----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:17:18]------------------------- Compiled with OpenMP support (max 48 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: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.277554261559903 0.000000000000000 0.000000000000000 b 0.000000000000000 12.080908360000000 0.000000000000000 c -0.950493751937959 0.000000000000000 6.558678351131731 Atomic positions (fractional): *1 O 0.52912629079773 0.53885325079074 0.74962740292235 15.999 2 O 0.47087370920227 0.03885325079074 0.75037259707765 15.999 3 O 0.47087370920227 0.46114674920926 0.25037259707765 15.999 4 O 0.52912629079773 0.96114674920926 0.24962740292235 15.999 *5 O 0.73691691549408 0.42291369758599 0.01941103146300 15.999 6 O 0.26308308450592 0.92291369758599 0.48058896853700 15.999 7 O 0.26308308450592 0.57708630241401 0.98058896853700 15.999 8 O 0.73691691549408 0.07708630241401 0.51941103146300 15.999 *9 O 0.70824761745697 0.36612209866463 0.63770026333022 15.999 10 O 0.29175238254303 0.86612209866463 0.86229973666978 15.999 11 O 0.29175238254303 0.63387790133537 0.36229973666978 15.999 12 O 0.70824761745697 0.13387790133537 0.13770026333022 15.999 *13 O 0.47567494985219 0.31876728431334 0.84575578029072 15.999 14 O 0.52432505014781 0.81876728431334 0.65424421970928 15.999 15 O 0.52432505014781 0.68123271568666 0.15424421970927 15.999 16 O 0.47567494985219 0.18123271568666 0.34575578029073 15.999 *17 O 0.11808671004979 0.43711465308301 0.61115888843467 15.999 18 O 0.88191328995021 0.93711465308301 0.88884111156533 15.999 19 O 0.88191328995021 0.56288534691699 0.38884111156533 15.999 20 O 0.11808671004979 0.06288534691699 0.11115888843467 15.999 *21 O 0.08044476060716 0.06657213294410 0.66820851123408 15.999 22 O 0.91955523939284 0.56657213294410 0.83179148876592 15.999 23 O 0.91955523939284 0.93342786705590 0.33179148876592 15.999 24 O 0.08044476060716 0.43342786705590 0.16820851123408 15.999 *25 O 0.92188895985362 0.20445322183625 0.90075064150455 15.999 26 O 0.07811104014638 0.70445322183624 0.59924935849545 15.999 27 O 0.07811104014638 0.79554677816376 0.09924935849545 15.999 28 O 0.92188895985362 0.29554677816376 0.40075064150455 15.999 *29 O 0.21175133624457 0.23445739303461 0.87573774975764 15.999 30 O 0.78824866375543 0.73445739303461 0.62426225024236 15.999 31 O 0.78824866375543 0.76554260696539 0.12426225024236 15.999 32 O 0.21175133624457 0.26554260696539 0.37573774975764 15.999 *33 As 0.60661300793988 0.41239057481397 0.81388883271928 74.922 34 As 0.39338699206012 0.91239057481397 0.68611116728072 74.922 35 As 0.39338699206012 0.58760942518603 0.18611116728072 74.922 36 As 0.60661300793988 0.08760942518603 0.31388883271928 74.922 *37 As 0.08114952886053 0.36354417487877 0.39165013945761 74.922 38 As 0.91885047113947 0.86354417487877 0.10834986054239 74.922 39 As 0.91885047113947 0.63645582512123 0.60834986054239 74.922 40 As 0.08114952886053 0.13645582512123 0.89165013945761 74.922 *41 Cd 0.35609596205621 0.30792448931680 0.13107202452854 112.411 42 Cd 0.64390403794379 0.80792448931680 0.36892797547146 112.411 43 Cd 0.64390403794379 0.69207551068320 0.86892797547147 112.411 44 Cd 0.35609596205621 0.19207551068320 0.63107202452853 112.411 *45 Cd 0.71871352368427 0.42175941913139 0.33489313055711 112.411 46 Cd 0.28128647631573 0.92175941913139 0.16510686944289 112.411 47 Cd 0.28128647631573 0.57824058086861 0.66510686944289 112.411 48 Cd 0.71871352368427 0.07824058086861 0.83489313055711 112.411 *49 Cd 0.94831768218151 0.38331315755397 0.84482462241971 112.411 50 Cd 0.05168231781849 0.88331315755397 0.65517537758029 112.411 51 Cd 0.05168231781849 0.61668684244603 0.15517537758029 112.411 52 Cd 0.94831768218151 0.11668684244603 0.34482462241971 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.277554261559903 0.000000000000000 0.000000000000000 b 0.000000000000000 12.080908360000000 0.000000000000000 c -0.950493751937959 0.000000000000000 6.558678351131731 Atomic positions (fractional): *1 O 0.52912629079773 0.53885325079074 0.74962740292235 15.999 > 1 2 O 0.47087370920227 0.03885325079074 0.75037259707765 15.999 > 2 3 O 0.47087370920227 0.46114674920926 0.25037259707765 15.999 > 3 4 O 0.52912629079773 0.96114674920926 0.24962740292235 15.999 > 4 *5 O 0.73691691549408 0.42291369758599 0.01941103146300 15.999 > 5 6 O 0.26308308450592 0.92291369758599 0.48058896853700 15.999 > 6 7 O 0.26308308450592 0.57708630241401 0.98058896853700 15.999 > 7 8 O 0.73691691549408 0.07708630241401 0.51941103146300 15.999 > 8 *9 O 0.70824761745697 0.36612209866463 0.63770026333022 15.999 > 9 10 O 0.29175238254303 0.86612209866463 0.86229973666978 15.999 > 10 11 O 0.29175238254303 0.63387790133537 0.36229973666978 15.999 > 11 12 O 0.70824761745697 0.13387790133537 0.13770026333022 15.999 > 12 *13 O 0.47567494985219 0.31876728431334 0.84575578029072 15.999 > 13 14 O 0.52432505014781 0.81876728431334 0.65424421970928 15.999 > 14 15 O 0.52432505014781 0.68123271568666 0.15424421970927 15.999 > 15 16 O 0.47567494985219 0.18123271568666 0.34575578029073 15.999 > 16 *17 O 0.11808671004979 0.43711465308301 0.61115888843467 15.999 > 17 18 O 0.88191328995021 0.93711465308301 0.88884111156533 15.999 > 18 19 O 0.88191328995021 0.56288534691699 0.38884111156533 15.999 > 19 20 O 0.11808671004979 0.06288534691699 0.11115888843467 15.999 > 20 *21 O 0.08044476060716 0.06657213294410 0.66820851123408 15.999 > 21 22 O 0.91955523939284 0.56657213294410 0.83179148876592 15.999 > 22 23 O 0.91955523939284 0.93342786705590 0.33179148876592 15.999 > 23 24 O 0.08044476060716 0.43342786705590 0.16820851123408 15.999 > 24 *25 O 0.92188895985362 0.20445322183625 0.90075064150455 15.999 > 25 26 O 0.07811104014638 0.70445322183624 0.59924935849545 15.999 > 26 27 O 0.07811104014638 0.79554677816376 0.09924935849545 15.999 > 27 28 O 0.92188895985362 0.29554677816376 0.40075064150455 15.999 > 28 *29 O 0.21175133624457 0.23445739303461 0.87573774975764 15.999 > 29 30 O 0.78824866375543 0.73445739303461 0.62426225024236 15.999 > 30 31 O 0.78824866375543 0.76554260696539 0.12426225024236 15.999 > 31 32 O 0.21175133624457 0.26554260696539 0.37573774975764 15.999 > 32 *33 As 0.60661300793988 0.41239057481397 0.81388883271928 74.922 > 33 34 As 0.39338699206012 0.91239057481397 0.68611116728072 74.922 > 34 35 As 0.39338699206012 0.58760942518603 0.18611116728072 74.922 > 35 36 As 0.60661300793988 0.08760942518603 0.31388883271928 74.922 > 36 *37 As 0.08114952886053 0.36354417487877 0.39165013945761 74.922 > 37 38 As 0.91885047113947 0.86354417487877 0.10834986054239 74.922 > 38 39 As 0.91885047113947 0.63645582512123 0.60834986054239 74.922 > 39 40 As 0.08114952886053 0.13645582512123 0.89165013945761 74.922 > 40 *41 Cd 0.35609596205621 0.30792448931680 0.13107202452854 112.411 > 41 42 Cd 0.64390403794379 0.80792448931680 0.36892797547146 112.411 > 42 43 Cd 0.64390403794379 0.69207551068320 0.86892797547147 112.411 > 43 44 Cd 0.35609596205621 0.19207551068320 0.63107202452853 112.411 > 44 *45 Cd 0.71871352368427 0.42175941913139 0.33489313055711 112.411 > 45 46 Cd 0.28128647631573 0.92175941913139 0.16510686944289 112.411 > 46 47 Cd 0.28128647631573 0.57824058086861 0.66510686944289 112.411 > 47 48 Cd 0.71871352368427 0.07824058086861 0.83489313055711 112.411 > 48 *49 Cd 0.94831768218151 0.38331315755397 0.84482462241971 112.411 > 49 50 Cd 0.05168231781849 0.88331315755397 0.65517537758029 112.411 > 50 51 Cd 0.05168231781849 0.61668684244603 0.15517537758029 112.411 > 51 52 Cd 0.94831768218151 0.11668684244603 0.34482462241971 112.411 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.277554261559903 0.000000000000000 0.000000000000000 b 0.000000000000000 12.080908360000000 0.000000000000000 c -1.900987503875918 0.000000000000000 13.117356702263463 Atomic positions (fractional): *1 O 0.52912629079773 0.53885325079074 0.37481370146117 15.999 > 1 2 O 0.52912629079773 0.53885325079074 0.87481370146117 15.999 > 1 3 O 0.47087370920227 0.03885325079074 0.37518629853883 15.999 > 2 4 O 0.47087370920227 0.03885325079074 0.87518629853883 15.999 > 2 5 O 0.47087370920227 0.46114674920926 0.12518629853883 15.999 > 3 6 O 0.47087370920227 0.46114674920926 0.62518629853883 15.999 > 3 7 O 0.52912629079773 0.96114674920926 0.12481370146117 15.999 > 4 8 O 0.52912629079773 0.96114674920926 0.62481370146117 15.999 > 4 *9 O 0.73691691549408 0.42291369758599 0.00970551573150 15.999 > 5 10 O 0.73691691549408 0.42291369758599 0.50970551573150 15.999 > 5 11 O 0.26308308450592 0.92291369758599 0.24029448426850 15.999 > 6 12 O 0.26308308450592 0.92291369758599 0.74029448426850 15.999 > 6 13 O 0.26308308450592 0.57708630241401 0.49029448426850 15.999 > 7 14 O 0.26308308450592 0.57708630241401 0.99029448426850 15.999 > 7 15 O 0.73691691549408 0.07708630241401 0.25970551573150 15.999 > 8 16 O 0.73691691549408 0.07708630241401 0.75970551573150 15.999 > 8 *17 O 0.70824761745697 0.36612209866463 0.31885013166511 15.999 > 9 18 O 0.70824761745697 0.36612209866463 0.81885013166511 15.999 > 9 19 O 0.29175238254303 0.86612209866463 0.43114986833489 15.999 > 10 20 O 0.29175238254303 0.86612209866463 0.93114986833489 15.999 > 10 21 O 0.29175238254303 0.63387790133537 0.18114986833489 15.999 > 11 22 O 0.29175238254303 0.63387790133537 0.68114986833489 15.999 > 11 23 O 0.70824761745697 0.13387790133537 0.06885013166511 15.999 > 12 24 O 0.70824761745697 0.13387790133537 0.56885013166511 15.999 > 12 *25 O 0.47567494985219 0.31876728431334 0.42287789014536 15.999 > 13 26 O 0.47567494985219 0.31876728431334 0.92287789014536 15.999 > 13 27 O 0.52432505014781 0.81876728431334 0.32712210985464 15.999 > 14 28 O 0.52432505014781 0.81876728431334 0.82712210985464 15.999 > 14 29 O 0.52432505014781 0.68123271568666 0.07712210985464 15.999 > 15 30 O 0.52432505014781 0.68123271568666 0.57712210985464 15.999 > 15 31 O 0.47567494985219 0.18123271568666 0.17287789014536 15.999 > 16 32 O 0.47567494985219 0.18123271568666 0.67287789014536 15.999 > 16 *33 O 0.11808671004979 0.43711465308301 0.30557944421733 15.999 > 17 34 O 0.11808671004979 0.43711465308301 0.80557944421733 15.999 > 17 35 O 0.88191328995021 0.93711465308301 0.44442055578267 15.999 > 18 36 O 0.88191328995021 0.93711465308301 0.94442055578267 15.999 > 18 37 O 0.88191328995021 0.56288534691699 0.19442055578267 15.999 > 19 38 O 0.88191328995021 0.56288534691699 0.69442055578267 15.999 > 19 39 O 0.11808671004979 0.06288534691699 0.05557944421733 15.999 > 20 40 O 0.11808671004979 0.06288534691699 0.55557944421733 15.999 > 20 *41 O 0.08044476060716 0.06657213294410 0.33410425561704 15.999 > 21 42 O 0.08044476060716 0.06657213294410 0.83410425561704 15.999 > 21 43 O 0.91955523939284 0.56657213294410 0.41589574438296 15.999 > 22 44 O 0.91955523939284 0.56657213294410 0.91589574438296 15.999 > 22 45 O 0.91955523939284 0.93342786705590 0.16589574438296 15.999 > 23 46 O 0.91955523939284 0.93342786705590 0.66589574438296 15.999 > 23 47 O 0.08044476060716 0.43342786705590 0.08410425561704 15.999 > 24 48 O 0.08044476060716 0.43342786705590 0.58410425561704 15.999 > 24 *49 O 0.92188895985362 0.20445322183625 0.45037532075228 15.999 > 25 50 O 0.92188895985362 0.20445322183625 0.95037532075228 15.999 > 25 51 O 0.07811104014638 0.70445322183624 0.29962467924772 15.999 > 26 52 O 0.07811104014638 0.70445322183624 0.79962467924772 15.999 > 26 53 O 0.07811104014638 0.79554677816376 0.04962467924772 15.999 > 27 54 O 0.07811104014638 0.79554677816376 0.54962467924772 15.999 > 27 55 O 0.92188895985362 0.29554677816376 0.20037532075228 15.999 > 28 56 O 0.92188895985362 0.29554677816376 0.70037532075228 15.999 > 28 *57 O 0.21175133624457 0.23445739303461 0.43786887487882 15.999 > 29 58 O 0.21175133624457 0.23445739303461 0.93786887487882 15.999 > 29 59 O 0.78824866375543 0.73445739303461 0.31213112512118 15.999 > 30 60 O 0.78824866375543 0.73445739303461 0.81213112512118 15.999 > 30 61 O 0.78824866375543 0.76554260696539 0.06213112512118 15.999 > 31 62 O 0.78824866375543 0.76554260696539 0.56213112512118 15.999 > 31 63 O 0.21175133624457 0.26554260696539 0.18786887487882 15.999 > 32 64 O 0.21175133624457 0.26554260696539 0.68786887487882 15.999 > 32 *65 As 0.60661300793988 0.41239057481397 0.40694441635964 74.922 > 33 66 As 0.60661300793988 0.41239057481397 0.90694441635964 74.922 > 33 67 As 0.39338699206012 0.91239057481397 0.34305558364036 74.922 > 34 68 As 0.39338699206012 0.91239057481397 0.84305558364036 74.922 > 34 69 As 0.39338699206012 0.58760942518603 0.09305558364036 74.922 > 35 70 As 0.39338699206012 0.58760942518603 0.59305558364036 74.922 > 35 71 As 0.60661300793988 0.08760942518603 0.15694441635964 74.922 > 36 72 As 0.60661300793988 0.08760942518603 0.65694441635964 74.922 > 36 *73 As 0.08114952886053 0.36354417487877 0.19582506972881 74.922 > 37 74 As 0.08114952886053 0.36354417487877 0.69582506972881 74.922 > 37 75 As 0.91885047113947 0.86354417487877 0.05417493027119 74.922 > 38 76 As 0.91885047113947 0.86354417487877 0.55417493027119 74.922 > 38 77 As 0.91885047113947 0.63645582512123 0.30417493027119 74.922 > 39 78 As 0.91885047113947 0.63645582512123 0.80417493027119 74.922 > 39 79 As 0.08114952886053 0.13645582512123 0.44582506972881 74.922 > 40 80 As 0.08114952886053 0.13645582512123 0.94582506972881 74.922 > 40 *81 Cd 0.35609596205621 0.30792448931680 0.06553601226427 112.411 > 41 82 Cd 0.35609596205621 0.30792448931680 0.56553601226427 112.411 > 41 83 Cd 0.64390403794379 0.80792448931680 0.18446398773573 112.411 > 42 84 Cd 0.64390403794379 0.80792448931680 0.68446398773573 112.411 > 42 85 Cd 0.64390403794379 0.69207551068320 0.43446398773573 112.411 > 43 86 Cd 0.64390403794379 0.69207551068320 0.93446398773573 112.411 > 43 87 Cd 0.35609596205621 0.19207551068320 0.31553601226427 112.411 > 44 88 Cd 0.35609596205621 0.19207551068320 0.81553601226427 112.411 > 44 *89 Cd 0.71871352368427 0.42175941913139 0.16744656527856 112.411 > 45 90 Cd 0.71871352368427 0.42175941913139 0.66744656527856 112.411 > 45 91 Cd 0.28128647631573 0.92175941913139 0.08255343472144 112.411 > 46 92 Cd 0.28128647631573 0.92175941913139 0.58255343472144 112.411 > 46 93 Cd 0.28128647631573 0.57824058086861 0.33255343472144 112.411 > 47 94 Cd 0.28128647631573 0.57824058086861 0.83255343472144 112.411 > 47 95 Cd 0.71871352368427 0.07824058086861 0.41744656527856 112.411 > 48 96 Cd 0.71871352368427 0.07824058086861 0.91744656527856 112.411 > 48 *97 Cd 0.94831768218151 0.38331315755397 0.42241231120985 112.411 > 49 98 Cd 0.94831768218151 0.38331315755397 0.92241231120985 112.411 > 49 99 Cd 0.05168231781849 0.88331315755397 0.32758768879015 112.411 > 50 100 Cd 0.05168231781849 0.88331315755397 0.82758768879015 112.411 > 50 101 Cd 0.05168231781849 0.61668684244603 0.07758768879015 112.411 > 51 102 Cd 0.05168231781849 0.61668684244603 0.57758768879015 112.411 > 51 103 Cd 0.94831768218151 0.11668684244603 0.17241231120985 112.411 > 52 104 Cd 0.94831768218151 0.11668684244603 0.67241231120985 112.411 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8788894 0.0000000 -0.0847886 0.0000000 3.7720743 0.0000000 -0.0847884 0.0000000 3.8751574 -------------------------- Born effective charges -------------------------- 1 O -1.7301563 0.4106502 -0.1821612 0.3047225 -2.3341101 0.1286067 -0.1645193 0.0983360 -1.2158202 2 O -1.7301563 -0.4106502 -0.1821612 -0.3047225 -2.3341101 -0.1286067 -0.1645193 -0.0983360 -1.2158202 3 O -1.7301563 0.4106502 -0.1821612 0.3047225 -2.3341101 0.1286067 -0.1645193 0.0983360 -1.2158202 4 O -1.7301563 -0.4106502 -0.1821612 -0.3047225 -2.3341101 -0.1286067 -0.1645193 -0.0983360 -1.2158202 5 O -1.7915907 0.0831035 -0.2246906 -0.0015505 -1.0572261 -0.0997106 -0.3760951 -0.0555316 -2.3375467 6 O -1.7915907 -0.0831035 -0.2246906 0.0015505 -1.0572261 0.0997106 -0.3760951 0.0555316 -2.3375467 7 O -1.7915907 0.0831035 -0.2246906 -0.0015505 -1.0572261 -0.0997106 -0.3760951 -0.0555316 -2.3375467 8 O -1.7915907 -0.0831035 -0.2246906 0.0015505 -1.0572261 0.0997106 -0.3760951 0.0555316 -2.3375467 9 O -1.9459603 0.1574243 0.4964610 0.0543263 -1.1388019 0.0691853 0.5371368 -0.1507056 -2.1318867 10 O -1.9459603 -0.1574243 0.4964610 -0.0543263 -1.1388019 -0.0691853 0.5371368 0.1507056 -2.1318867 11 O -1.9459603 0.1574243 0.4964610 0.0543263 -1.1388019 0.0691853 0.5371368 -0.1507056 -2.1318867 12 O -1.9459603 -0.1574243 0.4964610 -0.0543263 -1.1388019 -0.0691853 0.5371368 0.1507056 -2.1318867 13 O -2.0178477 -0.8311146 0.2473637 -0.8464022 -1.9886491 -0.0600196 0.1687858 -0.1138558 -1.4231062 14 O -2.0178477 0.8311146 0.2473637 0.8464022 -1.9886491 0.0600196 0.1687858 0.1138558 -1.4231062 15 O -2.0178477 -0.8311146 0.2473637 -0.8464022 -1.9886491 -0.0600196 0.1687858 -0.1138558 -1.4231062 16 O -2.0178477 0.8311146 0.2473637 0.8464022 -1.9886491 0.0600196 0.1687858 0.1138558 -1.4231062 17 O -1.4504450 -0.1952418 0.1176567 -0.2280991 -1.7909174 -0.5278461 0.1317810 -0.4466572 -2.0027533 18 O -1.4504450 0.1952418 0.1176567 0.2280991 -1.7909174 0.5278461 0.1317810 0.4466572 -2.0027533 19 O -1.4504450 -0.1952418 0.1176567 -0.2280991 -1.7909174 -0.5278461 0.1317810 -0.4466572 -2.0027533 20 O -1.4504450 0.1952418 0.1176567 0.2280991 -1.7909174 0.5278461 0.1317810 0.4466572 -2.0027533 21 O -1.2587103 -0.0548879 -0.0582155 -0.0498175 -1.8320857 -0.4376876 -0.0062595 -0.4060841 -2.2604732 22 O -1.2587103 0.0548879 -0.0582155 0.0498175 -1.8320857 0.4376876 -0.0062595 0.4060841 -2.2604732 23 O -1.2587103 -0.0548879 -0.0582155 -0.0498175 -1.8320857 -0.4376876 -0.0062595 -0.4060841 -2.2604732 24 O -1.2587103 0.0548879 -0.0582155 0.0498175 -1.8320857 0.4376876 -0.0062595 0.4060841 -2.2604732 25 O -2.0508761 0.2113868 -0.0130493 0.1957543 -2.0310943 0.0755331 0.0293906 0.0908203 -1.1941135 26 O -2.0508761 -0.2113868 -0.0130493 -0.1957543 -2.0310943 -0.0755331 0.0293906 -0.0908203 -1.1941135 27 O -2.0508761 0.2113868 -0.0130493 0.1957543 -2.0310943 0.0755331 0.0293906 0.0908203 -1.1941135 28 O -2.0508761 -0.2113868 -0.0130493 -0.1957543 -2.0310943 -0.0755331 0.0293906 -0.0908203 -1.1941135 29 O -2.1413984 -0.6185915 0.1108372 -0.6508478 -1.7128406 -0.1326930 0.0374849 -0.2474753 -1.5635779 30 O -2.1413984 0.6185915 0.1108372 0.6508478 -1.7128406 0.1326930 0.0374849 0.2474753 -1.5635779 31 O -2.1413984 -0.6185915 0.1108372 -0.6508478 -1.7128406 -0.1326930 0.0374849 -0.2474753 -1.5635779 32 O -2.1413984 0.6185915 0.1108372 0.6508478 -1.7128406 0.1326930 0.0374849 0.2474753 -1.5635779 33 As 3.6244472 -0.1125668 -0.2532141 0.2309047 3.4583951 -0.3252759 -0.0856644 0.1577605 3.0560397 34 As 3.6244472 0.1125668 -0.2532141 -0.2309047 3.4583951 0.3252759 -0.0856644 -0.1577605 3.0560397 35 As 3.6244472 -0.1125668 -0.2532141 0.2309047 3.4583951 -0.3252759 -0.0856644 0.1577605 3.0560397 36 As 3.6244472 0.1125668 -0.2532141 -0.2309047 3.4583951 0.3252759 -0.0856644 -0.1577605 3.0560397 37 As 3.1778462 -0.4345398 -0.2000813 -0.0511004 3.3776718 0.0570242 -0.1689915 -0.0427130 3.3856762 38 As 3.1778462 0.4345398 -0.2000813 0.0511004 3.3776718 -0.0570242 -0.1689915 0.0427130 3.3856762 39 As 3.1778462 -0.4345398 -0.2000813 -0.0511004 3.3776718 0.0570242 -0.1689915 -0.0427130 3.3856762 40 As 3.1778462 0.4345398 -0.2000813 0.0511004 3.3776718 -0.0570242 -0.1689915 0.0427130 3.3856762 41 Cd 2.5142789 0.1350822 -0.1170582 0.2412537 2.4656868 0.0748928 -0.1680443 -0.0687897 2.4450290 42 Cd 2.5142789 -0.1350822 -0.1170582 -0.2412537 2.4656868 -0.0748928 -0.1680443 0.0687897 2.4450290 43 Cd 2.5142789 0.1350822 -0.1170582 0.2412537 2.4656868 0.0748928 -0.1680443 -0.0687897 2.4450290 44 Cd 2.5142789 -0.1350822 -0.1170582 -0.2412537 2.4656868 -0.0748928 -0.1680443 0.0687897 2.4450290 45 Cd 2.5940474 -0.1078920 0.1493699 -0.0925361 1.9346878 -0.0261564 0.1458492 -0.0955025 2.7725307 46 Cd 2.5940474 0.1078920 0.1493699 0.0925361 1.9346878 0.0261564 0.1458492 0.0955025 2.7725307 47 Cd 2.5940474 -0.1078920 0.1493699 -0.0925361 1.9346878 -0.0261564 0.1458492 -0.0955025 2.7725307 48 Cd 2.5940474 0.1078920 0.1493699 0.0925361 1.9346878 0.0261564 0.1458492 0.0955025 2.7725307 49 Cd 2.4763650 -0.1698399 -0.0732183 -0.2052368 2.6492838 -0.1291489 -0.0808543 -0.1558075 2.4700019 50 Cd 2.4763650 0.1698399 -0.0732183 0.2052368 2.6492838 0.1291489 -0.0808543 0.1558075 2.4700019 51 Cd 2.4763650 -0.1698399 -0.0732183 -0.2052368 2.6492838 -0.1291489 -0.0808543 -0.1558075 2.4700019 52 Cd 2.4763650 0.1698399 -0.0732183 0.2052368 2.6492838 0.1291489 -0.0808543 0.1558075 2.4700019 ---------------------------------------------------------------------------- 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: 6201 Number of blocks in projector: 6201 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 332 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 332 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 42), data: (1352, 68) @ (68, 42) |-- (352, 332), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 42), data: (1352, 68) @ (68, 42) |-- (352, 332), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 1.540 Solver_block: 200 / 1600 - Time: 1.387 Solver_block: 300 / 1600 - Time: 1.390 Solver_block: 400 / 1600 - Time: 1.382 Solver_block: 500 / 1600 - Time: 1.384 Solver_block: 600 / 1600 - Time: 1.390 Solver_block: 700 / 1600 - Time: 1.389 Solver_block: 800 / 1600 - Time: 1.389 Solver_block: 900 / 1600 - Time: 1.394 Solver_block: 1000 / 1600 - Time: 1.382 Solver_block: 1100 / 1600 - Time: 1.383 Solver_block: 1200 / 1600 - Time: 1.388 Solver_block: 1300 / 1600 - Time: 1.392 Solver_block: 1400 / 1600 - Time: 1.383 Solver_block: 1500 / 1600 - Time: 1.381 Solver_block: 1600 / 1600 - Time: 1.386 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 22.967 --------------------------------- 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: 6201 Number of blocks in projector: 6201 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 332 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 332 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 42), data: (1352, 68) @ (68, 42) |-- (352, 332), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 42), data: (1352, 68) @ (68, 42) |-- (352, 332), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), 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 00:18:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:18:34]------------------------- Compiled with OpenMP support (max 48 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.277554261559903 0.000000000000000 0.000000000000000 b 0.000000000000000 12.080908360000000 0.000000000000000 c -0.950493751937959 0.000000000000000 6.558678351131731 Atomic positions (fractional): 1 O 0.52912629079773 0.53885325079074 0.74962740292235 15.999 2 O 0.47087370920227 0.03885325079074 0.75037259707765 15.999 3 O 0.47087370920227 0.46114674920926 0.25037259707765 15.999 4 O 0.52912629079773 0.96114674920926 0.24962740292235 15.999 5 O 0.73691691549408 0.42291369758599 0.01941103146300 15.999 6 O 0.26308308450592 0.92291369758599 0.48058896853700 15.999 7 O 0.26308308450592 0.57708630241401 0.98058896853700 15.999 8 O 0.73691691549408 0.07708630241401 0.51941103146300 15.999 9 O 0.70824761745697 0.36612209866463 0.63770026333022 15.999 10 O 0.29175238254303 0.86612209866463 0.86229973666978 15.999 11 O 0.29175238254303 0.63387790133537 0.36229973666978 15.999 12 O 0.70824761745697 0.13387790133537 0.13770026333022 15.999 13 O 0.47567494985219 0.31876728431334 0.84575578029072 15.999 14 O 0.52432505014781 0.81876728431334 0.65424421970928 15.999 15 O 0.52432505014781 0.68123271568666 0.15424421970927 15.999 16 O 0.47567494985219 0.18123271568666 0.34575578029073 15.999 17 O 0.11808671004979 0.43711465308301 0.61115888843467 15.999 18 O 0.88191328995021 0.93711465308301 0.88884111156533 15.999 19 O 0.88191328995021 0.56288534691699 0.38884111156533 15.999 20 O 0.11808671004979 0.06288534691699 0.11115888843467 15.999 21 O 0.08044476060716 0.06657213294410 0.66820851123408 15.999 22 O 0.91955523939284 0.56657213294410 0.83179148876592 15.999 23 O 0.91955523939284 0.93342786705590 0.33179148876592 15.999 24 O 0.08044476060716 0.43342786705590 0.16820851123408 15.999 25 O 0.92188895985362 0.20445322183625 0.90075064150455 15.999 26 O 0.07811104014638 0.70445322183624 0.59924935849545 15.999 27 O 0.07811104014638 0.79554677816376 0.09924935849545 15.999 28 O 0.92188895985362 0.29554677816376 0.40075064150455 15.999 29 O 0.21175133624457 0.23445739303461 0.87573774975764 15.999 30 O 0.78824866375543 0.73445739303461 0.62426225024236 15.999 31 O 0.78824866375543 0.76554260696539 0.12426225024236 15.999 32 O 0.21175133624457 0.26554260696539 0.37573774975764 15.999 33 As 0.60661300793988 0.41239057481397 0.81388883271928 74.922 34 As 0.39338699206012 0.91239057481397 0.68611116728072 74.922 35 