755 ( -0.506 0.541 -0.245) 0.781 5.789 ( 1.515 -2.640 2.145) 3.723 5.872 ( 0.375 -0.767 4.655) 4.732 5.889 ( 2.521 -2.891 1.100) 3.990 6.035 ( -1.040 1.395 0.125) 1.745 6.062 ( -1.678 -1.216 1.110) 2.351 6.081 ( -0.541 0.603 1.141) 1.399 6.148 ( -0.693 -5.478 -3.243) 6.404 6.253 ( 1.613 -0.196 2.198) 2.734 6.267 ( 1.055 -1.709 0.960) 2.226 6.418 ( -3.102 2.871 2.328) 4.825 6.475 ( -1.722 -2.176 1.589) 3.198 6.534 ( 1.396 2.126 3.873) 4.633 6.590 ( 1.806 -2.255 3.671) 4.671 6.636 ( 3.524 -1.492 5.171) 6.433 6.689 ( 2.339 -5.804 2.536) 6.752 6.816 ( 5.595 4.504 -2.097) 7.483 6.922 ( 4.204 -3.820 -1.687) 5.925 7.075 ( -0.798 3.906 -3.917) 5.588 7.153 ( -2.663 -2.227 -1.894) 3.954 7.228 ( 2.584 2.511 -2.615) 4.452 7.290 ( 2.392 -1.853 -2.621) 4.004 7.371 ( -2.080 2.551 6.851) 7.601 7.421 ( -0.612 -1.192 4.583) 4.775 7.580 ( -0.629 4.311 -0.482) 4.384 7.660 ( -1.561 -2.762 6.830) 7.531 7.704 ( 0.201 4.654 -5.098) 6.906 7.762 ( -1.650 -0.998 -0.567) 2.010 7.819 ( 0.568 -0.923 0.365) 1.144 7.835 ( 2.068 -0.961 1.292) 2.621 7.855 ( -0.336 0.052 3.328) 3.345 7.936 ( 1.057 -5.310 -2.069) 5.796 8.032 ( 3.015 4.805 2.771) 6.313 8.098 ( 3.087 0.086 0.031) 3.088 8.287 ( -0.956 2.891 3.291) 4.484 8.325 ( 0.880 0.956 2.492) 2.810 8.429 ( 1.186 -1.099 1.858) 2.463 8.441 ( 0.331 -1.892 1.882) 2.689 8.609 ( -2.790 1.686 6.070) 6.890 8.624 ( -2.546 0.150 7.194) 7.632 8.729 ( -2.341 6.329 10.355) 12.360 8.815 ( 0.828 3.855 3.853) 5.513 8.854 ( 1.368 -2.252 5.126) 5.763 8.899 ( -0.679 -3.615 1.809) 4.098 8.937 ( 0.455 2.170 0.853) 2.375 8.983 ( -0.313 2.196 -4.786) 5.275 9.017 ( -4.419 2.382 1.192) 5.159 9.058 ( -1.253 -0.841 5.380) 5.588 9.150 ( -0.351 3.510 -0.838) 3.626 9.295 ( 0.074 -5.162 -4.114) 6.601 9.356 ( -1.983 -0.297 -4.885) 5.280 9.431 ( 0.332 -4.214 -2.796) 5.068 9.474 ( -1.794 0.305 -3.355) 3.817 9.501 ( -1.269 0.885 -0.648) 1.677 9.523 ( -0.865 -3.660 -1.981) 4.251 9.548 ( 0.194 -2.886 -0.749) 2.988 9.743 ( 2.301 2.571 7.005) 7.809 9.778 ( 2.992 0.988 6.852) 7.542 9.787 ( 0.769 1.599 6.522) 6.759 9.872 ( 1.008 -4.984 3.321) 6.073 10.094 ( 1.650 0.619 -8.285) 8.470 10.114 ( 2.621 -1.280 -8.086) 8.596 10.231 ( 0.163 2.833 -6.451) 7.048 10.279 ( -0.267 -1.752 -6.554) 6.790 10.368 ( 0.342 5.126 -0.973) 5.229 10.458 ( -0.499 -1.936 -3.638) 4.152 10.476 ( 0.711 1.915 -1.074) 2.308 10.566 ( -2.084 -5.171 0.843) 5.638 10.728 ( -1.869 1.800 -7.507) 7.943 10.753 ( -1.548 -0.340 -7.046) 7.222 10.826 ( -0.110 0.986 -6.509) 6.584 10.839 ( 0.155 -0.133 -7.022) 7.025 10.921 ( -2.071 1.463 -2.622) 3.647 10.943 ( -1.857 -0.187 -2.060) 2.780 11.033 ( -2.018 2.464 -3.246) 4.547 11.059 ( 0.041 0.059 -1.035) 1.038 11.110 ( 0.956 1.780 -1.079) 2.291 11.169 ( 1.622 -3.332 -2.068) 4.244 11.253 ( -2.453 2.552 -3.293) 4.835 11.307 ( -1.105 -2.519 -2.709) 3.861 11.378 ( 1.502 1.009 0.949) 2.043 11.405 ( 2.056 0.788 -3.219) 3.900 11.411 ( 1.402 -0.077 1.957) 2.409 11.449 ( 0.556 -0.017 1.179) 1.304 11.505 ( 3.951 -0.587 0.433) 4.018 11.511 ( 2.644 -1.978 0.415) 3.327 11.613 ( 3.181 0.413 2.629) 4.147 11.637 ( 2.978 -1.425 0.268) 3.312 11.771 ( -0.509 1.122 1.751) 2.141 11.804 ( -0.436 -1.746 2.717) 3.259 11.834 ( -0.367 0.722 -1.838) 2.008 11.855 ( 0.486 -0.924 -1.069) 1.494 11.955 ( -1.044 1.947 2.659) 3.457 11.982 ( -0.794 0.315 4.489) 4.569 12.004 ( -0.843 2.005 -2.288) 3.157 12.047 ( 0.734 1.619 0.072) 1.780 12.084 ( -0.400 -2.554 -1.091) 2.806 12.104 ( -0.037 -1.367 1.315) 1.897 12.217 ( 1.247 3.982 -4.587) 6.201 12.296 ( -3.016 -1.893 -3.097) 4.719 12.359 ( -2.271 -0.102 -2.442) 3.336 12.387 ( -1.945 -0.990 -0.797) 2.324 12.407 ( -1.893 -0.109 -1.624) 2.497 12.440 ( -1.121 -2.070 -1.610) 2.852 12.589 ( 1.289 2.679 -5.258) 6.040 12.652 ( 0.767 -3.173 -4.818) 5.820 12.702 ( -1.324 0.661 -6.726) 6.887 12.716 ( -0.567 -0.606 -6.361) 6.415 13.319 ( 0.997 3.180 -1.585) 3.691 13.341 ( 1.177 1.558 -2.010) 2.803 13.422 ( -0.354 -1.559 -3.932) 4.245 13.446 ( 0.002 -3.106 -4.619) 5.567 ======================= Grid point 87 (36/45) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 12.954 2.728 5.918) 14.501 1.574 ( 6.802 0.642 4.246) 8.044 1.727 ( -4.212 2.805 5.011) 7.122 1.809 ( -9.612 -3.427 3.463) 10.776 1.934 ( 2.888 2.814 6.808) 7.912 2.019 ( -4.379 -1.426 7.059) 8.429 2.052 ( 3.895 -6.779 4.213) 8.881 2.154 ( -4.746 -10.271 4.521) 12.184 2.741 ( 7.214 13.948 2.298) 15.871 2.868 ( -3.599 10.317 -0.646) 10.946 2.953 ( 3.777 -3.736 -1.345) 5.480 3.014 ( -0.651 -2.570 0.114) 2.654 3.071 ( 8.259 -0.499 -1.545) 8.417 3.128 ( 7.149 -4.390 0.329) 8.396 3.256 ( -8.981 1.919 -0.492) 9.197 3.323 ( -10.139 -4.031 -1.330) 10.992 3.566 ( 2.971 2.131 2.257) 4.296 3.591 ( 0.719 0.323 -0.186) 0.810 3.635 ( 0.326 -3.299 0.649) 3.378 3.653 ( -0.736 -3.925 0.262) 4.002 3.987 ( 0.407 3.977 -0.132) 4.000 4.008 ( -1.783 3.855 0.125) 4.250 4.066 ( 0.771 -2.256 -1.060) 2.609 4.091 ( -1.795 -3.125 -1.408) 3.869 4.492 ( 3.673 4.264 11.106) 12.451 4.506 ( 1.492 2.135 11.127) 11.428 4.557 ( -0.109 0.201 9.498) 9.501 4.588 ( -2.486 -1.639 9.489) 9.945 4.735 ( 5.784 0.207 0.775) 5.839 4.774 ( 6.188 -1.870 1.627) 6.666 4.885 ( -4.768 0.416 2.074) 5.216 4.933 ( -4.876 -1.857 3.582) 6.329 4.948 ( 0.986 3.514 1.873) 4.103 4.994 ( -0.983 3.934 1.172) 4.220 5.019 ( 2.906 0.515 1.413) 3.272 5.088 ( -2.516 -3.444 0.652) 4.314 5.230 ( 1.760 0.909 1.218) 2.325 5.269 ( 1.544 -0.894 1.169) 2.133 5.338 ( -5.450 0.959 -0.062) 5.534 5.378 ( -5.445 -0.174 0.763) 5.501 5.496 ( -1.628 4.516 -1.450) 5.015 5.506 ( -2.329 4.404 -1.461) 5.192 5.616 ( -0.483 -2.580 -0.292) 2.641 5.642 ( -2.463 -5.175 1.364) 5.891 5.758 ( 2.196 3.642 3.862) 5.745 5.828 ( -3.676 1.881 3.685) 5.534 5.838 ( 2.607 -2.593 1.835) 4.110 5.894 ( -2.370 -3.563 1.229) 4.452 6.044 ( 2.151 1.765 0.961) 2.944 6.072 ( -0.237 1.825 -0.923) 2.059 6.099 ( 2.926 -3.604 -0.079) 4.643 6.139 ( -0.749 -4.864 -2.015) 5.318 6.274 ( 1.569 -0.354 2.972) 3.379 6.304 ( 2.102 -2.869 2.286) 4.227 6.341 ( -3.517 0.322 2.198) 4.159 6.388 ( -4.913 -3.659 1.476) 6.302 6.607 ( 3.870 1.878 2.783) 5.124 6.641 ( 2.118 0.229 4.207) 4.715 6.692 ( 0.592 -2.393 1.425) 2.848 6.719 ( -0.624 -3.652 1.966) 4.194 6.927 ( 6.012 4.588 -0.022) 7.562 6.988 ( 3.134 2.541 -2.264) 4.626 7.068 ( -0.916 -2.508 2.547) 3.690 7.121 ( -2.303 -3.813 -1.094) 4.587 7.272 ( 2.334 2.201 1.016) 3.365 7.320 ( 0.297 -1.771 0.945) 2.029 7.323 ( -1.653 2.602 4.995) 5.870 7.371 ( -3.758 -0.972 4.095) 5.642 7.595 ( 2.420 3.549 1.915) 4.703 7.635 ( -0.303 0.594 4.189) 4.242 7.690 ( -1.413 -1.200 2.059) 2.771 7.715 ( -2.759 -2.270 1.416) 3.843 7.839 ( 1.177 2.543 -4.112) 4.976 7.854 ( -0.119 2.257 -2.821) 3.615 7.893 ( 3.051 -2.362 -1.790) 4.254 7.938 ( -1.105 -4.234 -3.648) 5.697 8.134 ( 6.445 4.802 0.520) 8.054 8.192 ( 4.946 1.601 -0.683) 5.243 8.257 ( -1.951 1.913 0.006) 2.732 8.316 ( -2.963 -0.792 -0.666) 3.139 8.440 ( 0.751 1.727 5.114) 5.450 8.475 ( 2.964 -1.365 4.533) 5.585 8.508 ( -5.131 3.570 6.752) 9.201 8.554 ( -4.080 -1.249 6.381) 7.676 8.737 ( 2.803 4.435 12.008) 13.104 8.809 ( -2.909 5.108 8.921) 10.684 8.866 ( 0.995 -6.335 11.280) 12.975 8.908 ( 0.326 2.596 1.091) 2.835 8.917 ( -1.204 -2.977 4.872) 5.835 8.942 ( -1.613 3.460 1.910) 4.268 8.981 ( -0.571 -2.304 -4.586) 5.164 9.008 ( -2.106 -2.531 2.235) 3.980 9.189 ( 4.068 6.399 -5.040) 9.105 9.276 ( -3.713 5.734 -4.178) 8.007 9.345 ( 2.221 -7.180 -6.421) 9.884 9.402 ( -2.911 -5.203 -5.606) 8.184 9.457 ( 0.495 0.888 -1.689) 1.972 9.476 ( -1.191 1.098 -1.455) 2.177 9.526 ( 0.807 -4.037 -1.932) 4.548 9.543 ( -0.642 -3.919 -1.589) 4.277 9.788 ( 1.655 2.443 7.276) 7.851 9.801 ( 0.286 2.944 6.545) 7.182 9.829 ( 2.203 -1.076 6.891) 7.314 9.868 ( -1.354 -2.877 5.376) 6.246 10.149 ( 3.594 1.334 -9.220) 9.985 10.185 ( 3.793 -1.730 -9.448) 10.327 10.216 ( -2.242 1.978 -8.265) 8.789 10.249 ( -2.432 -1.193 -9.622) 9.996 10.402 ( 2.784 2.644 -1.818) 4.248 10.453 ( -0.481 1.218 -0.971) 1.630 10.469 ( -0.722 -2.101 -3.762) 4.369 10.506 ( -3.077 -2.809 -1.251) 4.351 10.720 ( 1.394 2.226 -5.636) 6.218 10.756 ( 1.586 -0.891 -5.032) 5.351 10.780 ( -3.375 1.586 -5.558) 6.693 10.815 ( -3.022 -1.758 -6.745) 7.597 10.910 ( 2.042 3.210 -2.414) 4.506 10.961 ( 3.093 -1.201 -1.306) 3.566 10.974 ( -3.504 3.597 -2.460) 5.592 11.030 ( -2.957 -1.164 -1.393) 3.470 11.144 ( 2.485 3.358 -1.950) 4.610 11.198 ( -2.439 3.220 -2.121) 4.562 11.224 ( 2.702 -3.408 -2.690) 5.114 11.277 ( -2.081 -3.529 -2.913) 5.027 11.408 ( 1.198 1.719 1.065) 2.350 11.418 ( 0.158 2.001 1.549) 2.536 11.448 ( 1.120 -1.921 1.376) 2.615 11.457 ( 0.121 -1.082 2.101) 2.366 11.574 ( 3.399 0.190 0.974) 3.541 11.593 ( 4.024 -0.616 0.521) 4.104 11.644 ( -1.730 0.392 1.296) 2.197 11.661 ( -0.771 -0.234 -0.162) 0.822 11.791 ( 1.279 0.187 2.088) 2.456 11.799 ( 0.804 -0.371 -1.603) 1.831 11.831 ( 0.550 -1.197 -1.603) 2.074 11.856 ( -0.685 -2.360 -0.186) 2.465 11.955 ( 1.105 1.929 1.373) 2.613 11.975 ( -0.408 1.451 1.374) 2.040 11.994 ( 0.430 -0.850 -1.371) 1.670 12.026 ( -2.109 -2.199 -0.602) 3.106 12.110 ( 2.978 1.676 1.227) 3.631 12.129 ( 2.815 -0.112 -0.104) 2.819 12.196 ( -4.568 1.684 -3.498) 5.995 12.209 ( -4.294 0.289 -2.264) 4.863 12.321 ( 0.255 1.797 0.433) 1.866 12.357 ( -2.445 1.894 -1.654) 3.507 12.384 ( 0.876 -3.741 -0.413) 3.865 12.411 ( -1.537 -2.906 -1.202) 3.500 12.624 ( 2.048 2.140 -6.074) 6.758 12.666 ( -1.682 1.068 -6.670) 6.961 12.674 ( 0.882 -2.105 -5.499) 5.954 12.698 ( -1.126 -1.503 -6.130) 6.411 13.343 ( 1.124 3.711 -2.506) 4.616 13.357 ( -0.003 3.402 -2.784) 4.396 13.424 ( 0.622 -3.247 -3.766) 5.011 13.440 ( -0.681 -3.635 -4.098) 5.520 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 0.000 11.804) 11.804 1.748 ( 0.000 0.000 21.917) 21.917 1.806 ( 0.000 0.000 -1.707) 1.707 1.915 ( 0.000 0.000 3.034) 3.034 1.956 ( 0.000 0.000 0.012) 0.012 2.137 ( 0.000 0.000 -17.042) 17.042 2.174 ( 0.000 0.000 0.889) 0.889 2.214 ( 0.000 0.000 -2.541) 2.541 2.539 ( 0.000 0.000 3.931) 3.931 2.579 ( 0.000 0.000 -0.169) 0.169 2.984 ( 0.000 0.000 7.412) 7.412 2.991 ( 0.000 0.000 3.036) 3.036 3.061 ( 0.000 0.000 -4.223) 4.223 3.150 ( 0.000 0.000 -8.240) 8.240 3.349 ( 0.000 0.000 9.215) 9.215 3.420 ( 0.000 0.000 -1.044) 1.044 3.464 ( 0.000 0.000 -4.689) 4.689 3.498 ( 0.000 0.000 -6.059) 6.059 3.661 ( 0.000 0.000 8.664) 8.664 3.842 ( 0.000 0.000 -9.385) 9.385 3.867 ( 0.000 0.000 0.671) 0.671 3.897 ( 0.000 0.000 -2.118) 2.118 3.963 ( 0.000 0.000 5.414) 5.414 4.093 ( 0.000 0.000 -7.442) 7.442 4.426 ( 0.000 0.000 9.048) 9.048 4.535 ( 0.000 0.000 -1.743) 1.743 4.701 ( 0.000 0.000 3.940) 3.940 4.770 ( 0.000 0.000 2.782) 2.782 4.784 ( 0.000 0.000 -4.656) 4.656 4.789 ( 0.000 0.000 1.161) 1.161 4.851 ( 0.000 0.000 3.839) 3.839 4.899 ( 0.000 0.000 -0.257) 0.257 4.968 ( 0.000 0.000 8.329) 8.329 5.029 ( 0.000 0.000 2.495) 2.495 5.152 ( 0.000 0.000 4.695) 4.695 5.243 ( 0.000 0.000 -4.007) 4.007 5.257 ( 0.000 0.000 5.431) 5.431 5.267 ( 0.000 0.000 5.308) 5.308 5.500 ( 0.000 0.000 5.667) 5.667 5.557 ( 0.000 0.000 2.955) 2.955 5.600 ( 0.000 0.000 -4.007) 4.007 5.617 ( 0.000 0.000 -4.909) 4.909 5.619 ( 0.000 0.000 2.810) 2.810 5.666 ( 0.000 0.000 -2.586) 2.586 5.742 ( 0.000 0.000 0.374) 0.374 5.850 ( 0.000 0.000 -7.336) 7.336 5.971 ( 0.000 0.000 -0.206) 0.206 5.973 ( 0.000 0.000 0.836) 0.836 6.098 ( 0.000 0.000 3.920) 3.920 6.148 ( 0.000 0.000 -1.475) 1.475 6.215 ( 0.000 0.000 4.508) 4.508 6.270 ( 0.000 0.000 1.287) 1.287 6.341 ( 0.000 0.000 -4.827) 4.827 6.352 ( 0.000 0.000 9.640) 9.640 6.374 ( 0.000 0.000 -5.409) 5.409 6.454 ( 0.000 0.000 7.334) 7.334 6.542 ( 0.000 0.000 -1.826) 1.826 6.583 ( 0.000 0.000 -10.316) 10.316 6.791 ( 0.000 0.000 5.335) 5.335 6.819 ( 0.000 0.000 6.357) 6.357 6.893 ( 0.000 0.000 2.136) 2.136 6.913 ( 0.000 0.000 5.851) 5.851 6.981 ( 0.000 0.000 -9.480) 9.480 7.041 ( 0.000 0.000 -4.724) 4.724 7.044 ( 0.000 0.000 -9.376) 9.376 7.047 ( 0.000 0.000 -1.139) 1.139 7.475 ( 0.000 0.000 0.393) 0.393 7.494 ( 0.000 0.000 -1.944) 1.944 7.537 ( 0.000 0.000 2.009) 2.009 7.561 ( 0.000 0.000 -0.198) 0.198 7.666 ( 0.000 0.000 4.033) 4.033 7.733 ( 0.000 0.000 -2.748) 2.748 7.851 ( 0.000 0.000 9.207) 9.207 7.891 ( 0.000 0.000 7.265) 7.265 7.975 ( 0.000 0.000 -4.907) 4.907 7.997 ( 0.000 0.000 4.429) 4.429 8.034 ( 0.000 0.000 -5.386) 5.386 8.122 ( 0.000 0.000 -8.992) 8.992 8.309 ( 0.000 0.000 17.955) 17.955 8.394 ( 0.000 0.000 13.264) 13.264 8.477 ( 0.000 0.000 -0.220) 0.220 8.499 ( 0.000 0.000 7.092) 7.092 8.590 ( 0.000 0.000 -8.775) 8.775 8.593 ( 0.000 0.000 6.541) 6.541 8.754 ( 0.000 0.000 -14.552) 14.552 8.759 ( 0.000 0.000 0.017) 0.017 8.822 ( 0.000 0.000 -1.378) 1.378 8.920 ( 0.000 0.000 -12.873) 12.873 8.958 ( 0.000 0.000 10.727) 10.727 8.995 ( 0.000 0.000 12.310) 12.310 9.053 ( 0.000 0.000 7.383) 7.383 9.124 ( 0.000 0.000 0.504) 0.504 9.247 ( 0.000 0.000 3.622) 3.622 9.319 ( 0.000 0.000 -4.158) 4.158 9.451 ( 0.000 0.000 8.813) 8.813 9.485 ( 0.000 0.000 -2.999) 2.999 9.551 ( 0.000 0.000 -1.306) 1.306 9.561 ( 0.000 0.000 4.570) 4.570 9.562 ( 0.000 0.000 -7.546) 7.546 9.655 ( 0.000 0.000 8.117) 8.117 9.697 ( 0.000 0.000 3.324) 3.324 9.720 ( 0.000 0.000 1.510) 1.510 9.813 ( 0.000 0.000 -5.927) 5.927 9.913 ( 0.000 0.000 -13.429) 13.429 10.056 ( 0.000 0.000 1.171) 1.171 10.097 ( 0.000 0.000 -2.736) 2.736 10.158 ( 0.000 0.000 2.317) 2.317 10.209 ( 0.000 0.000 1.188) 1.188 10.227 ( 0.000 0.000 7.715) 7.715 10.289 ( 0.000 0.000 -12.795) 12.795 10.385 ( 0.000 0.000 1.984) 1.984 10.471 ( 0.000 0.000 -14.709) 14.709 10.593 ( 0.000 0.000 -7.429) 7.429 10.715 ( 0.000 0.000 3.887) 3.887 10.728 ( 0.000 0.000 -9.096) 9.096 10.762 ( 0.000 0.000 -0.786) 0.786 10.851 ( 0.000 0.000 4.272) 4.272 10.859 ( 0.000 0.000 0.956) 0.956 10.900 ( 0.000 0.000 -3.467) 3.467 10.962 ( 0.000 0.000 -7.059) 7.059 11.183 ( 0.000 0.000 2.302) 2.302 11.227 ( 0.000 0.000 -1.671) 1.671 11.247 ( 0.000 0.000 1.876) 1.876 11.295 ( 0.000 0.000 -3.299) 3.299 11.374 ( 0.000 0.000 6.708) 6.708 11.424 ( 0.000 0.000 2.100) 2.100 11.441 ( 0.000 0.000 2.842) 2.842 11.452 ( 0.000 0.000 1.077) 1.077 11.488 ( 0.000 0.000 -0.036) 0.036 11.511 ( 0.000 0.000 -3.840) 3.840 11.518 ( 0.000 0.000 -4.175) 4.175 11.607 ( 0.000 0.000 -9.856) 9.856 11.763 ( 0.000 0.000 -0.014) 0.014 11.766 ( 0.000 0.000 8.071) 8.071 11.798 ( 0.000 0.000 -3.861) 3.861 11.834 ( 0.000 0.000 2.045) 2.045 11.906 ( 0.000 0.000 -0.040) 0.040 12.004 ( 0.000 0.000 -10.930) 10.930 12.008 ( 0.000 0.000 5.963) 5.963 12.068 ( 0.000 0.000 -0.632) 0.632 12.107 ( 0.000 0.000 8.031) 8.031 12.141 ( 0.000 0.000 8.248) 8.248 12.289 ( 0.000 0.000 -7.371) 7.371 12.297 ( 0.000 0.000 -6.762) 6.762 12.338 ( 0.000 0.000 6.852) 6.852 12.389 ( 0.000 0.000 1.436) 1.436 12.394 ( 0.000 0.000 1.310) 1.310 12.489 ( 0.000 0.000 -2.921) 2.921 12.547 ( 0.000 0.000 1.846) 1.846 12.562 ( 0.000 0.000 -4.493) 4.493 12.629 ( 0.000 0.000 -3.111) 3.111 12.655 ( 0.000 0.000 -4.165) 4.165 13.257 ( 0.000 0.000 3.264) 3.264 13.290 ( 0.000 0.000 1.072) 1.072 13.392 ( 0.000 0.000 -5.365) 5.365 13.396 ( 0.000 0.000 -4.275) 4.275 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.676 0.000 12.011) 12.030 1.803 ( 5.294 0.000 19.369) 20.080 1.804 ( 0.379 0.000 -1.542) 1.588 1.891 ( -5.426 0.000 -0.035) 5.426 1.923 ( -0.886 0.000 -3.004) 3.132 2.135 ( -0.509 0.000 -13.432) 13.441 2.247 ( 8.071 0.000 4.752) 9.366 2.303 ( 6.584 0.000 -0.073) 6.585 2.566 ( 0.454 0.000 1.716) 1.775 2.577 ( 1.233 0.000 0.453) 1.313 2.896 ( -7.141 0.000 3.392) 7.905 2.997 ( -6.161 0.000 -6.354) 8.850 3.015 ( 3.049 0.000 5.628) 6.401 3.153 ( 0.129 0.000 -7.688) 7.689 3.408 ( -0.821 0.000 0.661) 1.054 3.429 ( 7.334 0.000 10.335) 12.673 3.459 ( -0.706 0.000 -4.231) 4.289 3.591 ( 7.695 0.000 -6.055) 9.791 3.692 ( 2.546 0.000 7.383) 7.810 3.837 ( -2.103 0.000 1.024) 2.339 3.847 ( 0.690 0.000 -7.851) 7.882 3.865 ( -2.637 0.000 -1.674) 3.124 3.991 ( 2.101 0.000 3.572) 4.144 4.092 ( -0.577 0.000 -6.020) 6.048 4.446 ( 1.832 0.000 8.652) 8.844 4.552 ( 0.964 0.000 -2.246) 2.444 4.725 ( -4.574 0.000 3.345) 5.667 4.737 ( 3.317 0.000 2.844) 4.370 4.754 ( -3.366 0.000 1.077) 3.534 4.804 ( 2.342 0.000 -3.886) 4.537 4.862 ( 1.635 0.000 4.618) 4.899 4.913 ( 1.050 0.000 -0.777) 1.306 4.961 ( -0.758 0.000 7.585) 7.623 5.022 ( -0.719 0.000 1.966) 2.094 5.134 ( -2.281 0.000 5.394) 5.857 5.235 ( -1.422 0.000 -4.563) 4.780 5.248 ( -1.461 0.000 6.359) 6.525 5.282 ( 0.602 0.000 3.522) 3.573 5.440 ( -4.154 0.000 5.250) 6.695 5.471 ( -5.435 0.000 0.505) 5.458 5.486 ( -6.576 0.000 -2.948) 7.206 5.535 ( -4.975 0.000 -4.293) 6.571 5.633 ( -1.133 0.000 1.326) 1.744 5.675 ( 2.398 0.000 -2.966) 3.814 5.790 ( 1.120 0.000 1.677) 2.017 5.881 ( -6.616 0.000 2.772) 7.173 5.881 ( 0.879 0.000 -5.957) 6.022 5.932 ( -4.992 0.000 -1.924) 5.350 6.073 ( -1.761 0.000 3.362) 3.795 6.108 ( -2.845 0.000 -0.286) 2.860 6.197 ( 1.371 0.000 4.436) 4.643 6.305 ( -0.192 0.000 -6.329) 6.332 6.354 ( 0.479 0.000 7.878) 7.892 6.377 ( 6.232 0.000 3.456) 7.126 6.441 ( -0.851 0.000 4.609) 4.687 6.458 ( 4.277 0.000 -3.910) 5.795 6.545 ( -0.171 0.000 -6.136) 6.138 6.598 ( 0.298 0.000 -7.979) 7.984 6.822 ( 3.788 0.000 11.171) 11.796 6.844 ( 2.931 0.000 5.701) 6.410 6.924 ( 2.577 0.000 1.349) 2.909 6.925 ( 1.471 0.000 5.199) 5.403 7.046 ( 4.276 0.000 -6.890) 8.109 7.069 ( 3.014 0.000 -1.104) 3.210 7.075 ( 3.208 0.000 -11.720) 12.151 7.112 ( 3.811 0.000 -2.989) 4.844 7.437 ( -4.003 0.000 0.415) 4.024 7.455 ( -4.658 0.000 -1.274) 4.829 7.538 ( 0.497 0.000 1.772) 1.841 7.579 ( 1.336 0.000 -1.784) 2.229 7.647 ( -0.533 0.000 2.089) 2.155 7.683 ( -2.822 0.000 -1.327) 3.119 7.861 ( 0.834 0.000 6.720) 6.771 7.929 ( 2.778 0.000 6.625) 7.184 7.958 ( -1.513 0.000 -4.250) 4.511 7.991 ( 1.636 0.000 1.705) 2.363 8.079 ( 1.908 0.000 -2.448) 3.104 8.121 ( -0.646 0.000 -4.412) 4.459 8.277 ( -2.216 0.000 17.038) 17.181 8.393 ( 0.428 0.000 7.295) 7.308 8.431 ( -4.540 0.000 3.645) 5.822 8.474 ( -0.638 0.000 -1.667) 1.785 8.616 ( 2.060 0.000 7.679) 7.951 8.660 ( 4.368 0.000 -3.045) 5.324 8.751 ( -0.881 0.000 2.753) 2.891 8.786 ( 2.571 0.000 -12.130) 12.400 8.824 ( 0.413 0.000 -4.157) 4.178 8.905 ( -1.353 0.000 -11.676) 11.754 8.905 ( -5.378 0.000 12.132) 13.271 8.933 ( -2.227 0.000 8.459) 8.747 9.094 ( 1.198 0.000 4.719) 4.869 9.124 ( 0.072 0.000 1.592) 1.594 9.248 ( 0.824 0.000 6.865) 6.914 9.359 ( 3.020 0.000 -4.770) 5.646 9.457 ( 0.191 0.000 10.320) 10.322 9.492 ( 0.687 0.000 -1.703) 1.837 9.531 ( -2.447 0.000 1.176) 2.715 9.535 ( -0.796 0.000 0.039) 0.797 9.606 ( -2.723 0.000 2.015) 3.388 9.634 ( -4.071 0.000 2.998) 5.056 9.643 ( 5.879 0.000 -1.134) 5.987 9.765 ( 2.567 0.000 1.861) 3.171 9.844 ( 3.009 0.000 -4.956) 5.798 9.910 ( -1.179 0.000 -12.310) 12.367 10.048 ( -0.118 0.000 2.764) 2.766 10.113 ( 0.487 0.000 -3.723) 3.755 10.124 ( -5.297 0.000 4.430) 6.905 10.131 ( -3.963 0.000 -7.627) 8.596 10.253 ( 2.403 0.000 5.332) 5.849 10.337 ( 2.910 0.000 -8.850) 9.316 10.417 ( 2.882 0.000 -2.458) 3.788 10.456 ( -1.367 0.000 -13.374) 13.444 10.520 ( -5.189 0.000 0.485) 5.211 10.715 ( 0.260 0.000 3.255) 3.266 10.731 ( 0.227 0.000 -11.229) 11.232 10.758 ( -0.142 0.000 -1.207) 1.215 10.837 ( -1.919 0.000 1.172) 2.249 10.853 ( -1.087 0.000 0.859) 1.385 10.877 ( -2.188 0.000 -3.077) 3.776 10.910 ( -3.944 0.000 -4.273) 5.815 11.162 ( -0.686 0.000 3.302) 3.372 11.218 ( 1.370 0.000 -1.906) 2.347 11.279 ( 0.063 0.000 1.445) 1.446 11.318 ( 0.385 0.000 -2.784) 2.810 11.377 ( 0.500 0.000 5.878) 5.899 11.442 ( -0.900 0.000 0.746) 1.169 11.455 ( 3.106 0.000 1.979) 3.683 11.488 ( 4.007 0.000 3.220) 5.140 11.515 ( 1.006 0.000 -3.297) 3.447 11.520 ( 2.676 0.000 -0.749) 2.778 11.536 ( 2.088 0.000 -3.133) 3.765 11.643 ( 2.562 0.000 -10.280) 10.594 11.764 ( -0.207 0.000 7.882) 7.885 11.788 ( 2.442 0.000 1.097) 2.677 11.835 ( 3.152 0.000 -3.691) 4.854 11.839 ( 0.267 0.000 0.406) 0.486 11.903 ( -0.153 0.000 -1.142) 1.152 11.990 ( -1.407 0.000 -10.501) 10.595 11.993 ( -1.418 0.000 4.807) 5.012 12.047 ( -1.961 0.000 -0.380) 1.998 12.119 ( 1.195 0.000 8.662) 8.744 12.149 ( 0.858 0.000 8.086) 8.131 12.284 ( -1.485 0.000 1.137) 1.871 12.291 ( -0.426 0.000 -5.418) 5.435 12.335 ( 0.659 0.000 -1.148) 1.323 12.342 ( -3.681 0.000 3.421) 5.025 12.380 ( -1.887 0.000 -0.276) 1.907 12.476 ( -1.361 0.000 -4.649) 4.844 12.547 ( -0.005 0.000 1.964) 1.965 12.555 ( -0.562 0.000 -2.557) 2.618 12.630 ( 0.091 0.000 -3.605) 3.606 12.652 ( -0.333 0.000 -4.332) 4.345 13.254 ( -0.208 0.000 2.779) 2.787 13.283 ( -0.744 0.000 0.685) 1.011 13.391 ( 0.611 0.000 -3.860) 3.908 13.413 ( 0.856 0.000 -5.122) 5.193 ======================= Grid point 102 (39/45) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 2.598 0.000 10.091) 10.420 1.759 ( -5.756 0.000 6.229) 8.482 1.836 ( 1.898 0.000 -5.778) 6.082 1.885 ( -2.535 0.000 -5.897) 6.419 1.946 ( 8.182 0.000 11.922) 14.460 2.089 ( -4.822 0.000 -1.326) 5.001 2.435 ( 6.585 0.000 2.823) 7.164 2.439 ( 8.299 0.000 2.540) 8.679 2.538 ( -2.651 0.000 3.342) 4.266 2.580 ( -2.982 0.000 -0.486) 3.021 2.793 ( -1.351 0.000 -1.657) 2.138 2.855 ( -6.500 0.000 -6.876) 9.462 3.100 ( 4.602 0.000 1.514) 4.844 3.153 ( -0.478 0.000 -3.761) 3.791 3.397 ( 0.044 0.000 0.083) 0.094 3.426 ( -2.379 0.000 -2.831) 3.698 3.595 ( 7.624 0.000 10.628) 13.080 3.685 ( -0.622 0.000 7.196) 7.223 3.784 ( 6.255 0.000 -4.818) 7.896 3.806 ( -0.698 0.000 0.968) 1.193 3.816 ( -1.737 0.000 -0.039) 1.738 3.856 ( -0.732 0.000 -6.540) 6.581 4.032 ( 1.796 0.000 0.029) 1.796 4.066 ( -1.665 0.000 -3.135) 3.550 4.507 ( 4.739 0.000 5.873) 7.546 4.566 ( 1.091 0.000 -0.327) 1.139 4.619 ( -5.093 0.000 3.027) 5.925 4.644 ( -6.879 0.000 0.939) 6.943 4.812 ( 3.738 0.000 2.756) 4.644 4.860 ( 0.475 0.000 -0.471) 0.669 4.904 ( 1.900 0.000 3.537) 4.015 4.926 ( -0.170 0.000 1.070) 1.084 4.968 ( 3.474 0.000 3.940) 5.253 5.018 ( 1.464 0.000 0.713) 1.629 5.056 ( -4.461 0.000 4.342) 6.225 5.140 ( -7.715 0.000 -4.532) 8.948 5.207 ( -0.867 0.000 3.451) 3.558 5.244 ( -3.900 0.000 0.063) 3.901 5.406 ( 1.148 0.000 0.405) 1.218 5.410 ( 1.302 0.000 3.599) 3.827 5.442 ( -1.193 0.000 -2.747) 2.995 5.455 ( -2.828 0.000 -0.883) 2.963 5.650 ( 3.322 0.000 5.344) 6.292 5.724 ( 0.195 0.000 1.284) 1.299 5.763 ( -0.742 0.000 -1.634) 1.795 5.785 ( -1.686 0.000 1.688) 2.386 5.820 ( -4.630 0.000 -1.808) 4.971 5.836 ( -4.513 0.000 -4.880) 6.647 6.060 ( 0.284 0.000 1.506) 1.533 6.070 ( -0.888 0.000 0.583) 1.062 6.246 ( 2.545 0.000 1.735) 3.080 6.288 ( -1.522 0.000 -2.253) 2.719 6.376 ( 1.641 0.000 4.727) 5.004 6.414 ( -1.854 0.000 2.323) 2.972 6.490 ( 3.740 0.000 1.460) 4.015 6.515 ( 1.097 0.000 -0.438) 1.182 6.553 ( 1.078 0.000 -4.714) 4.836 6.581 ( -1.486 0.000 -6.394) 6.564 6.905 ( 3.238 0.000 11.786) 12.222 6.938 ( -0.131 0.000 9.158) 9.159 6.949 ( 7.208 0.000 3.731) 8.117 7.021 ( 6.149 0.000 -1.424) 6.312 7.081 ( -3.137 0.000 0.109) 3.138 7.115 ( 2.786 0.000 -7.006) 7.540 7.136 ( 1.285 0.000 -9.315) 9.403 7.142 ( -2.587 0.000 -3.894) 4.675 7.332 ( -3.714 0.000 0.521) 3.750 7.346 ( -4.030 0.000 -0.893) 4.127 7.564 ( 1.960 0.000 -0.821) 2.125 7.594 ( -0.386 0.000 -3.212) 3.235 7.658 ( 0.881 0.000 1.177) 1.470 7.665 ( 0.296 0.000 0.380) 0.481 7.881 ( 1.341 0.000 1.955) 2.371 7.919 ( -2.194 0.000 -2.279) 3.164 7.997 ( 3.837 0.000 5.605) 6.793 8.043 ( 2.219 0.000 0.922) 2.403 8.078 ( -2.153 0.000 1.450) 2.596 8.095 ( -1.249 0.000 -1.336) 1.829 8.265 ( 1.686 0.000 14.277) 14.376 8.337 ( -4.643 0.000 7.401) 8.737 8.415 ( 1.524 0.000 -1.208) 1.944 8.449 ( -1.697 0.000 -3.456) 3.850 8.666 ( 2.731 0.000 8.188) 8.631 8.719 ( -2.281 0.000 6.648) 7.029 8.735 ( 3.134 0.000 2.243) 3.854 8.799 ( -3.211 0.000 4.021) 5.145 8.843 ( 1.393 0.000 -7.682) 7.807 8.849 ( 1.673 0.000 -0.767) 1.841 8.874 ( -1.565 0.000 -9.335) 9.466 8.888 ( -2.038 0.000 2.264) 3.046 9.105 ( 0.481 0.000 1.646) 1.715 9.119 ( -0.683 0.000 1.578) 1.719 9.293 ( 3.582 0.000 10.025) 10.646 9.379 ( -3.583 0.000 7.532) 8.341 9.451 ( 1.866 0.000 1.217) 2.228 9.497 ( -1.180 0.000 1.590) 1.980 9.507 ( 0.737 0.000 0.345) 0.814 9.521 ( -0.670 0.000 0.716) 0.980 9.558 ( -1.099 0.000 0.736) 1.322 9.578 ( -1.870 0.000 1.197) 2.221 9.790 ( 8.215 0.000 1.316) 8.320 9.817 ( 2.746 0.000 -1.422) 3.092 9.871 ( -2.397 0.000 -6.259) 6.702 9.918 ( 1.740 0.000 6.207) 6.446 9.985 ( -4.982 0.000 -12.913) 13.841 10.047 ( -4.912 0.000 -5.389) 7.292 10.055 ( 1.117 0.000 -1.171) 1.618 10.094 ( -2.150 0.000 -4.112) 4.641 10.313 ( 3.365 0.000 0.897) 3.482 10.388 ( 2.096 0.000 -8.875) 9.119 10.390 ( -4.344 0.000 -5.059) 6.668 10.424 ( -1.644 0.000 -10.644) 10.771 10.546 ( 6.637 0.000 4.313) 7.915 10.686 ( -5.892 0.000 -6.903) 9.076 10.735 ( 1.722 0.000 1.681) 2.407 10.763 ( 0.184 0.000 -1.325) 1.337 10.796 ( -1.377 0.000 0.905) 1.648 10.822 ( 0.501 0.000 -1.747) 1.818 10.822 ( -2.821 0.000 -1.967) 3.439 10.856 ( -2.078 0.000 -3.651) 4.201 11.184 ( 2.512 0.000 3.625) 4.411 11.244 ( -2.738 0.000 2.893) 3.983 11.258 ( 2.113 0.000 -4.124) 4.633 11.301 ( -1.803 0.000 -3.545) 3.977 11.395 ( 1.160 0.000 3.962) 4.129 11.420 ( -1.242 0.000 1.840) 2.220 11.513 ( 1.943 0.000 4.945) 5.314 11.525 ( 0.688 0.000 4.062) 4.120 11.569 ( 1.619 0.000 -1.972) 2.551 11.574 ( 1.154 0.000 -2.757) 2.989 11.603 ( 4.980 0.000 -2.614) 5.624 11.671 ( -1.009 0.000 -7.394) 7.463 11.773 ( 2.033 0.000 3.293) 3.870 11.826 ( -1.995 0.000 -2.175) 2.952 11.852 ( 3.527 0.000 2.355) 4.241 11.894 ( 1.171 0.000 -1.246) 1.710 11.914 ( 1.457 0.000 -4.569) 4.795 11.952 ( -2.105 0.000 -8.542) 8.797 11.960 ( -0.653 0.000 1.919) 2.027 11.997 ( -2.746 0.000 -0.861) 2.878 12.159 ( 2.808 0.000 9.494) 9.900 12.183 ( 2.675 0.000 7.395) 7.864 12.226 ( -3.554 0.000 8.253) 8.986 12.255 ( -4.192 0.000 5.594) 6.990 12.295 ( 0.778 0.000 -2.898) 3.000 12.331 ( -2.505 0.000 -1.442) 2.890 12.373 ( 2.723 0.000 -7.120) 7.623 12.432 ( -2.824 0.000 -7.025) 7.571 12.547 ( -0.055 0.000 1.626) 1.626 12.547 ( -0.144 0.000 0.570) 0.588 12.634 ( 0.334 0.000 -4.356) 4.368 12.643 ( -0.481 0.000 -4.562) 4.588 13.253 ( 0.251 0.000 1.805) 1.823 13.265 ( -0.855 0.000 0.869) 1.219 13.410 ( 0.964 0.000 -3.863) 3.981 13.422 ( -0.071 0.000 -4.666) 4.667 ======================= Grid point 105 (40/45) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 -13.557 12.553) 18.476 1.583 ( 0.000 -9.362 0.563) 9.379 1.840 ( 0.000 -4.249 4.681) 6.321 1.935 ( 0.000 -0.136 -3.030) 3.033 1.979 ( 0.000 2.276 2.206) 3.170 2.027 ( 0.000 0.576 -2.866) 2.924 2.357 ( 0.000 14.009 6.432) 15.415 2.446 ( 0.000 -1.414 2.097) 2.529 2.457 ( 0.000 -5.385 3.106) 6.217 2.520 ( 0.000 6.876 -8.485) 10.921 2.973 ( 0.000 -0.771 7.601) 7.640 3.012 ( 0.000 0.614 2.869) 2.934 3.061 ( 0.000 -1.510 -0.380) 1.557 3.114 ( 0.000 -3.106 -4.579) 5.533 3.284 ( 0.000 -2.305 -1.566) 2.787 3.375 ( 0.000 -4.647 -8.163) 9.393 3.514 ( 0.000 4.985 2.465) 5.561 3.563 ( 0.000 2.726 -2.093) 3.437 3.665 ( 0.000 0.903 7.568) 7.621 3.805 ( 0.000 -2.001 -5.900) 6.230 3.902 ( 0.000 3.105 1.707) 3.543 3.950 ( 0.000 3.853 -2.594) 4.645 3.998 ( 0.000 2.533 3.134) 4.030 4.100 ( 0.000 0.572 -6.010) 6.037 4.456 ( 0.000 2.479 6.555) 7.008 4.539 ( 0.000 0.143 -1.911) 1.916 4.655 ( 0.000 -2.975 6.297) 6.964 4.740 ( 0.000 -2.584 -0.177) 2.590 4.792 ( 0.000 -1.403 0.784) 1.607 4.799 ( 0.000 0.160 1.456) 1.464 4.846 ( 0.000 0.462 2.999) 3.034 4.860 ( 0.000 0.404 0.600) 0.724 4.991 ( 0.000 1.153 7.037) 7.131 5.053 ( 0.000 -0.057 0.671) 0.674 5.150 ( 0.000 -0.003 2.947) 2.947 5.207 ( 0.000 -2.966 -2.547) 3.910 5.323 ( 0.000 6.160 5.910) 8.536 5.333 ( 0.000 5.370 4.789) 7.196 5.452 ( 0.000 -2.383 4.178) 4.809 5.531 ( 0.000 -3.408 -4.689) 5.797 5.548 ( 0.000 -0.990 0.456) 1.089 5.605 ( 0.000 -2.347 -5.700) 6.165 5.661 ( 0.000 3.075 5.014) 5.882 5.725 ( 0.000 3.481 -1.604) 3.833 5.751 ( 0.000 0.667 0.101) 0.674 5.838 ( 0.000 -1.153 -6.098) 6.206 5.952 ( 0.000 -1.910 1.429) 2.385 5.968 ( 0.000 -0.766 1.115) 1.353 6.085 ( 0.000 -1.119 3.749) 3.912 6.141 ( 0.000 -0.838 -1.754) 1.944 6.206 ( 0.000 -5.651 1.696) 5.900 6.222 ( 0.000 0.610 3.816) 3.864 6.262 ( 0.000 -8.330 -3.802) 9.156 6.288 ( 0.000 -0.988 -0.731) 1.230 6.438 ( 0.000 4.068 5.433) 6.788 6.513 ( 0.000 4.993 3.871) 6.318 6.521 ( 0.000 -1.723 0.409) 1.771 6.649 ( 0.000 2.799 -7.592) 8.091 6.745 ( 0.000 -5.522 3.356) 6.462 6.752 ( 0.000 -4.822 3.284) 5.834 6.786 ( 0.000 1.386 -0.455) 1.459 6.851 ( 0.000 -7.112 -4.384) 8.355 6.997 ( 0.000 -0.725 5.976) 6.020 7.100 ( 0.000 4.195 -2.425) 4.845 7.122 ( 0.000 6.814 -4.010) 7.907 7.139 ( 0.000 2.375 -6.971) 7.364 7.407 ( 0.000 -2.798 -1.802) 3.329 7.411 ( 0.000 -3.611 -1.946) 4.102 7.506 ( 0.000 -1.493 1.332) 2.001 7.526 ( 0.000 -0.364 -0.222) 0.426 7.810 ( 0.000 6.015 1.876) 6.301 7.836 ( 0.000 3.928 0.342) 3.942 7.888 ( 0.000 0.117 5.975) 5.976 7.917 ( 0.000 6.356 2.284) 6.754 7.940 ( 0.000 0.484 3.184) 3.221 7.981 ( 0.000 -3.859 3.129) 4.968 8.029 ( 0.000 0.511 2.823) 2.869 8.101 ( 0.000 -1.681 -5.202) 5.467 8.334 ( 0.000 -0.783 3.526) 3.612 8.365 ( 0.000 -1.354 3.893) 4.122 8.421 ( 0.000 2.122 8.746) 9.000 8.522 ( 0.000 -2.990 7.773) 8.328 8.620 ( 0.000 5.166 1.704) 5.439 8.702 ( 0.000 5.073 -3.570) 6.204 8.736 ( 0.000 -0.886 -11.657) 11.691 8.754 ( 0.000 0.524 0.909) 1.049 8.829 ( 0.000 0.548 -2.328) 2.392 8.873 ( 0.000 -3.195 -5.864) 6.678 8.987 ( 0.000 1.987 6.683) 6.972 9.013 ( 0.000 1.560 10.992) 11.102 9.060 ( 0.000 0.497 1.679) 1.751 9.144 ( 0.000 0.999 -4.609) 4.716 9.267 ( 0.000 1.117 6.378) 6.475 9.305 ( 0.000 -0.964 0.927) 1.337 9.437 ( 0.000 -1.223 8.906) 8.989 9.451 ( 0.000 -2.450 -2.090) 3.220 9.520 ( 0.000 -1.689 5.301) 5.563 9.532 ( 0.000 -1.917 -0.913) 2.123 9.566 ( 0.000 -0.874 1.735) 1.943 9.663 ( 0.000 0.799 -1.392) 1.605 9.677 ( 0.000 -1.477 5.406) 5.604 9.752 ( 0.000 2.972 -0.248) 2.983 9.829 ( 0.000 0.669 -7.831) 7.860 9.879 ( 0.000 -2.852 -13.585) 13.881 10.022 ( 0.000 -2.808 1.503) 3.185 10.063 ( 0.000 -4.029 2.681) 4.840 10.092 ( 0.000 -1.124 -1.852) 2.167 10.222 ( 0.000 -4.628 -10.184) 11.186 10.240 ( 0.000 4.031 -0.707) 4.093 10.361 ( 0.000 7.348 8.250) 11.048 10.445 ( 0.000 2.672 5.205) 5.851 10.467 ( 0.000 1.252 -14.733) 14.786 10.653 ( 0.000 4.295 -11.815) 12.571 10.696 ( 0.000 -1.702 -1.917) 2.564 10.729 ( 0.000 0.080 -4.621) 4.622 10.735 ( 0.000 -3.123 0.285) 3.136 10.842 ( 0.000 0.381 2.997) 3.021 10.884 ( 0.000 1.936 -0.129) 1.940 10.932 ( 0.000 2.256 -2.458) 3.337 10.966 ( 0.000 0.559 -6.375) 6.399 11.150 ( 0.000 -2.762 1.929) 3.369 11.193 ( 0.000 -3.217 -2.381) 4.002 11.235 ( 0.000 -1.004 0.967) 1.395 11.269 ( 0.000 -2.130 -2.551) 3.324 11.372 ( 0.000 -2.432 0.696) 2.530 11.398 ( 0.000 -1.968 -0.378) 2.004 11.404 ( 0.000 0.804 3.676) 3.763 11.453 ( 0.000 0.977 3.310) 3.451 11.480 ( 0.000 0.950 -0.719) 1.192 11.515 ( 0.000 0.344 -1.764) 1.797 11.621 ( 0.000 4.896 0.461) 4.918 11.675 ( 0.000 4.881 -6.717) 8.303 11.748 ( 0.000 -1.669 8.203) 8.371 11.754 ( 0.000 -0.365 -0.461) 0.588 11.797 ( 0.000 0.450 -4.495) 4.518 11.839 ( 0.000 0.242 1.092) 1.119 11.907 ( 0.000 -0.392 0.538) 0.666 11.988 ( 0.000 -1.710 -9.663) 9.813 12.019 ( 0.000 0.722 2.342) 2.451 12.051 ( 0.000 -1.636 -0.799) 1.821 12.072 ( 0.000 -0.464 8.160) 8.173 12.195 ( 0.000 3.055 8.292) 8.837 12.250 ( 0.000 -1.331 -8.794) 8.894 12.288 ( 0.000 -1.750 4.320) 4.661 12.375 ( 0.000 1.873 -3.498) 3.968 12.386 ( 0.000 -0.616 0.207) 0.650 12.408 ( 0.000 1.860 3.901) 4.322 12.487 ( 0.000 -0.473 -0.300) 0.560 12.523 ( 0.000 -2.018 1.485) 2.506 12.564 ( 0.000 0.261 -6.098) 6.104 12.626 ( 0.000 -0.352 -3.590) 3.607 12.630 ( 0.000 -2.197 -3.542) 4.167 13.269 ( 0.000 1.136 2.320) 2.583 13.294 ( 0.000 0.422 0.715) 0.830 13.380 ( 0.000 -1.064 -4.845) 4.960 13.382 ( 0.000 -1.176 -3.913) 4.086 ======================= Grid point 106 (41/45) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 5.937 -10.012 9.950) 15.313 1.614 ( 3.161 -8.192 1.393) 8.890 1.850 ( -0.655 -0.994 4.759) 4.905 1.931 ( -3.953 2.537 -0.259) 4.704 1.971 ( 1.560 0.946 1.051) 2.105 2.046 ( 4.053 -2.476 -3.345) 5.809 2.387 ( -2.938 -0.585 4.467) 5.379 2.418 ( 0.996 7.791 3.316) 8.526 2.457 ( 1.759 -6.263 2.665) 7.030 2.564 ( 3.632 7.513 -6.914) 10.837 2.948 ( -4.056 2.221 3.414) 5.748 3.003 ( 2.904 -0.906 5.745) 6.500 3.034 ( -3.633 1.358 -4.752) 6.134 3.124 ( 0.953 -2.451 -4.637) 5.331 3.320 ( 2.491 -3.138 2.096) 4.522 3.409 ( 1.056 -3.780 -6.021) 7.187 3.528 ( 2.250 4.122 4.527) 6.523 3.598 ( 3.231 0.056 -1.629) 3.618 3.677 ( 1.477 -0.889 4.135) 4.480 3.764 ( -2.735 -3.903 -3.198) 5.740 3.897 ( -0.508 3.899 0.017) 3.932 3.929 ( -1.477 4.273 -2.194) 5.025 4.022 ( 1.703 1.955 1.886) 3.206 4.093 ( -0.821 0.075 -4.601) 4.674 4.489 ( 2.570 3.599 6.508) 7.868 