As 0.39338699206012 0.58760942518603 0.18611116728072 74.922 36 As 0.60661300793988 0.08760942518603 0.31388883271928 74.922 37 As 0.08114952886053 0.36354417487877 0.39165013945761 74.922 38 As 0.91885047113947 0.86354417487877 0.10834986054239 74.922 39 As 0.91885047113947 0.63645582512123 0.60834986054239 74.922 40 As 0.08114952886053 0.13645582512123 0.89165013945761 74.922 41 Cd 0.35609596205621 0.30792448931680 0.13107202452854 112.411 42 Cd 0.64390403794379 0.80792448931680 0.36892797547146 112.411 43 Cd 0.64390403794379 0.69207551068320 0.86892797547147 112.411 44 Cd 0.35609596205621 0.19207551068320 0.63107202452853 112.411 45 Cd 0.71871352368427 0.42175941913139 0.33489313055711 112.411 46 Cd 0.28128647631573 0.92175941913139 0.16510686944289 112.411 47 Cd 0.28128647631573 0.57824058086861 0.66510686944289 112.411 48 Cd 0.71871352368427 0.07824058086861 0.83489313055711 112.411 49 Cd 0.94831768218151 0.38331315755397 0.84482462241971 112.411 50 Cd 0.05168231781849 0.88331315755397 0.65517537758029 112.411 51 Cd 0.05168231781849 0.61668684244603 0.15517537758029 112.411 52 Cd 0.94831768218151 0.11668684244603 0.34482462241971 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.277554261559903 0.000000000000000 0.000000000000000 b 0.000000000000000 12.080908360000000 0.000000000000000 c -1.900987503875918 0.000000000000000 13.117356702263463 Atomic positions (fractional): 1 O 0.52912629079773 0.53885325079074 0.37481370146117 15.999 > 1 2 O 0.52912629079773 0.53885325079074 0.87481370146117 15.999 > 1 3 O 0.47087370920227 0.03885325079074 0.37518629853883 15.999 > 3 4 O 0.47087370920227 0.03885325079074 0.87518629853883 15.999 > 3 5 O 0.47087370920227 0.46114674920926 0.12518629853883 15.999 > 5 6 O 0.47087370920227 0.46114674920926 0.62518629853883 15.999 > 5 7 O 0.52912629079773 0.96114674920926 0.12481370146117 15.999 > 7 8 O 0.52912629079773 0.96114674920926 0.62481370146117 15.999 > 7 9 O 0.73691691549408 0.42291369758599 0.00970551573150 15.999 > 9 10 O 0.73691691549408 0.42291369758599 0.50970551573150 15.999 > 9 11 O 0.26308308450592 0.92291369758599 0.24029448426850 15.999 > 11 12 O 0.26308308450592 0.92291369758599 0.74029448426850 15.999 > 11 13 O 0.26308308450592 0.57708630241401 0.49029448426850 15.999 > 13 14 O 0.26308308450592 0.57708630241401 0.99029448426850 15.999 > 13 15 O 0.73691691549408 0.07708630241401 0.25970551573150 15.999 > 15 16 O 0.73691691549408 0.07708630241401 0.75970551573150 15.999 > 15 17 O 0.70824761745697 0.36612209866463 0.31885013166511 15.999 > 17 18 O 0.70824761745697 0.36612209866463 0.81885013166511 15.999 > 17 19 O 0.29175238254303 0.86612209866463 0.43114986833489 15.999 > 19 20 O 0.29175238254303 0.86612209866463 0.93114986833489 15.999 > 19 21 O 0.29175238254303 0.63387790133537 0.18114986833489 15.999 > 21 22 O 0.29175238254303 0.63387790133537 0.68114986833489 15.999 > 21 23 O 0.70824761745697 0.13387790133537 0.06885013166511 15.999 > 23 24 O 0.70824761745697 0.13387790133537 0.56885013166511 15.999 > 23 25 O 0.47567494985219 0.31876728431334 0.42287789014536 15.999 > 25 26 O 0.47567494985219 0.31876728431334 0.92287789014536 15.999 > 25 27 O 0.52432505014781 0.81876728431334 0.32712210985464 15.999 > 27 28 O 0.52432505014781 0.81876728431334 0.82712210985464 15.999 > 27 29 O 0.52432505014781 0.68123271568666 0.07712210985464 15.999 > 29 30 O 0.52432505014781 0.68123271568666 0.57712210985464 15.999 > 29 31 O 0.47567494985219 0.18123271568666 0.17287789014536 15.999 > 31 32 O 0.47567494985219 0.18123271568666 0.67287789014536 15.999 > 31 33 O 0.11808671004979 0.43711465308301 0.30557944421733 15.999 > 33 34 O 0.11808671004979 0.43711465308301 0.80557944421733 15.999 > 33 35 O 0.88191328995021 0.93711465308301 0.44442055578267 15.999 > 35 36 O 0.88191328995021 0.93711465308301 0.94442055578267 15.999 > 35 37 O 0.88191328995021 0.56288534691699 0.19442055578267 15.999 > 37 38 O 0.88191328995021 0.56288534691699 0.69442055578267 15.999 > 37 39 O 0.11808671004979 0.06288534691699 0.05557944421733 15.999 > 39 40 O 0.11808671004979 0.06288534691699 0.55557944421733 15.999 > 39 41 O 0.08044476060716 0.06657213294410 0.33410425561704 15.999 > 41 42 O 0.08044476060716 0.06657213294410 0.83410425561704 15.999 > 41 43 O 0.91955523939284 0.56657213294410 0.41589574438296 15.999 > 43 44 O 0.91955523939284 0.56657213294410 0.91589574438296 15.999 > 43 45 O 0.91955523939284 0.93342786705590 0.16589574438296 15.999 > 45 46 O 0.91955523939284 0.93342786705590 0.66589574438296 15.999 > 45 47 O 0.08044476060716 0.43342786705590 0.08410425561704 15.999 > 47 48 O 0.08044476060716 0.43342786705590 0.58410425561704 15.999 > 47 49 O 0.92188895985362 0.20445322183625 0.45037532075228 15.999 > 49 50 O 0.92188895985362 0.20445322183625 0.95037532075228 15.999 > 49 51 O 0.07811104014638 0.70445322183624 0.29962467924772 15.999 > 51 52 O 0.07811104014638 0.70445322183624 0.79962467924772 15.999 > 51 53 O 0.07811104014638 0.79554677816376 0.04962467924772 15.999 > 53 54 O 0.07811104014638 0.79554677816376 0.54962467924772 15.999 > 53 55 O 0.92188895985362 0.29554677816376 0.20037532075228 15.999 > 55 56 O 0.92188895985362 0.29554677816376 0.70037532075228 15.999 > 55 57 O 0.21175133624457 0.23445739303461 0.43786887487882 15.999 > 57 58 O 0.21175133624457 0.23445739303461 0.93786887487882 15.999 > 57 59 O 0.78824866375543 0.73445739303461 0.31213112512118 15.999 > 59 60 O 0.78824866375543 0.73445739303461 0.81213112512118 15.999 > 59 61 O 0.78824866375543 0.76554260696539 0.06213112512118 15.999 > 61 62 O 0.78824866375543 0.76554260696539 0.56213112512118 15.999 > 61 63 O 0.21175133624457 0.26554260696539 0.18786887487882 15.999 > 63 64 O 0.21175133624457 0.26554260696539 0.68786887487882 15.999 > 63 65 As 0.60661300793988 0.41239057481397 0.40694441635964 74.922 > 65 66 As 0.60661300793988 0.41239057481397 0.90694441635964 74.922 > 65 67 As 0.39338699206012 0.91239057481397 0.34305558364036 74.922 > 67 68 As 0.39338699206012 0.91239057481397 0.84305558364036 74.922 > 67 69 As 0.39338699206012 0.58760942518603 0.09305558364036 74.922 > 69 70 As 0.39338699206012 0.58760942518603 0.59305558364036 74.922 > 69 71 As 0.60661300793988 0.08760942518603 0.15694441635964 74.922 > 71 72 As 0.60661300793988 0.08760942518603 0.65694441635964 74.922 > 71 73 As 0.08114952886053 0.36354417487877 0.19582506972881 74.922 > 73 74 As 0.08114952886053 0.36354417487877 0.69582506972881 74.922 > 73 75 As 0.91885047113947 0.86354417487877 0.05417493027119 74.922 > 75 76 As 0.91885047113947 0.86354417487877 0.55417493027119 74.922 > 75 77 As 0.91885047113947 0.63645582512123 0.30417493027119 74.922 > 77 78 As 0.91885047113947 0.63645582512123 0.80417493027119 74.922 > 77 79 As 0.08114952886053 0.13645582512123 0.44582506972881 74.922 > 79 80 As 0.08114952886053 0.13645582512123 0.94582506972881 74.922 > 79 81 Cd 0.35609596205621 0.30792448931680 0.06553601226427 112.411 > 81 82 Cd 0.35609596205621 0.30792448931680 0.56553601226427 112.411 > 81 83 Cd 0.64390403794379 0.80792448931680 0.18446398773573 112.411 > 83 84 Cd 0.64390403794379 0.80792448931680 0.68446398773573 112.411 > 83 85 Cd 0.64390403794379 0.69207551068320 0.43446398773573 112.411 > 85 86 Cd 0.64390403794379 0.69207551068320 0.93446398773573 112.411 > 85 87 Cd 0.35609596205621 0.19207551068320 0.31553601226427 112.411 > 87 88 Cd 0.35609596205621 0.19207551068320 0.81553601226427 112.411 > 87 89 Cd 0.71871352368427 0.42175941913139 0.16744656527856 112.411 > 89 90 Cd 0.71871352368427 0.42175941913139 0.66744656527856 112.411 > 89 91 Cd 0.28128647631573 0.92175941913139 0.08255343472144 112.411 > 91 92 Cd 0.28128647631573 0.92175941913139 0.58255343472144 112.411 > 91 93 Cd 0.28128647631573 0.57824058086861 0.33255343472144 112.411 > 93 94 Cd 0.28128647631573 0.57824058086861 0.83255343472144 112.411 > 93 95 Cd 0.71871352368427 0.07824058086861 0.41744656527856 112.411 > 95 96 Cd 0.71871352368427 0.07824058086861 0.91744656527856 112.411 > 95 97 Cd 0.94831768218151 0.38331315755397 0.42241231120985 112.411 > 97 98 Cd 0.94831768218151 0.38331315755397 0.92241231120985 112.411 > 97 99 Cd 0.05168231781849 0.88331315755397 0.32758768879015 112.411 > 99 100 Cd 0.05168231781849 0.88331315755397 0.82758768879015 112.411 > 99 101 Cd 0.05168231781849 0.61668684244603 0.07758768879015 112.411 > 101 102 Cd 0.05168231781849 0.61668684244603 0.57758768879015 112.411 > 101 103 Cd 0.94831768218151 0.11668684244603 0.17241231120985 112.411 > 103 104 Cd 0.94831768218151 0.11668684244603 0.67241231120985 112.411 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8788894 0.0000000 -0.0847886 0.0000000 3.7720743 0.0000000 -0.0847884 0.0000000 3.8751574 -------------------------- Born effective charges -------------------------- 1 O -1.7301563 0.4106502 -0.1821612 0.3047225 -2.3341101 0.1286067 -0.1645193 0.0983360 -1.2158202 2 O -1.7301563 -0.4106502 -0.1821612 -0.3047225 -2.3341101 -0.1286067 -0.1645193 -0.0983360 -1.2158202 3 O -1.7301563 0.4106502 -0.1821612 0.3047225 -2.3341101 0.1286067 -0.1645193 0.0983360 -1.2158202 4 O -1.7301563 -0.4106502 -0.1821612 -0.3047225 -2.3341101 -0.1286067 -0.1645193 -0.0983360 -1.2158202 5 O -1.7915907 0.0831035 -0.2246906 -0.0015505 -1.0572261 -0.0997106 -0.3760951 -0.0555316 -2.3375467 6 O -1.7915907 -0.0831035 -0.2246906 0.0015505 -1.0572261 0.0997106 -0.3760951 0.0555316 -2.3375467 7 O -1.7915907 0.0831035 -0.2246906 -0.0015505 -1.0572261 -0.0997106 -0.3760951 -0.0555316 -2.3375467 8 O -1.7915907 -0.0831035 -0.2246906 0.0015505 -1.0572261 0.0997106 -0.3760951 0.0555316 -2.3375467 9 O -1.9459603 0.1574243 0.4964610 0.0543263 -1.1388019 0.0691853 0.5371368 -0.1507056 -2.1318867 10 O -1.9459603 -0.1574243 0.4964610 -0.0543263 -1.1388019 -0.0691853 0.5371368 0.1507056 -2.1318867 11 O -1.9459603 0.1574243 0.4964610 0.0543263 -1.1388019 0.0691853 0.5371368 -0.1507056 -2.1318867 12 O -1.9459603 -0.1574243 0.4964610 -0.0543263 -1.1388019 -0.0691853 0.5371368 0.1507056 -2.1318867 13 O -2.0178477 -0.8311146 0.2473637 -0.8464022 -1.9886491 -0.0600196 0.1687858 -0.1138558 -1.4231062 14 O -2.0178477 0.8311146 0.2473637 0.8464022 -1.9886491 0.0600196 0.1687858 0.1138558 -1.4231062 15 O -2.0178477 -0.8311146 0.2473637 -0.8464022 -1.9886491 -0.0600196 0.1687858 -0.1138558 -1.4231062 16 O -2.0178477 0.8311146 0.2473637 0.8464022 -1.9886491 0.0600196 0.1687858 0.1138558 -1.4231062 17 O -1.4504450 -0.1952418 0.1176567 -0.2280991 -1.7909174 -0.5278461 0.1317810 -0.4466572 -2.0027533 18 O -1.4504450 0.1952418 0.1176567 0.2280991 -1.7909174 0.5278461 0.1317810 0.4466572 -2.0027533 19 O -1.4504450 -0.1952418 0.1176567 -0.2280991 -1.7909174 -0.5278461 0.1317810 -0.4466572 -2.0027533 20 O -1.4504450 0.1952418 0.1176567 0.2280991 -1.7909174 0.5278461 0.1317810 0.4466572 -2.0027533 21 O -1.2587103 -0.0548879 -0.0582155 -0.0498175 -1.8320857 -0.4376876 -0.0062595 -0.4060841 -2.2604732 22 O -1.2587103 0.0548879 -0.0582155 0.0498175 -1.8320857 0.4376876 -0.0062595 0.4060841 -2.2604732 23 O -1.2587103 -0.0548879 -0.0582155 -0.0498175 -1.8320857 -0.4376876 -0.0062595 -0.4060841 -2.2604732 24 O -1.2587103 0.0548879 -0.0582155 0.0498175 -1.8320857 0.4376876 -0.0062595 0.4060841 -2.2604732 25 O -2.0508761 0.2113868 -0.0130493 0.1957543 -2.0310943 0.0755331 0.0293906 0.0908203 -1.1941135 26 O -2.0508761 -0.2113868 -0.0130493 -0.1957543 -2.0310943 -0.0755331 0.0293906 -0.0908203 -1.1941135 27 O -2.0508761 0.2113868 -0.0130493 0.1957543 -2.0310943 0.0755331 0.0293906 0.0908203 -1.1941135 28 O -2.0508761 -0.2113868 -0.0130493 -0.1957543 -2.0310943 -0.0755331 0.0293906 -0.0908203 -1.1941135 29 O -2.1413984 -0.6185915 0.1108372 -0.6508478 -1.7128406 -0.1326930 0.0374849 -0.2474753 -1.5635779 30 O -2.1413984 0.6185915 0.1108372 0.6508478 -1.7128406 0.1326930 0.0374849 0.2474753 -1.5635779 31 O -2.1413984 -0.6185915 0.1108372 -0.6508478 -1.7128406 -0.1326930 0.0374849 -0.2474753 -1.5635779 32 O -2.1413984 0.6185915 0.1108372 0.6508478 -1.7128406 0.1326930 0.0374849 0.2474753 -1.5635779 33 As 3.6244472 -0.1125668 -0.2532141 0.2309047 3.4583951 -0.3252759 -0.0856644 0.1577605 3.0560397 34 As 3.6244472 0.1125668 -0.2532141 -0.2309047 3.4583951 0.3252759 -0.0856644 -0.1577605 3.0560397 35 As 3.6244472 -0.1125668 -0.2532141 0.2309047 3.4583951 -0.3252759 -0.0856644 0.1577605 3.0560397 36 As 3.6244472 0.1125668 -0.2532141 -0.2309047 3.4583951 0.3252759 -0.0856644 -0.1577605 3.0560397 37 As 3.1778462 -0.4345398 -0.2000813 -0.0511004 3.3776718 0.0570242 -0.1689915 -0.0427130 3.3856762 38 As 3.1778462 0.4345398 -0.2000813 0.0511004 3.3776718 -0.0570242 -0.1689915 0.0427130 3.3856762 39 As 3.1778462 -0.4345398 -0.2000813 -0.0511004 3.3776718 0.0570242 -0.1689915 -0.0427130 3.3856762 40 As 3.1778462 0.4345398 -0.2000813 0.0511004 3.3776718 -0.0570242 -0.1689915 0.0427130 3.3856762 41 Cd 2.5142789 0.1350822 -0.1170582 0.2412537 2.4656868 0.0748928 -0.1680443 -0.0687897 2.4450290 42 Cd 2.5142789 -0.1350822 -0.1170582 -0.2412537 2.4656868 -0.0748928 -0.1680443 0.0687897 2.4450290 43 Cd 2.5142789 0.1350822 -0.1170582 0.2412537 2.4656868 0.0748928 -0.1680443 -0.0687897 2.4450290 44 Cd 2.5142789 -0.1350822 -0.1170582 -0.2412537 2.4656868 -0.0748928 -0.1680443 0.0687897 2.4450290 45 Cd 2.5940474 -0.1078920 0.1493699 -0.0925361 1.9346878 -0.0261564 0.1458492 -0.0955025 2.7725307 46 Cd 2.5940474 0.1078920 0.1493699 0.0925361 1.9346878 0.0261564 0.1458492 0.0955025 2.7725307 47 Cd 2.5940474 -0.1078920 0.1493699 -0.0925361 1.9346878 -0.0261564 0.1458492 -0.0955025 2.7725307 48 Cd 2.5940474 0.1078920 0.1493699 0.0925361 1.9346878 0.0261564 0.1458492 0.0955025 2.7725307 49 Cd 2.4763650 -0.1698399 -0.0732183 -0.2052368 2.6492838 -0.1291489 -0.0808543 -0.1558075 2.4700019 50 Cd 2.4763650 0.1698399 -0.0732183 0.2052368 2.6492838 0.1291489 -0.0808543 0.1558075 2.4700019 51 Cd 2.4763650 -0.1698399 -0.0732183 -0.2052368 2.6492838 -0.1291489 -0.0808543 -0.1558075 2.4700019 52 Cd 2.4763650 0.1698399 -0.0732183 0.2052368 2.6492838 0.1291489 -0.0808543 0.1558075 2.4700019 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 9, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 00:19:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:19:17]------------------------- Compiled with OpenMP support (max 48 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.277554261559903 0.000000000000000 0.000000000000000 b 0.000000000000000 12.080908360000000 0.000000000000000 c -0.950493751937959 0.000000000000000 6.558678351131731 Atomic positions (fractional): 1 O 0.52912629079773 0.53885325079074 0.74962740292235 15.999 2 O 0.47087370920227 0.03885325079074 0.75037259707765 15.999 3 O 0.47087370920227 0.46114674920926 0.25037259707765 15.999 4 O 0.52912629079773 0.96114674920926 0.24962740292235 15.999 5 O 0.73691691549408 0.42291369758599 0.01941103146300 15.999 6 O 0.26308308450592 0.92291369758599 0.48058896853700 15.999 7 O 0.26308308450592 0.57708630241401 0.98058896853700 15.999 8 O 0.73691691549408 0.07708630241401 0.51941103146300 15.999 9 O 0.70824761745697 0.36612209866463 0.63770026333022 15.999 10 O 0.29175238254303 0.86612209866463 0.86229973666978 15.999 11 O 0.29175238254303 0.63387790133537 0.36229973666978 15.999 12 O 0.70824761745697 0.13387790133537 0.13770026333022 15.999 13 O 0.47567494985219 0.31876728431334 0.84575578029072 15.999 14 O 0.52432505014781 0.81876728431334 0.65424421970928 15.999 15 O 0.52432505014781 0.68123271568666 0.15424421970927 15.999 16 O 0.47567494985219 0.18123271568666 0.34575578029073 15.999 17 O 0.11808671004979 0.43711465308301 0.61115888843467 15.999 18 O 0.88191328995021 0.93711465308301 0.88884111156533 15.999 19 O 0.88191328995021 0.56288534691699 0.38884111156533 15.999 20 O 0.11808671004979 0.06288534691699 0.11115888843467 15.999 21 O 0.08044476060716 0.06657213294410 0.66820851123408 15.999 22 O 0.91955523939284 0.56657213294410 0.83179148876592 15.999 23 O 0.91955523939284 0.93342786705590 0.33179148876592 15.999 24 O 0.08044476060716 0.43342786705590 0.16820851123408 15.999 25 O 0.92188895985362 0.20445322183625 0.90075064150455 15.999 26 O 0.07811104014638 0.70445322183624 0.59924935849545 15.999 27 O 0.07811104014638 0.79554677816376 0.09924935849545 15.999 28 O 0.92188895985362 0.29554677816376 0.40075064150455 15.999 29 O 0.21175133624457 0.23445739303461 0.87573774975764 15.999 30 O 0.78824866375543 0.73445739303461 0.62426225024236 15.999 31 O 0.78824866375543 0.76554260696539 0.12426225024236 15.999 32 O 0.21175133624457 0.26554260696539 0.37573774975764 15.999 33 As 0.60661300793988 0.41239057481397 0.81388883271928 74.922 34 As 0.39338699206012 0.91239057481397 0.68611116728072 74.922 35 As 0.39338699206012 0.58760942518603 0.18611116728072 74.922 36 As 0.60661300793988 0.08760942518603 0.31388883271928 74.922 37 As 0.08114952886053 0.36354417487877 0.39165013945761 74.922 38 As 0.91885047113947 0.86354417487877 0.10834986054239 74.922 39 As 0.91885047113947 0.63645582512123 0.60834986054239 74.922 40 As 0.08114952886053 0.13645582512123 0.89165013945761 74.922 41 Cd 0.35609596205621 0.30792448931680 0.13107202452854 112.411 42 Cd 0.64390403794379 0.80792448931680 0.36892797547146 112.411 43 Cd 0.64390403794379 0.69207551068320 0.86892797547147 112.411 44 Cd 0.35609596205621 0.19207551068320 0.63107202452853 112.411 45 Cd 0.71871352368427 0.42175941913139 0.33489313055711 112.411 46 Cd 0.28128647631573 0.92175941913139 0.16510686944289 112.411 47 Cd 0.28128647631573 0.57824058086861 0.66510686944289 112.411 48 Cd 0.71871352368427 0.07824058086861 0.83489313055711 112.411 49 Cd 0.94831768218151 0.38331315755397 0.84482462241971 112.411 50 Cd 0.05168231781849 0.88331315755397 0.65517537758029 112.411 51 Cd 0.05168231781849 0.61668684244603 0.15517537758029 112.411 52 Cd 0.94831768218151 0.11668684244603 0.34482462241971 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.277554261559903 0.000000000000000 0.000000000000000 b 0.000000000000000 12.080908360000000 0.000000000000000 c -1.900987503875918 0.000000000000000 13.117356702263463 Atomic positions (fractional): 1 O 0.52912629079773 0.53885325079074 0.37481370146117 15.999 > 1 2 O 0.52912629079773 0.53885325079074 0.87481370146117 15.999 > 1 3 O 0.47087370920227 0.03885325079074 0.37518629853883 15.999 > 3 4 O 0.47087370920227 0.03885325079074 0.87518629853883 15.999 > 3 5 O 0.47087370920227 0.46114674920926 0.12518629853883 15.999 > 5 6 O 0.47087370920227 0.46114674920926 0.62518629853883 15.999 > 5 7 O 0.52912629079773 0.96114674920926 0.12481370146117 15.999 > 7 8 O 0.52912629079773 0.96114674920926 0.62481370146117 15.999 > 7 9 O 0.73691691549408 0.42291369758599 0.00970551573150 15.999 > 9 10 O 0.73691691549408 0.42291369758599 0.50970551573150 15.999 > 9 11 O 0.26308308450592 0.92291369758599 0.24029448426850 15.999 > 11 12 O 0.26308308450592 0.92291369758599 0.74029448426850 15.999 > 11 13 O 0.26308308450592 0.57708630241401 0.49029448426850 15.999 > 13 14 O 0.26308308450592 0.57708630241401 0.99029448426850 15.999 > 13 15 O 0.73691691549408 0.07708630241401 0.25970551573150 15.999 > 15 16 O 0.73691691549408 0.07708630241401 0.75970551573150 15.999 > 15 17 O 0.70824761745697 0.36612209866463 0.31885013166511 15.999 > 17 18 O 0.70824761745697 0.36612209866463 0.81885013166511 15.999 > 17 19 O 0.29175238254303 0.86612209866463 0.43114986833489 15.999 > 19 20 O 0.29175238254303 0.86612209866463 0.93114986833489 15.999 > 19 21 O 0.29175238254303 0.63387790133537 0.18114986833489 15.999 > 21 22 O 0.29175238254303 0.63387790133537 0.68114986833489 15.999 > 21 23 O 0.70824761745697 0.13387790133537 0.06885013166511 15.999 > 23 24 O 0.70824761745697 0.13387790133537 0.56885013166511 15.999 > 23 25 O 0.47567494985219 0.31876728431334 0.42287789014536 15.999 > 25 26 O 0.47567494985219 0.31876728431334 0.92287789014536 15.999 > 25 27 O 0.52432505014781 0.81876728431334 0.32712210985464 15.999 > 27 28 O 0.52432505014781 0.81876728431334 0.82712210985464 15.999 > 27 29 O 0.52432505014781 0.68123271568666 0.07712210985464 15.999 > 29 30 O 0.52432505014781 0.68123271568666 0.57712210985464 15.999 > 29 31 O 0.47567494985219 0.18123271568666 0.17287789014536 15.999 > 31 32 O 0.47567494985219 0.18123271568666 0.67287789014536 15.999 > 31 33 O 0.11808671004979 0.43711465308301 0.30557944421733 15.999 > 33 34 O 0.11808671004979 0.43711465308301 0.80557944421733 15.999 > 33 35 O 0.88191328995021 0.93711465308301 0.44442055578267 15.999 > 35 36 O 0.88191328995021 0.93711465308301 0.94442055578267 15.999 > 35 37 O 0.88191328995021 0.56288534691699 0.19442055578267 15.999 > 37 38 O 0.88191328995021 0.56288534691699 0.69442055578267 15.999 > 37 39 O 0.11808671004979 0.06288534691699 0.05557944421733 15.999 > 39 40 O 0.11808671004979 0.06288534691699 0.55557944421733 15.999 > 39 41 O 0.08044476060716 0.06657213294410 0.33410425561704 15.999 > 41 42 O 0.08044476060716 0.06657213294410 0.83410425561704 15.999 > 41 43 O 0.91955523939284 0.56657213294410 0.41589574438296 15.999 > 43 44 O 0.91955523939284 0.56657213294410 0.91589574438296 15.999 > 43 45 O 0.91955523939284 0.93342786705590 0.16589574438296 15.999 > 45 46 O 0.91955523939284 0.93342786705590 0.66589574438296 15.999 > 45 47 O 0.08044476060716 0.43342786705590 0.08410425561704 15.999 > 47 48 O 0.08044476060716 0.43342786705590 0.58410425561704 15.999 > 47 49 O 0.92188895985362 0.20445322183625 0.45037532075228 15.999 > 49 50 O 0.92188895985362 0.20445322183625 0.95037532075228 15.999 > 49 51 O 0.07811104014638 0.70445322183624 0.29962467924772 15.999 > 51 52 O 0.07811104014638 0.70445322183624 0.79962467924772 15.999 > 51 53 O 0.07811104014638 0.79554677816376 0.04962467924772 15.999 > 53 54 O 0.07811104014638 0.79554677816376 0.54962467924772 15.999 > 53 55 O 0.92188895985362 0.29554677816376 0.20037532075228 15.999 > 55 56 O 0.92188895985362 0.29554677816376 0.70037532075228 15.999 > 55 57 O 0.21175133624457 0.23445739303461 0.43786887487882 15.999 > 57 58 O 0.21175133624457 0.23445739303461 0.93786887487882 15.999 > 57 59 O 0.78824866375543 0.73445739303461 0.31213112512118 15.999 > 59 60 O 0.78824866375543 0.73445739303461 0.81213112512118 15.999 > 59 61 O 0.78824866375543 0.76554260696539 0.06213112512118 15.999 > 61 62 O 0.78824866375543 0.76554260696539 0.56213112512118 15.999 > 61 63 O 0.21175133624457 0.26554260696539 0.18786887487882 15.999 > 63 64 O 0.21175133624457 0.26554260696539 0.68786887487882 15.999 > 63 65 As 0.60661300793988 0.41239057481397 0.40694441635964 74.922 > 65 66 As 0.60661300793988 0.41239057481397 0.90694441635964 74.922 > 65 67 As 0.39338699206012 0.91239057481397 0.34305558364036 74.922 > 67 68 As 0.39338699206012 0.91239057481397 0.84305558364036 74.922 > 67 69 As 0.39338699206012 0.58760942518603 0.09305558364036 74.922 > 69 70 As 0.39338699206012 0.58760942518603 0.59305558364036 74.922 > 69 71 As 0.60661300793988 0.08760942518603 0.15694441635964 74.922 > 71 72 As 0.60661300793988 0.08760942518603 0.65694441635964 74.922 > 71 73 As 0.08114952886053 0.36354417487877 0.19582506972881 74.922 > 73 74 As 0.08114952886053 0.36354417487877 0.69582506972881 74.922 > 73 75 As 0.91885047113947 0.86354417487877 0.05417493027119 74.922 > 75 76 As 0.91885047113947 0.86354417487877 0.55417493027119 74.922 > 75 77 As 0.91885047113947 0.63645582512123 0.30417493027119 74.922 > 77 78 As 0.91885047113947 0.63645582512123 0.80417493027119 74.922 > 77 79 As 0.08114952886053 0.13645582512123 0.44582506972881 74.922 > 79 80 As 0.08114952886053 0.13645582512123 0.94582506972881 74.922 > 79 81 Cd 0.35609596205621 0.30792448931680 0.06553601226427 112.411 > 81 82 Cd 0.35609596205621 0.30792448931680 0.56553601226427 112.411 > 81 83 Cd 0.64390403794379 0.80792448931680 0.18446398773573 112.411 > 83 84 Cd 0.64390403794379 0.80792448931680 0.68446398773573 112.411 > 83 85 Cd 0.64390403794379 0.69207551068320 0.43446398773573 112.411 > 85 86 Cd 0.64390403794379 0.69207551068320 0.93446398773573 112.411 > 85 87 Cd 0.35609596205621 0.19207551068320 0.31553601226427 112.411 > 87 88 Cd 0.35609596205621 0.19207551068320 0.81553601226427 112.411 > 87 89 Cd 0.71871352368427 0.42175941913139 0.16744656527856 112.411 > 89 90 Cd 0.71871352368427 0.42175941913139 0.66744656527856 112.411 > 89 91 Cd 0.28128647631573 0.92175941913139 0.08255343472144 112.411 > 91 92 Cd 0.28128647631573 0.92175941913139 0.58255343472144 112.411 > 91 93 Cd 0.28128647631573 0.57824058086861 0.33255343472144 112.411 > 93 94 Cd 0.28128647631573 0.57824058086861 0.83255343472144 112.411 > 93 95 Cd 0.71871352368427 0.07824058086861 0.41744656527856 112.411 > 95 96 Cd 0.71871352368427 0.07824058086861 0.91744656527856 112.411 > 95 97 Cd 0.94831768218151 0.38331315755397 0.42241231120985 112.411 > 97 98 Cd 0.94831768218151 