4.559 ( 1.456 0.663 -0.914) 1.843 4.680 ( 1.858 -2.258 5.102) 5.880 4.751 ( 1.306 -3.284 -0.967) 3.664 4.759 ( -2.168 0.752 2.258) 3.220 4.775 ( -1.592 0.772 1.483) 2.308 4.876 ( 2.479 0.844 2.569) 3.668 4.894 ( 2.750 -0.076 0.823) 2.871 5.008 ( 0.862 2.766 5.735) 6.426 5.056 ( -0.027 1.347 1.575) 2.073 5.117 ( -4.015 -0.530 3.789) 5.546 5.193 ( -2.074 -3.167 -3.512) 5.164 5.296 ( -1.864 3.483 5.291) 6.603 5.318 ( -1.865 2.279 4.160) 5.097 5.397 ( -3.570 -1.452 3.956) 5.523 5.466 ( -6.389 -1.586 -3.903) 7.653 5.484 ( -4.283 -0.481 -2.764) 5.121 5.498 ( -4.903 -0.790 -2.335) 5.488 5.675 ( -1.038 1.249 1.027) 1.922 5.695 ( 0.080 2.705 -0.962) 2.872 5.796 ( 1.079 0.495 0.299) 1.224 5.839 ( -3.454 -2.431 -1.701) 4.554 5.908 ( -1.042 0.592 -0.032) 1.199 5.937 ( -3.699 0.280 -0.988) 3.839 6.067 ( -1.033 -0.625 3.113) 3.339 6.103 ( -2.525 -0.724 -0.448) 2.664 6.163 ( 0.606 -3.376 3.286) 4.750 6.232 ( -0.198 -5.939 -3.209) 6.753 6.325 ( 4.813 -2.383 2.152) 5.786 6.348 ( 2.756 -3.622 1.531) 4.802 6.432 ( -0.309 2.488 4.541) 5.187 6.508 ( -1.069 1.009 -0.652) 1.608 6.550 ( 2.292 2.032 0.144) 3.067 6.674 ( -0.211 5.362 -8.714) 10.234 6.764 ( 2.920 -4.894 2.690) 6.302 6.776 ( 2.741 -3.789 1.551) 4.927 6.800 ( 3.009 -3.051 7.353) 8.510 6.893 ( 2.601 -7.183 0.125) 7.641 7.062 ( 4.951 -1.263 0.675) 5.154 7.110 ( 1.301 5.199 -3.062) 6.173 7.132 ( 1.637 3.057 -3.398) 4.855 7.190 ( 3.145 3.632 -5.854) 7.573 7.392 ( -0.753 -1.292 0.089) 1.498 7.426 ( -0.483 -0.824 -2.373) 2.558 7.505 ( 0.437 -0.786 2.232) 2.406 7.551 ( 2.571 -0.954 -1.998) 3.393 7.742 ( -6.102 4.698 0.195) 7.704 7.752 ( -5.672 2.499 -1.061) 6.289 7.874 ( 1.182 0.409 6.090) 6.217 7.940 ( 0.774 0.815 1.691) 2.030 7.983 ( 2.550 2.658 3.111) 4.822 8.003 ( 1.296 -0.437 2.424) 2.783 8.049 ( 1.735 0.036 2.996) 3.463 8.107 ( -0.137 -1.325 -1.437) 1.959 8.311 ( -2.120 0.114 4.211) 4.716 8.323 ( -2.929 -1.450 2.793) 4.299 8.440 ( 1.652 2.587 5.878) 6.631 8.560 ( 3.011 -2.416 8.316) 9.168 8.597 ( -2.022 5.811 -0.684) 6.191 8.711 ( 0.328 0.736 2.219) 2.361 8.753 ( 0.971 1.870 -5.013) 5.438 8.782 ( 2.848 0.404 -4.780) 5.578 8.828 ( -0.020 0.287 -3.600) 3.611 8.857 ( -1.355 -2.149 -4.161) 4.875 8.943 ( -3.277 2.211 7.912) 8.844 8.982 ( -2.066 3.122 3.359) 5.030 9.080 ( 0.622 -0.973 3.012) 3.226 9.130 ( -1.163 0.197 -3.287) 3.492 9.270 ( 0.731 1.290 7.791) 7.931 9.338 ( 2.554 -1.702 -0.481) 3.106 9.425 ( -1.459 -3.273 9.957) 10.582 9.456 ( 0.402 -1.935 0.927) 2.183 9.507 ( -1.359 -1.632 4.302) 4.798 9.515 ( -0.879 -1.589 0.755) 1.967 9.570 ( -0.662 -2.216 -0.337) 2.337 9.611 ( -4.299 -2.239 4.174) 6.397 9.697 ( 4.061 3.478 -2.483) 5.895 9.784 ( 2.156 2.188 -0.152) 3.075 9.855 ( 2.739 0.383 -6.815) 7.355 9.902 ( 0.577 -0.728 -13.359) 13.391 10.007 ( -1.015 -2.672 4.062) 4.966 10.063 ( -0.016 -4.155 2.164) 4.684 10.099 ( 0.041 -1.092 -4.344) 4.480 10.140 ( -5.250 -0.387 -7.475) 9.142 10.296 ( 2.804 1.111 -2.225) 3.748 10.348 ( -0.484 4.201 3.305) 5.367 10.458 ( -1.105 1.773 -10.965) 11.162 10.483 ( 3.399 3.044 4.637) 6.506 10.560 ( -6.597 2.808 -7.588) 10.439 10.697 ( -0.180 -1.471 -1.086) 1.838 10.730 ( 0.975 -0.853 -6.289) 6.421 10.742 ( -0.725 -1.690 -3.214) 3.703 10.837 ( -2.160 0.945 0.428) 2.396 10.859 ( -1.508 1.711 -0.975) 2.480 10.913 ( -1.006 2.115 -1.235) 2.647 10.946 ( -1.740 2.793 -4.124) 5.275 11.139 ( -0.206 -1.889 2.751) 3.344 11.191 ( 1.327 -2.535 -2.291) 3.665 11.259 ( -0.069 -1.729 1.443) 2.252 11.296 ( 0.581 -2.003 -2.686) 3.401 11.378 ( 1.319 -0.685 1.986) 2.480 11.405 ( 0.902 -2.652 -1.024) 2.982 11.442 ( 3.349 0.258 2.508) 4.192 11.477 ( 1.672 0.567 3.120) 3.585 11.511 ( 3.349 1.042 -0.522) 3.546 11.546 ( 2.600 0.660 -1.058) 2.884 11.619 ( -0.181 4.704 -0.076) 4.708 11.680 ( 0.389 2.948 -7.584) 8.146 11.742 ( -0.131 -1.263 5.376) 5.524 11.774 ( 1.754 -1.391 2.800) 3.585 11.828 ( 2.313 -0.227 -4.135) 4.743 11.847 ( 0.710 0.308 -0.416) 0.879 11.896 ( -0.765 -0.679 0.103) 1.028 11.974 ( -1.418 -1.582 -8.185) 8.456 12.007 ( -1.213 0.713 1.564) 2.103 12.030 ( -1.329 -1.376 -0.010) 1.913 12.100 ( 2.173 -0.019 6.675) 7.020 12.187 ( -0.526 2.088 6.941) 7.268 12.262 ( 0.971 -0.973 -6.113) 6.266 12.268 ( -1.876 -1.410 5.088) 5.603 12.345 ( -3.366 0.227 2.497) 4.197 12.366 ( -1.020 1.091 -3.499) 3.805 12.401 ( -0.517 2.283 1.468) 2.763 12.476 ( -1.124 -0.443 -1.417) 1.862 12.525 ( 0.193 -1.773 1.356) 2.240 12.553 ( -0.869 0.129 -4.684) 4.766 12.625 ( -0.104 -0.575 -3.811) 3.856 12.629 ( -0.118 -1.992 -3.674) 4.180 13.268 ( -0.083 1.292 1.878) 2.281 13.290 ( -0.469 0.718 0.284) 0.904 13.378 ( 0.483 -1.178 -3.479) 3.705 13.398 ( 0.729 -1.378 -4.678) 4.931 ======================= Grid point 107 (42/45) ======================= q-point: ( 0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 6.339 -2.025 6.399) 9.232 1.709 ( 5.068 -5.888 2.101) 8.048 1.779 ( -4.531 0.685 3.039) 5.499 1.839 ( -5.013 -0.427 -0.738) 5.085 2.037 ( 5.026 1.869 4.924) 7.280 2.122 ( -0.228 0.171 -1.405) 1.433 2.312 ( -0.400 -9.977 3.960) 10.741 2.379 ( -4.039 -8.437 -1.914) 9.548 2.563 ( 5.630 7.611 4.126) 10.327 2.621 ( 0.632 8.234 -1.594) 8.410 2.895 ( -0.222 5.594 0.196) 5.602 2.948 ( -4.405 5.255 -4.339) 8.115 3.088 ( 4.893 -0.978 1.357) 5.171 3.139 ( 0.294 -1.196 -3.421) 3.636 3.339 ( 0.043 -4.699 1.834) 5.044 3.379 ( -3.341 -4.390 -2.396) 6.015 3.607 ( 3.800 0.321 5.385) 6.599 3.638 ( 0.328 -2.783 3.063) 4.151 3.725 ( 1.869 -4.102 -0.847) 4.587 3.735 ( -0.101 -5.254 -1.550) 5.479 3.893 ( 0.481 4.810 -0.584) 4.869 3.908 ( -0.741 4.179 -1.755) 4.593 4.051 ( 1.134 1.063 -0.402) 1.605 4.072 ( -1.068 0.354 -2.411) 2.661 4.556 ( 4.575 3.811 4.174) 7.272 4.589 ( 1.888 2.305 0.923) 3.119 4.653 ( -3.612 2.844 4.225) 6.244 4.674 ( -5.702 3.037 2.469) 6.916 4.815 ( 4.807 -0.593 2.380) 5.397 4.839 ( 5.588 -3.600 2.497) 7.101 4.909 ( -0.164 2.940 0.663) 3.018 4.941 ( 0.538 1.936 -0.186) 2.018 4.997 ( -3.253 -0.741 3.923) 5.150 5.021 ( -2.457 1.453 2.099) 3.543 5.029 ( -0.819 -0.601 3.577) 3.719 5.102 ( -5.773 -1.805 -3.750) 7.116 5.262 ( -0.113 3.704 2.209) 4.314 5.293 ( -2.500 3.300 -0.379) 4.158 5.357 ( -0.154 -3.913 1.930) 4.366 5.368 ( -0.461 -1.670 3.306) 3.733 5.419 ( -1.271 -2.268 -3.006) 3.975 5.443 ( -2.377 -0.963 -2.925) 3.890 5.665 ( 0.750 -0.393 3.021) 3.138 5.696 ( -1.493 -1.938 -0.158) 2.451 5.777 ( 0.133 0.569 1.309) 1.433 5.803 ( 1.147 2.733 -1.915) 3.529 5.843 ( -4.049 1.745 0.284) 4.418 5.874 ( -3.607 2.100 -2.922) 5.095 6.062 ( 0.506 0.208 1.723) 1.808 6.073 ( -0.607 0.100 0.718) 0.945 6.198 ( 1.882 -4.389 1.014) 4.882 6.225 ( -0.766 -5.269 -1.697) 5.588 6.381 ( 1.312 -1.104 3.784) 4.155 6.392 ( 0.532 -1.166 2.261) 2.599 6.444 ( 1.584 -3.400 2.365) 4.434 6.476 ( -1.677 -2.630 -0.334) 3.137 6.596 ( 2.218 3.238 -1.776) 4.308 6.641 ( -2.183 4.052 -5.258) 6.987 6.825 ( 2.960 -4.542 5.513) 7.732 6.855 ( 1.681 -5.950 5.270) 8.124 6.871 ( 4.017 -2.180 0.882) 4.655 6.931 ( 0.095 -6.505 -0.044) 6.505 7.112 ( 1.838 1.092 -1.060) 2.387 7.147 ( -0.167 -1.570 -3.432) 3.777 7.200 ( 4.621 5.398 -1.359) 7.234 7.242 ( 1.556 6.546 -5.028) 8.399 7.358 ( -2.643 1.959 0.854) 3.399 7.372 ( -3.353 2.305 0.823) 4.152 7.541 ( 2.948 -0.464 1.127) 3.190 7.609 ( -0.615 1.055 -4.956) 5.105 7.632 ( -1.123 -1.167 0.756) 1.788 7.671 ( -2.310 0.136 -2.823) 3.650 7.912 ( 1.991 0.434 3.988) 4.478 7.942 ( -0.768 0.866 1.829) 2.164 8.021 ( 1.935 -0.864 3.471) 4.067 8.042 ( 1.795 -1.236 1.380) 2.579 8.071 ( -0.665 1.210 2.803) 3.125 8.085 ( -1.026 2.352 1.139) 2.807 8.270 ( -0.922 -1.454 2.918) 3.388 8.281 ( -1.346 0.358 1.483) 2.034 8.479 ( 2.193 4.042 4.519) 6.448 8.536 ( -3.361 5.970 3.256) 7.585 8.632 ( 3.502 -2.285 7.359) 8.464 8.693 ( -2.216 -1.499 6.512) 7.040 8.775 ( 1.461 1.929 -2.881) 3.762 8.809 ( -1.768 0.537 -2.294) 2.946 8.848 ( 2.837 0.863 -5.915) 6.616 8.854 ( 1.129 0.057 -3.622) 3.794 8.893 ( -1.204 2.305 4.065) 4.825 8.929 ( -3.057 3.396 0.616) 4.611 9.087 ( 0.425 -1.592 0.252) 1.667 9.104 ( -1.230 -1.236 -1.795) 2.503 9.303 ( 2.543 0.594 9.413) 9.769 9.364 ( -2.548 -1.444 6.794) 7.399 9.401 ( 1.724 -3.827 5.200) 6.683 9.445 ( -1.924 -3.461 2.446) 4.654 9.490 ( 0.203 -2.002 3.633) 4.153 9.501 ( -0.676 -1.397 2.696) 3.111 9.544 ( -0.613 -1.716 -0.297) 1.847 9.558 ( -1.355 -1.960 0.054) 2.383 9.809 ( 5.791 2.136 -0.382) 6.184 9.828 ( 2.012 1.542 -1.844) 3.134 9.887 ( -0.356 1.291 -6.898) 7.026 9.938 ( 3.941 0.407 -2.384) 4.624 9.960 ( -4.157 -1.272 -2.579) 5.055 10.032 ( -4.794 -0.779 -6.973) 8.498 10.059 ( 0.122 -1.070 -2.928) 3.120 10.082 ( -1.564 -0.902 -5.773) 6.049 10.341 ( 2.102 2.393 1.275) 3.431 10.369 ( 1.464 0.227 -4.887) 5.106 10.418 ( -2.008 0.939 -3.055) 3.775 10.450 ( -3.683 1.435 -7.136) 8.158 10.571 ( 4.907 2.251 -0.097) 5.400 10.666 ( -3.827 -0.994 -5.903) 7.105 10.729 ( 0.797 -1.698 -0.089) 1.878 10.750 ( -0.242 -2.449 -2.637) 3.607 10.796 ( -0.141 3.304 -0.300) 3.321 10.824 ( -1.966 2.843 -2.123) 4.057 10.902 ( -0.192 3.378 -1.263) 3.612 10.912 ( -1.287 4.398 -2.414) 5.179 11.163 ( 2.456 -1.790 3.097) 4.339 11.220 ( -1.967 -2.430 0.428) 3.155 11.234 ( 1.421 -1.716 -1.439) 2.652 11.277 ( -1.900 -2.080 -3.035) 4.141 11.407 ( 1.334 0.910 2.584) 3.047 11.423 ( 0.051 0.189 1.187) 1.203 11.503 ( 1.879 -1.026 2.758) 3.491 11.509 ( 1.199 -0.642 2.529) 2.871 11.588 ( 2.757 0.905 -1.213) 3.145 11.606 ( 3.275 1.120 -0.704) 3.532 11.615 ( -0.067 2.666 -0.934) 2.825 11.670 ( -1.951 0.129 -4.330) 4.751 11.757 ( 1.897 -0.846 1.505) 2.565 11.799 ( -0.885 -1.733 -0.603) 2.037 11.857 ( 1.460 -1.003 -0.217) 1.784 11.869 ( 0.922 -2.887 -2.928) 4.214 11.901 ( 1.156 0.578 -1.150) 1.730 11.935 ( -2.232 -0.507 -3.822) 4.455 11.982 ( -0.459 0.359 -1.176) 1.312 12.000 ( -1.598 -0.461 -2.055) 2.644 12.156 ( 3.135 0.294 7.153) 7.815 12.187 ( 0.653 0.535 6.626) 6.680 12.223 ( -1.905 -0.232 6.028) 6.326 12.256 ( -3.447 -0.603 3.121) 4.689 12.297 ( 0.924 1.167 -1.769) 2.312 12.331 ( -2.075 0.568 -1.703) 2.744 12.407 ( 1.223 2.064 -2.684) 3.600 12.443 ( -2.034 0.470 -3.533) 4.104 12.529 ( 0.240 -1.313 0.675) 1.496 12.537 ( -0.589 -0.577 -1.375) 1.604 12.624 ( 0.011 -1.033 -4.124) 4.252 12.626 ( -0.164 -1.569 -4.027) 4.324 13.269 ( 0.235 1.446 1.024) 1.787 13.278 ( -0.617 1.229 0.284) 1.405 13.394 ( 0.856 -1.446 -3.483) 3.868 13.405 ( -0.089 -1.538 -4.242) 4.513 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.000 -1.876 5.041) 5.379 1.363 ( 0.000 -9.114 -3.364) 9.715 1.822 ( 0.000 1.611 5.408) 5.643 1.882 ( 0.000 -3.625 -0.691) 3.691 2.062 ( 0.000 5.572 2.411) 6.072 2.092 ( 0.000 4.256 -0.685) 4.311 2.274 ( 0.000 -8.168 3.987) 9.089 2.281 ( 0.000 -7.317 3.154) 7.968 2.687 ( 0.000 12.442 0.365) 12.447 2.734 ( 0.000 7.561 -5.617) 9.419 2.936 ( 0.000 -2.600 4.474) 5.175 2.981 ( 0.000 -6.102 2.827) 6.726 3.012 ( 0.000 0.140 5.228) 5.230 3.039 ( 0.000 -2.895 2.326) 3.714 3.269 ( 0.000 0.447 -8.249) 8.261 3.299 ( 0.000 -2.587 -9.607) 9.950 3.588 ( 0.000 1.952 1.658) 2.561 3.599 ( 0.000 0.692 0.537) 0.876 3.707 ( 0.000 2.927 4.472) 5.345 3.764 ( 0.000 -2.264 -0.906) 2.438 3.975 ( 0.000 3.199 2.035) 3.791 4.008 ( 0.000 0.397 -0.384) 0.552 4.059 ( 0.000 3.464 -0.641) 3.523 4.104 ( 0.000 -0.658 -3.808) 3.864 4.501 ( 0.000 1.506 2.305) 2.753 4.527 ( 0.000 -1.225 -0.364) 1.278 4.629 ( 0.000 0.862 5.481) 5.549 4.675 ( 0.000 -3.160 1.574) 3.530 4.757 ( 0.000 -0.442 4.667) 4.688 4.775 ( 0.000 -1.675 3.061) 3.490 4.893 ( 0.000 3.063 1.964) 3.639 4.910 ( 0.000 2.132 -0.949) 2.334 5.001 ( 0.000 0.052 4.026) 4.027 5.021 ( 0.000 -2.170 2.508) 3.316 5.144 ( 0.000 -0.758 0.808) 1.108 5.148 ( 0.000 -1.865 -0.020) 1.865 5.396 ( 0.000 1.832 3.061) 3.567 5.434 ( 0.000 0.645 2.769) 2.843 5.493 ( 0.000 1.605 1.417) 2.141 5.497 ( 0.000 0.011 -3.187) 3.187 5.544 ( 0.000 4.060 -1.454) 4.312 5.569 ( 0.000 1.816 -2.874) 3.400 5.735 ( 0.000 -3.045 -0.520) 3.089 5.737 ( 0.000 4.266 5.065) 6.622 5.740 ( 0.000 -2.594 -1.051) 2.799 5.816 ( 0.000 -1.720 -2.159) 2.761 5.901 ( 0.000 -1.603 2.976) 3.381 5.925 ( 0.000 -2.895 1.167) 3.122 6.066 ( 0.000 -0.327 2.183) 2.208 6.099 ( 0.000 -4.416 -1.331) 4.612 6.116 ( 0.000 -1.862 -1.348) 2.299 6.119 ( 0.000 -1.594 -1.642) 2.288 6.251 ( 0.000 1.396 2.183) 2.591 6.272 ( 0.000 -0.747 0.869) 1.146 6.486 ( 0.000 0.756 1.008) 1.260 6.493 ( 0.000 -0.598 0.776) 0.979 6.618 ( 0.000 2.102 1.389) 2.520 6.629 ( 0.000 -1.420 1.313) 1.934 6.680 ( 0.000 -1.280 3.012) 3.273 6.683 ( 0.000 -1.507 1.340) 2.016 6.765 ( 0.000 1.563 3.457) 3.794 6.876 ( 0.000 -2.057 2.600) 3.315 6.938 ( 0.000 3.241 -5.324) 6.233 7.083 ( 0.000 -6.398 -9.802) 11.706 7.182 ( 0.000 3.192 1.768) 3.649 7.214 ( 0.000 0.954 -0.149) 0.966 7.390 ( 0.000 0.745 -2.980) 3.071 7.404 ( 0.000 0.184 -3.268) 3.273 7.538 ( 0.000 4.200 -0.873) 4.290 7.560 ( 0.000 3.062 -3.345) 4.535 7.771 ( 0.000 -3.763 -0.666) 3.821 7.798 ( 0.000 -5.118 -3.319) 6.100 7.922 ( 0.000 0.439 9.880) 9.890 7.930 ( 0.000 -0.876 9.954) 9.993 8.024 ( 0.000 0.318 7.854) 7.860 8.044 ( 0.000 5.863 1.386) 6.024 8.048 ( 0.000 0.003 4.149) 4.149 8.069 ( 0.000 2.338 1.800) 2.951 8.328 ( 0.000 0.636 -7.122) 7.151 8.350 ( 0.000 -0.937 -5.838) 5.913 8.456 ( 0.000 -0.009 9.062) 9.062 8.467 ( 0.000 -1.803 8.856) 9.038 8.689 ( 0.000 2.201 0.115) 2.204 8.712 ( 0.000 -0.511 -0.112) 0.523 8.784 ( 0.000 1.427 -7.405) 7.541 8.793 ( 0.000 0.577 -2.087) 2.165 8.835 ( 0.000 1.172 -1.308) 1.756 8.848 ( 0.000 1.018 -1.630) 1.922 9.028 ( 0.000 1.733 0.960) 1.982 9.042 ( 0.000 0.699 5.717) 5.760 9.073 ( 0.000 1.045 -1.112) 1.526 9.119 ( 0.000 -3.002 -7.445) 8.027 9.263 ( 0.000 -0.871 11.672) 11.704 9.277 ( 0.000 -2.011 7.075) 7.356 9.439 ( 0.000 1.688 5.959) 6.194 9.453 ( 0.000 2.414 1.446) 2.814 9.495 ( 0.000 0.572 10.372) 10.388 9.507 ( 0.000 -0.365 -0.505) 0.623 9.529 ( 0.000 -2.166 1.531) 2.652 9.593 ( 0.000 -5.530 8.502) 10.142 9.722 ( 0.000 3.604 -6.724) 7.629 9.802 ( 0.000 -3.026 -10.643) 11.065 9.822 ( 0.000 1.438 -3.617) 3.892 9.837 ( 0.000 0.246 -6.844) 6.849 9.973 ( 0.000 -0.998 1.656) 1.933 9.993 ( 0.000 -2.448 2.205) 3.295 10.095 ( 0.000 1.049 -8.378) 8.444 10.137 ( 0.000 -3.155 -10.399) 10.867 10.338 ( 0.000 4.912 4.078) 6.384 10.421 ( 0.000 -2.800 5.228) 5.930 10.504 ( 0.000 6.459 6.355) 9.061 10.558 ( 0.000 4.610 -10.763) 11.709 10.636 ( 0.000 -5.819 3.990) 7.056 10.645 ( 0.000 -3.263 -6.189) 6.996 10.720 ( 0.000 1.677 -9.167) 9.319 10.732 ( 0.000 0.051 -4.952) 4.952 10.875 ( 0.000 2.349 -2.066) 3.128 10.907 ( 0.000 -0.211 -3.373) 3.380 10.977 ( 0.000 1.702 -1.958) 2.594 10.987 ( 0.000 0.884 -3.843) 3.943 11.103 ( 0.000 -1.033 0.718) 1.258 11.119 ( 0.000 -2.783 -1.268) 3.058 11.211 ( 0.000 -0.947 -1.218) 1.543 11.221 ( 0.000 -1.977 -2.344) 3.066 11.345 ( 0.000 -0.273 0.299) 0.404 11.354 ( 0.000 -1.146 -0.732) 1.360 11.451 ( 0.000 2.085 2.852) 3.533 11.482 ( 0.000 -0.769 -0.315) 0.831 11.486 ( 0.000 1.984 3.257) 3.814 11.515 ( 0.000 -0.579 1.365) 1.483 11.679 ( 0.000 0.923 5.569) 5.645 11.703 ( 0.000 -1.838 7.309) 7.536 11.760 ( 0.000 2.497 -3.405) 4.222 11.771 ( 0.000 1.411 -3.128) 3.432 11.831 ( 0.000 1.962 -4.893) 5.271 11.841 ( 0.000 0.099 0.057) 0.114 11.896 ( 0.000 0.143 -0.360) 0.388 11.936 ( 0.000 -2.935 -7.043) 7.630 12.002 ( 0.000 -1.044 -0.893) 1.374 12.011 ( 0.000 -1.740 -1.457) 2.269 12.132 ( 0.000 4.598 5.565) 7.219 12.218 ( 0.000 -3.105 0.077) 3.106 12.247 ( 0.000 1.677 5.392) 5.646 12.260 ( 0.000 -0.154 1.396) 1.404 12.382 ( 0.000 0.557 -0.498) 0.747 12.402 ( 0.000 0.469 -2.120) 2.171 12.424 ( 0.000 -0.425 3.440) 3.466 12.458 ( 0.000 -2.219 0.838) 2.372 12.511 ( 0.000 1.865 -0.355) 1.899 12.561 ( 0.000 -1.938 -3.231) 3.768 12.593 ( 0.000 0.212 -4.833) 4.838 12.613 ( 0.000 -0.975 -4.660) 4.761 13.298 ( 0.000 1.359 0.386) 1.412 13.306 ( 0.000 0.564 -0.091) 0.572 13.354 ( 0.000 -1.162 -3.541) 3.726 13.355 ( 0.000 -1.202 -3.115) 3.339 ======================= Grid point 111 (44/45) ======================= q-point: ( 0.20 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 9.663 -1.473 4.285) 10.673 1.446 ( 7.612 -6.671 -1.795) 10.280 1.859 ( 2.172 1.843 5.155) 5.889 1.917 ( 1.721 -3.131 -0.538) 3.613 2.029 ( -2.284 4.637 2.591) 5.782 2.058 ( -2.031 3.023 -0.349) 3.659 2.235 ( -3.708 -6.773 4.719) 9.049 2.267 ( -1.827 -8.087 1.456) 8.418 2.706 ( 2.411 12.738 2.123) 13.137 2.772 ( 3.602 8.397 -5.413) 10.620 2.931 ( -0.070 -3.394 1.694) 3.794 2.947 ( -0.182 -5.752 1.501) 5.948 3.037 ( 0.963 0.595 2.476) 2.723 3.072 ( 2.048 -2.472 1.581) 3.579 3.293 ( 0.766 0.418 -4.494) 4.578 3.332 ( 0.858 -3.191 -6.946) 7.692 3.586 ( 0.367 1.666 2.148) 2.744 3.601 ( 0.278 0.166 0.877) 0.935 3.666 ( -2.532 0.331 2.571) 3.624 3.699 ( -4.589 -2.446 -0.294) 5.208 3.982 ( 0.340 3.778 1.080) 3.944 4.013 ( -0.155 2.281 -1.553) 2.764 4.049 ( -0.481 0.985 0.214) 1.117 4.084 ( -1.539 -1.282 -2.809) 3.450 4.557 ( 3.876 2.565 3.365) 5.738 4.590 ( 5.795 1.364 0.264) 5.959 4.639 ( 1.476 -0.807 4.940) 5.219 4.686 ( 1.492 -3.063 0.299) 3.420 4.760 ( 0.076 -0.086 4.570) 4.571 4.771 ( -0.775 -0.850 3.327) 3.521 4.911 ( 1.848 2.981 2.360) 4.227 4.934 ( 2.583 1.849 -0.028) 3.176 5.036 ( 2.631 -0.021 3.903) 4.707 5.052 ( 2.592 -1.129 2.999) 4.122 5.115 ( -4.027 -0.154 1.204) 4.206 5.131 ( -2.964 -2.085 -0.857) 3.724 5.313 ( -4.792 0.376 3.145) 5.744 5.344 ( -5.018 -0.915 2.174) 5.545 5.421 ( -6.368 1.007 -2.359) 6.865 5.443 ( -4.943 -1.466 -3.106) 6.019 5.513 ( -2.512 5.637 -0.840) 6.228 5.538 ( -3.072 3.517 -1.719) 4.976 5.692 ( -3.112 0.882 2.977) 4.396 5.736 ( -3.432 -1.159 -1.309) 3.851 5.773 ( 0.203 -1.740 0.870) 1.956 5.794 ( 0.635 -1.582 -0.907) 1.931 5.905 ( 0.278 -0.361 1.020) 1.117 5.922 ( -1.090 -1.786 0.134) 2.097 6.052 ( 0.290 -0.360 1.679) 1.741 6.073 ( -0.694 -2.103 0.060) 2.215 6.094 ( -0.663 -1.725 0.178) 1.856 6.111 ( -0.084 -3.475 -1.298) 3.710 6.295 ( 2.733 -0.440 1.910) 3.363 6.301 ( 1.821 -1.116 1.655) 2.703 6.470 ( -2.012 1.111 1.773) 2.902 6.490 ( -1.499 -1.175 -0.382) 1.942 6.611 ( -0.336 1.910 4.933) 5.301 6.659 ( -0.672 -3.190 2.020) 3.836 6.726 ( 7.011 -0.854 2.585) 7.521 6.742 ( 6.584 -2.017 0.671) 6.919 6.797 ( 1.685 3.296 1.763) 4.101 6.857 ( -1.476 3.106 -3.862) 5.171 6.994 ( 4.412 -2.336 -1.187) 5.132 7.070 ( -0.670 -5.476 -6.408) 8.456 7.218 ( 3.343 3.519 1.437) 5.062 7.254 ( 3.349 0.723 -0.979) 3.563 7.410 ( 1.423 1.359 -1.977) 2.789 7.425 ( 1.263 0.108 -1.957) 2.332 7.547 ( 1.006 4.403 -1.150) 4.661 7.576 ( 1.592 2.530 -4.120) 5.090 7.727 ( -3.887 -3.144 -0.635) 5.039 7.741 ( -5.118 -3.360 -2.020) 6.447 7.910 ( -0.580 2.131 7.318) 7.644 7.937 ( 0.096 -1.313 7.764) 7.875 7.982 ( -2.200 -0.461 3.752) 4.374 7.992 ( -1.672 -1.353 3.007) 3.697 8.105 ( 2.627 3.408 4.960) 6.567 8.129 ( 3.605 2.734 3.015) 5.437 8.295 ( -2.981 0.117 -2.919) 4.174 8.319 ( -1.695 -1.192 -4.653) 5.093 8.490 ( 2.788 1.284 6.808) 7.468 8.512 ( 3.487 -1.594 7.112) 8.080 8.685 ( -0.490 2.395 -0.183) 2.451 8.713 ( -0.854 -0.335 3.928) 4.034 8.793 ( 0.884 2.465 -8.003) 8.420 8.812 ( 1.334 -0.123 -3.499) 3.747 8.830 ( 0.045 0.888 -0.624) 1.086 8.845 ( 0.024 0.640 -3.541) 3.599 8.990 ( -2.750 2.408 3.718) 5.214 9.028 ( -1.150 0.452 2.982) 3.228 9.069 ( -0.727 0.060 -0.058) 0.732 9.099 ( -1.853 -2.814 -6.107) 6.975 9.272 ( 0.996 -0.422 11.467) 11.518 9.296 ( 1.590 -2.452 5.835) 6.526 9.416 ( -2.902 3.753 6.379) 7.950 9.444 ( -0.395 0.910 4.676) 4.781 9.472 ( -1.683 -1.414 6.392) 6.759 9.490 ( -1.348 -0.879 0.336) 1.644 9.516 ( -1.183 -2.662 -0.540) 2.963 9.537 ( -3.295 -4.347 5.559) 7.789 9.780 ( 4.746 4.469 -5.178) 8.325 9.841 ( 1.675 2.390 -3.177) 4.314 9.853 ( 3.232 -0.960 -7.606) 8.320 9.874 ( 3.177 -2.048 -10.286) 10.959 9.965 ( -0.549 -1.003 3.344) 3.534 9.984 ( -0.658 -2.693 2.474) 3.716 10.087 ( -0.850 0.065 -7.590) 7.637 10.107 ( -2.860 -1.823 -8.892) 9.517 10.350 ( 1.156 3.451 1.777) 4.050 10.401 ( -1.468 -0.588 2.499) 2.957 10.503 ( -1.723 3.792 3.224) 5.268 10.569 ( 1.895 4.221 -5.478) 7.170 10.577 ( -5.769 -1.992 -2.011) 6.426 10.649 ( 0.328 -3.383 -3.376) 4.791 10.701 ( 0.226 0.076 -5.014) 5.020 10.720 ( -1.242 -1.106 -6.885) 7.083 10.882 ( -0.678 2.551 -0.768) 2.749 10.901 ( 0.648 1.562 -2.047) 2.655 10.951 ( -1.573 1.468 -1.725) 2.757 10.984 ( -0.339 -0.186 -4.669) 4.685 11.114 ( 0.745 0.046 0.900) 1.169 11.133 ( 1.532 -2.055 -1.088) 2.784 11.224 ( 0.015 -0.971 -0.033) 0.972 11.245 ( 0.623 -2.532 -2.339) 3.503 11.361 ( 2.366 -0.414 -0.574) 2.469 11.366 ( 1.751 -0.982 -0.956) 2.224 11.470 ( 1.387 1.620 2.670) 3.418 11.492 ( 0.897 -0.045 1.176) 1.480 11.530 ( 3.528 1.201 2.260) 4.358 11.552 ( 3.153 -0.363 1.777) 3.637 11.684 ( 0.160 1.326 4.077) 4.290 11.707 ( -0.083 -1.013 4.333) 4.450 11.752 ( -0.146 1.844 -2.394) 3.025 11.764 ( -0.280 1.393 -2.007) 2.459 11.824 ( -0.651 -0.319 -2.957) 3.045 11.841 ( -0.634 -1.086 -1.375) 1.863 11.894 ( 0.334 1.098 -1.629) 1.993 11.932 ( -0.337 -2.164 -5.653) 6.062 11.994 ( -0.710 -0.984 -0.780) 1.442 12.001 ( -1.078 -1.368 -1.345) 2.201 12.144 ( 1.204 3.461 4.858) 6.085 12.204 ( -0.927 -1.455 1.999) 2.641 12.244 ( -0.708 0.230 4.561) 4.622 12.257 ( -0.318 -0.327 0.223) 0.508 12.362 ( -1.441 1.751 0.708) 2.376 12.391 ( -1.121 1.232 -1.347) 2.142 12.417 ( -0.592 -1.299 2.940) 3.269 12.445 ( -1.085 -2.276 0.852) 2.662 12.516 ( 0.498 1.814 -0.984) 2.123 12.562 ( -0.089 -0.746 -4.190) 4.257 12.585 ( -0.586 -0.662 -3.739) 3.842 12.606 ( -0.574 -1.259 -4.466) 4.676 13.301 ( 0.285 1.654 0.065) 1.680 13.311 ( 0.324 1.087 -0.654) 1.309 13.349 ( 0.001 -1.239 -2.678) 2.950 13.362 ( 0.283 -1.858 -3.463) 3.940 ======================= Grid point 112 (45/45) ======================= q-point: ( 0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 12.103 -0.233 2.585) 12.378 1.633 ( 9.912 -1.616 1.249) 10.120 1.813 ( -6.652 2.230 3.378) 7.787 1.846 ( -8.458 -0.249 0.171) 8.464 2.043 ( 3.658 0.971 4.122) 5.596 2.088 ( 3.643 -2.372 -0.281) 4.357 2.144 ( -4.168 -4.203 4.968) 7.728 2.198 ( -4.759 -7.463 -0.225) 8.854 2.787 ( 4.723 11.500 2.483) 12.678 2.839 ( 1.009 10.586 -2.488) 10.921 2.946 ( 1.943 -1.834 0.980) 2.846 2.984 ( 0.252 -2.921 -2.476) 3.838 3.074 ( 4.653 0.415 1.634) 4.949 3.111 ( 3.272 -1.948 -1.782) 4.205 3.240 ( -5.411 -3.096 -0.126) 6.236 3.270 ( -6.383 -4.893 -3.000) 8.585 3.604 ( 0.539 -0.082 1.491) 1.588 3.609 ( 0.626 0.240 1.182) 1.359 3.638 ( -0.385 -2.931 -0.091) 2.957 3.648 ( -0.584 -3.079 -0.778) 3.229 3.988 ( 0.395 4.192 0.435) 4.233 3.999 ( -0.735 3.969 -0.651) 4.088 4.050 ( 0.397 -1.476 -0.268) 1.552 4.060 ( -0.673 -1.774 -1.280) 2.289 4.631 ( 3.493 3.776 3.474) 6.207 4.656 ( 1.803 3.041 1.802) 3.969 4.711 ( -1.014 0.783 5.159) 5.316 4.723 ( -0.337 -1.159 3.714) 3.905 4.770 ( 5.701 0.306 3.157) 6.524 4.800 ( 5.603 -0.868 0.507) 5.692 4.930 ( -4.038 0.586 2.175) 4.624 4.969 ( -5.552 -2.088 -1.024) 6.019 5.006 ( 0.458 1.690 3.111) 3.570 5.022 ( 0.657 1.248 1.415) 1.998 5.067 ( -1.140 2.121 2.817) 3.706 5.097 ( -2.099 -0.267 0.005) 2.116 5.270 ( 0.437 -0.184 2.446) 2.492 5.300 ( -1.721 -0.749 1.535) 2.425 5.317 ( -0.367 -1.499 -1.070) 1.878 5.355 ( -2.694 -3.386 -2.470) 4.983 5.459 ( -2.164 7.269 -1.104) 7.664 5.471 ( -2.750 5.525 -1.851) 6.443 5.611 ( -2.936 -4.380 0.267) 5.280 5.629 ( -4.358 -5.196 -1.381) 6.921 5.811 ( 2.974 1.963 1.355) 3.812 5.835 ( 2.907 0.023 -1.348) 3.205 5.875 ( -2.885 1.103 1.102) 3.279 5.892 ( -2.196 -0.393 -0.937) 2.419 6.068 ( 0.648 0.429 1.041) 1.299 6.073 ( 0.157 0.253 0.467) 0.554 6.103 ( 0.984 -3.529 0.357) 3.681 6.114 ( -0.062 -4.114 -0.810) 4.193 6.343 ( 2.580 -1.202 3.170) 4.260 6.352 ( 3.053 -2.110 2.081) 4.255 6.407 ( -3.598 -0.162 3.131) 4.772 6.425 ( -4.017 -1.891 1.291) 4.624 6.647 ( 3.292 1.610 1.577) 3.989 6.680 ( 1.907 -0.927 -0.782) 2.261 6.747 ( -2.754 -1.732 3.307) 4.639 6.766 ( -2.596 -2.948 1.600) 4.241 6.902 ( 5.613 4.742 -0.887) 7.402 6.919 ( 4.356 4.587 -2.840) 6.934 7.057 ( 1.241 -5.438 -1.379) 5.745 7.067 ( 0.166 -4.535 -2.537) 5.199 7.304 ( 4.919 3.470 1.624) 6.235 7.332 ( 4.172 1.074 0.020) 4.308 7.402 ( -3.220 2.163 0.705) 3.942 7.414 ( -2.736 1.111 1.307) 3.230 7.579 ( 2.089 3.594 -2.046) 4.633 7.619 ( 2.121 0.414 -5.157) 5.591 7.637 ( -4.061 0.358 -2.094) 4.584 7.656 ( -2.241 -1.662 -3.211) 4.253 7.910 ( 0.598 0.513 5.309) 5.367 7.928 ( -0.927 -0.734 5.382) 5.510 7.956 ( -0.341 -3.254 3.903) 5.093 7.966 ( -1.140 -3.945 4.439) 6.048 8.156 ( 2.609 4.806 1.966) 5.812 8.189 ( 1.138 4.453 -0.333) 4.608 8.245 ( -0.632 -1.035 -0.162) 1.224 8.282 ( -2.285 -1.590 -2.711) 3.886 8.556 ( 3.759 2.725 7.262) 8.620 