0.38331315755397 0.92241231120985 112.411 > 97 99 Cd 0.05168231781849 0.88331315755397 0.32758768879015 112.411 > 99 100 Cd 0.05168231781849 0.88331315755397 0.82758768879015 112.411 > 99 101 Cd 0.05168231781849 0.61668684244603 0.07758768879015 112.411 > 101 102 Cd 0.05168231781849 0.61668684244603 0.57758768879015 112.411 > 101 103 Cd 0.94831768218151 0.11668684244603 0.17241231120985 112.411 > 103 104 Cd 0.94831768218151 0.11668684244603 0.67241231120985 112.411 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8788894 0.0000000 -0.0847886 0.0000000 3.7720743 0.0000000 -0.0847884 0.0000000 3.8751574 -------------------------- Born effective charges -------------------------- 1 O -1.7301563 0.4106502 -0.1821612 0.3047225 -2.3341101 0.1286067 -0.1645193 0.0983360 -1.2158202 2 O -1.7301563 -0.4106502 -0.1821612 -0.3047225 -2.3341101 -0.1286067 -0.1645193 -0.0983360 -1.2158202 3 O -1.7301563 0.4106502 -0.1821612 0.3047225 -2.3341101 0.1286067 -0.1645193 0.0983360 -1.2158202 4 O -1.7301563 -0.4106502 -0.1821612 -0.3047225 -2.3341101 -0.1286067 -0.1645193 -0.0983360 -1.2158202 5 O -1.7915907 0.0831035 -0.2246906 -0.0015505 -1.0572261 -0.0997106 -0.3760951 -0.0555316 -2.3375467 6 O -1.7915907 -0.0831035 -0.2246906 0.0015505 -1.0572261 0.0997106 -0.3760951 0.0555316 -2.3375467 7 O -1.7915907 0.0831035 -0.2246906 -0.0015505 -1.0572261 -0.0997106 -0.3760951 -0.0555316 -2.3375467 8 O -1.7915907 -0.0831035 -0.2246906 0.0015505 -1.0572261 0.0997106 -0.3760951 0.0555316 -2.3375467 9 O -1.9459603 0.1574243 0.4964610 0.0543263 -1.1388019 0.0691853 0.5371368 -0.1507056 -2.1318867 10 O -1.9459603 -0.1574243 0.4964610 -0.0543263 -1.1388019 -0.0691853 0.5371368 0.1507056 -2.1318867 11 O -1.9459603 0.1574243 0.4964610 0.0543263 -1.1388019 0.0691853 0.5371368 -0.1507056 -2.1318867 12 O -1.9459603 -0.1574243 0.4964610 -0.0543263 -1.1388019 -0.0691853 0.5371368 0.1507056 -2.1318867 13 O -2.0178477 -0.8311146 0.2473637 -0.8464022 -1.9886491 -0.0600196 0.1687858 -0.1138558 -1.4231062 14 O -2.0178477 0.8311146 0.2473637 0.8464022 -1.9886491 0.0600196 0.1687858 0.1138558 -1.4231062 15 O -2.0178477 -0.8311146 0.2473637 -0.8464022 -1.9886491 -0.0600196 0.1687858 -0.1138558 -1.4231062 16 O -2.0178477 0.8311146 0.2473637 0.8464022 -1.9886491 0.0600196 0.1687858 0.1138558 -1.4231062 17 O -1.4504450 -0.1952418 0.1176567 -0.2280991 -1.7909174 -0.5278461 0.1317810 -0.4466572 -2.0027533 18 O -1.4504450 0.1952418 0.1176567 0.2280991 -1.7909174 0.5278461 0.1317810 0.4466572 -2.0027533 19 O -1.4504450 -0.1952418 0.1176567 -0.2280991 -1.7909174 -0.5278461 0.1317810 -0.4466572 -2.0027533 20 O -1.4504450 0.1952418 0.1176567 0.2280991 -1.7909174 0.5278461 0.1317810 0.4466572 -2.0027533 21 O -1.2587103 -0.0548879 -0.0582155 -0.0498175 -1.8320857 -0.4376876 -0.0062595 -0.4060841 -2.2604732 22 O -1.2587103 0.0548879 -0.0582155 0.0498175 -1.8320857 0.4376876 -0.0062595 0.4060841 -2.2604732 23 O -1.2587103 -0.0548879 -0.0582155 -0.0498175 -1.8320857 -0.4376876 -0.0062595 -0.4060841 -2.2604732 24 O -1.2587103 0.0548879 -0.0582155 0.0498175 -1.8320857 0.4376876 -0.0062595 0.4060841 -2.2604732 25 O -2.0508761 0.2113868 -0.0130493 0.1957543 -2.0310943 0.0755331 0.0293906 0.0908203 -1.1941135 26 O -2.0508761 -0.2113868 -0.0130493 -0.1957543 -2.0310943 -0.0755331 0.0293906 -0.0908203 -1.1941135 27 O -2.0508761 0.2113868 -0.0130493 0.1957543 -2.0310943 0.0755331 0.0293906 0.0908203 -1.1941135 28 O -2.0508761 -0.2113868 -0.0130493 -0.1957543 -2.0310943 -0.0755331 0.0293906 -0.0908203 -1.1941135 29 O -2.1413984 -0.6185915 0.1108372 -0.6508478 -1.7128406 -0.1326930 0.0374849 -0.2474753 -1.5635779 30 O -2.1413984 0.6185915 0.1108372 0.6508478 -1.7128406 0.1326930 0.0374849 0.2474753 -1.5635779 31 O -2.1413984 -0.6185915 0.1108372 -0.6508478 -1.7128406 -0.1326930 0.0374849 -0.2474753 -1.5635779 32 O -2.1413984 0.6185915 0.1108372 0.6508478 -1.7128406 0.1326930 0.0374849 0.2474753 -1.5635779 33 As 3.6244472 -0.1125668 -0.2532141 0.2309047 3.4583951 -0.3252759 -0.0856644 0.1577605 3.0560397 34 As 3.6244472 0.1125668 -0.2532141 -0.2309047 3.4583951 0.3252759 -0.0856644 -0.1577605 3.0560397 35 As 3.6244472 -0.1125668 -0.2532141 0.2309047 3.4583951 -0.3252759 -0.0856644 0.1577605 3.0560397 36 As 3.6244472 0.1125668 -0.2532141 -0.2309047 3.4583951 0.3252759 -0.0856644 -0.1577605 3.0560397 37 As 3.1778462 -0.4345398 -0.2000813 -0.0511004 3.3776718 0.0570242 -0.1689915 -0.0427130 3.3856762 38 As 3.1778462 0.4345398 -0.2000813 0.0511004 3.3776718 -0.0570242 -0.1689915 0.0427130 3.3856762 39 As 3.1778462 -0.4345398 -0.2000813 -0.0511004 3.3776718 0.0570242 -0.1689915 -0.0427130 3.3856762 40 As 3.1778462 0.4345398 -0.2000813 0.0511004 3.3776718 -0.0570242 -0.1689915 0.0427130 3.3856762 41 Cd 2.5142789 0.1350822 -0.1170582 0.2412537 2.4656868 0.0748928 -0.1680443 -0.0687897 2.4450290 42 Cd 2.5142789 -0.1350822 -0.1170582 -0.2412537 2.4656868 -0.0748928 -0.1680443 0.0687897 2.4450290 43 Cd 2.5142789 0.1350822 -0.1170582 0.2412537 2.4656868 0.0748928 -0.1680443 -0.0687897 2.4450290 44 Cd 2.5142789 -0.1350822 -0.1170582 -0.2412537 2.4656868 -0.0748928 -0.1680443 0.0687897 2.4450290 45 Cd 2.5940474 -0.1078920 0.1493699 -0.0925361 1.9346878 -0.0261564 0.1458492 -0.0955025 2.7725307 46 Cd 2.5940474 0.1078920 0.1493699 0.0925361 1.9346878 0.0261564 0.1458492 0.0955025 2.7725307 47 Cd 2.5940474 -0.1078920 0.1493699 -0.0925361 1.9346878 -0.0261564 0.1458492 -0.0955025 2.7725307 48 Cd 2.5940474 0.1078920 0.1493699 0.0925361 1.9346878 0.0261564 0.1458492 0.0955025 2.7725307 49 Cd 2.4763650 -0.1698399 -0.0732183 -0.2052368 2.6492838 -0.1291489 -0.0808543 -0.1558075 2.4700019 50 Cd 2.4763650 0.1698399 -0.0732183 0.2052368 2.6492838 0.1291489 -0.0808543 0.1558075 2.4700019 51 Cd 2.4763650 -0.1698399 -0.0732183 -0.2052368 2.6492838 -0.1291489 -0.0808543 -0.1558075 2.4700019 52 Cd 2.4763650 0.1698399 -0.0732183 0.2052368 2.6492838 0.1291489 -0.0808543 0.1558075 2.4700019 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 4 8 ] 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: 0.46, Number of G-points: 295, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 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 1.039 ( 0.000 0.000 0.000) 0.000 1.250 ( 0.000 0.000 0.000) 0.000 1.355 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.521 ( 0.000 0.000 0.000) 0.000 1.602 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.819 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.041 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.536 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.696 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.453 ( 0.000 0.000 0.000) 0.000 6.699 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 6.952 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.181 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.340 ( 0.000 0.000 0.000) 0.000 7.489 ( 0.000 0.000 0.000) 0.000 7.788 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.028 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.495 ( 0.000 0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 8.780 ( 0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 8.913 ( 0.000 0.000 0.000) 0.000 8.921 ( 0.000 0.000 0.000) 0.000 9.479 ( 0.000 0.000 0.000) 0.000 9.713 ( 0.000 0.000 0.000) 0.000 9.815 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.176 ( 0.000 0.000 0.000) 0.000 10.301 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 0.000 0.000) 0.000 11.086 ( 0.000 0.000 0.000) 0.000 11.181 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.474 ( 0.000 0.000 0.000) 0.000 11.595 ( 0.000 0.000 0.000) 0.000 11.666 ( 0.000 0.000 0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 12.021 ( 0.000 0.000 0.000) 0.000 12.061 ( 0.000 0.000 0.000) 0.000 12.170 ( 0.000 0.000 0.000) 0.000 12.180 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.542 ( 0.000 0.000 0.000) 0.000 12.555 ( 0.000 0.000 0.000) 0.000 12.750 ( 0.000 0.000 0.000) 0.000 12.834 ( 0.000 0.000 0.000) 0.000 12.919 ( 0.000 0.000 0.000) 0.000 12.935 ( 0.000 0.000 0.000) 0.000 12.935 ( 0.000 0.000 0.000) 0.000 13.278 ( 0.000 0.000 0.000) 0.000 13.591 ( 0.000 0.000 0.000) 0.000 13.755 ( 0.000 0.000 0.000) 0.000 13.791 ( 0.000 0.000 0.000) 0.000 14.020 ( 0.000 0.000 0.000) 0.000 14.027 ( 0.000 0.000 0.000) 0.000 14.252 ( 0.000 0.000 0.000) 0.000 14.341 ( 0.000 0.000 0.000) 0.000 14.418 ( 0.000 0.000 0.000) 0.000 14.487 ( 0.000 0.000 0.000) 0.000 21.423 ( 0.000 0.000 0.000) 0.000 21.567 ( 0.000 0.000 0.000) 0.000 21.640 ( 0.000 0.000 0.000) 0.000 21.810 ( 0.000 0.000 0.000) 0.000 21.972 ( 0.000 0.000 0.000) 0.000 22.234 ( 0.000 0.000 0.000) 0.000 22.324 ( 0.000 0.000 0.000) 0.000 22.324 ( 0.000 0.000 0.000) 0.000 22.684 ( 0.000 0.000 0.000) 0.000 22.760 ( 0.000 0.000 0.000) 0.000 22.773 ( 0.000 0.000 0.000) 0.000 22.813 ( 0.000 0.000 0.000) 0.000 22.886 ( 0.000 0.000 0.000) 0.000 22.991 ( 0.000 0.000 0.000) 0.000 23.160 ( 0.000 0.000 0.000) 0.000 23.227 ( 0.000 0.000 0.000) 0.000 23.256 ( 0.000 0.000 0.000) 0.000 23.370 ( 0.000 0.000 0.000) 0.000 23.398 ( 0.000 0.000 0.000) 0.000 23.422 ( 0.000 0.000 0.000) 0.000 23.548 ( 0.000 0.000 0.000) 0.000 23.563 ( 0.000 0.000 0.000) 0.000 23.578 ( 0.000 0.000 0.000) 0.000 23.831 ( 0.000 0.000 0.000) 0.000 23.891 ( 0.000 0.000 0.000) 0.000 23.959 ( 0.000 0.000 0.000) 0.000 24.366 ( 0.000 0.000 0.000) 0.000 24.686 ( 0.000 0.000 0.000) 0.000 24.900 ( 0.000 0.000 0.000) 0.000 24.927 ( 0.000 0.000 0.000) 0.000 25.061 ( 0.000 0.000 0.000) 0.000 25.065 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 15.939 0.000 5.255) 16.783 0.407 ( 21.146 0.000 -13.037) 24.842 0.965 ( 40.640 0.000 1.921) 40.685 1.091 ( 2.563 0.000 -1.127) 2.800 1.239 ( 0.517 0.000 0.647) 0.828 1.352 ( -2.413 0.000 -3.516) 4.265 1.494 ( -1.766 0.000 -0.190) 1.776 1.525 ( 0.172 0.000 -1.820) 1.829 1.537 ( -1.911 0.000 -0.477) 1.969 1.682 ( -2.367 0.000 0.572) 2.435 1.725 ( -4.159 0.000 -3.313) 5.317 1.782 ( -1.617 0.000 -0.525) 1.700 1.796 ( 4.427 0.000 3.660) 5.744 1.851 ( -4.870 0.000 -0.236) 4.875 1.931 ( -0.989 0.000 3.552) 3.687 1.950 ( -2.299 0.000 1.103) 2.549 2.023 ( -5.385 0.000 2.265) 5.842 2.042 ( 1.173 0.000 -7.605) 7.695 2.101 ( 0.681 0.000 4.532) 4.583 2.174 ( 8.315 0.000 2.655) 8.728 2.229 ( 2.134 0.000 0.245) 2.148 2.275 ( 0.529 0.000 4.925) 4.954 2.380 ( -0.161 0.000 4.542) 4.545 2.498 ( 6.408 0.000 -3.774) 7.437 2.516 ( 2.962 0.000 -1.911) 3.525 2.582 ( 0.457 0.000 -1.725) 1.784 2.645 ( 5.123 0.000 3.195) 6.037 2.677 ( -2.878 0.000 -4.848) 5.638 2.785 ( 4.422 0.000 3.332) 5.537 2.791 ( -1.234 0.000 -1.062) 1.628 2.873 ( 1.830 0.000 0.088) 1.832 2.900 ( -0.405 0.000 2.611) 2.642 3.070 ( 8.512 0.000 0.664) 8.537 3.090 ( -3.485 0.000 -0.695) 3.553 3.213 ( -7.650 0.000 -4.272) 8.762 3.312 ( -1.494 0.000 -1.377) 2.031 3.329 ( 3.964 0.000 -5.991) 7.184 3.469 ( -3.333 0.000 -1.424) 3.625 3.489 ( -10.871 0.000 2.061) 11.064 3.667 ( 0.706 0.000 1.284) 1.465 3.698 ( -1.025 0.000 -2.451) 2.657 3.774 ( -2.838 0.000 4.767) 5.548 3.823 ( -1.758 0.000 -0.155) 1.765 3.953 ( -2.351 0.000 -2.170) 3.200 4.053 ( 0.414 0.000 -1.665) 1.715 4.082 ( 5.411 0.000 1.704) 5.673 4.160 ( -5.208 0.000 0.549) 5.237 4.165 ( 1.179 0.000 5.748) 5.867 4.371 ( -1.441 0.000 -0.240) 1.461 4.421 ( -0.001 0.000 -0.099) 0.099 4.474 ( -0.756 0.000 -1.470) 1.653 4.691 ( 1.632 0.000 -5.874) 6.096 4.694 ( 7.575 0.000 5.158) 9.165 4.839 ( 2.306 0.000 5.802) 6.244 4.947 ( 3.243 0.000 -1.017) 3.398 5.039 ( -6.312 0.000 5.809) 8.578 5.079 ( -5.400 0.000 0.006) 5.400 5.228 ( -5.300 0.000 0.123) 5.301 5.336 ( -0.323 0.000 -2.583) 2.603 5.348 ( -1.414 0.000 -3.328) 3.615 5.445 ( 0.546 0.000 2.734) 2.787 5.635 ( -0.803 0.000 -1.627) 1.815 5.686 ( -3.014 0.000 0.959) 3.163 5.806 ( -3.474 0.000 2.073) 4.046 5.809 ( 0.179 0.000 4.265) 4.269 5.848 ( 4.515 0.000 -3.977) 6.017 5.956 ( 2.068 0.000 -0.903) 2.257 6.174 ( 7.955 0.000 -6.035) 9.985 6.306 ( -0.374 0.000 -8.111) 8.120 6.414 ( -3.376 0.000 -0.147) 3.379 6.704 ( 0.361 0.000 0.348) 0.502 6.927 ( -1.270 0.000 5.892) 6.027 6.941 ( -2.079 0.000 -2.144) 2.987 7.002 ( 3.843 0.000 -0.776) 3.920 7.178 ( -0.481 0.000 2.441) 2.488 7.236 ( -0.426 0.000 -1.994) 2.039 7.366 ( 1.627 0.000 4.215) 4.518 7.492 ( 1.141 0.000 -5.205) 5.329 7.778 ( -0.986 0.000 0.687) 1.202 8.032 ( 0.314 0.000 -0.188) 0.366 8.046 ( 0.108 0.000 -3.072) 3.074 8.338 ( 1.109 0.000 -1.107) 1.567 8.503 ( 0.521 0.000 0.422) 0.671 8.659 ( -0.053 0.000 -0.021) 0.057 8.769 ( -0.914 0.000 0.261) 0.950 8.804 ( -1.639 0.000 0.140) 1.645 8.906 ( -1.010 0.000 1.746) 2.017 8.928 ( 0.499 0.000 0.312) 0.588 9.710 ( -0.958 0.000 5.782) 5.860 9.759 ( -0.383 0.000 0.146) 0.410 9.833 ( 1.319 0.000 0.457) 1.396 10.090 ( -1.649 0.000 1.941) 2.547 10.166 ( -0.817 0.000 -0.556) 0.988 10.299 ( -0.128 0.000 -0.325) 0.349 10.526 ( -2.398 0.000 0.390) 2.430 11.094 ( 0.548 0.000 -0.787) 0.959 11.198 ( 1.325 0.000 -0.071) 1.327 11.301 ( 1.966 0.000 -2.464) 3.153 11.454 ( -2.289 0.000 4.010) 4.617 11.540 ( -2.880 0.000 1.278) 3.151 11.753 ( 1.261 0.000 -0.275) 1.291 11.758 ( 4.939 0.000 1.477) 5.155 11.968 ( -4.869 0.000 -5.045) 7.012 12.049 ( -0.608 0.000 3.307) 3.362 12.164 ( -0.623 0.000 0.136) 0.638 12.188 ( 0.971 0.000 -0.962) 1.367 12.273 ( 2.935 0.000 5.277) 6.039 12.528 ( -2.608 0.000 -0.675) 2.694 12.574 ( -0.676 0.000 -3.953) 4.010 12.826 ( -1.102 0.000 -7.496) 7.576 12.836 ( 0.206 0.000 -0.243) 0.319 12.921 ( 0.268 0.000 -0.405) 0.486 13.014 ( 4.788 0.000 3.942) 6.202 13.271 ( 0.409 0.000 -2.528) 2.561 13.291 ( 0.787 0.000 0.359) 0.865 13.551 ( -3.807 0.000 0.851) 3.901 13.698 ( -5.849 0.000 1.905) 6.152 13.766 ( 0.910 0.000 -0.108) 0.917 14.129 ( 6.647 0.000 -2.170) 6.993 14.258 ( 0.576 0.000 -1.161) 1.296 14.346 ( 0.599 0.000 -2.012) 2.099 14.422 ( 0.239 0.000 1.283) 1.305 14.488 ( -0.013 0.000 0.555) 0.555 14.582 ( 4.554 0.000 -14.502) 15.200 21.427 ( 0.323 0.000 0.052) 0.327 21.560 ( -0.273 0.000 -0.590) 0.650 21.699 ( 4.683 0.000 1.472) 4.909 21.854 ( 0.186 0.000 1.276) 1.290 21.967 ( -0.590 0.000 0.227) 0.632 22.217 ( -1.276 0.000 -0.117) 1.282 22.317 ( -0.813 0.000 -1.763) 1.941 22.685 ( 0.442 0.000 0.228) 0.497 22.736 ( -3.106 0.000 -4.328) 5.327 22.781 ( -0.444 0.000 0.391) 0.592 22.783 ( 1.384 0.000 12.013) 12.092 22.926 ( 1.635 0.000 3.870) 4.201 22.992 ( -0.051 0.000 1.065) 1.066 23.105 ( -2.635 0.000 -2.917) 3.931 23.229 ( -0.628 0.000 -3.333) 3.392 23.269 ( -4.427 0.000 0.342) 4.440 23.282 ( 1.535 0.000 -11.331) 11.435 23.334 ( -0.405 0.000 1.423) 1.479 23.438 ( 0.484 0.000 0.437) 0.652 23.500 ( 2.409 0.000 -16.759) 16.932 23.539 ( -1.166 0.000 -1.100) 1.603 23.552 ( -1.215 0.000 3.175) 3.400 23.659 ( -4.966 0.000 4.066) 6.418 23.944 ( -8.458 0.000 13.780) 16.168 23.959 ( -0.115 0.000 1.417) 1.421 24.095 ( 8.837 0.000 -2.396) 9.156 24.469 ( 6.564 0.000 2.387) 6.984 24.709 ( 1.949 0.000 0.220) 1.961 24.913 ( -1.088 0.000 0.120) 1.095 24.926 ( -0.104 0.000 -0.198) 0.224 25.033 ( -2.268 0.000 -1.326) 2.627 25.303 ( 0.803 0.000 0.959) 1.251 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 9.058 0.000 2.139) 9.307 0.810 ( 18.011 0.000 -10.293) 20.744 1.053 ( -3.758 0.000 -0.122) 3.760 1.179 ( -7.823 0.000 4.456) 9.003 1.321 ( 4.008 0.000 -0.581) 4.050 1.340 ( -7.801 0.000 1.056) 7.872 1.521 ( 0.967 0.000 0.686) 1.185 1.527 ( -0.810 0.000 -0.251) 0.848 1.632 ( -3.459 0.000 -0.161) 3.463 1.638 ( 5.431 0.000 -7.708) 9.429 1.718 ( -1.693 0.000 -1.740) 2.428 1.786 ( -1.386 0.000 0.655) 1.533 1.802 ( 9.980 0.000 9.604) 13.850 1.841 ( 4.870 0.000 -6.571) 8.179 1.891 ( -4.362 0.000 -0.424) 4.382 1.925 ( 3.337 0.000 3.570) 4.887 1.947 ( 1.235 0.000 0.992) 1.584 2.074 ( 1.808 0.000 -2.259) 2.894 2.155 ( -1.675 0.000 3.970) 4.309 2.258 ( 4.839 0.000 0.162) 4.842 2.320 ( 1.070 0.000 5.070) 5.181 2.415 ( 7.630 0.000 5.987) 9.698 2.467 ( -4.621 0.000 -4.521) 6.465 2.496 ( 10.771 0.000 3.358) 11.282 2.547 ( -0.477 0.000 -1.533) 1.606 2.636 ( 4.253 0.000 -4.354) 6.086 2.643 ( 1.293 0.000 0.581) 1.418 2.715 ( -2.482 0.000 -0.862) 2.627 2.766 ( 2.492 0.000 1.298) 2.809 2.822 ( -9.518 0.000 -2.149) 9.757 2.907 ( -1.521 0.000 1.201) 1.938 2.957 ( -5.837 0.000 1.192) 5.958 2.989 ( 5.936 0.000 0.148) 5.938 3.001 ( -3.343 0.000 -3.660) 4.957 3.193 ( 0.337 0.000 -2.391) 2.415 3.200 ( -7.790 0.000 -0.284) 7.795 3.329 ( 5.014 0.000 1.264) 5.171 3.450 ( -0.424 0.000 -3.415) 3.441 3.470 ( 3.457 0.000 -1.736) 3.868 3.669 ( -1.265 0.000 0.395) 1.325 3.683 ( -5.715 0.000 2.601) 6.279 3.723 ( -2.234 0.000 2.280) 3.192 3.734 ( 4.603 0.000 1.590) 4.870 3.867 ( -3.609 0.000 -0.342) 3.625 3.972 ( -8.962 0.000 -0.316) 8.967 4.043 ( -0.614 0.000 -1.059) 1.224 4.146 ( -2.005 0.000 0.525) 2.072 4.309 ( 9.648 0.000 -1.817) 9.817 4.369 ( 0.487 0.000 -0.055) 0.490 4.418 ( -1.239 0.000 0.426) 1.310 4.434 ( -1.416 0.000 -1.150) 1.824 4.745 ( 4.201 0.000 -4.538) 6.184 4.837 ( 3.524 0.000 4.826) 5.976 4.891 ( -3.072 0.000 8.337) 8.886 4.971 ( -1.405 0.000 -3.743) 3.998 4.999 ( 1.278 0.000 2.501) 2.808 5.007 ( 1.685 0.000 -0.402) 1.732 5.099 ( -5.206 0.000 -1.310) 5.368 5.296 ( -1.819 0.000 -1.303) 2.237 5.306 ( -0.700 0.000 -1.541) 1.692 5.478 ( 1.046 0.000 0.808) 1.321 5.603 ( -1.116 0.000 -0.220) 1.137 5.647 ( -0.697 0.000 0.450) 0.830 5.711 ( -3.184 0.000 -0.529) 3.227 5.862 ( 2.680 0.000 2.040) 3.368 5.962 ( 3.906 0.000 -0.800) 3.987 5.967 ( -0.816 0.000 -0.274) 0.861 6.230 ( -0.979 0.000 -3.107) 3.258 6.321 ( 2.609 0.000 -0.329) 2.630 6.336 ( -2.675 0.000 -0.307) 2.692 6.714 ( 0.305 0.000 0.225) 0.379 6.894 ( -1.280 0.000 -0.981) 1.612 6.917 ( -0.568 0.000 1.545) 1.646 7.069 ( 1.869 0.000 -0.510) 1.938 7.181 ( 0.064 0.000 2.097) 2.098 7.216 ( -0.625 0.000 -1.794) 1.900 7.426 ( 2.194 0.000 3.204) 3.883 7.499 ( 0.514 0.000 -4.101) 4.133 7.757 ( -0.804 0.000 0.392) 0.895 8.036 ( 0.064 0.000 -0.077) 0.100 8.041 ( -0.070 0.000 -0.510) 0.515 8.356 ( 0.656 0.000 -0.720) 0.974 8.512 ( 0.174 0.000 0.324) 0.368 8.650 ( -0.611 0.000 -0.006) 0.611 8.753 ( -0.296 0.000 -0.525) 0.603 8.774 ( -0.963 0.000 0.766) 1.231 8.893 ( -0.464 0.000 0.795) 0.921 8.940 ( 0.390 0.000 0.209) 0.442 9.713 ( -0.326 0.000 5.053) 5.064 9.744 ( -0.218 0.000 -4.115) 4.121 9.859 ( 0.637 0.000 0.335) 0.719 10.063 ( -0.913 0.000 0.609) 1.098 10.147 ( -0.472 0.000 -0.451) 0.653 10.296 ( -0.077 0.000 -0.141) 0.161 10.485 ( -1.129 0.000 0.193) 1.145 11.096 ( -0.148 0.000 -0.155) 0.214 11.224 ( 0.811 0.000 -0.039) 0.812 11.350 ( 3.406 0.000 -4.951) 6.009 11.407 ( -3.340 0.000 5.615) 6.533 11.501 ( -0.918 0.000 0.368) 0.989 11.794 ( 2.451 0.000 0.552) 2.512 11.849 ( 2.549 0.000 -0.092) 2.551 11.863 ( -3.596 0.000 -2.852) 4.590 12.052 ( 0.188 0.000 1.169) 1.184 12.145 ( -0.896 0.000 -0.068) 0.898 12.206 ( 0.646 0.000 -0.249) 0.692 12.324 ( 0.816 0.000 1.961) 2.124 12.471 ( -1.640 0.000 -0.665) 1.770 12.558 ( -0.290 0.000 -0.460) 0.544 12.788 ( -0.792 0.000 -1.914) 2.071 12.839 ( 0.070 0.000 -0.112) 0.132 12.928 ( 0.367 0.000 -0.307) 0.478 13.118 ( 2.996 0.000 2.581) 3.954 13.271 ( 0.013 0.000 -0.321) 0.322 13.301 ( 0.021 0.000 0.344) 0.345 13.471 ( -2.559 0.000 -1.324) 2.881 13.612 ( -2.104 0.000 0.721) 2.224 13.784 ( 0.504 0.000 -0.001) 0.504 14.234 ( 2.945 0.000 -0.325) 2.963 14.263 ( 0.067 0.000 -1.483) 1.485 14.351 ( 0.244 0.000 -1.016) 1.044 14.433 ( 0.232 0.000 0.903) 0.933 14.490 ( 0.054 0.000 0.362) 0.366 14.629 ( 1.835 0.000 -2.838) 3.380 21.434 ( 0.202 0.000 0.033) 0.205 21.555 ( -0.040 0.000 -0.244) 0.247 21.827 ( 5.898 0.000 1.456) 6.075 21.861 ( 0.216 0.000 0.102) 0.239 21.938 ( -2.480 0.000 0.002) 2.480 22.194 ( -0.656 0.000 0.050) 0.658 22.267 ( -2.391 0.000 -2.183) 3.238 22.700 ( 1.111 0.000 -2.091) 2.368 22.701 ( 0.591 0.000 0.381) 0.704 22.763 ( -1.792 0.000 1.733) 2.493 22.838 ( 0.887 0.000 3.979) 4.077 22.967 ( 1.404 0.000 0.782) 1.607 22.995 ( 0.005 0.000 0.674) 0.674 23.058 ( -0.984 0.000 -1.041) 1.433 23.114 ( -5.727 0.000 -0.739) 5.775 23.186 ( -1.100 0.000 -2.789) 2.998 23.311 ( 1.679 0.000 -2.225) 2.787 23.354 ( 0.361 0.000 1.822) 1.858 23.436 ( -0.236 0.000 0.261) 0.353 23.494 ( 0.410 0.000 -6.931) 6.943 23.512 ( -0.728 0.000 0.562) 0.919 23.542 ( -0.533 0.000 2.930) 2.978 23.636 ( 0.219 0.000 -0.070) 0.230 23.835 ( -3.328 0.000 3.343) 4.718 23.960 ( -0.061 0.000 0.783) 0.785 24.218 ( 2.964 0.000 -0.701) 3.045 24.591 ( 3.269 0.000 0.860) 3.381 24.754 ( 1.545 0.000 0.164) 1.554 24.907 ( 0.890 0.000 0.581) 1.063 24.918 ( -0.460 0.000 -0.151) 0.485 24.967 ( -3.025 0.000 -1.264) 3.279 25.319 ( 0.367 0.000 0.498) 0.618 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 0.000 18.079 0.000) 18.079 0.484 ( 0.000 22.281 0.000) 22.281 0.637 ( 0.000 27.828 0.000) 27.828 0.995 ( 0.000 -7.302 0.000) 7.302 1.203 ( 0.000 -8.436 0.000) 8.436 1.289 ( 0.000 2.623 0.000) 2.623 1.463 ( 0.000 -6.359 0.000) 6.359 1.561 ( 0.000 -1.935 0.000) 1.935 1.590 ( 0.000 3.412 0.000) 3.412 1.707 ( 0.000 -7.121 0.000) 7.121 1.747 ( 0.000 1.347 0.000) 1.347 1.786 ( 0.000 0.062 0.000) 0.062 1.816 ( 0.000 -1.296 0.000) 1.296 1.891 ( 0.000 6.613 0.000) 6.613 1.941 ( 0.000 0.558 0.000) 0.558 1.994 ( 0.000 -4.613 0.000) 4.613 2.046 ( 0.000 4.620 0.000) 4.620 2.072 ( 0.000 -5.730 0.000) 5.730 2.092 ( 0.000 2.900 0.000) 2.900 2.236 ( 0.000 10.716 0.000) 10.716 2.301 ( 0.000 -7.845 0.000) 7.845 2.306 ( 0.000 5.478 0.000) 5.478 2.324 ( 0.000 1.141 0.000) 1.141 2.345 ( 0.000 -5.180 0.000) 5.180 2.404 ( 0.000 -0.277 0.000) 0.277 2.542 ( 0.000 -1.360 0.000) 1.360 2.547 ( 0.000 1.505 0.000) 1.505 2.727 ( 0.000 -4.323 0.000) 4.323 2.768 ( 0.000 2.783 0.000) 2.783 2.813 ( 0.000 1.152 0.000) 1.152 2.893 ( 0.000 0.197 0.000) 0.197 2.915 ( 0.000 3.307 0.000) 3.307 2.982 ( 0.000 -1.153 0.000) 1.153 3.203 ( 0.000 -3.470 0.000) 3.470 3.226 ( 0.000 3.302 0.000) 3.302 3.289 ( 0.000 3.177 0.000) 3.177 3.462 ( 0.000 -0.104 0.000) 0.104 3.597 ( 0.000 -3.771 0.000) 3.771 3.616 ( 0.000 -1.765 0.000) 1.765 3.618 ( 0.000 -7.070 0.000) 7.070 3.686 ( 0.000 -2.932 0.000) 2.932 3.693 ( 0.000 -2.966 0.000) 2.966 3.803 ( 0.000 1.600 0.000) 1.600 3.914 ( 0.000 -1.969 0.000) 1.969 3.957 ( 0.000 6.995 0.000) 6.995 4.096 ( 0.000 0.324 0.000) 0.324 4.105 ( 0.000 1.524 0.000) 1.524 4.251 ( 0.000 -1.894 0.000) 1.894 4.349 ( 0.000 -4.859 0.000) 4.859 4.362 ( 0.000 -1.887 0.000) 1.887 4.566 ( 0.000 0.146 0.000) 0.146 4.592 ( 0.000 5.491 0.000) 5.491 4.702 ( 0.000 0.465 0.000) 0.465 4.758 ( 0.000 -0.099 0.000) 0.099 4.887 ( 0.000 -1.944 0.000) 1.944 4.973 ( 0.000 -6.924 0.000) 6.924 5.250 ( 0.000 6.630 0.000) 6.630 5.287 ( 0.000 -0.791 0.000) 0.791 5.367 ( 0.000 2.075 0.000) 2.075 5.372 ( 0.000 3.225 0.000) 3.225 5.534 ( 0.000 -2.451 0.000) 2.451 5.579 ( 0.000 0.240 0.000) 0.240 5.594 ( 0.000 -0.196 0.000) 0.196 5.753 ( 0.000 -0.377 0.000) 0.377 5.759 ( 0.000 0.831 0.000) 0.831 5.807 ( 0.000 -7.314 0.000) 7.314 5.874 ( 0.000 3.880 0.000) 3.880 5.947 ( 0.000 0.005 0.000) 0.005 6.172 ( 0.000 8.564 0.000) 8.564 6.467 ( 0.000 -3.115 0.000) 3.115 6.750 ( 0.000 4.650 0.000) 4.650 6.891 ( 0.000 -0.741 0.000) 0.741 6.934 ( 0.000 -1.514 0.000) 1.514 6.945 ( 0.000 -2.120 0.000) 2.120 7.158 ( 0.000 -2.923 0.000) 2.923 7.200 ( 0.000 0.852 0.000) 0.852 7.440 ( 0.000 3.009 0.000) 3.009 7.468 ( 0.000 -4.205 0.000) 4.205 7.855 ( 0.000 7.236 0.000) 7.236 8.000 ( 0.000 1.396 0.000) 1.396 8.034 ( 0.000 -1.272 0.000) 1.272 8.268 ( 0.000 -5.763 0.000) 5.763 8.517 ( 0.000 2.122 0.000) 2.122 8.633 ( 0.000 -2.263 0.000) 2.263 8.823 ( 0.000 0.148 0.000) 0.148 8.854 ( 0.000 -0.096 0.000) 0.096 8.909 ( 0.000 -0.883 0.000) 0.883 8.910 ( 0.000 -0.283 0.000) 0.283 9.514 ( 0.000 3.087 0.000) 3.087 9.670 ( 0.000 -3.391 0.000) 3.391 9.877 ( 0.000 4.040 0.000) 4.040 10.058 ( 0.000 -3.527 0.000) 3.527 10.205 ( 0.000 2.107 0.000) 2.107 10.290 ( 0.000 -1.245 0.000) 1.245 10.647 ( 0.000 7.940 0.000) 7.940 11.043 ( 0.000 -5.178 0.000) 5.178 11.195 ( 0.000 1.387 0.000) 1.387 11.286 ( 0.000 0.076 0.000) 0.076 11.385 ( 0.000 -5.145 0.000) 5.145 11.519 ( 0.000 -6.008 0.000) 6.008 11.737 ( 0.000 5.587 0.000) 5.587 11.908 ( 0.000 0.308 0.000) 0.308 12.019 ( 0.000 -0.166 0.000) 0.166 12.106 ( 0.000 -5.106 0.000) 5.106 12.174 ( 0.000 0.146 0.000) 0.146 12.192 ( 0.000 -0.580 0.000) 0.580 12.552 ( 0.000 4.080 0.000) 4.080 12.631 ( 0.000 7.068 0.000) 7.068 12.632 ( 0.000 5.039 0.000) 5.039 12.736 ( 0.000 -1.720 0.000) 1.720 12.855 ( 0.000 -3.666 0.000) 3.666 12.918 ( 0.000 -1.894 0.000) 1.894 12.964 ( 0.000 0.955 0.000) 0.955 13.014 ( 0.000 -1.689 0.000) 1.689 13.593 ( 0.000 0.370 0.000) 0.370 13.675 ( 0.000 -3.395 0.000) 3.395 13.774 ( 0.000 0.933 0.000) 0.933 13.793 ( 0.000 0.065 0.000) 0.065 14.024 ( 0.000 0.438 0.000) 0.438 14.053 ( 0.000 -0.539 0.000) 0.539 14.267 ( 0.000 1.296 0.000) 1.296 14.329 ( 0.000 -1.113 0.000) 1.113 14.441 ( 0.000 1.475 0.000) 1.475 14.485 ( 0.000 -0.320 0.000) 0.320 21.443 ( 0.000 1.851 0.000) 1.851 21.544 ( 0.000 -2.045 0.000) 