8.593 ( 4.294 -1.450 6.677) 8.070 8.639 ( -3.966 3.337 5.302) 7.415 8.673 ( -3.126 -0.631 5.738) 6.565 8.805 ( 0.927 1.966 -4.385) 4.894 8.821 ( -0.167 0.824 -6.096) 6.154 8.850 ( 0.587 -0.635 -4.194) 4.282 8.856 ( 0.332 -0.933 -3.565) 3.700 8.961 ( 0.879 3.872 3.296) 5.161 9.002 ( -1.785 2.669 0.532) 3.255 9.048 ( -0.680 -2.613 -1.202) 2.955 9.061 ( -1.585 -2.408 -3.592) 4.606 9.306 ( 2.276 -0.013 11.025) 11.257 9.329 ( 1.632 -2.000 4.861) 5.504 9.356 ( -2.325 0.915 9.333) 9.661 9.392 ( -4.151 -1.727 6.780) 8.135 9.457 ( 0.664 -0.371 3.366) 3.451 9.477 ( -0.869 -0.471 2.330) 2.531 9.490 ( -0.073 -2.873 0.970) 3.033 9.505 ( -1.047 -2.639 -0.122) 2.842 9.872 ( 2.307 3.092 -5.055) 6.359 9.876 ( 2.286 2.792 -3.439) 4.985 9.911 ( 0.639 0.381 -8.480) 8.513 9.916 ( 2.561 -1.055 -10.678) 11.031 9.959 ( 0.146 0.178 4.659) 4.665 9.995 ( 1.667 -2.937 -0.983) 3.517 10.032 ( -3.611 -0.168 -4.335) 5.645 10.056 ( -2.313 -1.673 -5.383) 6.093 10.385 ( 2.316 1.105 -1.663) 3.058 10.387 ( 0.632 0.949 -0.656) 1.315 10.436 ( -3.577 1.259 -0.521) 3.828 10.461 ( -4.853 -0.541 -3.435) 5.970 10.624 ( 2.781 2.586 -2.732) 4.678 10.658 ( 0.250 -0.179 -5.119) 5.129 10.691 ( -0.718 -1.238 -1.760) 2.268 10.705 ( -0.952 -1.859 -3.302) 3.907 10.880 ( 1.024 4.279 -0.384) 4.416 10.907 ( -0.930 4.512 -3.074) 5.538 10.943 ( 1.191 -0.464 -0.231) 1.299 10.971 ( -1.120 -0.052 -3.104) 3.300 11.139 ( 1.916 0.443 1.023) 2.217 11.170 ( 1.333 -1.636 -2.010) 2.915 11.197 ( -1.558 -1.243 0.871) 2.175 11.225 ( -2.030 -2.778 -1.975) 3.968 11.422 ( 2.937 0.483 0.368) 2.999 11.428 ( 3.047 0.129 -0.327) 3.067 11.482 ( -0.439 -0.431 1.896) 1.993 11.494 ( -1.030 -1.020 0.910) 1.711 11.608 ( 3.840 1.270 2.037) 4.528 11.624 ( 3.657 0.207 1.480) 3.950 11.670 ( -1.878 1.990 0.775) 2.844 11.683 ( -2.084 0.720 0.584) 2.281 11.761 ( 0.554 1.385 -1.883) 2.402 11.770 ( 0.316 -0.561 -0.182) 0.669 11.805 ( -0.591 -2.508 -0.897) 2.729 11.818 ( -1.055 -2.577 -2.788) 3.940 11.918 ( 1.628 1.057 -1.879) 2.702 11.932 ( 0.519 -0.054 -2.746) 2.796 11.969 ( -1.565 -1.002 -1.520) 2.401 11.974 ( -1.311 -1.466 -1.587) 2.528 12.179 ( 2.025 1.498 3.796) 4.555 12.199 ( 0.667 0.014 3.163) 3.232 12.220 ( -1.434 0.215 3.706) 3.980 12.236 ( -1.761 -1.061 1.366) 2.469 12.345 ( 0.047 3.103 1.144) 3.308 12.362 ( -1.435 2.430 0.218) 2.831 12.409 ( 0.057 -2.297 1.902) 2.983 12.422 ( -1.073 -2.492 1.081) 2.920 12.530 ( 0.839 1.879 -2.448) 3.198 12.549 ( -1.034 1.730 -4.291) 4.741 12.582 ( 0.314 -2.460 -3.079) 3.954 12.593 ( -0.679 -1.924 -3.955) 4.450 13.308 ( 0.366 2.158 -0.664) 2.287 13.313 ( -0.133 2.119 -1.185) 2.431 13.355 ( 0.491 -2.155 -2.414) 3.273 13.363 ( -0.183 -2.330 -3.030) 3.826 =================== 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 3/35100 10.0 465.804 360.646 440.949 0.000 0.000 -0.000 3/35100 20.0 89.723 91.458 71.047 0.000 0.000 -0.000 3/35100 30.0 35.166 39.691 26.950 0.000 0.000 -0.000 3/35100 40.0 18.515 22.185 14.132 0.000 0.000 -0.000 3/35100 50.0 11.410 14.155 8.808 0.000 0.000 -0.000 3/35100 60.0 7.759 9.822 6.087 0.000 0.000 -0.000 3/35100 70.0 5.646 7.235 4.503 0.000 0.000 -0.000 3/35100 80.0 4.321 5.578 3.498 0.000 0.000 -0.000 3/35100 90.0 3.438 4.459 2.821 0.000 0.000 -0.000 3/35100 100.0 2.821 3.670 2.343 0.000 0.000 -0.000 3/35100 110.0 2.375 3.095 1.994 0.000 0.000 -0.000 3/35100 120.0 2.041 2.663 1.730 0.000 0.000 -0.000 3/35100 130.0 1.785 2.330 1.527 0.000 0.000 -0.000 3/35100 140.0 1.583 2.067 1.365 0.000 0.000 -0.000 3/35100 150.0 1.421 1.856 1.234 0.000 0.000 -0.000 3/35100 160.0 1.288 1.682 1.127 0.000 0.000 -0.000 3/35100 170.0 1.178 1.539 1.037 0.000 0.000 -0.000 3/35100 180.0 1.086 1.417 0.961 0.000 0.000 -0.000 3/35100 190.0 1.007 1.314 0.896 0.000 0.000 -0.000 3/35100 200.0 0.939 1.225 0.839 0.000 0.000 -0.000 3/35100 210.0 0.880 1.148 0.790 0.000 0.000 -0.000 3/35100 220.0 0.828 1.079 0.746 0.000 0.000 -0.000 3/35100 230.0 0.782 1.019 0.707 0.000 0.000 -0.000 3/35100 240.0 0.741 0.966 0.672 0.000 0.000 -0.000 3/35100 250.0 0.704 0.917 0.641 0.000 0.000 -0.000 3/35100 260.0 0.671 0.874 0.612 0.000 0.000 -0.000 3/35100 270.0 0.641 0.835 0.586 0.000 0.000 -0.000 3/35100 280.0 0.613 0.799 0.562 0.000 0.000 -0.000 3/35100 290.0 0.588 0.766 0.541 0.000 0.000 -0.000 3/35100 300.0 0.565 0.736 0.521 0.000 0.000 -0.000 3/35100 310.0 0.544 0.708 0.502 0.000 0.000 -0.000 3/35100 320.0 0.524 0.683 0.485 0.000 0.000 -0.000 3/35100 330.0 0.506 0.659 0.469 0.000 0.000 -0.000 3/35100 340.0 0.489 0.637 0.454 0.000 0.000 -0.000 3/35100 350.0 0.473 0.616 0.440 0.000 0.000 -0.000 3/35100 360.0 0.459 0.597 0.426 0.000 0.000 -0.000 3/35100 370.0 0.445 0.579 0.414 0.000 0.000 -0.000 3/35100 380.0 0.432 0.562 0.402 0.000 0.000 -0.000 3/35100 390.0 0.420 0.546 0.391 0.000 0.000 -0.000 3/35100 400.0 0.408 0.531 0.381 0.000 0.000 -0.000 3/35100 410.0 0.397 0.517 0.371 0.000 0.000 -0.000 3/35100 420.0 0.387 0.503 0.362 0.000 0.000 -0.000 3/35100 430.0 0.377 0.491 0.353 0.000 0.000 -0.000 3/35100 440.0 0.368 0.478 0.345 0.000 0.000 -0.000 3/35100 450.0 0.359 0.467 0.337 0.000 0.000 -0.000 3/35100 460.0 0.351 0.456 0.329 0.000 0.000 -0.000 3/35100 470.0 0.343 0.446 0.322 0.000 0.000 -0.000 3/35100 480.0 0.335 0.436 0.315 0.000 0.000 -0.000 3/35100 490.0 0.328 0.426 0.308 0.000 0.000 -0.000 3/35100 500.0 0.321 0.417 0.302 0.000 0.000 -0.000 3/35100 510.0 0.314 0.408 0.295 0.000 0.000 -0.000 3/35100 520.0 0.308 0.400 0.290 0.000 0.000 -0.000 3/35100 530.0 0.301 0.392 0.284 0.000 0.000 -0.000 3/35100 540.0 0.296 0.384 0.278 0.000 0.000 -0.000 3/35100 550.0 0.290 0.377 0.273 0.000 0.000 -0.000 3/35100 560.0 0.284 0.370 0.268 0.000 0.000 -0.000 3/35100 570.0 0.279 0.363 0.263 0.000 0.000 -0.000 3/35100 580.0 0.274 0.356 0.259 0.000 0.000 -0.000 3/35100 590.0 0.269 0.350 0.254 0.000 0.000 -0.000 3/35100 600.0 0.265 0.344 0.250 0.000 0.000 -0.000 3/35100 610.0 0.260 0.338 0.246 0.000 0.000 -0.000 3/35100 620.0 0.256 0.332 0.242 0.000 0.000 -0.000 3/35100 630.0 0.251 0.327 0.238 0.000 0.000 -0.000 3/35100 640.0 0.247 0.322 0.234 0.000 0.000 -0.000 3/35100 650.0 0.243 0.316 0.230 0.000 0.000 -0.000 3/35100 660.0 0.240 0.311 0.227 0.000 0.000 -0.000 3/35100 670.0 0.236 0.307 0.223 0.000 0.000 -0.000 3/35100 680.0 0.232 0.302 0.220 0.000 0.000 -0.000 3/35100 690.0 0.229 0.297 0.217 0.000 0.000 -0.000 3/35100 700.0 0.225 0.293 0.213 0.000 0.000 -0.000 3/35100 710.0 0.222 0.289 0.210 0.000 0.000 -0.000 3/35100 720.0 0.219 0.285 0.207 0.000 0.000 -0.000 3/35100 730.0 0.216 0.281 0.205 0.000 0.000 -0.000 3/35100 740.0 0.213 0.277 0.202 0.000 0.000 -0.000 3/35100 750.0 0.210 0.273 0.199 0.000 0.000 -0.000 3/35100 760.0 0.207 0.269 0.196 0.000 0.000 -0.000 3/35100 770.0 0.204 0.266 0.194 0.000 0.000 -0.000 3/35100 780.0 0.202 0.262 0.191 0.000 0.000 -0.000 3/35100 790.0 0.199 0.259 0.189 0.000 0.000 -0.000 3/35100 800.0 0.197 0.255 0.186 0.000 0.000 -0.000 3/35100 810.0 0.194 0.252 0.184 0.000 0.000 -0.000 3/35100 820.0 0.192 0.249 0.182 0.000 0.000 -0.000 3/35100 830.0 0.189 0.246 0.180 0.000 0.000 -0.000 3/35100 840.0 0.187 0.243 0.177 0.000 0.000 -0.000 3/35100 850.0 0.185 0.240 0.175 0.000 0.000 -0.000 3/35100 860.0 0.182 0.237 0.173 0.000 0.000 -0.000 3/35100 870.0 0.180 0.234 0.171 0.000 0.000 -0.000 3/35100 880.0 0.178 0.232 0.169 0.000 0.000 -0.000 3/35100 890.0 0.176 0.229 0.167 0.000 0.000 -0.000 3/35100 900.0 0.174 0.226 0.165 0.000 0.000 -0.000 3/35100 910.0 0.172 0.224 0.164 0.000 0.000 -0.000 3/35100 920.0 0.170 0.221 0.162 0.000 0.000 -0.000 3/35100 930.0 0.168 0.219 0.160 0.000 0.000 -0.000 3/35100 940.0 0.167 0.217 0.158 0.000 0.000 -0.000 3/35100 950.0 0.165 0.214 0.157 0.000 0.000 -0.000 3/35100 960.0 0.163 0.212 0.155 0.000 0.000 -0.000 3/35100 970.0 0.161 0.210 0.153 0.000 0.000 -0.000 3/35100 980.0 0.160 0.208 0.152 0.000 0.000 -0.000 3/35100 990.0 0.158 0.205 0.150 0.000 0.000 -0.000 3/35100 1000.0 0.157 0.203 0.149 0.000 0.000 -0.000 3/35100 Thermal conductivity related properties were written into "kappa-m559.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:01:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|