2.045 21.823 ( 0.000 1.205 0.000) 1.205 21.902 ( 0.000 -2.135 0.000) 2.135 22.262 ( 0.000 2.096 0.000) 2.096 22.314 ( 0.000 -0.443 0.000) 0.443 22.350 ( 0.000 1.840 0.000) 1.840 22.429 ( 0.000 -1.107 0.000) 1.107 22.685 ( 0.000 0.260 0.000) 0.260 22.744 ( 0.000 -1.501 0.000) 1.501 22.812 ( 0.000 0.338 0.000) 0.338 22.868 ( 0.000 -1.543 0.000) 1.543 23.026 ( 0.000 2.865 0.000) 2.865 23.163 ( 0.000 -3.537 0.000) 3.537 23.169 ( 0.000 1.508 0.000) 1.508 23.295 ( 0.000 -3.798 0.000) 3.798 23.322 ( 0.000 3.022 0.000) 3.022 23.414 ( 0.000 -0.933 0.000) 0.933 23.456 ( 0.000 2.696 0.000) 2.696 23.490 ( 0.000 0.032 0.000) 0.032 23.567 ( 0.000 0.169 0.000) 0.169 23.568 ( 0.000 -0.637 0.000) 0.637 23.849 ( 0.000 1.547 0.000) 1.547 23.893 ( 0.000 0.613 0.000) 0.613 23.947 ( 0.000 -1.110 0.000) 1.110 23.955 ( 0.000 -2.791 0.000) 2.791 24.423 ( 0.000 4.887 0.000) 4.887 24.643 ( 0.000 -3.902 0.000) 3.902 24.915 ( 0.000 1.360 0.000) 1.360 25.003 ( 0.000 -2.562 0.000) 2.562 25.075 ( 0.000 0.839 0.000) 0.839 25.086 ( 0.000 0.850 0.000) 0.850 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 13.198 12.964 -7.762) 20.063 0.589 ( 14.536 13.485 -2.167) 19.946 1.049 ( 7.170 -4.984 -1.339) 8.834 1.119 ( 18.087 5.348 -1.898) 18.957 1.230 ( 3.140 1.229 -0.192) 3.377 1.274 ( 4.349 -0.300 -0.846) 4.441 1.479 ( -2.564 -0.609 0.674) 2.721 1.508 ( -2.893 -0.347 1.218) 3.158 1.604 ( 2.445 -2.459 -4.782) 5.907 1.678 ( -3.303 5.721 -0.395) 6.618 1.740 ( -0.758 -0.562 0.251) 0.976 1.759 ( -1.874 -5.581 3.257) 6.728 1.858 ( -0.537 -0.392 -3.117) 3.187 1.889 ( 0.633 8.168 1.481) 8.325 1.898 ( 1.385 1.597 4.406) 4.887 1.983 ( -1.283 0.520 -5.540) 5.711 2.030 ( -1.888 0.968 -0.077) 2.123 2.050 ( -3.931 1.772 5.939) 7.340 2.098 ( 2.948 -2.996 -2.270) 4.777 2.210 ( -2.478 3.555 4.346) 6.137 2.241 ( 3.619 0.661 -0.492) 3.711 2.271 ( -0.274 -4.452 0.266) 4.468 2.337 ( 0.442 0.494 5.192) 5.234 2.455 ( 6.210 -3.417 -3.434) 7.876 2.490 ( 1.870 -3.278 0.415) 3.796 2.566 ( 3.338 2.638 -1.297) 4.448 2.656 ( 2.811 -0.022 2.634) 3.852 2.694 ( 1.347 -1.340 -0.255) 1.917 2.755 ( -0.617 -0.934 0.404) 1.190 2.840 ( 2.602 4.155 2.237) 5.389 2.896 ( -1.600 -0.139 1.454) 2.166 2.920 ( -1.764 1.130 1.157) 2.393 2.974 ( 1.338 -2.864 -1.636) 3.559 3.112 ( -2.553 2.151 -5.056) 6.059 3.206 ( -2.939 -2.507 -2.587) 4.649 3.297 ( 1.836 -1.114 -2.079) 2.989 3.440 ( -3.953 5.269 0.469) 6.604 3.488 ( -4.401 2.314 -1.569) 5.213 3.502 ( -3.578 2.315 -0.017) 4.261 3.584 ( -1.619 -4.319 0.816) 4.684 3.677 ( -0.145 -4.954 -0.140) 4.958 3.742 ( -0.572 -2.768 0.913) 2.970 3.872 ( -0.279 4.472 -2.012) 4.912 3.924 ( -1.696 -5.745 5.250) 7.965 4.021 ( 1.841 -3.107 -0.844) 3.708 4.072 ( 4.600 0.070 -3.107) 5.552 4.109 ( 1.301 4.915 1.435) 5.283 4.268 ( -4.728 2.921 2.659) 6.161 4.376 ( 2.706 -2.580 -0.477) 3.769 4.424 ( 2.935 3.080 1.090) 4.392 4.484 ( -3.102 0.962 0.119) 3.250 4.580 ( -1.170 -5.165 -1.438) 5.487 4.709 ( 3.952 -1.475 1.015) 4.339 4.793 ( 2.597 -2.138 4.665) 5.751 4.875 ( -2.768 -6.144 -0.562) 6.762 5.039 ( -1.536 -4.374 -2.151) 5.110 5.159 ( 1.697 6.796 1.831) 7.240 5.255 ( -7.567 2.023 0.883) 7.882 5.352 ( -0.532 0.995 0.131) 1.136 5.381 ( -2.548 1.648 -0.724) 3.120 5.439 ( -1.728 4.937 -0.858) 5.301 5.554 ( -0.966 -4.248 -2.194) 4.877 5.709 ( -1.539 -0.559 0.403) 1.687 5.733 ( -0.150 -5.862 2.136) 6.241 5.840 ( 2.272 0.798 2.261) 3.303 5.854 ( 2.667 0.945 0.798) 2.940 5.963 ( 2.597 0.077 -1.797) 3.160 6.030 ( 12.003 -9.158 -6.111) 16.288 6.247 ( 3.885 3.195 0.379) 5.045 6.429 ( -3.292 -2.556 -0.511) 4.199 6.747 ( 0.048 4.348 0.962) 4.453 6.885 ( -1.239 -1.884 2.137) 3.107 6.924 ( -1.242 -1.287 -1.247) 2.181 6.973 ( 3.394 -1.983 -1.879) 4.357 7.149 ( -0.800 -1.789 2.017) 2.812 7.208 ( 0.744 -0.376 -1.078) 1.363 7.430 ( 0.174 1.485 2.123) 2.596 7.505 ( 2.979 0.043 -4.710) 5.573 7.837 ( -1.522 6.691 0.306) 6.869 8.010 ( 0.957 -0.913 -0.333) 1.364 8.052 ( 0.558 0.386 -0.750) 1.012 8.277 ( 0.799 -5.947 -0.749) 6.047 8.523 ( 0.441 1.926 0.160) 1.982 8.632 ( 0.078 -2.360 -0.937) 2.541 8.799 ( -1.897 1.368 2.145) 3.173 8.826 ( -1.689 1.371 -0.962) 2.379 8.906 ( -0.584 -0.070 1.470) 1.584 8.916 ( 0.606 -0.801 0.351) 1.064 9.636 ( 5.433 -3.851 1.800) 6.899 9.680 ( 0.247 -2.466 3.371) 4.184 9.887 ( 0.858 3.589 -0.560) 3.732 10.048 ( -0.809 -3.163 -0.042) 3.265 10.196 ( -0.842 2.056 -0.266) 2.237 10.282 ( -0.507 -1.489 -0.805) 1.767 10.618 ( -2.192 8.200 0.468) 8.501 11.016 ( -1.916 -6.569 0.413) 6.855 11.241 ( 3.683 2.021 -2.213) 4.749 11.297 ( 0.682 0.684 -0.750) 1.223 11.363 ( -2.347 -5.619 3.827) 7.192 11.494 ( -1.169 -4.430 0.308) 4.592 11.760 ( 2.029 3.897 -2.141) 4.887 11.863 ( -2.247 3.171 -0.024) 3.886 11.979 ( -2.352 -0.345 -4.953) 5.494 12.087 ( -1.427 -5.690 3.180) 6.673 12.131 ( -2.408 2.132 1.735) 3.654 12.176 ( -0.094 -0.563 -1.621) 1.719 12.464 ( -1.099 14.811 4.408) 15.492 12.575 ( -3.814 3.505 -1.434) 5.374 12.641 ( 0.012 5.183 -0.669) 5.226 12.722 ( -1.822 -3.108 -2.768) 4.543 12.867 ( 1.011 -3.561 0.349) 3.718 12.951 ( 0.040 3.554 -2.150) 4.154 13.003 ( 4.600 -2.195 3.035) 5.932 13.085 ( 2.868 -7.611 0.633) 8.158 13.473 ( -6.279 7.196 -3.225) 10.080 13.568 ( -3.245 1.691 2.928) 4.686 13.672 ( -6.240 -2.462 -0.719) 6.746 13.716 ( 0.010 -3.902 1.249) 4.097 14.145 ( 6.612 1.330 -1.885) 7.003 14.224 ( 1.799 -2.574 -1.065) 3.317 14.359 ( 3.344 1.442 -1.842) 4.081 14.436 ( 2.613 0.719 -0.251) 2.722 14.478 ( 4.232 -2.633 -1.389) 5.174 14.492 ( 5.000 -2.364 -2.106) 5.918 21.446 ( 0.229 1.834 -0.011) 1.848 21.545 ( -0.056 -1.829 0.037) 1.830 21.780 ( -2.143 3.068 -1.283) 3.956 21.876 ( -0.976 -1.045 -0.174) 1.440 22.063 ( -4.140 9.065 -0.179) 9.968 22.228 ( -2.009 0.287 -0.473) 2.084 22.344 ( -0.749 2.858 -0.854) 3.075 22.613 ( 1.830 -9.325 3.744) 10.214 22.689 ( 0.722 0.130 -0.950) 1.200 22.729 ( -1.677 -0.826 -2.983) 3.521 22.813 ( 0.746 1.746 4.316) 4.715 22.898 ( 1.389 -2.149 5.098) 5.705 23.058 ( 1.355 3.330 0.453) 3.623 23.102 ( -2.073 0.089 -3.498) 4.067 23.206 ( -1.145 -1.247 -1.531) 2.283 23.251 ( -2.057 -1.985 1.473) 3.216 23.318 ( -1.493 2.189 1.323) 2.962 23.388 ( -0.209 3.818 -9.867) 10.582 23.422 ( -1.081 -1.359 0.513) 1.811 23.490 ( 2.251 -1.041 -13.799) 14.020 23.540 ( -0.566 0.768 0.785) 1.236 23.568 ( -0.559 0.742 -0.420) 1.020 23.685 ( -5.975 2.151 6.492) 9.081 23.836 ( -5.580 -5.553 11.409) 13.862 24.006 ( -0.501 1.523 1.299) 2.063 24.076 ( 7.380 -1.628 -2.198) 7.870 24.501 ( 5.473 3.172 1.518) 6.505 24.673 ( 2.143 -3.327 0.330) 3.972 24.922 ( -0.198 1.094 -0.151) 1.122 24.964 ( -1.030 1.265 -0.280) 1.655 25.037 ( -1.498 1.588 -0.847) 2.341 25.213 ( 4.096 -5.619 0.929) 7.016 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 14.320 6.302 -7.042) 17.157 0.863 ( 7.933 10.659 -0.096) 13.288 1.162 ( 1.883 -4.735 -2.177) 5.541 1.172 ( -0.336 -3.787 5.828) 6.959 1.190 ( -2.524 10.037 -1.104) 10.408 1.396 ( -0.590 -0.082 -0.000) 0.596 1.460 ( -3.105 -2.834 0.621) 4.250 1.519 ( -2.102 -0.128 1.759) 2.744 1.595 ( -5.467 -6.289 -5.051) 9.744 1.620 ( -1.144 -1.166 -1.507) 2.223 1.728 ( 2.702 -0.192 -1.762) 3.232 1.779 ( 4.252 0.699 -3.815) 5.755 1.826 ( -0.921 6.522 0.617) 6.616 1.869 ( -0.701 3.292 3.075) 4.559 1.937 ( -2.405 0.370 3.903) 4.599 1.988 ( 7.320 3.089 1.408) 8.068 2.032 ( 1.554 -3.077 -1.223) 3.658 2.090 ( 4.067 10.026 0.598) 10.836 2.175 ( -1.431 1.280 0.157) 1.926 2.186 ( 1.604 -3.931 1.837) 4.626 2.276 ( 2.197 -4.051 0.949) 4.705 2.389 ( 5.279 -0.693 3.969) 6.641 2.428 ( 5.444 -3.499 0.606) 6.500 2.479 ( -1.351 -2.689 0.759) 3.103 2.536 ( 1.547 0.256 -2.015) 2.553 2.581 ( 3.924 -1.557 -1.258) 4.405 2.681 ( -2.082 -0.293 -1.737) 2.727 2.714 ( -1.891 1.243 0.914) 2.440 2.811 ( 3.382 -5.190 2.111) 6.545 2.835 ( -2.872 2.250 -0.847) 3.746 2.863 ( -2.668 -2.828 -1.022) 4.020 2.912 ( 2.185 0.895 1.370) 2.730 2.995 ( -6.519 2.438 1.607) 7.143 3.021 ( -0.820 -3.714 -2.220) 4.404 3.114 ( -0.113 -0.059 -1.807) 1.811 3.274 ( -2.070 -0.774 0.351) 2.238 3.385 ( -1.765 8.426 -2.936) 9.096 3.438 ( 1.457 0.695 -0.282) 1.638 3.528 ( 3.647 4.474 -2.380) 6.244 3.571 ( -0.512 -4.964 1.458) 5.199 3.677 ( -0.820 0.963 2.236) 2.569 3.736 ( -0.782 0.627 0.366) 1.067 3.811 ( -2.070 -1.484 3.421) 4.265 3.887 ( -1.119 -0.657 -1.433) 1.933 3.967 ( -3.670 5.805 -1.696) 7.074 4.085 ( -1.776 3.469 0.044) 3.897 4.181 ( -0.949 -0.115 0.134) 0.965 4.274 ( 7.257 -1.349 -2.465) 7.783 4.359 ( -2.223 0.116 1.122) 2.493 4.408 ( -2.797 -0.149 0.154) 2.805 4.473 ( 0.255 0.265 -0.499) 0.620 4.635 ( 5.059 -7.643 0.321) 9.171 4.762 ( -3.918 -5.723 1.293) 7.055 4.844 ( 4.316 -3.020 1.443) 5.462 4.876 ( 2.045 -4.184 3.859) 6.048 4.964 ( -2.604 -1.245 -2.148) 3.598 5.097 ( -5.969 0.623 -1.008) 6.085 5.243 ( 3.411 3.541 -0.281) 4.924 5.308 ( -2.724 3.109 -0.413) 4.154 5.338 ( -0.186 1.881 -0.874) 2.082 5.402 ( -1.314 4.957 0.546) 5.157 5.520 ( -1.217 -4.676 -1.591) 5.087 5.668 ( -0.962 -1.376 -0.103) 1.682 5.734 ( -0.304 -0.010 1.449) 1.481 5.879 ( 1.083 0.944 2.583) 2.956 5.951 ( 3.247 -1.498 0.357) 3.594 5.995 ( 1.053 2.351 -1.162) 2.826 6.153 ( 1.556 -5.724 -2.015) 6.264 6.302 ( 1.806 -0.813 -1.038) 2.236 6.345 ( -3.337 -1.155 -0.210) 3.537 6.763 ( 0.828 4.476 0.648) 4.597 6.869 ( -0.344 -2.361 1.697) 2.928 6.888 ( -1.448 -1.245 -1.414) 2.377 7.026 ( 1.237 -4.098 -0.632) 4.327 7.162 ( 1.638 -0.317 1.392) 2.173 7.203 ( -1.083 -0.255 -0.951) 1.464 7.458 ( 1.211 1.807 0.354) 2.204 7.547 ( 1.478 1.331 -2.126) 2.912 7.808 ( -0.922 6.188 0.287) 6.263 8.025 ( 0.481 -1.280 -0.446) 1.438 8.052 ( -0.190 1.506 0.136) 1.524 8.288 ( 0.328 -6.354 -0.520) 6.384 8.532 ( 0.257 1.778 0.182) 1.806 8.631 ( -0.011 -1.980 -0.654) 2.085 8.772 ( -0.912 1.512 1.059) 2.059 8.788 ( -1.186 1.256 -0.111) 1.731 8.902 ( -0.143 0.598 0.668) 0.908 8.930 ( 0.416 -0.803 0.207) 0.927 9.695 ( 0.060 -1.420 3.712) 3.975 9.699 ( 1.071 -2.613 -1.762) 3.328 9.901 ( 0.443 3.129 -0.324) 3.177 10.032 ( -0.446 -2.485 -0.090) 2.526 10.175 ( -0.645 2.152 -0.266) 2.262 10.271 ( -0.253 -1.940 -0.259) 1.973 10.580 ( -1.061 8.245 0.205) 8.316 10.983 ( -0.930 -8.185 0.256) 8.241 11.293 ( 0.899 -3.561 -1.291) 3.893 11.304 ( 0.146 3.084 -0.493) 3.127 11.337 ( -0.248 -2.766 1.898) 3.364 11.487 ( 0.089 -2.323 0.364) 2.353 11.789 ( 1.031 2.162 -2.122) 3.200 11.843 ( -0.352 1.571 0.799) 1.797 11.932 ( -0.571 0.748 -2.104) 2.304 12.075 ( -0.464 -6.051 1.612) 6.279 12.112 ( -0.228 2.928 0.719) 3.023 12.176 ( 0.221 -1.085 -0.739) 1.331 12.462 ( -0.870 8.799 -0.527) 8.858 12.516 ( -0.768 7.842 1.561) 8.032 12.635 ( -0.355 3.366 0.084) 3.385 12.676 ( -1.298 -2.953 -1.027) 3.386 12.890 ( 0.808 -3.307 0.015) 3.404 12.948 ( 0.035 5.141 -0.802) 5.204 13.092 ( 2.428 -5.081 1.651) 5.869 13.115 ( 0.136 -7.357 0.535) 7.377 13.401 ( -1.145 4.642 -0.447) 4.802 13.513 ( -1.681 3.762 -0.340) 4.135 13.574 ( -2.306 -3.319 0.216) 4.047 13.727 ( 0.381 -4.833 0.061) 4.848 14.232 ( 1.598 -0.131 -0.548) 1.695 14.249 ( 1.147 -0.618 -0.404) 1.364 14.393 ( 0.529 3.296 -0.858) 3.447 14.477 ( 1.301 2.593 0.811) 3.012 14.485 ( 0.141 0.158 -0.145) 0.256 14.606 ( 2.720 -2.129 -1.920) 3.952 21.451 ( 0.147 1.715 0.001) 1.721 21.542 ( -0.087 -1.372 -0.066) 1.376 21.781 ( 1.225 -0.840 0.246) 1.505 21.863 ( -0.373 -3.289 -0.346) 3.328 22.041 ( 0.256 8.868 0.101) 8.872 22.204 ( -0.023 0.373 0.060) 0.379 22.297 ( -2.546 2.971 -1.528) 4.200 22.606 ( -0.924 -9.900 0.229) 9.946 22.700 ( 0.397 -0.043 0.159) 0.430 22.708 ( -0.233 -0.275 0.355) 0.505 22.848 ( 0.748 0.929 2.252) 2.548 22.932 ( 0.589 -2.724 1.309) 3.079 23.056 ( -0.655 1.023 0.047) 1.215 23.080 ( -0.113 1.215 -1.409) 1.864 23.116 ( -3.285 3.027 0.106) 4.469 23.204 ( -1.927 1.158 -1.423) 2.661 23.332 ( 0.915 -1.098 3.431) 3.716 23.388 ( -0.867 -1.080 -0.276) 1.413 23.400 ( 2.151 3.553 -5.755) 7.097 23.504 ( 1.056 0.647 -7.008) 7.116 23.533 ( -0.406 1.268 -0.088) 1.334 23.561 ( 0.375 1.568 1.405) 2.139 23.623 ( -2.418 -0.792 3.814) 4.585 23.775 ( -2.001 -4.966 4.347) 6.896 23.996 ( -0.336 3.105 0.252) 3.134 24.175 ( 2.292 -3.831 -0.650) 4.511 24.604 ( 2.810 1.484 0.670) 3.248 24.719 ( 1.554 -2.916 0.222) 3.311 24.914 ( -0.039 0.938 0.228) 0.966 24.949 ( -0.673 0.269 -0.657) 0.979 25.001 ( -1.163 4.915 -0.310) 5.060 25.262 ( 0.831 -5.077 0.423) 5.162 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 -13.736 0.000) 13.736 0.728 ( 0.000 13.736 0.000) 13.736 0.901 ( 0.000 -17.454 0.000) 17.454 0.901 ( 0.000 17.454 0.000) 17.454 1.193 ( 0.000 -19.674 0.000) 19.674 1.193 ( 0.000 19.674 0.000) 19.674 1.479 ( 0.000 -11.626 0.000) 11.626 1.479 ( 0.000 11.626 0.000) 11.626 1.566 ( 0.000 -2.259 0.000) 2.259 1.566 ( 0.000 2.259 0.000) 2.259 1.787 ( 0.000 -3.566 0.000) 3.566 1.787 ( 0.000 3.566 0.000) 3.566 1.908 ( 0.000 -5.512 0.000) 5.512 1.908 ( 0.000 5.512 0.000) 5.512 1.936 ( 0.000 -2.809 0.000) 2.809 1.936 ( 0.000 2.809 0.000) 2.809 2.072 ( 0.000 -6.547 0.000) 6.547 2.072 ( 0.000 6.547 0.000) 6.547 2.137 ( 0.000 -2.273 0.000) 2.273 2.137 ( 0.000 2.273 0.000) 2.273 2.305 ( 0.000 -0.085 0.000) 0.085 2.305 ( 0.000 0.085 0.000) 0.085 2.363 ( 0.000 -0.150 0.000) 0.150 2.363 ( 0.000 0.150 0.000) 0.150 2.529 ( 0.000 -0.474 0.000) 0.474 2.529 ( 0.000 0.474 0.000) 0.474 2.578 ( 0.000 -10.144 0.000) 10.144 2.578 ( 0.000 10.144 0.000) 10.144 2.826 ( 0.000 -4.414 0.000) 4.414 2.826 ( 0.000 4.414 0.000) 4.414 2.904 ( 0.000 -4.295 0.000) 4.295 2.904 ( 0.000 4.295 0.000) 4.295 3.134 ( 0.000 -16.025 0.000) 16.025 3.134 ( 0.000 16.025 0.000) 16.025 3.223 ( 0.000 -2.083 0.000) 2.083 3.223 ( 0.000 2.083 0.000) 2.083 3.465 ( 0.000 -0.265 0.000) 0.265 3.465 ( 0.000 0.265 0.000) 0.265 3.597 ( 0.000 -0.442 0.000) 0.442 3.597 ( 0.000 0.442 0.000) 0.442 3.672 ( 0.000 -0.994 0.000) 0.994 3.672 ( 0.000 0.994 0.000) 0.994 3.848 ( 0.000 -3.332 0.000) 3.332 3.848 ( 0.000 3.332 0.000) 3.332 4.096 ( 0.000 -3.026 0.000) 3.026 4.096 ( 0.000 3.026 0.000) 3.026 4.154 ( 0.000 -5.191 0.000) 5.191 4.154 ( 0.000 5.191 0.000) 5.191 4.333 ( 0.000 -1.866 0.000) 1.866 4.333 ( 0.000 1.866 0.000) 1.866 4.571 ( 0.000 -2.058 0.000) 2.058 4.571 ( 0.000 2.058 0.000) 2.058 4.794 ( 0.000 -6.935 0.000) 6.935 4.794 ( 0.000 6.935 0.000) 6.935 4.844 ( 0.000 -5.258 0.000) 5.258 4.844 ( 0.000 5.258 0.000) 5.258 5.283 ( 0.000 -0.427 0.000) 0.427 5.283 ( 0.000 0.427 0.000) 0.427 5.434 ( 0.000 -1.948 0.000) 1.948 5.434 ( 0.000 1.948 0.000) 1.948 5.549 ( 0.000 -6.571 0.000) 6.571 5.549 ( 0.000 6.571 0.000) 6.571 5.623 ( 0.000 -4.207 0.000) 4.207 5.623 ( 0.000 4.207 0.000) 4.207 5.773 ( 0.000 -0.198 0.000) 0.198 5.773 ( 0.000 0.198 0.000) 0.198 5.933 ( 0.000 -1.582 0.000) 1.582 5.933 ( 0.000 1.582 0.000) 1.582 6.352 ( 0.000 -7.777 0.000) 7.777 6.352 ( 0.000 7.777 0.000) 7.777 6.862 ( 0.000 -4.975 0.000) 4.975 6.862 ( 0.000 4.975 0.000) 4.975 6.906 ( 0.000 -1.283 0.000) 1.283 6.906 ( 0.000 1.283 0.000) 1.283 7.167 ( 0.000 -3.262 0.000) 3.262 7.167 ( 0.000 3.262 0.000) 3.262 7.435 ( 0.000 -1.310 0.000) 1.310 7.435 ( 0.000 1.310 0.000) 1.310 7.996 ( 0.000 -2.950 0.000) 2.950 7.996 ( 0.000 2.950 0.000) 2.950 8.097 ( 0.000 -9.383 0.000) 9.383 8.097 ( 0.000 9.383 0.000) 9.383 8.574 ( 0.000 -3.114 0.000) 3.114 8.574 ( 0.000 3.114 0.000) 3.114 8.838 ( 0.000 -1.158 0.000) 1.158 8.838 ( 0.000 1.158 0.000) 1.158 8.903 ( 0.000 -0.282 0.000) 0.282 8.903 ( 0.000 0.282 0.000) 0.282 9.591 ( 0.000 -3.999 0.000) 3.999 9.591 ( 0.000 3.999 0.000) 3.999 9.971 ( 0.000 -4.684 0.000) 4.684 9.971 ( 0.000 4.684 0.000) 4.684 10.252 ( 0.000 -2.252 0.000) 2.252 10.252 ( 0.000 2.252 0.000) 2.252 10.859 ( 0.000 -11.244 0.000) 11.244 10.859 ( 0.000 11.244 0.000) 11.244 11.241 ( 0.000 -3.047 0.000) 3.047 11.241 ( 0.000 3.047 0.000) 3.047 11.396 ( 0.000 -4.896 0.000) 4.896 11.396 ( 0.000 4.896 0.000) 4.896 11.861 ( 0.000 -5.275 0.000) 5.275 11.861 ( 0.000 5.275 0.000) 5.275 12.026 ( 0.000 -1.541 0.000) 1.541 12.026 ( 0.000 1.541 0.000) 1.541 12.180 ( 0.000 -0.492 0.000) 0.492 12.180 ( 0.000 0.492 0.000) 0.492 12.661 ( 0.000 -5.300 0.000) 5.300 12.661 ( 0.000 5.300 0.000) 5.300 12.716 ( 0.000 -1.772 0.000) 1.772 12.716 ( 0.000 1.772 0.000) 1.772 12.845 ( 0.000 -4.198 0.000) 4.198 12.845 ( 0.000 4.198 0.000) 4.198 12.982 ( 0.000 -1.101 0.000) 1.101 12.982 ( 0.000 1.101 0.000) 1.101 13.616 ( 0.000 -2.009 0.000) 2.009 13.616 ( 0.000 2.009 0.000) 2.009 13.789 ( 0.000 -0.477 0.000) 0.477 13.789 ( 0.000 0.477 0.000) 0.477 14.038 ( 0.000 -0.846 0.000) 0.846 14.038 ( 0.000 0.846 0.000) 0.846 14.299 ( 0.000 -1.676 0.000) 1.676 14.299 ( 0.000 1.676 0.000) 1.676 14.470 ( 0.000 -1.135 0.000) 1.135 14.470 ( 0.000 1.135 0.000) 1.135 21.492 ( 0.000 -2.680 0.000) 2.680 21.492 ( 0.000 2.680 0.000) 2.680 21.857 ( 0.000 -2.001 0.000) 2.001 21.857 ( 0.000 2.001 0.000) 2.001 22.299 ( 0.000 -1.209 0.000) 1.209 22.299 ( 0.000 1.209 0.000) 1.209 22.394 ( 0.000 -2.150 0.000) 2.150 22.394 ( 0.000 2.150 0.000) 2.150 22.706 ( 0.000 -1.778 0.000) 1.778 22.706 ( 0.000 1.778 0.000) 1.778 22.833 ( 0.000 -1.588 0.000) 1.588 22.833 ( 0.000 1.588 0.000) 1.588 23.092 ( 0.000 -3.327 0.000) 3.327 23.092 ( 0.000 3.327 0.000) 3.327 23.218 ( 0.000 -3.167 0.000) 3.167 23.218 ( 0.000 3.167 0.000) 3.167 23.380 ( 0.000 -2.274 0.000) 2.274 23.380 ( 0.000 2.274 0.000) 2.274 23.489 ( 0.000 -0.484 0.000) 0.484 23.489 ( 0.000 0.484 0.000) 0.484 23.564 ( 0.000 -0.278 0.000) 0.278 23.564 ( 0.000 0.278 0.000) 0.278 23.890 ( 0.000 -2.118 0.000) 2.118 23.890 ( 0.000 2.118 0.000) 2.118 23.921 ( 0.000 -0.900 0.000) 0.900 23.921 ( 0.000 0.900 0.000) 0.900 24.539 ( 0.000 -5.733 0.000) 5.733 24.539 ( 0.000 5.733 0.000) 5.733 24.952 ( 0.000 -2.223 0.000) 2.223 24.952 ( 0.000 2.223 0.000) 2.223 25.090 ( 0.000 -0.412 0.000) 0.412 25.090 ( 0.000 0.412 0.000) 0.412 ======================= Grid point 12 (8/63) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 7.249 -6.001 -5.899) 11.107 0.766 ( 7.249 6.001 -5.899) 11.107 0.992 ( 6.190 -9.275 -1.182) 11.213 0.992 ( 6.190 9.275 -1.182) 11.213 1.340 ( 6.592 -7.054 -2.921) 10.087 1.340 ( 6.592 7.054 -2.921) 10.087 1.474 ( 2.181 -6.095 -1.307) 6.604 1.474 ( 2.181 6.095 -1.307) 6.604 1.592 ( 0.637 -5.883 1.826) 6.193 1.592 ( 0.637 5.883 1.826) 6.193 1.767 ( -2.495 -2.419 3.516) 4.944 1.767 ( -2.495 2.419 3.516) 4.944 1.900 ( 0.558 -1.250 2.384) 2.749 1.900 ( 0.558 1.250 2.384) 2.749 1.969 ( 1.604 -3.274 -3.983) 5.400 1.969 ( 1.604 3.274 -3.983) 5.400 2.044 ( 1.505 -4.227 -1.500) 4.731 2.044 ( 1.505 4.227 -1.500) 4.731 2.159 ( -6.975 -6.080 -0.408) 9.262 2.159 ( -6.975 6.080 -0.408) 9.262 2.211 ( 4.744 -2.464 4.694) 7.114 2.211 ( 4.744 2.464 4.694) 7.114 2.422 ( 2.031 -2.779 0.184) 3.447 2.422 ( 2.031 2.779 0.184) 3.447 2.518 ( -3.047 -5.974 -0.663) 6.739 2.518 ( -3.047 5.974 -0.663) 6.739 2.658 ( 6.815 -1.000 1.958) 7.161 2.658 ( 6.815 1.000 1.958) 7.161 2.798 ( -2.098 -4.681 0.484) 5.153 2.798 ( -2.098 4.681 0.484) 5.153 2.911 ( -0.236 -2.213 1.689) 2.794 2.911 ( -0.236 2.213 1.689) 2.794 3.082 ( -5.352 -8.345 -2.941) 10.341 3.082 ( -5.352 8.345 -2.941) 10.341 3.209 ( 2.352 -5.954 -1.152) 6.505 3.209 ( 2.352 5.954 -1.152) 6.505 3.471 ( -0.578 -1.932 2.983) 3.601 3.471 ( -0.578 1.932 2.983) 3.601 3.553 ( -4.507 -1.122 -2.160) 5.122 3.553 ( -4.507 1.122 -2.160) 5.122 3.689 ( 3.017 -2.423 -0.817) 3.955 3.689 ( 3.017 2.423 -0.817) 3.955 3.863 ( -0.742 -2.701 0.779) 2.907 3.863 ( -0.742 2.701 0.779) 2.907 4.046 ( 2.095 -2.902 -3.106) 4.739 4.046 ( 2.095 2.902 -3.106) 4.739 4.234 ( 1.478 -5.501 1.838) 5.985 4.234 ( 1.478 5.501 1.838) 5.985 4.409 ( 1.515 -5.869 0.186) 6.064 4.409 ( 1.515 5.869 0.186) 6.064 4.496 ( -2.346 -1.347 2.513) 3.692 4.496 ( -2.346 1.347 2.513) 3.692 4.732 ( -1.828 -4.606 -0.498) 4.980 4.732 ( -1.828 4.606 -0.498) 4.980 4.884 ( 0.573 -7.906 -0.425) 7.938 4.884 ( 0.573 7.906 -0.425) 7.938 5.246 ( -4.216 -2.437 1.175) 5.009 5.246 ( -4.216 2.437 1.175) 5.009 5.422 ( -1.781 -4.456 -0.842) 4.872 5.422 ( -1.781 4.456 -0.842) 4.872 5.548 ( 1.088 -7.186 0.364) 7.277 5.548 ( 1.088 7.186 0.364) 7.277 5.617 ( 0.180 -5.960 0.007) 5.963 5.617 ( 0.180 5.960 0.007) 5.963 5.858 ( 3.326 -0.711 1.272) 3.631 5.858 ( 3.326 0.711 1.272) 3.631 5.957 ( 4.413 -0.569 -2.179) 4.955 5.957 ( 4.413 0.569 -2.179) 4.955 6.343 ( -1.086 -5.075 -0.536) 5.217 6.343 ( -1.086 5.075 -0.536) 5.217 6.840 ( -1.319 -3.522 2.754) 4.661 6.840 ( -1.319 3.522 2.754) 4.661 6.925 ( 0.922 -2.088 -2.435) 3.338 6.925 ( 0.922 2.088 -2.435) 3.338 7.167 ( 0.382 -3.177 0.102) 3.201 7.167 ( 0.382 3.177 0.102) 3.201 7.465 ( 2.551 -2.861 -1.451) 4.099 7.465 ( 2.551 2.861 -1.451) 4.099 7.982 ( -0.966 -3.368 -0.250) 3.513 7.982 ( -0.966 3.368 -0.250) 3.513 8.115 ( 1.104 -7.609 -0.205) 7.691 8.115 ( 1.104 7.609 -0.205) 7.691 8.575 ( 0.205 -2.902 -0.546) 2.960 8.575 ( 0.205 2.902 -0.546) 2.960 8.827 ( -1.258 -1.085 0.963) 1.920 8.827 ( -1.258 1.085 0.963) 1.920 8.905 ( 0.226 -0.139 0.597) 0.654 8.905 ( 0.226 0.139 0.597) 0.654 9.629 ( 2.404 -1.912 2.016) 3.674 9.629 ( 2.404 1.912 2.016) 3.674 9.970 ( 0.037 -4.169 -0.520) 4.202 9.970 ( 0.037 4.169 -0.520) 4.202 10.242 ( -0.733 -2.249 -0.657) 2.455 10.242 ( -0.733 2.249 -0.657) 2.455 10.828 ( -2.421 -10.882 0.631) 11.166 10.828 ( -2.421 10.882 0.631) 11.166 11.264 ( 0.832 -1.880 1.212) 2.386 11.264 ( 0.832 1.880 1.212) 2.386 11.387 ( 0.306 -5.146 -1.698) 5.427 11.387 ( 0.306 5.146 -1.698) 5.427 11.862 ( 0.156 -4.072 -1.269) 4.268 11.862 ( 0.156 4.072 -1.269) 4.268 11.984 ( -2.689 -2.231 -0.074) 3.495 11.984 ( -2.689 2.231 -0.074) 3.495 12.160 ( -0.767 -0.954 -0.285) 1.257 12.160 ( -0.767 0.954 -0.285) 1.257 12.632 ( -3.095 -2.834 -3.975) 5.780 12.632 ( -3.095 2.834 -3.975) 5.780 12.720 ( 0.985 -6.491 5.014) 8.261 12.720 ( 0.985 6.491 5.014) 8.261 12.857 ( 0.367 -8.202 0.980) 8.268 12.857 ( 0.367 8.202 0.980) 8.268 13.010 ( 1.971 -2.118 -0.395) 2.920 13.010 ( 1.971 2.118 -0.395) 2.920 13.581 ( -4.423 -3.254 -1.861) 5.798 13.581 ( -4.423 3.254 -1.861) 5.798 13.642 ( -4.287 -2.471 2.093) 5.373 13.642 ( -4.287 2.471 2.093) 5.373 14.178 ( 5.096 -1.846 -1.281) 5.569 14.178 ( 5.096 1.846 -1.281) 5.569 14.400 ( 7.708 -2.461 -1.171) 8.176 14.400 ( 7.708 2.461 -1.171) 8.176 14.471 ( 0.508 -1.066 0.302) 1.219 14.471 ( 0.508 1.066 0.302) 1.219 21.495 ( 0.202 -2.658 0.049) 2.666 21.495 ( 0.202 2.658 0.049) 2.666 21.833 ( -1.771 -2.435 -1.102) 3.207 21.833 ( -1.771 2.435 -1.102) 3.207 22.199 ( -3.429 -3.572 -1.122) 5.077 22.199 ( -3.429 3.572 -1.122) 5.077 22.444 ( 0.169 -6.701 1.136) 6.798 22.444 ( 0.169 6.701 1.136) 6.798 22.707 ( 0.023 -1.240 -1.223) 1.742 22.707 ( 0.023 1.240 -1.223) 1.742 22.853 ( 0.861 -2.076 4.566) 5.089 22.853 ( 0.861 2.076 4.566) 5.089 23.101 ( -0.025 -0.763 -3.073) 3.167 23.101 ( -0.025 0.763 -3.073) 3.167 23.206 ( -0.622 -1.548 2.105) 2.686 23.206 ( -0.622 1.548 2.105) 2.686 23.372 ( -2.218 -2.687 1.457) 3.776 23.372 ( -2.218 2.687 1.457) 3.776 23.456 ( 1.158 -2.227 -12.269) 12.523 23.456 ( 1.158 2.227 -12.269) 12.523 23.565 ( 0.301 -1.050 0.009) 1.093 23.565 ( 0.301 1.050 0.009) 1.093 23.742 ( -7.004 -3.493 9.878) 12.603 23.742 ( -7.004 3.493 9.878) 12.603 24.038 ( 3.747 -1.782 -1.175) 4.312 24.038 ( 3.747 1.782 -1.175) 4.312 24.586 ( 3.406 -4.617 0.704) 5.780 24.586 ( 3.406 4.617 0.704) 5.780 24.951 ( -0.348 -1.513 -0.417) 1.608 24.951 ( -0.348 1.513 -0.417) 1.608 25.110 ( 1.393 -4.470 0.190) 4.686 25.110 ( 1.393 4.470 0.190) 4.686 ======================= Grid point 14 (9/63) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 9.746 -8.028 -2.863) 12.947 0.971 ( 9.746 8.028 -2.863) 12.947 1.108 ( 3.408 -9.608 0.484) 10.205 1.108 ( 3.408 9.608 0.484) 10.205 1.368 ( 1.293 -3.894 -1.255) 4.291 1.368 ( 1.293 3.894 -1.255) 4.291 1.444 ( -6.319 -6.225 -1.091) 8.937 1.444 ( -6.319 6.225 -1.091) 8.937 1.577 ( -2.348 -4.843 -0.482) 5.403 1.577 ( -2.348 4.843 -0.482) 5.403 1.765 ( 1.346 -3.572 0.353) 3.834 1.765 ( 1.346 3.572 0.353) 3.834 1.931 ( -0.076 -1.972 5.525) 5.867 1.931 ( -0.076 1.972 5.525) 5.867 1.966 ( 0.873 -1.468 -3.361) 3.770 1.966 ( 0.873 1.468 -3.361) 3.770 2.029 ( -3.433 -8.060 -0.732) 8.791 2.029 ( -3.433 8.060 -0.732) 8.791 2.172 ( 6.736 -2.650 -0.528) 7.258 2.172 ( 6.736 2.650 -0.528) 7.258 2.376 ( 6.167 -1.974 2.285) 6.867 2.376 ( 6.167 1.974 2.285) 6.867 2.434 ( -1.491 -7.417 0.142) 7.566 2.434 ( -1.491 7.417 0.142) 7.566 2.522 ( 5.090 -3.205 1.268) 6.148 2.522 ( 5.090 3.205 1.268) 6.148 2.660 ( -3.900 -2.040 -1.170) 4.554 2.660 ( -3.900 2.040 -1.170) 4.554 2.818 ( -1.240 -1.971 -1.422) 2.728 2.818 ( -1.240 1.971 -1.422) 2.728 2.888 ( -1.768 -1.881 1.164) 2.832 2.888 ( -1.768 1.881 1.164) 2.832 2.973 ( -2.088 -3.239 0.860) 3.949 2.973 ( -2.088 3.239 0.860) 3.949 3.214 ( -1.001 -7.225 -0.847) 7.343 3.214 ( -1.001 7.225 -0.847) 7.343 3.460 ( 1.190 -2.394 0.594) 2.738 3.460 ( 1.190 2.394 0.594) 2.738 3.568 ( 4.175 -2.759 -0.275) 5.012 3.568 ( 4.175 2.759 -0.275) 5.012 3.735 ( -4.179 -5.159 -0.845) 6.693 3.735 ( -4.179 5.159 -0.845) 6.693 3.804 ( 1.434 -6.181 0.296) 6.352 3.804 ( 1.434 6.181 0.296) 6.352 4.108 ( 1.809 -5.361 -1.264) 5.798 4.108 ( 1.809 5.361 -1.264) 5.798 4.210 ( -3.029 -7.419 0.590) 8.036 4.210 ( -3.029 7.419 0.590) 8.036 4.379 ( -0.535 -2.236 0.613) 2.380 4.379 ( -0.535 2.236 0.613) 2.380 4.488 ( -1.081 -6.499 0.766) 6.632 4.488 ( -1.081 6.499 0.766) 6.632 4.758 ( 2.650 -3.484 -0.340) 4.390 4.758 ( 2.650 3.484 -0.340) 4.390 4.887 ( 0.177 -4.754 0.728) 4.813 4.887 ( 0.177 4.754 0.728) 4.813 5.133 ( -4.566 -3.606 -0.313) 5.826 5.133 ( -4.566 3.606 -0.313) 5.826 5.394 ( -0.096 -3.091 -1.539) 3.455 5.394 ( -0.096 3.091 -1.539) 3.455 5.557 ( -0.255 -7.562 0.257) 7.571 5.557 ( -0.255 7.562 0.257) 7.571 5.626 ( 0.051 -10.280 0.750) 10.307 5.626 ( 0.051 10.280 0.750) 10.307 5.907 ( 1.637 -1.991 2.173) 3.372 5.907 ( 1.637 1.991 2.173) 3.372 6.052 ( 2.569 -3.442 -1.654) 4.602 6.052 ( 2.569 3.442 -1.654) 4.602 6.307 ( -1.295 -1.421 -0.784) 2.076 6.307 ( -1.295 1.421 -0.784) 2.076 6.837 ( 0.218 -1.337 1.225) 1.826 6.837 ( 0.218 1.337 1.225) 1.826 6.917 ( -0.710 -5.276 -0.903) 5.400 6.917 ( -0.710 5.276 -0.903) 5.400 7.186 ( 0.865 -1.672 0.012) 1.882 7.186 ( 0.865 1.672 0.012) 1.882 7.510 ( 1.462 -3.256 -0.980) 3.702 7.510 ( 1.462 3.256 -0.980) 3.702 7.964 ( -0.517 -5.725 -0.051) 5.748 7.964 ( -0.517 5.725 -0.051) 5.748 8.131 ( 0.357 -6.918 -0.180) 6.930 8.131 ( 0.357 6.918 -0.180) 6.930 8.579 ( 0.208 -2.621 -0.309) 2.648 8.579 ( 0.208 2.621 -0.309) 2.648 8.799 ( -1.068 -0.614 0.589) 1.365 8.799 ( -1.068 0.614 0.589) 1.365 8.914 ( 0.269 -0.661 0.321) 0.782 8.914 ( 0.269 0.661 0.321) 0.782 9.673 ( 0.921 -0.192 1.160) 1.493 9.673 ( 0.921 0.192 1.160) 1.493 9.970 ( 0.099 -3.354 -0.450) 3.385 9.970 ( 0.099 3.354 -0.450) 3.385 10.225 ( -0.488 -2.444 -0.346) 2.516 10.225 ( -0.488 2.444 -0.346) 2.516 10.785 ( -1.266 -10.565 0.317) 10.646 10.785 ( -1.266 10.565 0.317) 10.646 11.260 ( -0.824 -1.072 1.061) 1.718 11.260 ( -0.824 1.072 1.061) 1.718 11.414 ( 1.617 -4.408 -1.392) 4.897 11.414 ( 1.617 4.408 -1.392) 4.897 11.856 ( -0.189 -1.870 -1.066) 2.161 11.856 ( -0.189 1.870 -1.066) 2.161 11.951 ( -0.538 -3.485 0.527) 3.565 11.951 ( -0.538 3.485 0.527) 3.565 12.155 ( 0.117 -1.278 -0.171) 1.295 12.155 ( 0.117 1.278 -0.171) 1.295 12.555 ( -2.271 -4.228 -0.741) 4.856 12.555 ( -2.271 4.228 -0.741) 4.856 12.763 ( 1.454 -5.123 1.002) 5.419 12.763 ( 1.454 5.123 1.002) 5.419 12.852 ( -0.835 -10.704 0.739) 10.762 12.852 ( -0.835 10.704 0.739) 10.762 13.043 ( 0.903 -3.728 -0.077) 3.837 13.043 ( 0.903 3.728 -0.077) 3.837 13.492 ( -2.101 -4.236 -0.128) 4.730 13.492 ( -2.101 4.236 -0.128) 4.730 13.614 ( -0.371 -5.554 0.047) 5.566 13.614 ( -0.371 5.554 0.047) 5.566 14.237 ( 1.268 -0.565 -0.282) 1.416 14.237 ( 1.268 0.565 -0.282) 1.416 14.456 ( 0.075 -2.247 -0.116) 2.251 14.456 ( 0.075 2.247 -0.116) 2.251 14.549 ( 3.268 -3.228 -0.578) 4.630 14.549 ( 3.268 3.228 -0.578) 4.630 21.499 ( 0.100 -2.577 0.021) 2.579 21.499 ( 0.100 2.577 0.021) 2.579 21.797 ( -0.836 -2.297 -0.518) 2.499 21.797 ( -0.836 2.297 -0.518) 2.499 22.180 ( 0.801 -3.471 -0.378) 3.582 22.180 ( 0.801 3.471 -0.378) 3.582 22.409 ( -2.204 -8.155 0.059) 8.448 22.409 ( -2.204 8.155 0.059) 8.448 22.703 ( -0.103 -0.294 0.226) 0.384 22.703 ( -0.103 0.294 0.226) 0.384 22.879 ( 0.384 -2.105 1.665) 2.712 22.879 ( 0.384 2.105 1.665) 2.712 23.071 ( -0.958 -0.720 -1.061) 1.601 23.071 ( -0.958 0.720 -1.061) 1.601 23.197 ( -0.847 -2.627 0.488) 2.803 23.197 ( -0.847 2.627 0.488) 2.803 23.332 ( -0.748 -1.845 0.719) 2.117 23.332 ( -0.748 1.845 0.719) 2.117 23.491 ( 3.643 -2.540 -8.487) 9.579 23.491 ( 3.643 2.540 -8.487) 9.579 23.562 ( -0.964 -1.536 0.308) 1.839 23.562 ( -0.964 1.536 0.308) 1.839 23.664 ( -2.790 -4.937 7.024) 9.027 23.664 ( -2.790 4.937 7.024) 9.027 24.080 ( 0.807 -4.787 -0.390) 4.870 24.080 ( 0.807 4.787 -0.390) 4.870 24.653 ( 1.952 -3.088 0.378) 3.672 24.653 ( 1.952 3.088 0.378) 3.672 24.937 ( -0.571 -1.057 -0.308) 1.241 24.937 ( -0.571 1.057 -0.308) 1.241 25.133 ( 0.520 -6.861 0.155) 6.882 25.133 ( 0.520 6.861 0.155) 6.882 ======================= Grid point 25 (10/63) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 3.135 0.000 18.333) 18.599 0.402 ( 8.416 0.000 21.214) 22.823 0.835 ( -15.668 0.000 39.755) 42.731 1.085 ( -0.491 0.000 3.069) 3.108 1.362 ( -3.309 0.000 0.270) 3.320 1.408 ( -1.615 0.000 14.069) 14.161 1.525 ( -2.469 0.000 1.101) 2.704 1.535 ( -3.570 0.000 3.377) 4.914 1.619 ( 4.557 0.000 -3.820) 5.947 1.690 ( 2.375 0.000 -2.446) 3.409 1.746 ( -1.913 0.000 1.673) 2.542 1.843 ( 1.498 0.000 5.406) 5.610 1.899 ( -1.266 0.000 -5.287) 5.437 1.912 ( -1.678 0.000 6.244) 6.465 1.962 ( 2.191 0.000 2.382) 3.236 1.978 ( 0.117 0.000 -1.311) 1.317 2.053 ( -1.839 0.000 9.552) 9.727 2.083 ( -0.401 0.000 11.334) 11.341 2.168 ( -1.758 0.000 1.591) 2.371 2.283 ( -0.102 0.000 12.070) 12.071 2.287 ( 1.011 0.000 2.556) 2.749 2.315 ( 1.465 0.000 3.467) 3.763 2.439 ( 5.180 0.000 4.090) 6.600 2.471 ( -3.267 0.000 1.946) 3.803 2.493 ( -5.044 0.000 0.037) 5.045 2.606 ( -2.929 0.000 11.027) 11.409 2.624 ( -2.333 0.000 4.306) 4.897 2.748 ( -0.816 0.000 2.838) 2.953 2.749 ( -0.746 0.000 1.886) 2.028 2.789 ( -4.384 0.000 1.746) 4.719 2.866 ( 2.847 0.000 -0.290) 2.862 2.881 ( 0.082 0.000 -0.227) 0.241 2.982 ( 2.899 0.000 4.032) 4.966 3.135 ( 0.637 0.000 0.001) 0.637 3.279 ( -5.971 0.000 2.159) 6.349 3.353 ( -1.217 0.000 1.188) 1.701 3.552 ( -5.027 0.000 -2.160) 5.472 3.553 ( -13.525 0.000 0.747) 13.546 3.634 ( 8.759 0.000 -3.180) 9.318 3.636 ( 3.278 0.000 0.085) 3.279 3.680 ( -3.213 0.000 -4.065) 5.182 3.755 ( -5.782 0.000 0.972) 5.863 3.885 ( -2.173 0.000 4.077) 4.619 3.943 ( -3.624 0.000 1.633) 3.975 4.090 ( 6.242 0.000 -1.388) 6.395 4.095 ( 5.602 0.000 -1.452) 5.787 4.136 ( 29.966 0.000 -0.583) 29.972 4.177 ( -0.023 0.000 -2.048) 2.048 4.367 ( -7.661 0.000 -2.179) 7.965 4.424 ( -0.212 0.000 0.822) 0.849 4.468 ( -1.398 0.000 2.272) 2.668 4.535 ( -0.943 0.000 4.110) 4.217 4.566 ( 6.341 0.000 1.128) 6.441 4.785 ( 0.611 0.000 -1.745) 1.849 4.932 ( -1.526 0.000 2.166) 2.650 5.047 ( 3.164 0.000 -2.153) 3.827 5.165 ( 7.430 0.000 0.821) 7.475 5.251 ( 2.680 0.000 -5.766) 6.358 5.302 ( -5.862 0.000 -1.643) 6.088 5.307 ( -4.181 0.000 -0.758) 4.249 5.509 ( 2.175 0.000 3.441) 4.071 5.560 ( -4.914 0.000 0.740) 4.970 5.642 ( -2.144 0.000 0.247) 2.158 5.736 ( -3.877 0.000 -0.566) 3.918 5.764 ( 3.766 0.000 -3.468) 5.120 5.791 ( -1.066 0.000 2.641) 2.848 5.914 ( -2.372 0.000 0.325) 2.394 5.951 ( 0.179 0.000 1.685) 1.695 6.123 ( -1.302 0.000 3.554) 3.785 6.446 ( 0.083 0.000 -0.650) 0.655 6.701 ( 0.190 0.000 0.573) 0.603 6.894 ( -1.922 0.000 -3.081) 3.631 7.022 ( -1.350 0.000 2.327) 2.691 7.058 ( 0.824 0.000 0.172) 0.841 7.162 ( 1.334 0.000 0.733) 1.522 7.289 ( -1.054 0.000 3.624) 3.774 7.322 ( 2.725 0.000 -0.975) 2.894 7.533 ( -4.149 0.000 2.913) 5.070 7.805 ( 0.493 0.000 2.152) 2.208 7.998 ( -2.714 0.000 -0.993) 2.890 8.040 ( -0.381 0.000 1.194) 1.253 8.310 ( -0.021 0.000 -1.860) 1.861 8.500 ( 0.817 0.000 -0.266) 0.859 8.527 ( 1.822 0.000 -10.928) 11.079 8.729 ( 0.612 0.000 -8.429) 8.452 8.823 ( 2.063 0.000 -10.746) 10.943 8.839 ( 0.432 0.000 1.962) 2.010 8.850 ( 2.934 0.000 -6.894) 7.492 9.473 ( 6.333 0.000 -4.339) 7.677 9.726 ( 2.160 0.000 0.706) 2.273 9.774 ( 1.103 0.000 -4.125) 4.270 10.081 ( 0.281 0.000 -1.129) 1.164 10.138 ( 0.066 0.000 -3.714) 3.715 10.456 ( -0.589 0.000 12.517) 12.531 10.561 ( 0.492 0.000 0.030) 0.493 11.055 ( -0.704 0.000 -4.126) 4.186 11.186 ( -0.824 0.000 -0.371) 0.903 11.217 ( -0.467 0.000 -5.974) 5.992 11.415 ( 3.563 0.000 -4.668) 5.872 11.525 ( 3.249 0.000 -6.609) 7.365 11.785 ( -0.329 0.000 3.640) 3.654 11.838 ( -0.135 0.000 -4.326) 4.328 11.987 ( 6.207 0.000 -4.069) 7.422 11.990 ( -6.363 0.000 -6.172) 8.865 12.114 ( 2.832 0.000 -1.521) 3.214 12.145 ( 0.313 0.000 -1.745) 1.773 12.290 ( 3.240 0.000 3.765) 4.967 12.568 ( 1.149 0.000 0.606) 1.299 12.660 ( -4.181 0.000 -0.466) 4.206 12.770 ( -10.426 0.000 -3.783) 11.091 12.827 ( -0.169 0.000 -0.673) 0.694 12.918 ( -0.425 0.000 -0.211) 0.474 12.942 ( 2.112 0.000 0.823) 2.267 13.219 ( 1.012 0.000 -2.151) 2.377 13.271 ( 0.607 0.000 -1.147) 1.297 13.727 ( 3.700 0.000 -6.532) 7.507 13.792 ( -1.558 0.000 4.719) 4.970 14.033 ( 17.355 0.000 6.798) 18.639 14.057 ( -3.706 0.000 2.927) 4.722 14.230 ( -34.896 0.000 3.346) 35.056 14.246 ( -0.689 0.000 -0.072) 0.692 14.414 ( -3.623 0.000 6.065) 7.065 14.456 ( 0.574 0.000 3.231) 3.281 14.497 ( 0.470 0.000 1.050) 1.150 21.421 ( -0.281 0.000 -0.171) 0.328 21.548 ( -0.682 0.000 -1.708) 1.839 21.656 ( 1.527 0.000 1.536) 2.166 21.830 ( 3.821 0.000 -0.859) 3.916 21.957 ( 0.327 0.000 -1.682) 1.713 22.220 ( -0.703 0.000 -1.439) 1.601 22.290 ( -0.718 0.000 -3.379) 3.454 22.336 ( 8.202 0.000 -0.299) 8.208 22.681 ( 1.130 0.000 -0.462) 1.221 22.681 ( 0.636 0.000 -7.740) 7.766 22.727 ( -1.742 0.000 -4.352) 4.688 22.806 ( -0.554 0.000 -14.390) 14.401 22.883 ( 1.017 0.000 -4.107) 4.231 23.047 ( -0.446 0.000 -12.780) 12.788 23.172 ( -2.853 0.000 1.584) 3.264 23.251 ( 4.206 0.000 0.045) 4.206 23.270 ( -3.652 0.000 1.337) 3.889 23.392 ( 1.127 0.000 -1.018) 1.519 23.455 ( -2.175 0.000 7.895) 8.189 23.538 ( -3.838 0.000 7.491) 8.417 23.673 ( -4.083 0.000 10.704) 11.456 23.791 ( -4.378 0.000 14.702) 15.339 23.844 ( 11.785 0.000 2.120) 11.974 23.927 ( -4.416 0.000 3.077) 5.382 24.067 ( -4.758 0.000 10.229) 11.282 24.361 ( 1.447 0.000 -0.386) 1.497 24.699 ( 0.076 0.000 1.390) 1.392 24.856 ( -3.757 0.000 -3.812) 5.352 24.891 ( -2.641 0.000 -0.158) 2.645 24.943 ( -0.522 0.000 1.595) 1.679 25.014 ( 0.991 0.000 -3.393) 3.535 25.062 ( 8.371 0.000 -1.539) 8.511 ======================= Grid point 26 (11/63) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 10.040 0.000 13.732) 17.011 0.608 ( 2.478 0.000 24.824) 24.947 1.103 ( 0.040 0.000 2.390) 2.390 1.139 ( 19.384 0.000 10.427) 22.011 1.256 ( 3.638 0.000 -0.700) 3.704 1.401 ( -2.412 0.000 10.149) 10.432 1.508 ( 0.835 0.000 2.958) 3.074 1.525 ( 1.160 0.000 3.666) 3.845 1.588 ( -3.068 0.000 3.810) 4.892 1.738 ( 0.379 0.000 3.626) 3.645 1.745 ( 1.884 0.000 -1.256) 2.265 1.816 ( -4.605 0.000 4.790) 6.644 1.844 ( -1.600 0.000 -2.035) 2.589 1.888 ( -8.044 0.000 9.409) 12.379 1.966 ( -4.310 0.000 2.098) 4.793 1.998 ( -0.458 0.000 4.196) 4.221 2.060 ( 2.063 0.000 7.000) 7.297 2.132 ( 8.081 0.000 2.890) 8.583 2.142 ( -11.331 0.000 10.078) 15.165 2.220 ( 10.220 0.000 2.792) 10.594 2.339 ( 1.082 0.000 3.254) 3.429 2.400 ( 3.821 0.000 7.144) 8.101 2.473 ( 2.781 0.000 0.999) 2.955 2.486 ( -0.364 0.000 -1.947) 1.981 2.506 ( -2.134 0.000 8.313) 8.582 2.604 ( 2.270 0.000 4.018) 4.615 2.606 ( -0.186 0.000 -1.659) 1.669 2.764 ( 3.413 0.000 8.547) 9.204 2.788 ( -1.927 0.000 0.943) 2.146 2.834 ( 4.144 0.000 3.698) 5.555 2.859 ( 1.957 0.000 -0.628) 2.056 2.913 ( 0.414 0.000 -1.406) 1.465 3.106 ( 5.845 0.000 3.177) 6.653 3.110 ( -4.460 0.000 -1.351) 4.660 3.162 ( -6.927 0.000 3.828) 7.915 3.311 ( -1.724 0.000 1.247) 2.127 3.364 ( -5.164 0.000 5.741) 7.722 3.433 ( -2.886 0.000 -2.208) 3.634 3.491 ( -8.774 0.000 -2.306) 9.072 3.676 ( 0.318 0.000 1.300) 1.338 3.689 ( -0.520 0.000 1.274) 1.376 3.812 ( 4.494 0.000 -2.743) 5.265 3.886 ( -2.041 0.000 5.234) 5.618 3.893 ( -1.304 0.000 -0.894) 1.581 4.032 ( -1.938 0.000 0.425) 1.984 4.108 ( -5.607 0.000 -2.014) 5.957 4.162 ( 2.199 0.000 2.136) 3.066 4.274 ( -3.066 0.000 5.013) 5.876 4.380 ( 2.040 0.000 -9.012) 9.240 4.405 ( -1.431 0.000 2.934) 3.265 4.425 ( -1.551 0.000 1.220) 1.973 4.600 ( 1.667 0.000 -1.761) 2.425 4.783 ( 10.124 0.000 3.896) 10.848 4.878 ( 4.779 0.000 -2.282) 5.296 4.953 ( 2.498 0.000 1.092) 2.726 5.016 ( -4.809 0.000 -3.530) 5.966 5.155 ( -6.227 0.000 2.265) 6.626 5.199 ( -5.554 0.000 -2.452) 6.071 5.254 ( -0.505 0.000 -6.040) 6.061 5.318 ( 0.085 0.000 1.162) 1.165 5.540 ( -0.596 0.000 6.147) 6.176 5.600 ( -1.079 0.000 -1.392) 1.761 5.669 ( 0.849 0.000 -2.622) 2.756 5.771 ( -2.202 0.000 -1.396) 2.607 5.842 ( 3.554 0.000 -2.200) 4.180 5.849 ( 1.355 0.000 1.326) 1.896 5.901 ( 17.765 0.000 -11.071) 20.932 5.962 ( 0.005 0.000 2.684) 2.684 6.211 ( 5.322 0.000 -0.817) 5.385 6.397 ( -3.989 0.000 -1.504) 4.263 6.717 ( 0.977 0.000 1.028) 1.418 6.875 ( 0.575 0.000 -3.509) 3.555 7.003 ( -3.699 0.000 1.115) 3.864 7.022 ( 1.375 0.000 1.858) 2.311 7.188 ( 0.452 0.000 0.630) 0.775 7.272 ( -1.448 0.000 3.908) 4.167 7.393 ( 3.271 0.000 -2.709) 4.248 7.465 ( -1.696 0.000 2.935) 3.389 7.809 ( -0.949 0.000 2.761) 2.920 8.009 ( 2.060 0.000 -0.763) 2.196 8.039 ( 0.011 0.000 0.934) 0.934 8.304 ( 0.294 0.000 -3.283) 3.296 8.513 ( 0.310 0.000 0.306) 0.435 8.527 ( 1.240 0.000 -11.105) 11.174 8.702 ( -0.282 0.000 -8.300) 8.305 8.835 ( 2.224 0.000 -10.655) 10.885 8.839 ( -0.970 0.000 1.976) 2.201 8.853 ( -0.288 0.000 -5.090) 5.098 9.586 ( 4.136 0.000 -10.603) 11.381 9.771 ( 0.376 0.000 -0.577) 0.689 9.800 ( 2.054 0.000 -3.761) 4.286 10.070 ( -0.947 0.000 -0.650) 1.149 10.117 ( -0.685 0.000 -4.179) 4.235 10.468 ( -2.330 0.000 13.593) 13.791 10.536 ( -2.350 0.000 0.245) 2.363 11.059 ( 2.264 0.000 -3.660) 4.304 11.188 ( 1.280 0.000 -1.365) 1.871 11.197 ( 0.328 0.000 -7.067) 7.075 11.473 ( 2.427 0.000 -1.930) 3.101 11.551 ( -0.321 0.000 -3.074) 3.091 11.760 ( -2.817 0.000 -0.421) 2.849 11.802 ( -0.690 0.000 -0.672) 0.963 11.868 ( -2.455 0.000 -3.031) 3.900 12.020 ( -2.142 0.000 -2.594) 3.364 12.075 ( 0.391 0.000 -8.947) 8.956 12.156 ( 1.851 0.000 -1.777) 2.566 12.359 ( 1.375 0.000 3.114) 3.405 12.487 ( -4.948 0.000 1.333) 5.125 12.636 ( -0.204 0.000 5.402) 5.406 12.706 ( 3.046 0.000 -5.499) 6.286 12.823 ( 0.142 0.000 -1.014) 1.024 12.907 ( -0.123 0.000 -1.070) 1.077 13.038 ( 4.509 0.000 -1.372) 4.713 13.231 ( 1.120 0.000 0.696) 1.319 13.305 ( 2.180 0.000 0.549) 2.248 13.678 ( -10.816 0.000 8.009) 13.458 13.688 ( -4.790 0.000 -3.261) 5.795 13.826 ( -2.796 0.000 6.215) 6.815 14.070 ( 4.069 0.000 -3.414) 5.312 14.242 ( 0.328 0.000 0.261) 0.419 14.336 ( 4.900 0.000 2.116) 5.338 14.483 ( 7.649 0.000 3.518) 8.419 14.487 ( 0.875 0.000 4.439) 4.524 14.511 ( 0.264 0.000 1.834) 1.853 21.420 ( 0.307 0.000 -0.587) 0.662 21.533 ( -0.010 0.000 -1.997) 1.997 21.734 ( 4.712 0.000 2.208) 5.203 21.850 ( -0.258 0.000 -1.256) 1.282 21.953 ( -0.199 0.000 -1.718) 1.730 22.189 ( -1.087 0.000 -2.813) 3.016 22.258 ( -1.412 0.000 -4.010) 4.252 22.620 ( 7.609 0.000 -8.174) 11.167 22.647 ( -0.679 0.000 -4.095) 4.150 22.725 ( 2.100 0.000 -5.517) 5.904 22.729 ( 3.129 0.000 -3.987) 5.068 22.854 ( 8.283 0.000 -12.788) 15.236 22.872 ( 0.011 0.000 -7.091) 7.091 23.037 ( 4.007 0.000 -13.765) 14.336 23.115 ( -2.576 0.000 2.176) 3.373 23.217 ( -1.140 0.000 4.049) 4.206 23.239 ( -6.328 0.000 -0.841) 6.383 23.398 ( -0.505 0.000 1.311) 1.405 23.446 ( -0.267 0.000 7.878) 7.883 23.473 ( -3.461 0.000 3.698) 5.065 23.618 ( -3.307 0.000 8.995) 9.583 23.761 ( -2.535 0.000 14.095) 14.321 23.810 ( -4.801 0.000 7.562) 8.957 24.039 ( -1.888 0.000 8.159) 8.375 24.100 ( 9.113 0.000 3.119) 9.632 24.322 ( -14.247 0.000 12.071) 18.673 24.525 ( -1.571 0.000 4.860) 5.108 24.727 ( 1.841 0.000 1.631) 2.460 24.869 ( 0.156 0.000 -4.554) 4.557 24.935 ( -0.598 0.000 0.967) 1.137 24.976 ( -2.249 0.000 -3.908) 4.509 25.257 ( 3.968 0.000 -4.146) 5.739 ======================= Grid point 27 (12/63) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 5.475 0.000 10.366) 11.723 0.829 ( 10.299 0.000 12.117) 15.902 1.044 ( -4.877 0.000 -0.373) 4.891 1.144 ( 2.830 0.000 -3.374) 4.403 1.403 ( 0.530 0.000 4.961) 4.989 1.514 ( -7.621 0.000 9.292) 12.017 1.540 ( -6.175 0.000 3.706) 7.202 1.562 ( 1.743 0.000 5.429) 5.702 1.575 ( 3.355 0.000 -0.580) 3.405 1.729 ( -3.782 0.000 5.582) 6.743 1.769 ( 1.277 0.000 -0.547) 1.390 1.776 ( 1.118 0.000 7.376) 7.460 1.808 ( -1.347 0.000 2.783) 3.092 1.880 ( -6.307 0.000 1.305) 6.440 1.915 ( 15.875 0.000 4.960) 16.632 1.971 ( -0.706 0.000 4.756) 4.808 2.030 ( -1.310 0.000 3.828) 4.046 2.174 ( 3.061 0.000 7.005) 7.645 2.241 ( -1.220 0.000 3.649) 3.848 2.360 ( -4.351 0.000 9.398) 10.356 2.367 ( -6.922 0.000 -1.169) 7.020 2.488 ( 2.341 0.000 8.169) 8.498 2.510 ( 14.312 0.000 0.418) 14.319 2.549 ( 6.365 0.000 2.753) 6.935 2.569 ( 0.483 0.000 1.438) 1.517 2.595 ( -0.870 0.000 5.839) 5.903 2.626 ( 0.247 0.000 -2.321) 2.334 2.718 ( -1.029 0.000 1.261) 1.627 2.784 ( -9.407 0.000 -1.896) 9.596 2.831 ( -0.985 0.000 5.747) 5.831 2.911 ( -1.144 0.000 -0.269) 1.175 2.970 ( -5.195 0.000 3.823) 6.450 2.995 ( 6.678 0.000 0.375) 6.689 3.061 ( -0.431 0.000 6.418) 6.433 3.200 ( 2.184 0.000 3.162) 3.843 3.216 ( -7.739 0.000 2.818) 8.236 3.365 ( 5.363 0.000 2.097) 5.759 3.391 ( -0.574 0.000 -2.525) 2.589 3.457 ( 2.554 0.000 0.186) 2.560 3.684 ( 0.128 0.000 0.178) 0.219 3.731 ( -3.566 0.000 3.564) 5.042 3.753 ( 1.265 0.000 0.326) 1.307 3.805 ( -6.030 0.000 5.732) 8.319 3.873 ( -2.960 0.000 0.587) 3.017 3.933 ( -7.638 0.000 -3.710) 8.492 4.019 ( 0.328 0.000 -1.245) 1.287 4.188 ( -2.948 0.000 3.337) 4.453 4.274 ( 6.726 0.000 -1.860) 6.978 4.402 ( -0.080 0.000 3.289) 3.290 4.419 ( 2.088 0.000 -0.119) 2.091 4.420 ( 0.102 0.000 0.622) 0.630 4.672 ( 5.170 0.000 -2.644) 5.807 4.856 ( -3.495 0.000 -8.100) 8.822 4.907 ( -2.216 0.000 2.095) 3.050 5.002 ( -2.473 0.000 -0.242) 2.485 5.031 ( 0.643 0.000 2.278) 2.367 5.057 ( 0.226 0.000 6.646) 6.650 5.069 ( -0.730 0.000 -1.271) 1.466 5.243 ( 2.195 0.000 -5.177) 5.623 5.269 ( -2.165 0.000 -1.131) 2.442 5.532 ( -1.738 0.000 4.870) 5.171 5.579 ( -0.523 0.000 -1.735) 1.812 5.670 ( -0.429 0.000 2.307) 2.346 5.694 ( -2.011 0.000 -1.208) 2.345 5.895 ( 1.260 0.000 0.053) 1.261 5.933 ( 3.720 0.000 -1.861) 4.160 5.949 ( -1.676 0.000 -0.398) 1.722 6.127 ( 6.318 0.000 -6.329) 8.943 6.293 ( 2.943 0.000 -1.967) 3.540 6.309 ( -2.154 0.000 -2.136) 3.034 6.743 ( 0.576 0.000 2.450) 2.517 6.883 ( 0.965 0.000 -0.306) 1.012 6.937 ( -2.646 0.000 0.607) 2.715 7.073 ( 1.865 0.000 0.923) 2.081 7.182 ( -0.996 0.000 0.408) 1.076 7.265 ( -0.329 0.000 4.071) 4.084 7.407 ( 0.003 0.000 -2.857) 2.857 7.516 ( 3.640 0.000 2.834) 4.613 7.788 ( -1.543 0.000 3.095) 3.458 8.040 ( 0.830 0.000 0.135) 0.840 8.043 ( 0.007 0.000 0.754) 0.754 8.310 ( 1.490 0.000 -4.922) 5.143 8.511 ( -0.447 0.000 -0.720) 0.848 8.512 ( 0.982 0.000 -11.698) 11.739 8.680 ( 0.671 0.000 -7.322) 7.353 8.817 ( -1.235 0.000 1.364) 1.840 8.823 ( -0.724 0.000 -5.607) 5.653 8.849 ( 1.881 0.000 -10.170) 10.343 9.610 ( 1.080 0.000 -8.224) 8.295 9.759 ( -0.494 0.000 -0.907) 1.033 9.820 ( 0.708 0.000 -4.168) 4.228 10.047 ( -0.776 0.000 0.406) 0.876 10.099 ( 0.584 0.000 -4.228) 4.269 10.454 ( -2.631 0.000 13.357) 13.614 10.492 ( -1.352 0.000 0.083) 1.355 11.096 ( 0.655 0.000 0.274) 0.710 11.199 ( 3.072 0.000 -10.530) 10.969 11.215 ( 1.221 0.000 -1.542) 1.967 11.481 ( -2.358 0.000 2.753) 3.625 11.513 ( -1.767 0.000 -0.674) 1.891 11.720 ( 1.787 0.000 -8.919) 9.096 11.822 ( 2.226 0.000 -4.363) 4.898 11.847 ( -0.070 0.000 2.343) 2.344 12.009 ( 1.195 0.000 -2.122) 2.436 12.051 ( -0.380 0.000 -8.444) 8.452 12.183 ( 1.054 0.000 -1.587) 1.905 12.363 ( -1.603 0.000 1.739) 2.365 12.414 ( -1.576 0.000 -1.207) 1.985 12.642 ( -0.535 0.000 5.271) 5.298 12.758 ( 2.946 0.000 -1.967) 3.542 12.825 ( 0.300 0.000 -1.234) 1.270 12.912 ( 0.841 0.000 -1.501) 1.720 13.089 ( 0.753 0.000 -4.267) 4.333 13.250 ( -0.668 0.000 -0.419) 0.789 13.342 ( 0.163 0.000 3.177) 3.181 13.546 ( -2.808 0.000 7.529) 8.036 13.578 ( -3.115 0.000 -4.158) 5.195 13.822 ( -0.269 0.000 3.554) 3.564 14.145 ( 3.677 0.000 -7.167) 8.055 14.259 ( 0.883 0.000 0.993) 1.329 14.395 ( 1.128 0.000 4.946) 5.074 14.509 ( -0.539 0.000 5.183) 5.211 14.516 ( -0.503 0.000 2.324) 2.377 14.640 ( 4.806 0.000 3.429) 5.904 21.425 ( 0.268 0.000 -0.750) 0.796 21.534 ( 0.573 0.000 -1.777) 1.867 21.839 ( 3.289 0.000 -0.569) 3.338 21.845 ( 0.190 0.000 -1.599) 1.610 21.927 ( -1.998 0.000 -0.761) 2.138 22.163 ( -0.300 0.000 -3.440) 3.453 22.230 ( 1.163 0.000 -1.501) 1.899 22.652 ( 1.631 0.000 -2.839) 3.274 22.669 ( 1.154 0.000 -4.118) 4.277 22.722 ( -1.728 0.000 -8.705) 8.874 22.755 ( 1.284 0.000 -3.097) 3.352 22.861 ( 1.782 0.000 -7.323) 7.537 22.967 ( 4.383 0.000 -8.361) 9.440 23.055 ( -5.344 0.000 -0.420) 5.361 23.093 ( 2.999 0.000 -5.342) 6.126 23.093 ( -2.199 0.000 -0.117) 2.202 23.266 ( 3.369 0.000 -4.907) 5.953 23.394 ( 0.875 0.000 6.592) 6.649 23.428 ( -1.099 0.000 -1.334) 1.728 23.445 ( -2.239 0.000 6.096) 6.494 23.588 ( -2.083 0.000 8.384) 8.639 23.766 ( -1.215 0.000 15.012) 15.061 23.783 ( -0.933 0.000 10.140) 10.183 24.012 ( -2.720 0.000 5.789) 6.396 24.077 ( -9.741 0.000 14.791) 17.710 24.245 ( 3.401 0.000 3.498) 4.879 24.577 ( 1.771 0.000 -2.196) 2.821 24.770 ( 1.092 0.000 1.477) 1.837 24.883 ( 2.526 0.000 -3.834) 4.591 24.908 ( -2.515 0.000 -3.415) 4.241 24.924 ( -0.438 0.000 0.693) 0.820 25.284 ( 0.418 0.000 -3.758) 3.781 ======================= Grid point 28 (13/63) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -13.091 0.000 5.792) 14.315 1.029 ( 0.603 0.000 7.276) 7.301 1.061 ( 4.235 0.000 1.304) 4.431 1.160 ( -10.581 0.000 6.165) 12.246 1.354 ( 9.777 0.000 0.570) 9.794 1.438 ( -0.457 0.000 8.863) 8.875 1.540 ( 0.988 0.000 0.052) 0.990 1.551 ( -2.199 0.000 3.262) 3.934 1.670 ( 2.918 0.000 1.209) 3.159 1.705 ( -0.808 0.000 6.297) 6.349 1.794 ( -0.717 0.000 0.029) 0.718 1.811 ( 1.904 0.000 3.330) 3.836 1.838 ( 2.205 0.000 8.982) 9.249 1.851 ( 3.045 0.000 1.455) 3.375 1.877 ( -13.939 0.000 5.295) 14.911 1.992 ( 0.423 0.000 4.572) 4.591 2.100 ( -13.160 0.000 5.023) 14.086 2.121 ( -1.294 0.000 9.806) 9.891 2.223 ( -0.554 0.000 7.495) 7.515 2.258 ( -2.820 0.000 1.094) 3.024 2.267 ( -3.098 0.000 0.276) 3.110 2.350 ( -5.740 0.000 -0.067) 5.741 2.438 ( -12.532 0.000 -1.305) 12.600 2.580 ( 1.799 0.000 4.350) 4.707 2.614 ( -0.405 0.000 4.399) 4.418 2.622 ( 2.801 0.000 1.524) 3.189 2.702 ( -1.450 0.000 2.091) 2.545 2.754 ( 3.043 0.000 3.209) 4.422 2.792 ( -3.299 0.000 4.994) 5.985 2.844 ( -2.733 0.000 -0.201) 2.741 2.926 ( -3.280 0.000 5.639) 6.523 2.978 ( 15.553 0.000 2.698) 15.785 2.994 ( -6.142 0.000 0.906) 6.209 3.105 ( 0.689 0.000 6.487) 6.524 3.216 ( 10.261 0.000 1.601) 10.386 3.263 ( -3.036 0.000 3.291) 4.477 3.325 ( -0.165 0.000 1.279) 1.290 3.511 ( -2.322 0.000 2.450) 3.376 3.511 ( 1.449 0.000 1.953) 2.432 3.612 ( 3.991 0.000 -3.669) 5.421 3.681 ( 0.396 0.000 -2.550) 2.581 3.724 ( -2.890 0.000 1.026) 3.067 3.727 ( -2.006 0.000 6.360) 6.669 3.877 ( 1.850 0.000 0.244) 1.866 3.955 ( 8.595 0.000 -1.832) 8.788 4.053 ( 2.564 0.000 -0.173) 2.570 4.181 ( -0.409 0.000 4.025) 4.046 4.344 ( -7.760 0.000 2.007) 8.015 4.370 ( 2.831 0.000 -2.232) 3.605 4.414 ( -1.174 0.000 1.927) 2.257 4.465 ( 1.517 0.000 2.096) 2.588 4.737 ( 0.581 0.000 -7.369) 7.391 4.750 ( -7.761 0.000 -3.748) 8.619 4.808 ( 1.567 0.000 -3.015) 3.398 4.893 ( -4.612 0.000 -1.291) 4.789 5.025 ( 0.140 0.000 0.414) 0.437 5.062 ( -1.283 0.000 4.094) 4.290 5.135 ( 2.163 0.000 3.072) 3.757 5.305 ( 3.951 0.000 -1.529) 4.236 5.314 ( 4.781 0.000 0.382) 4.796 5.492 ( -3.041 0.000 2.043) 3.663 5.578 ( 1.652 0.000 -2.561) 3.048 5.643 ( -0.471 0.000 -0.243) 0.530 5.716 ( 2.093 0.000 0.357) 2.123 5.843 ( -4.571 0.000 0.259) 4.578 5.945 ( 1.002 0.000 -2.541) 2.732 5.950 ( -1.524 0.000 -2.247) 2.715 6.194 ( 1.876 0.000 -6.239) 6.515 6.318 ( -0.832 0.000 0.139) 0.843 6.322 ( 3.352 0.000 -1.436) 3.647 6.743 ( -1.559 0.000 3.245) 3.600 6.903 ( -0.093 0.000 0.485) 0.494 6.920 ( 2.031 0.000 1.581) 2.574 7.087 ( -0.956 0.000 1.111) 1.465 7.158 ( -1.070 0.000 0.441) 1.157 7.279 ( 0.394 0.000 3.624) 3.645 7.370 ( -2.790 0.000 -1.942) 3.399 7.589 ( 1.500 0.000 3.879) 4.159 7.774 ( -0.439 0.000 2.544) 2.582 8.045 ( -0.015 0.000 0.783) 0.783 8.051 ( 0.353 0.000 0.102) 0.367 8.331 ( 1.465 0.000 -4.458) 4.692 8.495 ( -0.437 0.000 -2.035) 2.081 8.509 ( 2.101 0.000 -11.829) 12.015 8.690 ( 2.311 0.000 -7.117) 7.483 8.792 ( -0.144 0.000 -6.895) 6.897 8.803 ( -0.267 0.000 1.096) 1.128 8.849 ( 0.999 0.000 -9.646) 9.697 9.586 ( -0.952 0.000 -7.136) 7.199 9.750 ( -0.191 0.000 -2.630) 2.637 9.808 ( -0.370 0.000 -4.849) 4.863 10.047 ( 0.545 0.000 0.792) 0.961 10.114 ( 1.632 0.000 -3.688) 4.033 10.443 ( -2.047 0.000 12.222) 12.392 10.486 ( 0.852 0.000 -0.071) 0.855 11.093 ( -0.202 0.000 -1.252) 1.268 11.222 ( -0.221 0.000 -0.810) 0.840 11.255 ( 4.116 0.000 -9.196) 10.075 11.404 ( -4.470 0.000 1.195) 4.627 11.485 ( -0.185 0.000 -2.992) 2.997 11.754 ( 2.120 0.000 -4.802) 5.249 11.844 ( 0.883 0.000 -4.309) 4.399 11.892 ( 4.181 0.000 1.634) 4.489 11.969 ( -3.217 0.000 -1.512) 3.554 12.070 ( 3.005 0.000 -5.974) 6.687 12.183 ( -0.695 0.000 -1.894) 2.018 12.311 ( -3.265 0.000 0.505) 3.303 12.422 ( 2.918 0.000 -2.332) 3.735 12.653 ( 0.116 0.000 5.484) 5.485 12.828 ( 0.335 0.000 -1.176) 1.223 12.837 ( 4.397 0.000 2.277) 4.952 12.924 ( 0.414 0.000 -0.837) 0.934 13.031 ( -4.691 0.000 -4.420) 6.445 13.213 ( -0.651 0.000 -5.545) 5.583 13.326 ( -1.972 0.000 2.079) 2.865 13.555 ( 2.173 0.000 -4.894) 5.355 13.587 ( 2.850 0.000 8.914) 9.359 13.824 ( -0.556 0.000 3.771) 3.812 14.177 ( 1.116 0.000 -5.607) 5.717 14.276 ( 0.188 0.000 1.086) 1.102 14.425 ( -0.115 0.000 5.778) 5.779 14.492 ( -2.488 0.000 5.034) 5.615 14.502 ( -1.077 0.000 1.688) 2.002 14.715 ( 1.357 0.000 4.548) 4.746 21.425 ( -0.044 0.000 -0.613) 0.614 21.544 ( 0.739 0.000 -1.184) 1.395 21.789 ( -5.383 0.000 -2.537) 5.951 21.841 ( -0.315 0.000 -1.800) 1.827 21.928 ( 1.419 0.000 -0.835) 1.646 22.160 ( 1.231 0.000 -3.566) 3.772 22.298 ( 3.159 0.000 0.622) 3.219 22.620 ( -4.529 0.000 -11.826) 12.663 22.673 ( 0.325 0.000 -2.309) 2.331 22.675 ( 1.519 0.000 -4.413) 4.668 22.762 ( 0.906 0.000 1.448) 1.708 22.855 ( -1.415 0.000 -6.958) 7.100 22.987 ( -0.415 0.000 -4.937) 4.954 23.068 ( 8.069 0.000 -1.985) 8.310 23.085 ( 0.913 0.000 -1.494) 1.751 23.135 ( 1.631 0.000 -7.257) 7.438 23.279 ( 1.610 0.000 -3.854) 4.177 23.399 ( -3.124 0.000 5.177) 6.047 23.399 ( -1.112 0.000 -2.495) 2.731 23.497 ( 4.230 0.000 6.188) 7.496 23.578 ( -1.204 0.000 8.187) 8.275 23.798 ( -1.770 0.000 12.675) 12.798 23.802 ( -0.655 0.000 18.433) 18.445 23.968 ( -1.973 0.000 1.976) 2.792 24.020 ( 1.186 0.000 14.143) 14.193 24.271 ( -2.147 0.000 4.673) 5.143 24.542 ( -4.014 0.000 -4.179) 5.794 24.763 ( -1.971 0.000 0.964) 2.194 24.857 ( -0.168 0.000 -4.508) 4.511 24.932 ( 0.694 0.000 1.300) 1.474 24.957 ( 4.048 0.000 -1.782) 4.423 25.264 ( -0.973 0.000 -4.885) 4.981 ======================= Grid point 29 (14/63) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -13.061 0.000 10.195) 16.569 0.663 ( -23.790 0.000 8.071) 25.122 1.106 ( -0.693 0.000 0.435) 0.818 1.189 ( -12.470 0.000 16.806) 20.927 1.407 ( -3.309 0.000 14.617) 14.987 1.413 ( -9.814 0.000 11.343) 14.999 1.512 ( 1.725 0.000 1.043) 2.015 1.565 ( -0.390 0.000 2.129) 2.165 1.567 ( 0.330 0.000 1.659) 1.692 1.701 ( -2.317 0.000 -4.648) 5.193 1.743 ( 3.647 0.000 5.144) 6.305 1.793 ( -1.743 0.000 2.695) 3.210 1.869 ( 2.050 0.000 -2.496) 3.230 1.914 ( 3.911 0.000 8.842) 9.669 1.946 ( 3.086 0.000 5.232) 6.074 2.009 ( 1.245 0.000 -1.371) 1.852 2.022 ( 0.266 0.000 3.761) 3.771 2.056 ( -4.162 0.000 14.481) 15.068 2.152 ( -4.843 0.000 -1.721) 5.140 2.241 ( -0.084 0.000 10.798) 10.798 2.247 ( 1.663 0.000 3.236) 3.638 2.287 ( -1.378 0.000 3.273) 3.551 2.310 ( 1.153 0.000 -1.941) 2.258 2.551 ( -2.673 0.000 0.620) 2.744 2.598 ( -2.784 0.000 5.898) 6.522 2.665 ( -3.365 0.000 4.572) 5.677 2.686 ( -3.936 0.000 8.779) 9.621 2.750 ( -2.971 0.000 1.654) 3.400 2.784 ( 2.243 0.000 6.491) 6.867 2.829 ( -2.164 0.000 1.922) 2.894 2.857 ( -0.987 0.000 0.430) 1.077 2.865 ( -1.799 0.000 1.090) 2.103 3.068 ( -9.990 0.000 -0.085) 9.990 3.101 ( 2.923 0.000 0.460) 2.960 3.301 ( 4.673 0.000 3.912) 6.094 3.351 ( -0.205 0.000 2.033) 2.043 3.452 ( 10.795 0.000 -0.764) 10.822 3.487 ( 3.771 0.000 0.614) 3.821 3.559 ( 4.400 0.000 11.392) 12.212 3.629 ( -1.543 0.000 -2.681) 3.093 3.701 ( 1.684 0.000 -2.875) 3.331 3.741 ( 0.480 0.000 2.991) 3.029 3.842 ( 2.544 0.000 1.938) 3.197 3.925 ( 6.796 0.000 -3.311) 7.559 4.081 ( -9.430 0.000 0.931) 9.476 4.094 ( -0.301 0.000 -0.587) 0.660 4.110 ( -7.857 0.000 1.213) 7.950 4.122 ( 1.826 0.000 -0.806) 1.996 4.405 ( 1.536 0.000 2.628) 3.044 4.414 ( 1.394 0.000 -0.852) 1.634 4.470 ( -1.721 0.000 -1.938) 2.592 4.603 ( -4.990 0.000 -3.955) 6.367 4.699 ( -2.739 0.000 -7.241) 7.742 4.793 ( -3.675 0.000 5.137) 6.316 4.909 ( 8.796 0.000 -6.349) 10.848 4.990 ( -3.511 0.000 2.648) 4.398 5.097 ( 2.311 0.000 1.383) 2.693 5.192 ( 3.382 0.000 -2.575) 4.251 5.373 ( -0.068 0.000 0.014) 0.069 5.383 ( 0.075 0.000 1.379) 1.381 5.446 ( 0.760 0.000 1.751) 1.908 5.632 ( 3.246 0.000 -3.030) 4.441 5.643 ( 0.067 0.000 -3.603) 3.603 5.760 ( -2.805 0.000 0.743) 2.901 5.768 ( 2.747 0.000 -1.031) 2.934 5.887 ( -2.891 0.000 -2.042) 3.539 5.949 ( 0.144 0.000 -2.012) 2.017 6.104 ( -9.576 0.000 -12.441) 15.700 6.246 ( -6.621 0.000 2.240) 6.989 6.403 ( 3.684 0.000 -1.048) 3.831 6.711 ( -1.446 0.000 1.381) 1.999 6.947 ( -0.806 0.000 -0.351) 0.879 6.956 ( 4.362 0.000 4.574) 6.321 7.049 ( -2.253 0.000 2.704) 3.519 7.147 ( 0.034 0.000 0.159) 0.163 7.295 ( -0.192 0.000 3.286) 3.292 7.308 ( -1.385 0.000 -1.383) 1.957 7.594 ( -2.139 0.000 4.373) 4.868 7.784 ( 0.642 0.000 1.826) 1.935 8.045 ( -0.305 0.000 1.052) 1.095 8.056 ( -0.110 0.000 -2.019) 2.022 8.329 ( -0.697 0.000 -2.588) 2.681 8.488 ( 0.461 0.000 -2.118) 2.167 8.519 ( 2.126 0.000 -11.515) 11.710 8.722 ( 2.318 0.000 -7.685) 8.027 8.787 ( 2.271 0.000 -8.090) 8.403 8.815 ( 0.898 0.000 1.481) 1.732 8.837 ( 0.833 0.000 -9.394) 9.431 9.514 ( -3.957 0.000 -7.606) 8.574 9.725 ( -1.205 0.000 -1.675) 2.064 9.782 ( -0.356 0.000 -4.756) 4.769 10.067 ( 0.986 0.000 -0.027) 0.987 10.135 ( 1.198 0.000 -3.471) 3.672 10.442 ( -1.545 0.000 11.727) 11.829 10.524 ( 2.350 0.000 -0.211) 2.360 11.084 ( -0.354 0.000 -2.906) 2.927 11.207 ( -0.918 0.000 0.128) 0.927 11.266 ( -1.741 0.000 -6.162) 6.403 11.360 ( 2.083 0.000 -3.648) 4.201 11.488 ( 1.825 0.000 -6.146) 6.411 11.774 ( 0.520 0.000 0.946) 1.079 11.833 ( -0.693 0.000 1.326) 1.496 11.922 ( 0.273 0.000 -3.729) 3.739 12.017 ( 6.172 0.000 -0.486) 6.191 12.109 ( 2.127 0.000 -3.068) 3.734 12.129 ( -4.059 0.000 -3.673) 5.475 12.252 ( -1.269 0.000 1.595) 2.038 12.505 ( 4.382 0.000 -1.533) 4.642 12.682 ( 0.792 0.000 4.477) 4.547 12.831 ( 0.105 0.000 -0.819) 0.826 12.899 ( -4.487 0.000 -3.580) 5.740 12.924 ( -0.164 0.000 -0.127) 0.207 12.943 ( 2.671 0.000 1.309) 2.974 13.197 ( 1.200 0.000 -7.674) 7.768 13.288 ( -1.546 0.000 -0.671) 1.685 13.627 ( 5.607 0.000 -5.226) 7.665 13.705 ( 5.780 0.000 11.298) 12.690 13.826 ( -0.320 0.000 5.645) 5.655 14.148 ( -3.267 0.000 -0.438) 3.297 14.267 ( -1.165 0.000 0.815) 1.421 14.418 ( -2.083 0.000 5.271) 5.667 14.454 ( -1.540 0.000 3.477) 3.803 14.491 ( -0.262 0.000 0.930) 0.966 14.721 ( -3.463 0.000 -1.358) 3.719 21.422 ( -0.019 0.000 -0.133) 0.134 21.556 ( 0.463 0.000 -0.835) 0.955 21.678 ( -3.589 0.000 -0.753) 3.667 21.815 ( -1.385 0.000 -2.002) 2.434 21.949 ( 0.876 0.000 -1.568) 1.796 22.194 ( 2.389 0.000 -2.249) 3.281 22.316 ( -0.708 0.000 -1.890) 2.018 22.455 ( -7.548 0.000 -11.149) 13.463 22.673 ( 0.221 0.000 -1.346) 1.364 22.683 ( 0.883 0.000 -6.406) 6.466 22.789 ( -1.763 0.000 -4.124) 4.484 22.839 ( 3.428 0.000 -0.433) 3.455 22.920 ( -3.621 0.000 -11.065) 11.643 23.105 ( -0.971 0.000 -11.082) 11.124 23.131 ( 4.070 0.000 -1.078) 4.210 23.223 ( 1.892 0.000 -1.314) 2.304 23.320 ( 0.783 0.000 -1.246) 1.472 23.369 ( -0.016 0.000 -2.493) 2.493 23.408 ( 4.188 0.000 5.776) 7.134 23.565 ( 0.006 0.000 5.907) 5.907 23.604 ( 2.826 0.000 7.428) 7.947 23.767 ( -4.319 0.000 11.826) 12.590 23.827 ( -2.565 0.000 16.433) 16.632 23.955 ( 0.001 0.000 0.883) 0.883 24.188 ( -6.897 0.000 7.069) 9.876 24.286 ( 19.561 0.000 22.367) 29.714 24.417 ( -4.323 0.000 -2.337) 4.914 24.717 ( -1.967 0.000 1.008) 2.210 24.865 ( 1.658 0.000 -4.654) 4.941 24.945 ( -0.058 0.000 1.749) 1.750 25.021 ( 2.078 0.000 -2.198) 3.024 25.206 ( -3.363 0.000 -7.268) 8.008 ======================= Grid point 30 (15/63) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -6.293 16.250 8.415) 19.352 0.639 ( 2.494 15.326 14.183) 21.030 0.993 ( -9.713 11.555 28.986) 32.681 1.127 ( -2.039 -0.914 9.022) 9.295 1.222 ( -2.767 -8.750 2.017) 9.396 1.328 ( -0.440 -1.787 5.398) 5.703 1.479 ( -0.059 -3.341 1.976) 3.882 1.562 ( -2.962 -0.401 -0.471) 3.025 1.612 ( 1.878 -3.146 0.375) 3.684 1.684 ( -3.494 2.251 3.336) 5.329 1.762 ( 0.865 -5.846 -2.095) 6.270 1.823 ( 1.951 0.525 1.868) 2.751 1.869 ( 1.657 3.370 1.087) 3.909 1.904 ( -0.595 -1.205 6.602) 6.738 1.950 ( 0.883 -1.590 1.654) 2.458 2.023 ( -1.386 5.184 3.668) 6.500 2.102 ( 1.392 1.505 7.139) 7.427 2.164 ( -4.373 -2.646 6.676) 8.408 2.198 ( -1.188 3.723 5.505) 6.752 2.241 ( -2.337 -2.343 -0.356) 3.328 2.275 ( 4.149 1.269 6.639) 7.931 2.347 ( -0.698 0.781 1.397) 1.746 2.361 ( 5.996 2.634 4.746) 8.088 2.397 ( -2.976 -1.696 4.541) 5.688 2.527 ( 0.085 1.134 -0.234) 1.161 2.544 ( -3.775 -3.083 12.034) 12.983 2.635 ( 1.621 -2.314 6.896) 7.452 2.748 ( -1.399 -0.063 0.786) 1.606 2.782 ( -0.541 -2.638 3.195) 4.178 2.802 ( 0.606 4.667 0.719) 4.761 2.892 ( 0.760 1.497 -0.289) 1.703 2.929 ( 0.335 2.629 2.424) 3.591 2.992 ( -1.006 -1.383 1.047) 2.005 3.131 ( -3.464 2.550 -1.692) 4.622 3.242 ( -1.594 -0.746 1.280) 2.176 3.388 ( -3.997 -3.751 4.137) 6.867 3.456 ( -2.478 -0.545 -0.537) 2.593 3.570 ( -3.838 0.224 -2.192) 4.426 3.603 ( 3.929 -4.096 -0.414) 5.691 3.647 ( -0.941 -0.087 0.450) 1.047 3.657 ( -1.456 -2.745 -0.164) 3.111 3.777 ( 8.916 -5.305 3.238) 10.869 3.818 ( -4.567 1.574 1.515) 5.062 3.937 ( -3.372 -1.950 2.317) 4.533 3.965 ( 6.011 1.271 0.308) 6.151 4.055 ( 1.403 0.883 -1.373) 2.153 4.130 ( 0.232 0.280 0.777) 0.858 4.248 ( -2.240 -2.242 -0.081) 3.170 4.319 ( 4.332 -3.551 -1.892) 5.912 4.399 ( 1.803 -1.505 2.426) 3.376 4.540 ( 1.469 3.078 -3.542) 4.918 4.566 ( -0.730 1.654 -0.227) 1.822 4.708 ( -1.410 8.026 1.768) 8.338 4.729 ( 3.787 -1.660 -1.969) 4.580 4.927 ( -2.423 -1.785 2.989) 4.242 4.971 ( -0.609 -5.781 -0.199) 5.816 5.230 ( 9.561 2.060 -2.517) 10.099 5.258 ( -0.153 -0.768 -5.954) 6.005 5.298 ( -3.781 4.718 -1.555) 6.243 5.351 ( -2.247 2.455 -1.855) 3.810 5.522 ( 4.662 -1.824 -0.393) 5.021 5.574 ( 0.511 -0.455 -0.033) 0.685 5.615 ( -3.106 1.497 1.475) 3.750 5.754 ( -0.416 1.740 0.327) 1.819 5.787 ( -5.333 0.192 1.433) 5.525 5.799 ( -1.395 -5.908 -0.541) 6.095 5.862 ( 1.935 2.741 -0.029) 3.355 5.958 ( -0.540 -0.423 0.829) 1.076 6.205 ( -0.083 7.038 2.828) 7.586 6.447 ( -0.414 -1.715 -1.222) 2.146 6.720 ( 1.001 3.574 -0.628) 3.764 6.894 ( -0.075 -0.480 -1.165) 1.263 6.987 ( -1.144 -2.221 4.335) 5.003 7.023 ( -2.042 -2.311 5.743) 6.519 7.167 ( 1.746 -0.238 0.649) 1.878 7.213 ( -1.253 -0.986 1.326) 2.074 7.386 ( 1.284 0.898 -2.472) 2.927 7.508 ( -3.640 -3.079 1.493) 4.996 7.877 ( -0.269 7.018 2.367) 7.411 8.000 ( 0.312 1.090 -0.146) 1.143 8.040 ( -1.239 -0.657 0.571) 1.515 8.256 ( -0.015 -5.195 -1.290) 5.353 8.500 ( 0.723 0.747 -2.930) 3.109 8.553 ( 0.599 -0.008 -9.233) 9.252 8.737 ( 1.254 1.059 -8.659) 8.813 8.807 ( 1.724 -1.207 -8.878) 9.124 8.833 ( 1.603 -0.306 -3.907) 4.234 8.847 ( 1.900 -0.424 -2.863) 3.462 9.493 ( 2.670 2.687 -2.639) 4.616 9.664 ( 2.302 -4.131 -1.082) 4.851 9.846 ( 0.453 4.801 -2.760) 5.556 10.043 ( -0.036 -3.430 -1.388) 3.701 10.176 ( -0.056 3.346 -1.789) 3.795 10.369 ( -0.943 -4.986 5.803) 7.709 10.681 ( 0.173 8.573 3.962) 9.446 11.028 ( 0.426 -3.570 -2.184) 4.207 11.186 ( -1.149 0.121 -3.100) 3.308 11.245 ( -1.106 1.076 -3.157) 3.514 11.348 ( 4.185 -3.965 -4.048) 7.045 11.475 ( 2.134 -3.340 -5.039) 6.411 11.712 ( -1.679 -0.853 1.073) 2.168 11.852 ( -0.392 -4.372 -8.345) 9.429 11.947 ( -0.549 3.540 -2.804) 4.550 12.064 ( 1.580 -1.773 -6.071) 6.519 12.171 ( -0.893 1.218 0.209) 1.525 12.200 ( -3.360 1.205 -0.162) 3.573 12.349 ( 6.454 9.233 -6.112) 12.817 12.606 ( 1.609 0.861 -2.889) 3.417 12.691 ( -2.919 3.676 -0.043) 4.695 12.744 ( -4.307 -0.465 0.022) 4.332 12.834 ( 2.584 -0.399 -1.074) 2.827 12.894 ( 0.089 -2.074 -0.501) 2.136 12.953 ( 0.148 0.847 -0.176) 0.878 13.070 ( 1.289 -5.773 1.556) 6.117 13.436 ( 0.630 6.371 -6.189) 8.905 13.643 ( 1.841 -5.370 -4.387) 7.174 13.855 ( 0.539 3.700 4.300) 5.698 13.982 ( 6.339 -3.256 9.935) 12.227 14.062 ( -1.753 -0.052 2.256) 2.857 14.117 ( -15.223 -4.411 6.367) 17.080 14.293 ( -3.983 2.337 3.020) 5.518 14.384 ( -0.368 -1.804 5.516) 5.815 14.469 ( 0.409 0.948 2.573) 2.773 14.496 ( 0.258 -0.151 1.205) 1.242 21.439 ( -0.010 1.790 -0.331) 1.821 21.538 ( 0.182 -1.928 -0.603) 2.028 21.796 ( -2.443 2.777 -2.863) 4.678 21.883 ( 0.211 -0.696 -1.700) 1.849 22.076 ( 0.831 12.684 -15.387) 19.958 22.244 ( -1.856 1.384 -2.428) 3.355 22.305 ( 1.587 1.252 -3.785) 4.291 22.335 ( 8.563 -0.196 -0.768) 8.599 22.655 ( -0.435 -0.998 -4.166) 4.306 22.694 ( -0.207 -1.630 -5.180) 5.434 22.722 ( 3.036 2.060 -4.635) 5.911 22.832 ( 0.944 -0.710 -9.133) 9.209 22.876 ( -0.644 1.646 -7.691) 7.891 23.008 ( -0.701 -3.064 -11.621) 12.039 23.191 ( -1.676 1.441 0.452) 2.256 23.242 ( 2.491 -0.328 -0.715) 2.612 23.329 ( -3.288 3.838 -0.592) 5.088 23.388 ( 1.338 0.325 1.110) 1.768 23.443 ( -2.559 -1.155 4.310) 5.144 23.504 ( -1.216 -3.030 7.379) 8.069 23.688 ( -3.937 1.149 10.388) 11.168 23.740 ( -2.311 -2.317 9.892) 10.419 23.885 ( 4.447 2.088 2.686) 5.599 23.957 ( 0.647 1.135 5.217) 5.378 24.081 ( -5.239 2.598 13.727) 14.920 24.404 ( -0.190 1.353 2.244) 2.627 24.493 ( 0.652 -15.567 19.749) 25.155 24.647 ( 0.491 -4.456 0.264) 4.491 24.881 ( 0.300 1.943 -3.283) 3.826 24.980 ( 0.230 -2.272 -1.983) 3.024 25.042 ( -3.936 1.888 -2.692) 5.129 25.072 ( 5.085 0.498 -1.638) 5.366 ======================= Grid point 31 (16/63) ======================= q-point: ( 0.20 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 7.593 7.584 12.444) 16.432 0.735 ( 5.752 9.713 16.787) 20.230 1.102 ( 0.252 -4.301 1.793) 4.666 1.181 ( 3.358 -0.749 7.424) 8.182 1.274 ( 15.452 1.005 5.222) 16.341 1.311 ( -3.164 -0.835 7.371) 8.064 1.454 ( -0.472 -0.645 -1.062) 1.329 1.577 ( -0.127 -0.747 1.876) 2.023 1.628 ( -0.731 -3.877 1.434) 4.198 1.650 ( -0.137 3.720 4.082) 5.525 1.758 ( -0.983 -1.968 -0.594) 2.279 1.855 ( -2.543 0.962 5.653) 6.273 1.874 ( -2.867 1.487 4.762) 5.754 1.935 ( 4.486 5.631 3.366) 7.948 1.944 ( -3.925 0.285 2.608) 4.721 2.037 ( -1.387 -0.888 2.356) 2.874 2.063 ( 1.218 1.983 10.918) 11.163 2.132 ( 0.775 1.696 4.738) 5.092 2.157 ( -4.033 2.553 5.566) 7.332 2.255 ( 3.590 0.553 3.591) 5.108 2.302 ( 1.380 -6.502 2.919) 7.260 2.355 ( 1.407 0.994 3.601) 3.992 2.444 ( -0.144 -2.039 5.092) 5.487 2.462 ( 1.037 -0.314 5.292) 5.402 2.529 ( 1.086 -1.935 1.630) 2.754 2.565 ( 0.593 0.448 4.190) 4.255 2.697 ( 2.100 2.835 0.961) 3.656 2.732 ( 1.046 -0.687 3.556) 3.770 2.745 ( -0.769 -2.357 0.589) 2.548 2.884 ( -0.040 2.612 -0.623) 2.686 2.894 ( 2.754 4.505 3.034) 6.090 2.937 ( -2.086 -1.957 0.745) 2.956 3.006 ( 1.817 -2.874 3.308) 4.744 3.069 ( -0.709 -1.240 2.388) 2.782 3.198 ( -3.869 0.249 2.174) 4.445 3.322 ( -2.998 -2.492 2.837) 4.821 3.424 ( -0.548 6.189 -1.489) 6.389 3.459 ( -5.416 2.576 -1.337) 6.144 3.494 ( -5.418 1.948 -0.783) 5.810 3.649 ( -0.841 -1.340 4.917) 5.165 3.686 ( 1.304 -6.663 0.009) 6.789 3.751 ( 0.531 -1.520 0.187) 1.621 3.845 ( -1.842 0.502 -0.095) 1.911 3.955 ( 0.426 -2.366 -3.833) 4.524 4.021 ( 0.115 -0.309 2.880) 2.898 4.049 ( 2.835 -3.945 1.372) 5.048 4.140 ( -1.020 2.297 1.386) 2.870 4.338 ( -1.609 3.999 4.283) 6.076 4.369 ( 1.929 -4.293 -0.717) 4.761 4.408 ( -2.853 3.196 -4.795) 6.430 4.475 ( 2.044 4.248 2.153) 5.182 4.581 ( -0.485 -1.482 2.292) 2.772 4.747 ( 5.769 -2.590 2.295) 6.728 4.831 ( 4.384 -4.242 -0.301) 6.108 4.890 ( -2.350 -4.765 0.733) 5.363 4.974 ( -2.406 -5.364 -3.851) 7.028 5.170 ( 1.152 3.201 -1.264) 3.629 5.233 ( -5.799 1.658 -3.334) 6.892 5.282 ( -1.692 2.868 -5.227) 6.197 5.374 ( -0.938 5.163 0.946) 5.332 5.491 ( -4.939 0.137 0.104) 4.942 5.526 ( -0.501 -3.559 3.208) 4.818 5.722 ( -2.346 -1.734 1.610) 3.333 5.742 ( 2.400 -1.653 0.323) 2.932 5.843 ( 7.399 -1.351 -3.333) 8.227 5.856 ( 11.287 -2.264 -4.878) 12.502 5.888 ( 1.646 2.916 -0.584) 3.399 5.962 ( 0.241 -0.375 1.372) 1.442 6.247 ( 1.793 3.545 -0.095) 3.974 6.393 ( -3.485 -1.664 -2.258) 4.473 6.758 ( 1.944 4.762 0.938) 5.228 6.897 ( 0.299 1.911 -0.938) 2.149 6.977 ( -3.490 -2.698 5.342) 6.928 6.987 ( 0.982 -2.860 2.376) 3.846 7.194 ( -0.084 0.497 0.515) 0.721 7.203 ( 0.376 -3.121 2.307) 3.899 7.403 ( 0.746 -0.669 -3.943) 4.068 7.472 ( 1.034 -0.347 0.619) 1.254 7.865 ( -1.358 5.707 2.647) 6.436 8.016 ( 0.426 0.101 0.748) 0.867 8.043 ( 1.269 0.942 0.010) 1.581 8.255 ( 0.321 -4.739 -1.980) 5.146 8.508 ( 0.738 -0.051 -3.161) 3.247 8.528 ( 0.115 -0.508 -8.515) 8.531 8.729 ( 0.562 2.172 -8.819) 9.100 8.815 ( 1.219 -1.498 -7.437) 7.683 8.838 ( 0.219 0.113 -3.416) 3.425 8.858 ( -0.010 -0.003 -3.450) 3.450 9.575 ( 4.206 0.515 -5.800) 7.183 9.712 ( 1.609 -3.993 -1.419) 4.533 9.856 ( 0.994 3.896 -2.451) 4.708 10.029 ( -0.673 -3.313 -1.543) 3.716 10.158 ( -0.824 3.487 -1.816) 4.017 10.364 ( -1.298 -5.797 6.046) 8.476 10.665 ( -2.637 8.670 4.907) 10.305 11.017 ( -0.654 -4.790 -1.088) 4.955 11.197 ( 2.578 1.522 -3.017) 4.250 11.224 ( 0.655 2.097 -6.603) 6.959 11.416 ( 1.486 -5.096 0.651) 5.348 11.471 ( -0.770 -5.795 -2.258) 6.267 11.707 ( 1.093 0.037 -0.943) 1.444 11.811 ( -0.551 -2.478 -8.399) 8.774 11.923 ( -0.993 4.710 0.723) 4.867 12.058 ( -3.556 1.042 -6.381) 7.379 12.069 ( 0.112 -0.230 -7.159) 7.164 12.150 ( -1.002 -2.340 0.935) 2.711 12.405 ( 0.701 5.358 -4.137) 6.805 12.596 ( -3.396 3.865 -0.406) 5.161 12.662 ( 1.234 3.434 -0.024) 3.649 12.702 ( -0.786 3.633 2.029) 4.235 12.871 ( 0.815 -1.820 -0.152) 2.000 12.893 ( 1.202 2.972 -2.833) 4.278 13.014 ( 3.816 -2.487 -1.476) 4.788 13.112 ( 1.653 -7.025 2.102) 7.517 13.414 ( -0.539 5.900 -1.313) 6.069 13.631 ( -2.391 -4.576 -2.559) 5.763 13.703 ( -10.677 2.005 7.300) 13.088 13.802 ( -5.528 -1.957 5.724) 8.195 14.102 ( 4.711 2.639 -1.802) 5.693 14.217 ( 1.846 -2.277 0.711) 3.017 14.363 ( 4.836 2.718 2.749) 6.192 14.468 ( 6.535 -1.234 4.247) 7.891 14.503 ( 1.989 0.611 3.583) 4.143 14.508 ( 0.345 -0.231 2.135) 2.175 21.440 ( 0.223 1.878 -0.491) 1.954 21.533 ( -0.307 -1.097 -1.231) 1.678 21.753 ( 0.168 1.768 -1.265) 2.181 21.862 ( -0.733 -2.116 -1.079) 2.485 22.014 ( -0.541 7.087 -4.091) 8.201 22.191 ( -1.352 -0.731 -3.369) 3.703 22.299 ( -1.073 4.133 -3.291) 5.391 22.550 ( 4.844 -6.139 -6.159) 9.955 22.651 ( 1.549 0.977 -2.537) 3.129 22.696 ( 0.301 -0.176 -2.327) 2.353 22.781 ( 2.716 1.685 -6.231) 7.002 22.848 ( 0.769 -1.690 -7.260) 7.493 22.884 ( 6.937 2.409 -13.083) 15.003 23.007 ( 4.468 -2.555 -12.373) 13.401 23.137 ( -2.714 1.820 -0.188) 3.273 23.219 ( -5.333 -1.678 -0.824) 5.651 23.261 ( -1.239 3.497 2.163) 4.295 23.394 ( -1.052 -0.944 0.186) 1.425 23.426 ( -0.589 -0.813 6.029) 6.112 23.472 ( -2.981 -0.616 6.297) 6.994 23.637 ( -3.130 1.438 8.753) 9.407 23.702 ( -2.757 -2.623 10.113) 10.806 23.892 ( -2.271 4.666 8.541) 9.994 24.025 ( -1.321 -1.531 7.513) 7.781 24.103 ( 4.767 0.940 6.838) 8.389 24.271 ( -13.453 -4.952 17.048) 22.274 24.524 ( 3.735 1.560 1.471) 4.307 24.683 ( 2.108 -3.744 0.547) 4.331 24.884 ( 0.428 1.369 -3.424) 3.712 24.948 ( -1.536 -0.825 -1.768) 2.483 25.001 ( -0.608 3.666 -2.066) 4.251 25.194 ( 4.303 -4.729 -2.502) 6.865 ======================= Grid point 32 (17/63) ======================= q-point: ( 0.40 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 9.565 5.329 7.612) 13.335 0.936 ( 5.725 7.721 7.847) 12.408 1.145 ( 3.471 3.447 1.151) 5.026 1.211 ( -4.720 8.975 2.418) 10.424 1.290 ( 2.219 -7.799 5.840) 9.993 1.444 ( 1.809 -5.286 -4.105) 6.933 1.485 ( -3.240 -9.257 2.060) 10.022 1.539 ( -0.719 2.018 6.303) 6.657 1.614 ( -4.317 -0.821 7.450) 8.650 1.650 ( -0.244 1.529 5.184) 5.410 1.743 ( -1.377 1.163 4.944) 5.263 1.777 ( -0.829 -1.995 2.105) 3.016 1.884 ( -2.673 2.403 3.068) 4.725 1.912 ( 0.488 0.987 4.444) 4.578 2.005 ( 6.217 4.361 4.757) 8.961 2.044 ( 1.992 8.366 -0.129) 8.600 2.110 ( -2.416 6.589 5.516) 8.926 2.177 ( 1.779 -1.538 3.608) 4.307 2.194 ( 1.381 -1.221 6.288) 6.552 2.286 ( -3.083 -7.414 4.481) 9.195 2.360 ( -1.940 -1.018 10.195) 10.427 2.417 ( 3.099 -3.875 0.288) 4.970 2.482 ( 4.716 -2.152 2.303) 5.673 2.518 ( 3.312 -0.371 2.057) 3.916 2.557 ( -1.579 -1.608 3.888) 4.494 2.581 ( 4.756 -0.832 3.447) 5.933 2.659 ( -6.178 -0.112 1.475) 6.352 2.715 ( -1.692 0.392 -1.095) 2.053 2.785 ( 0.186 -2.177 -1.598) 2.707 2.853 ( -0.710 1.995 0.750) 2.247 2.904 ( -3.382 -3.310 3.897) 6.131 2.925 ( 1.779 -0.086 1.849) 2.567 3.036 ( -3.177 -1.338 4.911) 6.000 3.066 ( -0.966 -5.319 4.638) 7.123 3.121 ( -0.458 5.340 1.784) 5.649 3.278 ( -1.243 2.039 0.373) 2.417 3.357 ( -0.262 2.655 0.260) 2.681 3.461 ( 3.637 4.747 0.685) 6.019 3.483 ( 2.285 3.119 -0.610) 3.914 3.622 ( -2.727 -2.556 2.741) 4.635 3.739 ( 2.800 -5.382 2.298) 6.487 3.755 ( -5.783 2.315 3.119) 6.966 3.850 ( 4.751 1.450 -0.264) 4.974 3.877 ( -3.646 -3.344 0.419) 4.965 3.943 ( -6.431 8.259 0.327) 10.473 4.081 ( -2.059 3.869 -0.035) 4.383 4.187 ( 3.713 -4.683 -0.371) 5.988 4.246 ( 0.758 2.785 0.508) 2.931 4.391 ( 0.133 0.843 2.737) 2.867 4.427 ( -2.352 0.940 2.095) 3.288 4.471 ( 1.030 0.323 0.710) 1.292 4.642 ( 4.203 -3.182 0.024) 5.272 4.768 ( -5.439 -8.088 -0.369) 9.754 4.853 ( -0.371 -2.367 -2.990) 3.831 4.880 ( -1.258 -2.539 -1.821) 3.368 4.977 ( 2.979 -6.163 4.122) 7.991 5.076 ( -4.651 1.152 -1.157) 4.930 5.232 ( 3.290 -1.316 -2.086) 4.112 5.277 ( 2.505 2.178 -5.308) 6.261 5.327 ( -1.349 10.461 3.167) 11.012 5.403 ( -3.002 -1.814 -2.265) 4.175 5.517 ( -1.143 -1.344 3.500) 3.919 5.671 ( -1.596 -1.573 1.186) 2.536 5.770 ( -0.727 0.544 1.619) 1.856 5.911 ( -0.793 0.624 -0.102) 1.014 5.941 ( 0.045 -0.704 -0.425) 0.823 5.949 ( 3.445 1.353 -3.221) 4.906 6.075 ( 6.119 -4.144 -5.259) 9.070 6.271 ( 1.789 -0.610 -1.858) 2.650 6.320 ( -1.737 -0.678 -1.685) 2.513 6.795 ( 0.591 4.887 2.390) 5.472 6.890 ( -0.969 0.325 1.314) 1.665 6.925 ( -1.775 -1.060 3.591) 4.144 7.033 ( 1.499 -3.629 1.337) 4.148 7.196 ( -0.493 0.846 0.859) 1.303 7.211 ( 0.187 -2.576 2.583) 3.653 7.417 ( 1.645 1.121 -3.328) 3.877 7.530 ( 3.318 -0.760 -0.598) 3.456 7.842 ( -1.394 5.556 3.131) 6.528 8.027 ( 0.438 -1.150 0.556) 1.350 8.062 ( 0.164 1.817 0.669) 1.943 8.260 ( 0.863 -4.826 -3.091) 5.795 8.505 ( 0.627 -0.017 -6.850) 6.879 8.517 ( 0.934 -0.006 -6.227) 6.297 8.713 ( 0.485 2.610 -7.150) 7.627 8.798 ( -0.966 -1.123 -2.019) 2.504 8.834 ( -0.089 0.102 -6.305) 6.306 8.843 ( 0.941 -0.207 -7.000) 7.066 9.614 ( 1.128 0.764 -6.013) 6.166 9.716 ( -0.542 -3.098 -1.524) 3.495 9.866 ( 0.737 3.423 -3.476) 4.933 10.016 ( 0.105 -2.713 -1.246) 2.987 10.140 ( -0.047 3.669 -1.759) 4.069 10.354 ( -1.137 -5.506 5.560) 7.907 10.625 ( -2.077 8.474 4.955) 10.034 10.998 ( -0.963 -7.588 0.935) 7.706 11.208 ( 0.982 1.304 -7.843) 8.011 11.273 ( 3.580 3.972 -2.879) 6.073 11.388 ( -2.740 -6.226 2.171) 7.141 11.466 ( -0.514 -4.261 -0.894) 4.384 11.747 ( 3.411 1.114 -3.854) 5.265 11.796 ( 1.149 -1.223 -5.933) 6.166 11.918 ( -0.015 4.980 2.554) 5.597 12.018 ( 1.110 0.728 -6.443) 6.579 12.047 ( -0.324 -0.375 -8.709) 8.723 12.152 ( 0.465 -4.472 1.180) 4.648 12.388 ( -0.131 4.266 -4.051) 5.884 12.531 ( -2.713 7.556 -0.390) 8.038 12.670 ( 0.419 -2.216 0.252) 2.270 12.701 ( -0.541 4.684 4.091) 6.242 12.881 ( 0.555 -2.577 -1.171) 2.885 12.922 ( 1.768 4.901 -1.959) 5.566 13.067 ( 1.631 -2.870 -3.587) 4.875 13.122 ( -1.790 -8.604 1.035) 8.849 13.413 ( -0.233 3.939 1.653) 4.278 13.550 ( -2.758 -2.338 -2.236) 4.251 13.579 ( -2.708 2.913 5.609) 6.876 13.765 ( -0.603 -4.625 3.266) 5.694 14.173 ( 2.788 2.029 -5.132) 6.183 14.239 ( 0.644 -1.385 0.269) 1.551 14.437 ( 1.542 3.082 4.505) 5.672 14.510 ( -0.453 -0.427 2.559) 2.633 14.536 ( 0.363 2.187 4.528) 5.042 14.627 ( 4.416 -1.284 3.596) 5.838 21.444 ( 0.213 1.797 -0.598) 1.906 21.527 ( 0.183 -0.933 -1.420) 1.709 21.772 ( 0.812 -1.320 -1.209) 1.965 21.858 ( 0.373 -4.123 0.015) 4.140 22.012 ( 0.721 8.355 -2.932) 8.884 22.180 ( 0.605 0.388 -2.651) 2.747 22.259 ( -0.266 3.294 -2.356) 4.058 22.561 ( -0.333 -8.287 -4.375) 9.376 22.674 ( 0.732 0.488 -2.771) 2.907 22.687 ( -0.143 -0.221 -3.309) 3.319 22.794 ( 0.162 1.080 -5.515) 5.622 22.835 ( 1.046 -1.707 -7.477) 7.741 22.988 ( 4.643 1.516 -7.707) 9.124 23.052 ( -1.246 -0.815 -2.387) 2.814 23.091 ( -2.665 0.596 -2.578) 3.755 23.113 ( 2.083 0.828 -5.712) 6.136 23.288 ( 1.795 1.857 -3.123) 4.053 23.382 ( -0.860 -1.807 1.194) 2.330 23.409 ( -0.399 -0.005 4.276) 4.294 23.456 ( -0.124 -0.013 5.285) 5.286 23.610 ( -1.866 1.939 8.489) 8.905 23.700 ( -0.483 -2.595 9.972) 10.315 23.881 ( -2.909 4.976 15.894) 16.907 24.001 ( -2.539 -1.295 7.917) 8.414 24.066 ( -8.118 0.025 11.359) 13.962 24.208 ( 2.130 -3.452 4.682) 6.195 24.594 ( 1.754 1.802 -1.734) 3.055 24.727 ( 1.198 -3.461 0.268) 3.672 24.894 ( 1.698 0.650 -2.460) 3.059 24.906 ( -1.478 0.124 -3.090) 3.428 24.988 ( -0.136 5.216 -0.773) 5.275 25.234 ( 0.684 -4.555 -3.094) 5.549 ======================= Grid point 33 (18/63) ======================= q-point: (-0.40 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -10.880 11.827 3.377) 16.421 1.043 ( -0.566 2.410 9.630) 9.943 1.114 ( -0.411 -1.185 2.556) 2.848 1.215 ( -2.734 6.398 0.229) 6.961 1.271 ( 1.518 -1.587 7.134) 7.464 1.438 ( -1.386 -3.584 0.351) 3.858 1.488 ( 1.621 2.291 4.617) 5.403 1.576 ( 2.898 -2.218 7.887) 8.690 1.662 ( 3.510 -0.127 2.835) 4.514 1.683 ( 3.129 -4.730 3.506) 6.668 1.740 ( -0.259 -0.074 3.049) 3.061 1.765 ( 0.754 -2.078 0.294) 2.230 1.879 ( 0.673 3.174 4.304) 5.390 1.925 ( -0.933 -0.421 3.716) 3.854 1.978 ( -9.063 5.544 2.184) 10.846 2.060 ( -1.770 8.806 5.476) 10.519 2.113 ( -7.954 0.283 3.127) 8.552 2.143 ( -3.551 2.363 11.711) 12.463 2.205 ( -0.792 -0.377 3.594) 3.699 2.232 ( -0.091 -0.287 4.295) 4.306 2.283 ( -3.906 -1.203 4.216) 5.872 2.354 ( -7.603 0.983 0.928) 7.722 2.425 ( -8.214 -1.030 1.464) 8.407 2.529 ( 0.061 -4.938 5.980) 7.756 2.585 ( 1.194 -4.323 -0.588) 4.523 2.617 ( 2.132 -2.072 4.449) 5.350 2.657 ( -2.527 4.115 -0.887) 4.910 2.737 ( 4.799 -1.821 2.445) 5.685 2.808 ( -3.858 -8.421 0.551) 9.279 2.835 ( -3.718 0.251 0.877) 3.828 2.867 ( -0.673 1.060 0.690) 1.432 2.939 ( -0.039 -2.588 4.928) 5.567 2.993 ( 4.119 -2.168 1.716) 4.961 3.120 ( 5.743 2.896 6.538) 9.171 3.175 ( 1.055 -2.267 3.885) 4.620 3.279 ( 1.594 -0.924 1.219) 2.210 3.401 ( 3.511 5.393 -0.398) 6.448 3.486 ( -5.598 -2.282 1.068) 6.139 3.529 ( 1.509 1.786 0.477) 2.386 3.598 ( -2.652 -0.206 -0.992) 2.839 3.650 ( 4.761 4.759 3.120) 7.419 3.769 ( -1.782 -1.764 -0.734) 2.613 3.785 ( -3.387 2.421 5.620) 6.994 3.889 ( 2.375 1.252 -1.636) 3.143 3.996 ( 5.116 4.950 1.402) 7.255 4.075 ( 1.776 2.448 -0.872) 3.148 4.207 ( -0.842 -0.420 2.837) 2.989 4.324 ( -6.315 -2.145 3.049) 7.333 4.329 ( 3.392 -0.581 -1.824) 3.895 4.423 ( 1.177 0.645 1.641) 2.120 4.487 ( -0.314 -0.629 1.055) 1.268 4.630 ( -5.976 -8.792 -0.393) 10.638 4.723 ( 1.748 1.088 -3.176) 3.785 4.781 ( -3.768 -3.218 -1.226) 5.105 4.834 ( 0.683 -0.888 -4.545) 4.681 4.983 ( -0.294 -5.005 1.257) 5.169 5.116 ( 4.504 0.358 0.859) 4.599 5.265 ( -3.153 6.387 1.059) 7.201 5.313 ( 1.398 -7.151 0.453) 7.300 5.351 ( 1.825 8.028 0.840) 8.276 5.381 ( 3.632 2.743 -2.318) 5.108 5.532 ( 2.281 -1.807 0.092) 2.911 5.663 ( 0.696 -1.678 0.599) 1.912 5.735 ( -3.033 0.356 0.601) 3.112 5.836 ( -2.861 -0.557 -1.309) 3.195 5.916 ( -2.402 -3.140 -2.993) 4.958 5.985 ( 0.207 2.810 -2.147) 3.542 6.131 ( 0.552 -4.743 -3.966) 6.207 6.309 ( 0.173 -0.428 -0.101) 0.473 6.330 ( 3.331 -0.332 -1.027) 3.502 6.782 ( -2.453 3.540 2.548) 5.004 6.867 ( -0.594 -1.111 1.432) 1.907 6.946 ( 1.817 0.267 3.986) 4.389 7.049 ( -0.179 -3.667 1.638) 4.020 7.161 ( -2.350 1.173 1.206) 2.890 7.235 ( 0.581 -2.228 2.108) 3.122 7.424 ( -0.713 3.418 -2.176) 4.114 7.584 ( 1.169 -1.968 0.817) 2.431 7.834 ( -0.072 6.216 3.000) 6.903 8.037 ( 0.108 -1.529 0.363) 1.575 8.058 ( -0.390 1.647 0.647) 1.812 8.272 ( 0.979 -5.435 -3.182) 6.374 8.498 ( 0.440 0.777 -4.764) 4.847 8.526 ( 2.084 0.654 -9.055) 9.315 8.715 ( 1.662 1.972 -6.428) 6.926 8.781 ( 0.210 -1.013 -2.257) 2.483 8.807 ( -0.179 0.466 -6.067) 6.087 8.839 ( 0.705 -0.810 -8.545) 8.612 9.593 ( -1.130 0.733 -5.828) 5.981 9.688 ( -1.485 -3.805 -2.219) 4.648 9.867 ( 0.395 3.995 -4.073) 5.719 10.026 ( 0.849 -2.339 -0.654) 2.573 10.148 ( 1.149 3.450 -1.824) 4.068 10.354 ( -0.416 -4.953 5.239) 7.222 10.615 ( -0.076 8.396 4.260) 9.415 10.990 ( 0.148 -7.764 0.618) 7.790 11.216 ( 2.213 -0.824 -7.872) 8.218 11.311 ( 0.110 3.382 -0.748) 3.465 11.340 ( -2.181 -4.289 0.249) 4.818 11.438 ( -0.740 -1.749 -3.561) 4.035 11.801 ( 0.274 -1.029 -3.940) 4.081 11.826 ( 4.086 -0.662 -1.165) 4.300 11.933 ( 0.832 5.143 0.581) 5.242 11.993 ( -0.607 1.827 -6.620) 6.894 12.048 ( 2.063 -1.209 -4.701) 5.274 12.164 ( 0.312 -3.941 0.874) 4.049 12.396 ( 0.882 7.917 -4.751) 9.275 12.480 ( -0.267 5.411 -1.802) 5.710 12.703 ( -0.100 1.135 4.927) 5.057 12.708 ( 2.410 -1.330 1.362) 3.071 12.883 ( -0.194 -2.421 -0.860) 2.576 12.952 ( 1.432 3.755 -0.898) 4.117 13.030 ( -4.709 -1.933 -2.757) 5.789 13.080 ( -0.370 -8.213 -3.304) 8.861 13.401 ( -0.459 4.210 -0.395) 4.253 13.531 ( 1.696 -1.996 -3.210) 4.142 13.607 ( 2.552 1.909 7.124) 7.805 13.769 ( -0.052 -4.548 3.859) 5.965 14.196 ( 0.675 1.334 -4.179) 4.439 14.250 ( 0.167 -1.670 0.741) 1.835 14.462 ( -0.605 2.308 5.262) 5.778 14.501 ( -1.052 0.024 2.442) 2.659 14.524 ( -2.841 2.916 3.829) 5.589 14.679 ( -0.932 -3.113 4.468) 5.525 21.444 ( 0.011 1.797 -0.498) 1.865 21.531 ( 0.442 -1.352 -1.118) 1.809 21.767 ( -0.365 0.260 -1.074) 1.164 21.867 ( 0.278 -2.479 0.107) 2.497 22.005 ( -0.410 8.823 -3.526) 9.510 22.173 ( 0.800 0.759 -3.393) 3.567 22.308 ( 2.851 1.029 -0.737) 3.120 22.522 ( -1.555 -7.510 -7.600) 10.797 22.676 ( 0.393 0.326 -1.902) 1.969 22.690 ( 1.947 0.301 -3.813) 4.292 22.754 ( -1.766 0.016 -2.294) 2.895 22.823 ( -0.963 -2.442 -7.187) 7.651 23.021 ( -0.146 2.064 -3.620) 4.169 23.069 ( 4.510 -0.537 -3.793) 5.917 23.080 ( 2.877 0.741 -2.632) 3.969 23.140 ( 0.906 -0.102 -7.947) 8.000 23.295 ( 1.518 1.160 -2.070) 2.817 23.343 ( -1.290 -1.906 -1.062) 2.535 23.449 ( -0.176 1.561 2.648) 3.078 23.494 ( 1.941 -0.072 4.477) 4.880 23.612 ( -0.225 2.800 9.049) 9.475 23.741 ( 0.935 -2.931 11.389) 11.797 23.847 ( -4.536 1.795 18.084) 18.731 23.953 ( -4.367 -2.872 11.720) 12.833 24.032 ( 2.428 3.241 5.895) 7.151 24.232 ( -1.453 -3.658 5.562) 6.814 24.568 ( -3.374 2.453 -3.173) 5.241 24.717 ( -1.842 -3.583 -0.344) 4.043 24.880 ( 0.201 1.671 -3.017) 3.455 24.938 ( 2.337 -0.595 -1.395) 2.786 24.996 ( 1.142 4.498 -0.524) 4.670 25.218 ( -1.074 -4.150 -3.916) 5.806 ======================= Grid point 34 (19/63) ======================= q-point: (-0.20 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -9.397 15.954 8.653) 20.438 0.804 ( -16.254 10.465 8.646) 21.177 1.151 ( -0.813 0.227 3.555) 3.654 1.252 ( -3.286 -2.280 8.731) 9.603 1.287 ( 0.011 1.811 5.593) 5.879 1.359 ( -14.389 -3.725 9.789) 17.797 1.484 ( -5.739 2.888 6.464) 9.114 1.562 ( 1.483 -0.989 5.880) 6.144 1.649 ( -2.502 -1.834 -2.049) 3.718 1.702 ( 2.115 2.567 0.024) 3.326 1.751 ( -0.206 -2.660 8.437) 8.849 1.822 ( -1.395 -1.767 -0.710) 2.360 1.867 ( -2.960 0.888 -0.182) 3.095 1.877 ( 1.911 0.051 6.404) 6.683 1.948 ( -0.197 0.515 3.473) 3.516 2.006 ( 2.156 3.984 1.922) 4.921 2.076 ( -0.642 2.686 5.484) 6.140 2.120 ( 1.065 1.533 2.521) 3.136 2.175 ( -1.356 2.906 9.359) 9.893 2.212 ( -1.961 -4.199 1.952) 5.029 2.249 ( 0.453 -1.799 4.479) 4.848 2.281 ( 1.369 5.262 2.622) 6.036 2.355 ( -1.816 4.124 4.443) 6.328 2.506 ( -4.114 -8.112 1.685) 9.250 2.570 ( -1.982 -2.741 6.906) 7.690 2.579 ( -3.698 1.314 0.772) 4.000 2.676 ( -5.317 -2.193 5.741) 8.127 2.727 ( 2.472 -2.571 3.976) 5.341 2.744 ( -0.297 -3.194 1.593) 3.582 2.818 ( -2.151 1.982 0.078) 2.926 2.877 ( 2.562 -0.058 0.593) 2.631 2.938 ( -1.679 1.055 3.923) 4.396 3.022 ( -0.414 0.209 2.257) 2.304 3.168 ( -1.815 2.288 1.228) 3.168 3.255 ( 0.900 -1.928 0.850) 2.292 3.396 ( 1.232 -2.398 5.428) 6.061 3.418 ( 9.508 -0.439 -0.428) 9.528 3.476 ( 1.469 -1.007 -0.036) 1.781 3.570 ( 0.822 -2.770 -1.659) 3.331 3.591 ( 4.496 1.960 5.599) 7.443 3.690 ( -2.574 -1.219 -1.533) 3.235 3.721 ( -1.333 -1.317 1.231) 2.242 3.854 ( 3.469 -1.669 0.236) 3.857 3.907 ( -0.391 4.050 1.233) 4.252 4.041 ( -4.175 -3.180 0.895) 5.324 4.064 ( -1.534 3.920 -1.262) 4.394 4.148 ( -5.668 2.468 3.103) 6.917 4.229 ( 3.071 1.326 -1.509) 3.670 4.372 ( -2.103 -1.970 -0.477) 2.921 4.429 ( -4.069 -0.082 1.073) 4.209 4.457 ( 2.255 0.761 -1.912) 3.053 4.583 ( 1.164 -3.597 -1.001) 3.911 4.686 ( 0.413 -0.018 -4.624) 4.642 4.737 ( -2.704 -0.409 2.730) 3.864 4.894 ( 3.877 -4.677 0.193) 6.078 5.043 ( 5.572 -1.602 -1.545) 6.000 5.134 ( -7.886 6.545 0.177) 10.250 5.206 ( 4.075 0.121 -3.545) 5.403 5.322 ( 0.776 -1.683 -1.026) 2.118 5.402 ( 0.798 1.997 1.115) 2.423 5.467 ( 2.858 2.753 -0.184) 3.973 5.587 ( 1.890 -2.498 0.227) 3.141 5.651 ( -3.795 -1.208 -2.976) 4.971 5.710 ( 2.988 -1.415 -0.602) 3.360 5.805 ( -0.185 -0.334 -0.824) 0.908 5.851 ( -1.933 -0.951 -0.084) 2.156 5.970 ( -0.564 0.782 -1.241) 1.572 6.034 ( -9.374 -4.949 -3.891) 11.292 6.260 ( -4.267 3.241 2.434) 5.885 6.413 ( 3.594 -0.741 -1.294) 3.891 6.732 ( -1.934 2.622 0.654) 3.323 6.885 ( 1.292 -2.761 0.537) 3.095 6.992 ( 0.103 0.144 5.095) 5.098 7.036 ( -1.292 -1.315 3.864) 4.282 7.135 ( 0.240 0.071 0.758) 0.799 7.236 ( -1.002 -1.688 1.692) 2.592 7.389 ( -1.106 3.343 -1.761) 3.937 7.574 ( -2.376 -3.035 1.930) 4.310 7.856 ( 1.080 7.179 2.454) 7.663 8.021 ( -1.494 -1.073 0.313) 1.866 8.059 ( -0.084 0.139 -0.011) 0.163 8.270 ( -0.460 -5.653 -2.072) 6.038 8.496 ( 0.621 1.257 -3.832) 4.080 8.546 ( 2.396 0.776 -9.572) 9.898 8.732 ( 1.541 0.905 -6.855) 7.084 8.789 ( 1.712 0.061 -6.488) 6.710 8.808 ( 1.837 -0.710 -4.760) 5.151 8.827 ( 0.747 -0.613 -6.401) 6.473 9.528 ( -3.089 1.508 -5.317) 6.332 9.650 ( -0.761 -4.114 -1.493) 4.442 9.856 ( -0.216 4.626 -3.607) 5.870 10.040 ( 0.580 -2.860 -0.859) 3.042 10.169 ( 1.091 3.330 -1.880) 3.977 10.365 ( -0.242 -4.639 5.195) 6.969 10.645 ( 1.477 8.582 3.597) 9.422 11.009 ( 1.404 -6.016 -0.769) 6.226 11.237 ( -0.090 -0.981 -5.878) 5.960 11.288 ( -1.973 -1.819 -0.831) 2.810 11.293 ( 0.411 1.149 -2.830) 3.082 11.437 ( 1.979 -1.838 -5.021) 5.701 11.765 ( -2.817 -1.162 0.060) 3.048 11.872 ( 0.617 -4.078 -4.496) 6.101 11.950 ( 1.189 5.649 -3.245) 6.622 12.024 ( 4.096 0.669 -5.807) 7.138 12.098 ( 3.825 1.137 1.219) 4.173 12.191 ( 2.395 -2.329 2.325) 4.070 12.334 ( -3.364 12.376 -5.930) 14.130 12.548 ( 4.973 2.789 -3.367) 6.621 12.714 ( -0.093 2.207 3.944) 4.521 12.770 ( 1.983 -2.930 1.601) 3.883 12.861 ( -2.556 -4.200 -0.416) 4.935 12.913 ( -3.292 -0.733 -4.205) 5.390 12.975 ( 0.106 1.262 0.209) 1.283 13.059 ( -0.375 -6.167 -2.743) 6.759 13.412 ( 2.207 5.867 -4.643) 7.801 13.587 ( 4.082 -3.218 -4.524) 6.891 13.722 ( 6.263 1.251 9.578) 11.512 13.799 ( 1.921 -2.145 6.535) 7.141 14.164 ( -3.551 1.451 0.174) 3.840 14.246 ( -1.044 -1.901 1.453) 2.610 14.427 ( -4.534 0.939 5.083) 6.875 14.469 ( -1.229 1.161 2.986) 3.432 14.493 ( -0.423 0.131 1.231) 1.308 14.581 ( -11.104 -8.268 3.764) 14.347 21.442 ( -0.114 1.776 -0.310) 1.806 21.535 ( 0.245 -1.846 -0.799) 2.026 21.794 ( 3.436 3.467 0.172) 4.884 21.863 ( -0.262 1.947 -1.721) 2.612 21.999 ( 2.313 8.354 -6.162) 10.636 22.211 ( 3.214 0.825 -2.079) 3.915 22.318 ( -0.762 0.439 -3.482) 3.592 22.424 ( -5.521 -2.845 -9.683) 11.503 22.680 ( -0.503 0.633 -1.967) 2.127 22.692 ( 0.950 0.933 -5.959) 6.106 22.755 ( -2.191 -2.424 -6.552) 7.321 22.791 ( 3.352 -3.588 -0.241) 4.916 22.962 ( -3.192 3.024 -9.120) 10.125 23.078 ( -1.881 -2.239 -8.368) 8.864 23.142 ( 4.185 1.046 -2.824) 5.155 23.204 ( 3.491 -1.248 -2.976) 4.754 23.336 ( 1.888 0.231 1.561) 2.461 23.364 ( 2.752 0.670 -2.434) 3.734 23.443 ( 0.295 1.963 2.412) 3.124 23.508 ( -1.662 -2.845 4.990) 5.979 23.663 ( 2.176 3.434 8.574) 9.489 23.758 ( -3.244 -0.850 11.589) 12.064 23.835 ( -1.706 0.843 14.690) 14.812 23.936 ( 0.285 -2.269 5.145) 5.630 24.158 ( -1.013 -1.812 10.099) 10.310 24.223 ( 6.275 -3.747 18.129) 19.547 24.461 ( -4.359 4.146 -2.500) 6.515 24.671 ( -1.954 -4.094 -0.091) 4.537 24.887 ( 0.879 1.868 -3.520) 4.081 24.965 ( 0.576 -0.133 -0.269) 0.649 25.026 ( 1.578 1.723 -1.550) 2.804 25.158 ( -3.669 -3.400 -4.369) 6.641 ======================= Grid point 35 (20/63) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -6.634 -15.224 7.989) 18.428 0.880 ( -6.634 15.224 7.989) 18.428 0.965 ( -1.504 -14.831 6.890) 16.422 0.965 ( -1.504 14.831 6.890) 16.422 1.299 ( -3.794 -13.189 12.607) 18.636 1.299 ( -3.794 13.189 12.607) 18.636 1.466 ( -2.355 -8.485 -0.104) 8.806 1.466 ( -2.355 8.485 -0.104) 8.806 1.630 ( 1.053 -5.129 4.899) 7.171 1.630 ( 1.053 5.129 4.899) 7.171 1.759 ( 3.209 -5.878 -2.395) 7.112 1.759 ( 3.209 5.878 -2.395) 7.112 1.893 ( 0.416 -2.585 1.320) 2.933 1.893 ( 0.416 2.585 1.320) 2.933 2.015 ( -0.559 -7.863 1.841) 8.095 2.015 ( -0.559 7.863 1.841) 8.095 2.136 ( -2.213 -3.480 8.767) 9.689 2.136 ( -2.213 3.480 8.767) 9.689 2.204 ( -0.435 -5.669 6.917) 8.954 2.204 ( -0.435 5.669 6.917) 8.954 2.338 ( 4.651 -2.849 2.934) 6.193 2.338 ( 4.651 2.849 2.934) 6.193 2.419 ( -5.065 -3.842 4.233) 7.638 2.419 ( -5.065 3.842 4.233) 7.638 2.534 ( -0.253 -4.529 1.687) 4.840 2.534 ( -0.253 4.529 1.687) 4.840 2.656 ( 0.959 -6.736 7.156) 9.874 2.656 ( 0.959 6.736 7.156) 9.874 2.793 ( 1.565 -4.429 -0.471) 4.721 2.793 ( 1.565 4.429 -0.471) 4.721 2.927 ( 0.815 -2.806 2.024) 3.554 2.927 ( 0.815 2.806 2.024) 3.554 3.126 ( -2.633 -10.467 -2.690) 11.123 3.126 ( -2.633 10.467 -2.690) 11.123 3.224 ( -1.445 -1.705 3.181) 3.888 3.224 ( -1.445 1.705 3.181) 3.888 3.500 ( -0.193 -3.928 0.744) 4.002 3.500 ( -0.193 3.928 0.744) 4.002 3.603 ( -1.293 -2.046 2.164) 3.247 3.603 ( -1.293 2.046 2.164) 3.247 3.689 ( 3.157 -3.318 0.766) 4.643 3.689 ( 3.157 3.318 0.766) 4.643 3.867 ( -1.829 -3.648 1.843) 4.477 3.867 ( -1.829 3.648 1.843) 4.477 4.060 ( -6.150 -3.553 -2.414) 7.501 4.060 ( -6.150 3.553 -2.414) 7.501 4.154 ( 4.547 -3.261 -0.335) 5.605 4.154 ( 4.547 3.261 -0.335) 5.605 4.341 ( 1.696 -4.035 0.667) 4.427 4.341 ( 1.696 4.035 0.667) 4.427 4.559 ( 2.099 -1.902 -1.035) 3.015 4.559 ( 2.099 1.902 -1.035) 3.015 4.796 ( 0.960 -7.160 -0.339) 7.232 4.796 ( 0.960 7.160 -0.339) 7.232 4.874 ( -2.652 -5.975 3.328) 7.335 4.874 ( -2.652 5.975 3.328) 7.335 5.239 ( 2.007 -0.801 -4.795) 5.259 5.239 ( 2.007 0.801 -4.795) 5.259 5.389 ( 1.655 -1.531 -3.151) 3.875 5.389 ( 1.655 1.531 -3.151) 3.875 5.535 ( 0.024 -5.076 -0.480) 5.099 5.535 ( 0.024 5.076 -0.480) 5.099 5.656 ( -0.285 -3.541 1.183) 3.745 5.656 ( -0.285 3.541 1.183) 3.745 5.788 ( -3.615 -0.817 2.213) 4.317 5.788 ( -3.615 0.817 2.213) 4.317 5.928 ( 1.042 -2.506 -0.544) 2.768 5.928 ( 1.042 2.506 -0.544) 2.768 6.357 ( -0.500 -6.540 0.586) 6.585 6.357 ( -0.500 6.540 0.586) 6.585 6.834 ( 2.062 -5.535 -0.764) 5.956 6.834 ( 2.062 5.535 -0.764) 5.956 6.977 ( -2.470 -1.398 5.050) 5.793 6.977 ( -2.470 1.398 5.050) 5.793 7.186 ( -0.212 -2.972 1.807) 3.485 7.186 ( -0.212 2.972 1.807) 3.485 7.424 ( -1.306 -4.049 -1.151) 4.408 7.424 ( -1.306 4.049 -1.151) 4.408 8.002 ( -0.577 -2.527 0.668) 2.677 8.002 ( -0.577 2.527 0.668) 2.677 8.102 ( 0.245 -8.574 0.259) 8.581 8.102 ( 0.245 8.574 0.259) 8.581 8.528 ( 0.227 -1.737 -6.011) 6.262 8.528 ( 0.227 1.737 -6.011) 6.262 8.772 ( 1.576 -1.991 -8.779) 9.139 8.772 ( 1.576 1.991 -8.779) 9.139 8.836 ( 1.780 -0.523 -3.357) 3.836 8.836 ( 1.780 0.523 -3.357) 3.836 9.572 ( 1.881 -4.476 -1.881) 5.207 9.572 ( 1.881 4.476 -1.881) 5.207 9.952 ( 0.044 -5.087 -1.961) 5.452 9.952 ( 0.044 5.087 -1.961) 5.452 10.265 ( -0.560 -4.967 1.182) 5.136 10.265 ( -0.560 4.967 1.182) 5.136 10.882 ( 0.391 -9.793 2.281) 10.062 10.882 ( 0.391 9.793 2.281) 10.062 11.206 ( 0.578 -2.220 -4.186) 4.774 11.206 ( 0.578 2.220 -4.186) 4.774 11.382 ( 0.317 -4.810 -2.349) 5.363 11.382 ( 0.317 4.810 -2.349) 5.363 11.757 ( -0.202 -4.242 -5.880) 7.254 11.757 ( -0.202 4.242 -5.880) 7.254 12.015 ( 0.617 -2.902 -4.754) 5.604 12.015 ( 0.617 2.902 -4.754) 5.604 12.187 ( -2.358 -0.793 2.232) 3.343 12.187 ( -2.358 0.793 2.232) 3.343 12.535 ( 1.067 -7.081 -8.316) 10.974 12.535 ( 1.067 7.081 -8.316) 10.974 12.761 ( 2.165 -1.131 1.209) 2.726 12.761 ( 2.165 1.131 1.209) 2.726 12.837 ( -0.039 -2.653 -0.222) 2.663 12.837 ( -0.039 2.653 -0.222) 2.663 12.984 ( 0.074 -2.589 0.127) 2.594 12.984 ( 0.074 2.589 0.127) 2.594 13.539 ( 1.093 -4.541 -4.930) 6.791 13.539 ( 1.093 4.541 -4.930) 6.791 13.923 ( 1.776 -2.812 8.035) 8.696 13.923 ( 1.776 2.812 8.035) 8.696 14.066 ( -5.437 -0.948 3.762) 6.679 14.066 ( -5.437 0.948 3.762) 6.679 14.342 ( -0.879 -2.303 4.301) 4.957 14.342 ( -0.879 2.303 4.301) 4.957 14.488 ( 0.051 -0.696 1.731) 1.867 14.488 ( 0.051 0.696 1.731) 1.867 21.487 ( 0.127 -2.653 -0.423) 2.689 21.487 ( 0.127 2.653 -0.423) 2.689 21.842 ( -1.197 -2.214 -1.464) 2.911 21.842 ( -1.197 2.214 -1.464) 2.911 22.235 ( -4.416 -3.088 -8.734) 10.262 22.235 ( -4.416 3.088 -8.734) 10.262 22.327 ( 7.475 -0.670 -2.590) 7.939 22.327 ( 7.475 0.670 -2.590) 7.939 22.657 ( 0.181 -1.311 -4.429) 4.622 22.657 ( 0.181 1.311 -4.429) 4.622 22.780 ( 3.114 -3.101 -5.085) 6.721 22.780 ( 3.114 3.101 -5.085) 6.721 22.940 ( -1.261 -3.409 -11.469) 12.032 22.940 ( -1.261 3.409 -11.469) 12.032 23.223 ( -0.035 -1.475 -0.121) 1.481 23.223 ( -0.035 1.475 -0.121) 1.481 23.397 ( -1.344 -2.186 -1.757) 3.111 23.397 ( -1.344 2.186 -1.757) 3.111 23.434 ( -0.324 -2.732 6.124) 6.713 23.434 ( -0.324 2.732 6.124) 6.713 23.709 ( -3.704 -0.952 9.707) 10.433 23.709 ( -3.704 0.952 9.707) 10.433 23.934 ( 2.265 -2.440 3.300) 4.687 23.934 ( 2.265 2.440 3.300) 4.687 24.202 ( -2.510 -8.848 20.220) 22.213 24.202 ( -2.510 8.848 20.220) 22.213 24.536 ( 1.069 -5.845 -0.413) 5.956 24.536 ( 1.069 5.845 -0.413) 5.956 24.928 ( -0.034 -2.498 -2.247) 3.360 24.928 ( -0.034 2.498 -2.247) 3.360 25.069 ( 0.420 -0.788 -2.016) 2.205 25.069 ( 0.420 0.788 -2.016) 2.205 ======================= Grid point 37 (21/63) ======================= q-point: ( 0.20 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 3.549 -8.762 10.988) 14.495 0.858 ( 3.549 8.762 10.988) 14.495 1.018 ( 3.969 -6.615 4.311) 8.838 1.018 ( 3.969 6.615 4.311) 8.838 1.322 ( 0.290 -2.805 1.955) 3.431 1.322 ( 0.290 2.805 1.955) 3.431 1.486 ( 3.135 -2.998 2.733) 5.127 1.486 ( 3.135 2.998 2.733) 5.127 1.656 ( 0.103 -3.163 4.068) 5.154 1.656 ( 0.103 3.163 4.068) 5.154 1.827 ( 0.724 -7.903 1.290) 8.040 1.827 ( 0.724 7.903 1.290) 8.040 1.890 ( 0.220 -1.145 0.411) 1.236 1.890 ( 0.220 1.145 0.411) 1.236 2.031 ( 0.497 -3.780 6.902) 7.885 2.031 ( 0.497 3.780 6.902) 7.885 2.101 ( -0.487 -1.909 6.006) 6.320 2.101 ( -0.487 1.909 6.006) 6.320 2.212 ( -2.185 -2.529 6.442) 7.258 2.212 ( -2.185 2.529 6.442) 7.258 2.336 ( -0.206 -4.603 5.142) 6.904 2.336 ( -0.206 4.603 5.142) 6.904 2.422 ( 0.780 -2.462 1.723) 3.104 2.422 ( 0.780 2.462 1.723) 3.104 2.555 ( 0.249 -2.412 3.719) 4.440 2.555 ( 0.249 2.412 3.719) 4.440 2.706 ( 2.132 -1.814 2.891) 4.025 2.706 ( 2.132 1.814 2.891) 4.025 2.792 ( -1.382 -5.709 0.095) 5.875 2.792 ( -1.382 5.709 0.095) 5.875 2.955 ( -1.402 -1.357 2.060) 2.838 2.955 ( -1.402 1.357 2.060) 2.838 3.027 ( -2.037 -3.437 0.377) 4.013 3.027 ( -2.037 3.437 0.377) 4.013 3.250 ( 1.792 -5.437 3.872) 6.911 3.250 ( 1.792 5.437 3.872) 6.911 3.496 ( -4.129 -0.911 -1.390) 4.451 3.496 ( -4.129 0.911 -1.390) 4.451 3.552 ( -0.605 -3.464 2.239) 4.169 3.552 ( -0.605 3.464 2.239) 4.169 3.674 ( -0.013 -2.685 -0.170) 2.691 3.674 ( -0.013 2.685 -0.170) 2.691 3.883 ( -0.657 -2.849 -1.078) 3.116 3.883 ( -0.657 2.849 -1.078) 3.116 4.014 ( 3.041 -0.550 2.256) 3.827 4.014 ( 3.041 0.550 2.256) 3.827 4.248 ( 2.535 -6.785 -0.326) 7.250 4.248 ( 2.535 6.785 -0.326) 7.250 4.419 ( 1.119 -2.912 1.093) 3.306 4.419 ( 1.119 2.912 1.093) 3.306 4.550 ( -1.128 -3.095 2.723) 4.274 4.550 ( -1.128 3.095 2.723) 4.274 4.743 ( -1.804 -3.056 1.627) 3.904 4.743 ( -1.804 3.056 1.627) 3.904 4.859 ( -0.517 -3.578 -2.248) 4.257 4.859 ( -0.517 3.578 -2.248) 4.257 5.228 ( -2.265 -2.085 -3.776) 4.872 5.228 ( -2.265 2.085 -3.776) 4.872 5.383 ( -3.686 -5.592 -2.055) 7.006 5.383 ( -3.686 5.592 -2.055) 7.006 5.539 ( 2.023 -6.114 -1.183) 6.548 5.539 ( 2.023 6.114 -1.183) 6.548 5.660 ( 0.263 -4.880 4.190) 6.438 5.660 ( 0.263 4.880 4.190) 6.438 5.834 ( 7.371 -0.630 -3.172) 8.049 5.834 ( 7.371 0.630 -3.172) 8.049 5.941 ( -0.048 -1.820 0.498) 1.887 5.941 ( -0.048 1.820 0.498) 1.887 6.331 ( -2.051 -3.895 -0.629) 4.447 6.331 ( -2.051 3.895 -0.629) 4.447 6.878 ( 1.395 -4.993 0.887) 5.260 6.878 ( 1.395 4.993 0.887) 5.260 6.946 ( -1.597 -0.725 4.434) 4.768 6.946 ( -1.597 0.725 4.434) 4.768 7.182 ( -0.084 -2.014 1.230) 2.361 7.182 ( -0.084 2.014 1.230) 2.361 7.425 ( 1.781 -3.059 -2.589) 4.386 7.425 ( 1.781 3.059 -2.589) 4.386 7.985 ( -0.883 -3.575 0.731) 3.754 7.985 ( -0.883 3.575 0.731) 3.754 8.121 ( 0.879 -6.820 0.528) 6.897 8.121 ( 0.879 6.820 0.528) 6.897 8.513 ( 0.463 -0.585 -6.457) 6.500 8.513 ( 0.463 0.585 -6.457) 6.500 8.776 ( 1.158 -2.160 -8.267) 8.622 8.776 ( 1.158 2.160 -8.267) 8.622 8.848 ( 0.304 -0.754 -3.398) 3.493 8.848 ( 0.304 0.754 -3.398) 3.493 9.626 ( 2.788 -3.904 -2.264) 5.305 9.626 ( 2.788 3.904 -2.264) 5.305 9.946 ( 0.031 -4.470 -2.003) 4.898 9.946 ( 0.031 4.470 -2.003) 4.898 10.250 ( -0.998 -5.138 1.400) 5.418 10.250 ( -0.998 5.138 1.400) 5.418 10.862 ( -2.558 -9.510 2.626) 10.193 10.862 ( -2.558 9.510 2.626) 10.193 11.241 ( 3.518 -1.778 -4.708) 6.140 11.241 ( 3.518 1.778 -4.708) 6.140 11.367 ( -1.340 -2.711 0.102) 3.026 11.367 ( -1.340 2.711 0.102) 3.026 11.748 ( 1.183 -3.078 -6.090) 6.926 11.748 ( 1.183 3.078 -6.090) 6.926 12.018 ( 1.144 -3.979 -4.425) 6.060 12.018 ( 1.144 3.979 -4.425) 6.060 12.093 ( -4.274 -1.898 -0.922) 4.767 12.093 ( -4.274 1.898 -0.922) 4.767 12.529 ( -0.368 -5.595 -5.776) 8.049 12.529 ( -0.368 5.595 -5.776) 8.049 12.788 ( -0.059 -3.747 1.942) 4.220 12.788 ( -0.059 3.747 1.942) 4.220 12.863 ( 1.878 -8.235 -1.059) 8.513 12.863 ( 1.878 8.235 -1.059) 8.513 12.999 ( 1.097 -3.467 0.238) 3.644 12.999 ( 1.097 3.467 0.238) 3.644 13.526 ( -1.196 -5.208 -2.019) 5.712 13.526 ( -1.196 5.208 -2.019) 5.712 13.754 ( -8.808 -2.570 6.196) 11.071 13.754 ( -8.808 2.570 6.196) 11.071 14.162 ( 4.058 -2.885 0.159) 4.981 14.162 ( 4.058 2.885 0.159) 4.981 14.426 ( 5.488 -2.836 3.398) 7.051 14.426 ( 5.488 2.836 3.398) 7.051 14.506 ( 1.409 -0.109 3.229) 3.524 14.506 ( 1.409 0.109 3.229) 3.524 21.490 ( 0.189 -2.630 -0.516) 2.687 21.490 ( 0.189 2.630 -0.516) 2.687 21.802 ( -1.478 -2.883 -2.009) 3.812 21.802 ( -1.478 2.883 -2.009) 3.812 22.142 ( -1.183 -4.233 -4.520) 6.305 22.142 ( -1.183 4.233 -4.520) 6.305 22.414 ( 0.717 -6.465 -3.245) 7.269 22.414 ( 0.717 6.465 -3.245) 7.269 22.681 ( 1.580 -1.413 -1.861) 2.821 22.681 ( 1.580 1.413 -1.861) 2.821 22.812 ( 1.192 -1.582 -7.006) 7.280 22.812 ( 1.192 1.582 -7.006) 7.280 22.945 ( 5.606 -3.205 -12.459) 14.033 22.945 ( 5.606 3.205 -12.459) 14.033 23.179 ( -3.668 -2.076 -1.139) 4.366 23.179 ( -3.668 2.076 -1.139) 4.366 23.338 ( -1.504 -3.668 0.561) 4.004 23.338 ( -1.504 3.668 0.561) 4.004 23.444 ( -1.723 -1.743 6.151) 6.622 23.444 ( -1.723 1.743 6.151) 6.622 23.665 ( -2.495 -1.309 8.436) 8.894 23.665 ( -2.495 1.309 8.436) 8.894 23.975 ( 0.088 -3.231 6.094) 6.898 23.975 ( 0.088 3.231 6.094) 6.898 24.161 ( -5.419 -4.609 15.728) 17.262 24.161 ( -5.419 4.609 15.728) 17.262 24.594 ( 3.373 -4.445 -0.090) 5.581 24.594 ( 3.373 4.445 -0.090) 5.581 24.918 ( -0.328 -1.702 -2.678) 3.190 24.918 ( -0.328 1.702 -2.678) 3.190 25.094 ( 1.815 -4.827 -1.778) 5.455 25.094 ( 1.815 4.827 -1.778) 5.455 ======================= Grid point 39 (22/63) ======================= q-point: ( 0.40 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 5.926 -9.877 5.495) 12.762 1.020 ( 5.926 9.877 5.495) 12.762 1.142 ( 4.213 -11.128 4.517) 12.727 1.142 ( 4.213 11.128 4.517) 12.727 1.332 ( 2.099 -1.525 -0.587) 2.660 1.332 ( 2.099 1.525 -0.587) 2.660 1.496 ( -1.395 -7.717 3.553) 8.609 1.496 ( -1.395 7.717 3.553) 8.609 1.635 ( -4.772 -2.520 7.574) 9.300 1.635 ( -4.772 2.520 7.574) 9.300 1.784 ( -2.654 -0.658 2.469) 3.684 1.784 ( -2.654 0.658 2.469) 3.684 1.920 ( 1.355 -4.879 -0.289) 5.072 1.920 ( 1.355 4.879 -0.289) 5.072 2.075 ( -1.984 -5.006 5.912) 7.997 2.075 ( -1.984 5.006 5.912) 7.997 2.127 ( 2.946 -2.139 4.790) 6.016 2.127 ( 2.946 2.139 4.790) 6.016 2.223 ( 1.172 -4.050 8.841) 9.795 2.223 ( 1.172 4.050 8.841) 9.795 2.410 ( 2.538 -7.062 -0.076) 7.505 2.410 ( 2.538 7.062 -0.076) 7.505 2.452 ( 1.791 -2.794 3.370) 4.730 2.452 ( 1.791 2.794 3.370) 4.730 2.556 ( -0.421 -1.114 2.385) 2.666 2.556 ( -0.421 1.114 2.385) 2.666 2.687 ( -2.874 -2.938 4.147) 5.839 2.687 ( -2.874 2.938 4.147) 5.839 2.771 ( -1.239 -3.413 -2.449) 4.380 2.771 ( -1.239 3.413 -2.449) 4.380 2.908 ( -1.559 -1.262 1.101) 2.288 2.908 ( -1.559 1.262 1.101) 2.288 3.016 ( -2.320 -0.518 3.946) 4.607 3.016 ( -2.320 0.518 3.946) 4.607 3.244 ( -1.451 -5.232 3.483) 6.451 3.244 ( -1.451 5.232 3.483) 6.451 3.464 ( 2.285 -4.311 -0.159) 4.881 3.464 ( 2.285 4.311 -0.159) 4.881 3.600 ( 2.720 -6.313 1.248) 6.986 3.600 ( 2.720 6.313 1.248) 6.986 3.686 ( -1.262 -8.673 -1.044) 8.826 3.686 ( -1.262 8.673 -1.044) 8.826 3.859 ( 0.250 -3.842 2.977) 4.867 3.859 ( 0.250 3.842 2.977) 4.867 4.088 ( 1.395 -3.951 0.274) 4.199 4.088 ( 1.395 3.951 0.274) 4.199 4.218 ( -2.785 -7.950 0.739) 8.456 4.218 ( -2.785 7.950 0.739) 8.456 4.415 ( -0.772 -1.214 3.138) 3.452 4.415 ( -0.772 1.214 3.138) 3.452 4.507 ( -2.764 -6.928 1.263) 7.565 4.507 ( -2.764 6.928 1.263) 7.565 4.763 ( 1.258 -4.236 0.570) 4.456 4.763 ( 1.258 4.236 0.570) 4.456 4.874 ( 1.553 -2.068 -2.115) 3.341 4.874 ( 1.553 2.068 -2.115) 3.341 5.133 ( -3.622 -4.347 0.130) 5.659 5.133 ( -3.622 4.347 0.130) 5.659 5.328 ( 0.890 -2.864 -4.922) 5.764 5.328 ( 0.890 2.864 -4.922) 5.764 5.572 ( 0.577 -6.477 1.237) 6.619 5.572 ( 0.577 6.477 1.237) 6.619 5.662 ( -1.425 -10.713 2.896) 11.188 5.662 ( -1.425 10.713 2.896) 11.188 5.920 ( -1.657 -0.755 -0.511) 1.891 5.920 ( -1.657 0.755 -0.511) 1.891 5.992 ( 5.773 -3.035 -4.138) 7.724 5.992 ( 5.773 3.035 -4.138) 7.724 6.286 ( -0.704 -1.808 -1.094) 2.228 6.286 ( -0.704 1.808 -1.094) 2.228 6.895 ( -0.596 -1.863 4.073) 4.518 6.895 ( -0.596 1.863 4.073) 4.518 6.929 ( -0.786 -5.653 2.205) 6.118 6.929 ( -0.786 5.653 2.205) 6.118 7.199 ( 0.762 -1.148 1.140) 1.788 7.199 ( 0.762 1.148 1.140) 1.788 7.470 ( 2.829 -3.788 -3.013) 5.606 7.470 ( 2.829 3.788 -3.013) 5.606 7.972 ( -0.509 -4.942 0.979) 5.064 7.972 ( -0.509 4.942 0.979) 5.064 8.135 ( 0.336 -5.698 0.180) 5.710 8.135 ( 0.336 5.698 0.180) 5.710 8.511 ( 1.224 -0.472 -6.878) 7.002 8.511 ( 1.224 0.472 -6.878) 7.002 8.765 ( -0.017 -2.147 -5.731) 6.120 8.765 ( -0.017 2.147 -5.731) 6.120 8.838 ( 0.198 -0.401 -5.858) 5.875 8.838 ( 0.198 0.401 -5.858) 5.875 9.651 ( 0.164 -2.776 -2.912) 4.027 9.651 ( 0.164 2.776 -2.912) 4.027 9.945 ( 0.626 -3.902 -2.435) 4.641 9.945 ( 0.626 3.902 -2.435) 4.641 10.238 ( -0.360 -5.469 1.480) 5.678 10.238 ( -0.360 5.469 1.480) 5.678 10.816 ( -1.962 -9.548 2.683) 10.110 10.816 ( -1.962 9.548 2.683) 10.110 11.267 ( -0.809 -4.552 -2.380) 5.200 11.267 ( -0.809 4.552 -2.380) 5.200 11.368 ( 2.135 -4.756 -1.713) 5.488 11.368 ( 2.135 4.756 -1.713) 5.488 11.769 ( 2.026 -1.246 -4.156) 4.789 11.769 ( 2.026 1.246 -4.156) 4.789 12.029 ( -1.412 -2.916 1.313) 3.496 12.029 ( -1.412 2.916 1.313) 3.496 12.039 ( 1.925 -2.626 -7.338) 8.028 12.039 ( 1.925 2.626 -7.338) 8.028 12.497 ( -0.319 -5.514 -4.316) 7.010 12.497 ( -0.319 5.514 -4.316) 7.010 12.794 ( 0.133 -4.117 1.592) 4.416 12.794 ( 0.133 4.117 1.592) 4.416 12.865 ( -1.611 -11.525 0.062) 11.637 12.865 ( -1.611 11.525 0.062) 11.637 13.022 ( 0.906 -3.662 -1.290) 3.987 13.022 ( 0.906 3.662 -1.290) 3.987 13.488 ( -1.487 -3.366 -0.174) 3.684 13.488 ( -1.487 3.366 -0.174) 3.684 13.662 ( -1.852 -4.802 4.072) 6.563 13.662 ( -1.852 4.802 4.072) 6.563 14.210 ( 1.373 -1.491 -2.023) 2.863 14.210 ( 1.373 1.491 -2.023) 2.863 14.490 ( 0.313 -1.723 3.391) 3.817 14.490 ( 0.313 1.723 3.391) 3.817 14.587 ( 2.971 -2.446 3.941) 5.508 14.587 ( 2.971 2.446 3.941) 5.508 21.491 ( 0.124 -2.377 -0.746) 2.494 21.491 ( 0.124 2.377 -0.746) 2.494 21.783 ( 0.201 -2.357 -0.868) 2.519 21.783 ( 0.201 2.357 -0.868) 2.519 22.148 ( 1.876 -3.904 -2.986) 5.261 22.148 ( 1.876 3.904 -2.986) 5.261 22.380 ( -1.671 -8.147 -2.894) 8.806 22.380 ( -1.671 8.147 -2.894) 8.806 22.684 ( -0.097 -0.304 -2.724) 2.743 22.684 ( -0.097 0.304 -2.724) 2.743 22.808 ( 0.418 -0.804 -6.492) 6.554 22.808 ( 0.418 0.804 -6.492) 6.554 23.022 ( 2.390 -1.714 -5.330) 6.088 23.022 ( 2.390 1.714 -5.330) 6.088 23.112 ( 0.038 -0.889 -5.263) 5.338 23.112 ( 0.038 0.889 -5.263) 5.338 23.333 ( -0.499 -2.386 -1.185) 2.711 23.333 ( -0.499 2.386 -1.185) 2.711 23.434 ( 0.552 -1.721 5.432) 5.724 23.434 ( 0.552 1.721 5.432) 5.724 23.655 ( -1.031 -2.114 8.543) 8.861 23.655 ( -1.031 2.114 8.543) 8.861 23.958 ( -4.886 -2.620 15.038) 16.027 23.958 ( -4.886 2.620 15.038) 16.027 24.118 ( -1.136 -4.493 5.796) 7.421 24.118 ( -1.136 4.493 5.796) 7.421 24.651 ( 1.480 -3.503 -0.865) 3.900 24.651 ( 1.480 3.503 -0.865) 3.900 24.904 ( 0.160 -0.334 -2.581) 2.607 24.904 ( 0.160 0.334 -2.581) 2.607 25.115 ( 0.566 -6.466 -1.925) 6.770 25.115 ( 0.566 6.466 -1.925) 6.770 ======================= Grid point 41 (23/63) ======================= q-point: (-0.40 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -4.598 -3.340 3.135) 6.491 1.061 ( -4.598 3.340 3.135) 6.491 1.142 ( -2.074 -5.700 5.667) 8.301 1.142 ( -2.074 5.700 5.667) 8.301 1.421 ( 0.197 -2.999 3.610) 4.698 1.421 ( 0.197 2.999 3.610) 4.698 1.495 ( 2.300 -8.944 3.521) 9.883 1.495 ( 2.300 8.944 3.521) 9.883 1.641 ( 3.871 -5.457 7.012) 9.692 1.641 ( 3.871 5.457 7.012) 9.692 1.738 ( -1.930 -1.445 -0.719) 2.516 1.738 ( -1.930 1.445 -0.719) 2.516 1.932 ( -0.313 -3.711 2.831) 4.678 1.932 ( -0.313 3.711 2.831) 4.678 2.044 ( -2.546 -3.145 4.570) 6.104 2.044 ( -2.546 3.145 4.570) 6.104 2.157 ( -2.789 -1.800 3.918) 5.136 2.157 ( -2.789 1.800 3.918) 5.136 2.231 ( -3.194 -3.268 10.922) 11.839 2.231 ( -3.194 3.268 10.922) 11.839 2.363 ( -7.620 -2.675 0.979) 8.135 2.363 ( -7.620 2.675 0.979) 8.135 2.441 ( -0.378 -8.296 2.076) 8.561 2.441 ( -0.378 8.296 2.076) 8.561 2.525 ( -1.770 -5.238 1.942) 5.861 2.525 ( -1.770 5.238 1.942) 5.861 2.698 ( 2.953 -0.955 2.546) 4.014 2.698 ( 2.953 0.955 2.546) 4.014 2.802 ( -2.205 -5.394 -2.096) 6.193 2.802 ( -2.205 5.394 -2.096) 6.193 2.895 ( 1.763 -1.806 2.719) 3.710 2.895 ( 1.763 1.806 2.719) 3.710 2.989 ( 2.317 -5.670 2.584) 6.648 2.989 ( 2.317 5.670 2.584) 6.648 3.261 ( 1.210 -5.173 3.001) 6.102 3.261 ( 1.210 5.173 3.001) 6.102 3.454 ( -3.147 -0.975 0.384) 3.317 3.454 ( -3.147 0.975 0.384) 3.317 3.580 ( -2.252 -2.965 -0.915) 3.834 3.580 ( -2.252 2.965 -0.915) 3.834 3.755 ( 5.179 -2.363 4.016) 6.967 3.755 ( 5.179 2.363 4.016) 6.967 3.838 ( -2.750 -6.411 1.909) 7.232 3.838 ( -2.750 6.411 1.909) 7.232 4.104 ( 1.438 -4.707 -1.793) 5.238 4.104 ( 1.438 4.707 -1.793) 5.238 4.217 ( -0.514 -7.372 2.169) 7.702 4.217 ( -0.514 7.372 2.169) 7.702 4.390 ( -0.161 -4.209 1.810) 4.584 4.390 ( -0.161 4.209 1.810) 4.584 4.486 ( -0.822 -5.119 0.812) 5.248 4.486 ( -0.822 5.119 0.812) 5.248 4.764 ( -1.798 -2.862 -0.589) 3.431 4.764 ( -1.798 2.862 -0.589) 3.431 4.859 ( 0.286 -7.603 -1.726) 7.802 4.859 ( 0.286 7.603 -1.726) 7.802 5.140 ( 2.791 -3.698 0.277) 4.642 5.140 ( 2.791 3.698 0.277) 4.642 5.379 ( 3.479 -3.805 -2.698) 5.819 5.379 ( 3.479 3.805 -2.698) 5.819 5.572 ( -0.939 -7.283 2.105) 7.639 5.572 ( -0.939 7.283 2.105) 7.639 5.633 ( -1.089 -10.043 0.871) 10.140 5.633 ( -1.089 10.043 0.871) 10.140 5.846 ( -3.236 -2.153 -3.391) 5.158 5.846 ( -3.236 2.153 -3.391) 5.158 6.047 ( 0.021 -3.216 -2.066) 3.822 6.047 ( 0.021 3.216 -2.066) 3.822 6.311 ( 2.356 -0.800 -0.221) 2.498 6.311 ( 2.356 0.800 -0.221) 2.498 6.855 ( -3.061 -1.855 2.727) 4.499 6.855 ( -3.061 1.855 2.727) 4.499 6.959 ( 1.985 -3.246 3.319) 5.049 6.959 ( 1.985 3.246 3.319) 5.049 7.200 ( -1.016 -1.832 1.324) 2.478 7.200 ( -1.016 1.832 1.324) 2.478 7.505 ( 0.466 -4.584 -1.399) 4.816 7.505 ( 0.466 4.584 -1.399) 4.816 7.974 ( 0.456 -5.179 1.021) 5.298 7.974 ( 0.456 5.179 1.021) 5.298 8.136 ( -0.312 -6.219 -0.352) 6.236 8.136 ( -0.312 6.219 -0.352) 6.236 8.521 ( 1.556 -1.035 -6.652) 6.910 8.521 ( 1.556 1.035 -6.652) 6.910 8.754 ( 0.745 -1.620 -4.824) 5.143 8.754 ( 0.745 1.620 -4.824) 5.143 8.821 ( 0.246 -0.822 -7.424) 7.473 8.821 ( 0.246 0.822 -7.424) 7.473 9.623 ( -1.623 -2.284 -3.308) 4.335 9.623 ( -1.623 2.284 -3.308) 4.335 9.955 ( 0.757 -4.183 -2.415) 4.889 9.955 ( 0.757 4.183 -2.415) 4.889 10.245 ( 0.511 -5.398 1.322) 5.581 10.245 ( 0.511 5.398 1.322) 5.581 10.806 ( 0.369 -9.563 2.314) 9.846 10.806 ( 0.369 9.563 2.314) 9.846 11.237 ( -0.706 -3.273 -2.136) 3.971 11.237 ( -0.706 3.273 -2.136) 3.971 11.397 ( 0.707 -2.931 -3.338) 4.498 11.397 ( 0.707 2.931 -3.338) 4.498 11.795 ( 0.971 -1.150 -2.429) 2.858 11.795 ( 0.971 1.150 -2.429) 2.858 12.015 ( 0.231 -1.868 -1.898) 2.673 12.015 ( 0.231 1.868 -1.898) 2.673 12.066 ( 2.116 -4.808 -2.762) 5.934 12.066 ( 2.116 4.808 -2.762) 5.934 12.512 ( 2.869 -3.892 -4.276) 6.455 12.512 ( 2.869 3.892 -4.276) 6.455 12.773 ( -2.976 -5.481 1.637) 6.448 12.773 ( -2.976 5.481 1.637) 6.448 12.841 ( 0.353 -6.604 -0.685) 6.649 12.841 ( 0.353 6.604 -0.685) 6.649 13.021 ( -0.543 -2.311 -1.735) 2.941 13.021 ( -0.543 2.311 -1.735) 2.941 13.477 ( 0.864 -3.145 -1.646) 3.654 13.477 ( 0.864 3.145 -1.646) 3.654 13.671 ( 1.142 -4.262 5.104) 6.747 13.671 ( 1.142 4.262 5.104) 6.747 14.221 ( 0.210 -1.165 -1.444) 1.868 14.221 ( 0.210 1.165 -1.444) 1.868 14.495 ( -0.748 -0.826 3.516) 3.689 14.495 ( -0.748 0.826 3.516) 3.689 14.602 ( -3.224 -4.067 4.124) 6.629 14.602 ( -3.224 4.067 4.124) 6.629 21.491 ( 0.033 -2.348 -0.741) 2.462 21.491 ( 0.033 2.348 -0.741) 2.462 21.802 ( 1.662 -2.900 0.107) 3.344 21.802 ( 1.662 2.900 0.107) 3.344 22.156 ( -0.261 -3.725 -3.120) 4.866 22.156 ( -0.261 3.725 -3.120) 4.866 22.368 ( 1.362 -5.826 -4.235) 7.330 22.368 ( 1.362 5.826 -4.235) 7.330 22.685 ( 1.219 -0.514 -1.824) 2.254 22.685 ( 1.219 0.514 -1.824) 2.254 22.775 ( -1.715 -1.868 -6.320) 6.809 22.775 ( -1.715 1.868 -6.320) 6.809 23.050 ( 2.346 -1.019 -2.557) 3.616 23.050 ( 2.346 1.019 -2.557) 3.616 23.117 ( 0.910 -1.979 -7.163) 7.486 23.117 ( 0.910 1.979 -7.163) 7.486 23.316 ( 0.621 -0.975 -1.534) 1.921 23.316 ( 0.621 0.975 -1.534) 1.921 23.480 ( 0.952 -1.389 2.934) 3.383 23.480 ( 0.952 1.389 2.934) 3.383 23.677 ( 0.610 -3.226 9.889) 10.420 23.677 ( 0.610 3.226 9.889) 10.420 23.889 ( -5.064 -2.608 15.633) 16.638 23.889 ( -5.064 2.608 15.633) 16.638 24.132 ( 0.252 -5.491 5.941) 8.094 24.132 ( 0.252 5.491 5.941) 8.094 24.636 ( -2.292 -3.901 -1.620) 4.806 24.636 ( -2.292 3.901 -1.620) 4.806 24.915 ( 1.291 -1.523 -2.151) 2.935 24.915 ( 1.291 1.523 -2.151) 2.935 25.110 ( -0.360 -5.844 -2.099) 6.220 25.110 ( -0.360 5.844 -2.099) 6.220 ======================= Grid point 43 (24/63) ======================= q-point: (-0.20 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -4.842 -5.706 7.540) 10.623 0.951 ( -4.842 5.706 7.540) 10.623 1.079 ( -6.834 -2.678 7.680) 10.623 1.079 ( -6.834 2.678 7.680) 10.623 1.395 ( -2.741 -4.672 3.196) 6.289 1.395 ( -2.741 4.672 3.196) 6.289 1.547 ( -2.458 -11.878 2.920) 12.477 1.547 ( -2.458 11.878 2.920) 12.477 1.630 ( -5.631 -4.262 8.850) 11.323 1.630 ( -5.631 4.262 8.850) 11.323 1.726 ( 0.430 -2.007 0.673) 2.160 1.726 ( 0.430 2.007 0.673) 2.160 1.906 ( -2.875 -1.992 1.291) 3.728 1.906 ( -2.875 1.992 1.291) 3.728 2.012 ( 1.252 -7.618 0.668) 7.749 2.012 ( 1.252 7.618 0.668) 7.749 2.113 ( -0.103 -3.042 0.334) 3.062 2.113 ( -0.103 3.042 0.334) 3.062 2.213 ( -2.117 -1.844 11.268) 11.613 2.213 ( -2.117 1.844 11.268) 11.613 2.257 ( -0.179 -9.198 5.978) 10.971 2.257 ( -0.179 9.198 5.978) 10.971 2.450 ( -0.627 -4.738 4.131) 6.317 2.450 ( -0.627 4.738 4.131) 6.317 2.568 ( 3.790 -6.993 2.988) 8.497 2.568 ( 3.790 6.993 2.988) 8.497 2.642 ( -7.239 -2.018 1.798) 7.727 2.642 ( -7.239 2.018 1.798) 7.727 2.772 ( 0.831 -4.433 -0.158) 4.513 2.772 ( 0.831 4.433 -0.158) 4.513 2.915 ( 0.302 -3.112 2.007) 3.715 2.915 ( 0.302 3.112 2.007) 3.715 3.110 ( 4.362 -8.629 0.769) 9.700 3.110 ( 4.362 8.629 0.769) 9.700 3.251 ( -2.223 -4.663 1.280) 5.322 3.251 ( -2.223 4.663 1.280) 5.322 3.465 ( 2.844 -1.263 2.746) 4.150 3.465 ( 2.844 1.263 2.746) 4.150 3.568 ( 2.114 -3.785 -1.171) 4.491 3.568 ( 2.114 3.785 -1.171) 4.491 3.720 ( -4.717 -0.660 2.655) 5.453 3.720 ( -4.717 0.660 2.655) 5.453 3.883 ( 0.685 -4.833 2.455) 5.464 3.883 ( 0.685 4.833 2.455) 5.464 4.094 ( -1.185 -5.106 1.804) 5.543 4.094 ( -1.185 5.106 1.804) 5.543 4.184 ( -1.742 -1.983 -2.863) 3.894 4.184 ( -1.742 1.983 -2.863) 3.894 4.402 ( -4.292 -4.316 -0.329) 6.096 4.402 ( -4.292 4.316 -0.329) 6.096 4.471 ( 3.635 -1.699 -0.075) 4.013 4.471 ( 3.635 1.699 -0.075) 4.013 4.740 ( 1.365 -5.109 -0.504) 5.313 4.740 ( 1.365 5.109 -0.504) 5.313 4.897 ( 1.397 -9.463 1.663) 9.709 4.897 ( 1.397 9.463 1.663) 9.709 5.198 ( 2.646 -1.321 -3.490) 4.575 5.198 ( 2.646 1.321 -3.490) 4.575 5.403 ( -0.566 -6.788 -2.136) 7.138 5.403 ( -0.566 6.788 -2.136) 7.138 5.544 ( -1.519 -8.181 0.418) 8.332 5.544 ( -1.519 8.181 0.418) 8.332 5.637 ( 1.011 -5.090 0.768) 5.246 5.637 ( 1.011 5.090 0.768) 5.246 5.824 ( 1.417 -2.120 -1.121) 2.786 5.824 ( 1.417 2.120 -1.121) 2.786 5.978 ( -5.270 -0.758 -0.456) 5.344 5.978 ( -5.270 0.758 -0.456) 5.344 6.352 ( 1.008 -4.608 0.492) 4.743 6.352 ( 1.008 4.608 0.492) 4.743 6.815 ( -0.598 -4.401 0.392) 4.458 6.815 ( -0.598 4.401 0.392) 4.458 6.998 ( -0.229 -1.420 4.583) 4.804 6.998 ( -0.229 1.420 4.583) 4.804 7.182 ( -0.480 -3.683 1.595) 4.042 7.182 ( -0.480 3.683 1.595) 4.042 7.476 ( -2.532 -5.394 -0.398) 5.972 7.476 ( -2.532 5.394 -0.398) 5.972 7.994 ( 0.844 -2.934 1.067) 3.234 7.994 ( 0.844 2.934 1.067) 3.234 8.118 ( -1.141 -7.230 -0.518) 7.338 8.118 ( -1.141 7.230 -0.518) 7.338 8.532 ( 1.179 -1.752 -6.083) 6.439 8.532 ( 1.179 1.752 -6.083) 6.439 8.763 ( 1.501 -1.974 -6.589) 7.040 8.763 ( 1.501 1.974 -6.589) 7.040 8.812 ( 1.261 -0.789 -6.145) 6.322 8.812 ( 1.261 0.789 -6.145) 6.322 9.576 ( -1.290 -3.012 -2.880) 4.363 9.576 ( -1.290 3.012 -2.880) 4.363 9.957 ( 0.119 -4.810 -2.068) 5.237 9.957 ( 0.119 4.810 -2.068) 5.237 10.262 ( 0.472 -5.164 1.070) 5.295 10.262 ( 0.472 5.164 1.070) 5.295 10.843 ( 2.041 -9.694 1.990) 10.104 10.843 ( 2.041 9.694 1.990) 10.104 11.222 ( -0.254 -0.992 -3.565) 3.709 11.222 ( -0.254 0.992 -3.565) 3.709 11.386 ( -0.185 -3.812 -3.107) 4.921 11.386 ( -0.185 3.812 -3.107) 4.921 11.786 ( -0.767 -3.314 -3.568) 4.930 11.786 ( -0.767 3.314 -3.568) 4.930 12.017 ( 0.641 -1.627 -4.507) 4.834 12.017 ( 0.641 1.627 -4.507) 4.834 12.137 ( 4.263 -2.353 2.521) 5.482 12.137 ( 4.263 2.353 2.521) 5.482 12.553 ( 1.327 -5.032 -8.306) 9.802 12.553 ( 1.327 5.032 -8.306) 9.802 12.728 ( -0.682 -2.668 2.833) 3.950 12.728 ( -0.682 2.668 2.833) 3.950 12.846 ( -0.184 -4.299 -0.267) 4.311 12.846 ( -0.184 4.299 -0.267) 4.311 12.996 ( -0.945 -1.221 -1.417) 2.096 12.996 ( -0.945 1.221 -1.417) 2.096 13.511 ( 2.723 -4.058 -4.918) 6.933 13.511 ( 2.723 4.058 -4.918) 6.933 13.755 ( 5.250 -1.922 8.147) 9.881 13.755 ( 5.250 1.922 8.147) 9.881 14.202 ( -2.674 -2.098 1.291) 3.636 14.202 ( -2.674 2.098 1.291) 3.636 14.466 ( -9.048 -3.136 4.984) 10.796 14.466 ( -9.048 3.136 4.984) 10.796 14.490 ( -1.225 -0.569 1.989) 2.404 14.490 ( -1.225 0.569 1.989) 2.404 21.488 ( -0.039 -2.484 -0.571) 2.549 21.488 ( -0.039 2.484 -0.571) 2.549 21.844 ( 1.415 -2.039 0.137) 2.485 21.844 ( 1.415 2.039 0.137) 2.485 22.173 ( 4.380 -5.427 -4.350) 8.219 22.173 ( 4.380 5.427 -4.350) 8.219 22.355 ( -1.961 -3.131 -6.767) 7.710 22.355 ( -1.961 3.131 -6.767) 7.710 22.704 ( -2.470 -1.748 -4.442) 5.375 22.704 ( -2.470 1.748 -4.442) 5.375 22.727 ( 2.780 -2.056 -3.765) 5.112 22.727 ( 2.780 2.056 -3.765) 5.112 23.024 ( -2.813 -2.871 -8.441) 9.349 23.024 ( -2.813 2.871 -8.441) 9.349 23.172 ( 4.770 -1.747 -2.497) 5.660 23.172 ( 4.770 1.747 -2.497) 5.660 23.355 ( 2.708 -1.378 -0.616) 3.100 23.355 ( 2.708 1.378 -0.616) 3.100 23.472 ( -2.130 -1.035 2.706) 3.596 23.472 ( -2.130 1.035 2.706) 3.596 23.726 ( -0.198 -2.379 10.467) 10.736 23.726 ( -0.198 2.379 10.467) 10.736 23.871 ( 0.123 -2.915 11.305) 11.675 23.871 ( 0.123 2.915 11.305) 11.675 24.162 ( 0.102 -2.027 12.505) 12.668 24.162 ( 0.102 2.027 12.505) 12.668 24.567 ( -2.963 -5.515 -1.476) 6.432 24.567 ( -2.963 5.515 -1.476) 6.432 24.931 ( 0.628 -2.262 -2.195) 3.214 24.931 ( 0.628 2.262 -2.195) 3.214 25.087 ( -1.023 -3.382 -1.991) 4.056 25.087 ( -1.023 3.382 -1.991) 4.056 ======================= Grid point 50 (25/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 2.884 0.000 15.598) 15.862 0.807 ( 7.747 0.000 21.099) 22.476 1.154 ( 1.238 0.000 4.506) 4.673 1.330 ( -6.967 0.000 3.705) 7.890 1.408 ( -9.049 0.000 8.313) 12.288 1.505 ( -4.192 0.000 0.042) 4.192 1.554 ( -1.637 0.000 -0.991) 1.914 1.581 ( 5.771 0.000 0.261) 5.776 1.690 ( -1.624 0.000 6.573) 6.770 1.754 ( -0.958 0.000 2.061) 2.273 1.773 ( -0.164 0.000 11.807) 11.809 1.849 ( 0.975 0.000 0.984) 1.386 1.956 ( -0.562 0.000 -0.095) 0.570 1.956 ( 1.170 0.000 2.799) 3.033 2.006 ( 0.581 0.000 3.888) 3.931 2.011 ( 0.365 0.000 4.044) 4.061 2.242 ( 1.273 0.000 0.341) 1.318 2.258 ( 1.847 0.000 6.457) 6.716 2.263 ( -1.303 0.000 9.884) 9.970 2.370 ( -0.073 0.000 3.950) 3.950 2.376 ( -3.039 0.000 12.243) 12.615 2.439 ( -0.327 0.000 3.797) 3.812 2.492 ( 0.583 0.000 1.329) 1.451 2.547 ( -4.542 0.000 2.045) 4.982 2.602 ( 3.583 0.000 10.033) 10.654 2.657 ( -2.477 0.000 2.073) 3.230 2.735 ( -8.296 0.000 3.320) 8.936 2.805 ( 2.993 0.000 -0.987) 3.151 2.810 ( -5.258 0.000 1.213) 5.396 2.921 ( -3.822 0.000 7.451) 8.374 2.931 ( -1.792 0.000 10.116) 10.273 2.950 ( -0.212 0.000 11.687) 11.689 3.085 ( 2.939 0.000 6.573) 7.200 3.149 ( -1.594 0.000 1.310) 2.064 3.342 ( -1.319 0.000 3.780) 4.004 3.371 ( 1.353 0.000 -0.080) 1.355 3.504 ( -5.720 0.000 -2.594) 6.281 3.546 ( -1.757 0.000 -1.077) 2.061 3.557 ( 4.378 0.000 -4.340) 6.164 3.574 ( -3.329 0.000 -4.931) 5.950 3.723 ( 2.504 0.000 6.623) 7.080 3.766 ( -4.049 0.000 0.255) 4.057 3.947 ( -4.225 0.000 2.135) 4.734 4.004 ( 2.702 0.000 -5.015) 5.697 4.020 ( -0.827 0.000 5.618) 5.679 4.064 ( 1.723 0.000 -1.069) 2.028 4.169 ( 2.776 0.000 1.838) 3.329 4.183 ( 5.964 0.000 4.220) 7.306 4.330 ( -0.593 0.000 -1.702) 1.802 4.436 ( 0.319 0.000 0.866) 0.923 4.494 ( -0.612 0.000 0.154) 0.631 4.595 ( 4.193 0.000 1.494) 4.451 4.611 ( 8.271 0.000 3.735) 9.075 4.765 ( -4.913 0.000 0.610) 4.950 4.955 ( -1.313 0.000 -0.903) 1.593 4.993 ( 0.501 0.000 -3.251) 3.289 5.151 ( 0.083 0.000 -3.581) 3.582 5.187 ( 8.209 0.000 1.373) 8.323 5.263 ( -6.972 0.000 -2.629) 7.451 5.313 ( -5.278 0.000 1.471) 5.480 5.539 ( 1.815 0.000 -1.554) 2.389 5.586 ( 2.837 0.000 1.858) 3.391 5.637 ( 4.936 0.000 0.875) 5.013 5.731 ( -2.181 0.000 0.294) 2.201 5.757 ( -3.059 0.000 2.990) 4.278 5.849 ( 1.175 0.000 3.033) 3.252 5.925 ( -4.872 0.000 1.083) 4.991 5.959 ( 4.082 0.000 -0.673) 4.137 6.223 ( -3.899 0.000 7.235) 8.219 6.438 ( 0.043 0.000 0.111) 0.119 6.732 ( -0.635 0.000 2.578) 2.655 6.856 ( -3.434 0.000 -0.804) 3.527 7.032 ( 0.097 0.000 -2.195) 2.197 7.051 ( -1.429 0.000 0.874) 1.675 7.221 ( 1.119 0.000 4.073) 4.224 7.312 ( 1.480 0.000 -0.479) 1.556 7.349 ( -0.346 0.000 2.266) 2.292 7.545 ( -3.458 0.000 -2.548) 4.295 7.879 ( -0.169 0.000 5.257) 5.259 7.947 ( 0.041 0.000 -5.242) 5.242 8.063 ( -0.108 0.000 0.542) 0.553 8.241 ( -0.667 0.000 -5.760) 5.798 8.290 ( 1.775 0.000 -12.449) 12.575 8.431 ( 5.010 0.000 -7.816) 9.284 8.501 ( 1.601 0.000 -14.508) 14.596 8.573 ( 0.591 0.000 -13.496) 13.508 8.741 ( 3.122 0.000 -2.669) 4.108 8.847 ( 0.749 0.000 -1.128) 1.354 9.391 ( 0.438 0.000 -3.456) 3.484 9.668 ( 2.097 0.000 -6.655) 6.978 9.734 ( 1.342 0.000 0.630) 1.483 10.049 ( 0.090 0.000 -5.371) 5.372 10.114 ( -0.340 0.000 4.242) 4.256 10.545 ( 1.057 0.000 -2.066) 2.320 10.713 ( -0.109 0.000 13.545) 13.546 10.912 ( -0.334 0.000 -9.325) 9.331 11.111 ( -0.033 0.000 -8.378) 8.378 11.112 ( -0.346 0.000 -4.789) 4.802 11.328 ( 2.374 0.000 -4.244) 4.862 11.378 ( 4.667 0.000 -8.256) 9.484 11.727 ( -0.434 0.000 -4.123) 4.146 11.841 ( 2.954 0.000 0.641) 3.023 11.916 ( -7.143 0.000 0.528) 7.163 11.939 ( 1.500 0.000 -0.898) 1.748 12.103 ( 0.294 0.000 0.144) 0.328 12.168 ( -3.953 0.000 3.115) 5.033 12.324 ( 3.962 0.000 -0.288) 3.972 12.521 ( 2.902 0.000 -6.642) 7.249 12.636 ( -5.111 0.000 0.139) 5.112 12.748 ( -3.328 0.000 1.395) 3.608 12.812 ( -0.117 0.000 -0.690) 0.700 12.907 ( -0.759 0.000 -1.001) 1.257 12.958 ( 1.599 0.000 0.833) 1.803 13.178 ( 4.680 0.000 -1.696) 4.978 13.223 ( 1.680 0.000 -3.827) 4.179 13.560 ( 3.353 0.000 -10.278) 10.811 13.920 ( -2.660 0.000 7.803) 8.243 14.127 ( -3.697 0.000 3.983) 5.434 14.138 ( 4.344 0.000 4.180) 6.029 14.251 ( -1.091 0.000 0.244) 1.118 14.346 ( -12.233 0.000 7.561) 14.381 14.512 ( 1.527 0.000 2.155) 2.641 14.527 ( -1.628 0.000 5.025) 5.283 14.532 ( 0.493 0.000 2.603) 2.649 21.419 ( -0.499 0.000 0.099) 0.509 21.512 ( -1.042 0.000 -1.943) 2.205 21.697 ( 2.645 0.000 2.721) 3.795 21.809 ( 2.002 0.000 -1.234) 2.352 21.908 ( 0.364 0.000 -3.311) 3.331 22.181 ( -2.304 0.000 -2.962) 3.753 22.219 ( -1.107 0.000 -3.348) 3.526 22.308 ( 4.285 0.000 -3.595) 5.594 22.528 ( 4.430 0.000 -11.481) 12.306 22.551 ( 0.615 0.000 -5.643) 5.677 22.659 ( -2.109 0.000 -2.681) 3.411 22.675 ( 0.708 0.000 -0.704) 0.998 22.778 ( -0.872 0.000 -5.360) 5.430 22.837 ( -2.199 0.000 -8.763) 9.035 23.194 ( -1.508 0.000 0.962) 1.788 23.274 ( 2.361 0.000 1.754) 2.941 23.280 ( -1.303 0.000 -0.408) 1.365 23.370 ( 1.572 0.000 -1.157) 1.952 23.615 ( 0.524 0.000 7.979) 7.996 23.693 ( -4.566 0.000 7.664) 8.921 23.867 ( -2.519 0.000 7.043) 7.480 23.925 ( 1.808 0.000 7.519) 7.733 24.013 ( -3.252 0.000 7.799) 8.450 24.026 ( 0.555 0.000 7.677) 7.697 24.291 ( -3.007 0.000 12.184) 12.550 24.358 ( 1.932 0.000 0.174) 1.939 24.726 ( 2.598 0.000 -9.101) 9.465 24.738 ( 0.225 0.000 2.579) 2.589 24.861 ( -7.145 0.000 -3.957) 8.167 24.975 ( -0.901 0.000 -0.597) 1.081 24.981 ( -1.223 0.000 2.169) 2.490 25.020 ( 9.343 0.000 -2.015) 9.558 ======================= Grid point 51 (26/63) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 6.656 0.000 13.116) 14.709 1.035 ( 3.537 0.000 17.182) 17.543 1.176 ( -1.995 0.000 5.242) 5.609 1.188 ( -8.498 0.000 2.027) 8.736 1.421 ( -2.202 0.000 -1.615) 2.731 1.437 ( 10.701 0.000 10.895) 15.271 1.527 ( -0.790 0.000 -1.057) 1.320 1.632 ( 2.799 0.000 -4.639) 5.418 1.698 ( 0.229 0.000 6.058) 6.063 1.751 ( 0.443 0.000 1.488) 1.553 1.817 ( 0.090 0.000 12.132) 12.132 1.896 ( 2.316 0.000 7.531) 7.879 1.953 ( -4.002 0.000 7.948) 8.899 1.974 ( -1.774 0.000 -2.723) 3.250 1.996 ( 3.562 0.000 1.698) 3.946 2.151 ( -10.386 0.000 7.760) 12.965 2.193 ( -6.088 0.000 6.346) 8.794 2.203 ( 14.197 0.000 3.374) 14.592 2.295 ( 0.597 0.000 6.215) 6.244 2.315 ( -7.157 0.000 3.475) 7.956 2.437 ( 6.188 0.000 8.559) 10.562 2.458 ( -4.068 0.000 2.061) 4.560 2.484 ( 0.285 0.000 1.612) 1.637 2.496 ( 6.020 0.000 1.806) 6.285 2.613 ( -2.214 0.000 3.699) 4.312 2.643 ( 0.062 0.000 4.827) 4.828 2.748 ( 3.586 0.000 9.804) 10.440 2.811 ( 0.098 0.000 -0.121) 0.156 2.831 ( -2.089 0.000 -4.598) 5.050 2.848 ( -0.452 0.000 5.289) 5.309 2.951 ( -0.245 0.000 3.702) 3.710 2.992 ( -0.556 0.000 10.312) 10.327 3.090 ( -3.565 0.000 2.448) 4.324 3.186 ( 5.113 0.000 4.607) 6.882 3.317 ( -3.762 0.000 7.524) 8.412 3.347 ( -2.043 0.000 1.311) 2.428 3.405 ( -1.781 0.000 1.002) 2.044 3.432 ( -6.715 0.000 1.326) 6.845 3.463 ( -2.425 0.000 1.166) 2.691 3.695 ( 6.428 0.000 -5.755) 8.628 3.725 ( 1.883 0.000 0.057) 1.884 3.740 ( -3.461 0.000 5.045) 6.118 3.917 ( 0.514 0.000 -0.519) 0.730 3.972 ( -5.429 0.000 7.901) 9.586 4.014 ( -0.753 0.000 -7.628) 7.665 4.057 ( -3.649 0.000 -2.274) 4.299 4.212 ( 0.827 0.000 3.241) 3.345 4.263 ( 1.415 0.000 3.627) 3.893 4.373 ( 3.012 0.000 4.431) 5.358 4.452 ( 0.792 0.000 2.409) 2.535 4.476 ( -0.970 0.000 3.063) 3.214 4.612 ( -2.239 0.000 1.695) 2.808 4.764 ( 1.215 0.000 -7.948) 8.041 4.842 ( 10.770 0.000 2.460) 11.047 4.958 ( 2.130 0.000 -1.404) 2.551 4.966 ( -0.097 0.000 -2.052) 2.054 5.122 ( -2.144 0.000 -5.348) 5.762 5.136 ( -2.606 0.000 -2.997) 3.972 5.184 ( -6.116 0.000 -0.001) 6.116 5.352 ( 2.073 0.000 1.324) 2.460 5.565 ( 0.753 0.000 -0.290) 0.807 5.672 ( 1.101 0.000 2.687) 2.904 5.692 ( -2.166 0.000 7.595) 7.898 5.742 ( 3.560 0.000 -2.286) 4.231 5.770 ( 4.915 0.000 -3.671) 6.134 5.854 ( 1.566 0.000 2.675) 3.100 5.871 ( 1.162 0.000 2.502) 2.759 6.013 ( 0.132 0.000 1.625) 1.630 6.224 ( 1.538 0.000 2.607) 3.027 6.373 ( -5.234 0.000 -0.230) 5.240 6.748 ( 1.340 0.000 2.002) 2.409 6.832 ( 1.315 0.000 -0.870) 1.576 7.000 ( -2.083 0.000 -0.834) 2.244 7.052 ( 1.378 0.000 0.847) 1.617 7.239 ( -0.801 0.000 4.276) 4.350 7.338 ( -1.089 0.000 2.581) 2.801 7.348 ( 1.592 0.000 -1.852) 2.442 7.487 ( -0.240 0.000 -1.517) 1.536 7.884 ( -0.866 0.000 4.797) 4.874 7.964 ( 2.595 0.000 -5.643) 6.211 8.056 ( -0.516 0.000 -0.470) 0.698 8.207 ( -0.653 0.000 -5.467) 5.506 8.278 ( 0.933 0.000 -13.305) 13.338 8.491 ( 1.611 0.000 -12.753) 12.854 8.492 ( 1.123 0.000 -2.975) 3.180 8.549 ( 2.737 0.000 -17.922) 18.130 8.776 ( 0.436 0.000 -2.155) 2.199 8.836 ( -1.106 0.000 -2.124) 2.394 9.415 ( 2.905 0.000 -6.787) 7.383 9.701 ( 2.354 0.000 -6.315) 6.740 9.751 ( -0.161 0.000 -0.561) 0.584 10.021 ( -0.775 0.000 -5.584) 5.637 10.110 ( -1.206 0.000 4.290) 4.457 10.520 ( -2.209 0.000 -2.271) 3.168 10.744 ( -1.566 0.000 14.623) 14.707 10.924 ( 4.088 0.000 -9.003) 9.888 11.102 ( 1.728 0.000 -8.514) 8.687 11.104 ( 0.150 0.000 -2.912) 2.916 11.381 ( 4.443 0.000 -7.044) 8.328 11.454 ( 3.554 0.000 -5.280) 6.364 11.713 ( 1.095 0.000 -7.404) 7.485 11.745 ( -8.309 0.000 0.845) 8.351 11.887 ( 0.878 0.000 3.099) 3.221 11.916 ( -4.885 0.000 -4.059) 6.351 12.055 ( -2.142 0.000 4.461) 4.949 12.125 ( 1.686 0.000 -1.397) 2.189 12.390 ( 1.649 0.000 0.223) 1.664 12.531 ( -4.312 0.000 0.623) 4.357 12.593 ( 4.029 0.000 -4.378) 5.949 12.721 ( -0.205 0.000 3.260) 3.267 12.804 ( -0.289 0.000 -0.774) 0.826 12.878 ( -1.031 0.000 -2.001) 2.251 12.997 ( 1.559 0.000 -1.957) 2.502 13.263 ( 3.001 0.000 1.753) 3.475 13.286 ( 4.526 0.000 -2.873) 5.360 13.565 ( -0.746 0.000 -9.385) 9.414 13.828 ( -9.064 0.000 7.960) 12.063 13.964 ( -7.304 0.000 7.268) 10.305 14.040 ( -3.232 0.000 0.500) 3.270 14.253 ( 0.611 0.000 0.277) 0.671 14.423 ( 4.801 0.000 5.691) 7.446 14.552 ( 0.834 0.000 2.293) 2.440 14.572 ( 2.015 0.000 4.243) 4.697 14.582 ( 5.213 0.000 5.122) 7.308 21.413 ( -0.031 0.000 0.041) 0.051 21.493 ( -0.007 0.000 -1.978) 1.978 21.775 ( 2.964 0.000 1.441) 3.295 21.820 ( -0.298 0.000 -1.669) 1.695 21.913 ( 1.227 0.000 -1.551) 1.978 22.101 ( -2.097 0.000 -6.762) 7.080 22.186 ( -0.815 0.000 -3.217) 3.319 22.452 ( 7.822 0.000 -8.085) 11.250 22.558 ( 1.495 0.000 -5.794) 5.984 22.640 ( 1.514 0.000 -2.111) 2.598 22.669 ( 1.003 0.000 -2.438) 2.636 22.691 ( 7.662 0.000 -6.623) 10.128 22.749 ( -0.054 0.000 -4.917) 4.917 22.825 ( 4.671 0.000 -6.653) 8.129 23.148 ( -2.664 0.000 1.519) 3.067 23.242 ( -6.155 0.000 0.815) 6.209 23.252 ( -1.107 0.000 0.019) 1.107 23.391 ( 0.777 0.000 -1.536) 1.721 23.588 ( -6.174 0.000 6.278) 8.805 23.612 ( -2.397 0.000 8.756) 9.078 23.807 ( -3.566 0.000 9.492) 10.140 23.917 ( -2.133 0.000 5.268) 5.684 23.992 ( -1.107 0.000 9.091) 9.158 24.166 ( 5.741 0.000 5.594) 8.016 24.287 ( -1.258 0.000 13.654) 13.712 24.400 ( 0.202 0.000 0.121) 0.236 24.618 ( -10.815 0.000 1.923) 10.985 24.741 ( 1.787 0.000 -8.201) 8.393 24.768 ( 1.628 0.000 2.558) 3.032 24.926 ( -2.443 0.000 -0.888) 2.600 24.957 ( -1.301 0.000 1.111) 1.711 25.172 ( 3.940 0.000 -4.534) 6.006 ======================= Grid point 52 (27/63) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 5.000 0.000 8.297) 9.688 1.068 ( -8.873 0.000 5.030) 10.199 1.094 ( -0.941 0.000 8.066) 8.121 1.186 ( 7.564 0.000 10.790) 13.177 1.425 ( 2.594 0.000 -0.688) 2.684 1.487 ( -3.837 0.000 -5.158) 6.428 1.531 ( -0.349 0.000 -0.644) 0.733 1.704 ( 0.301 0.000 4.378) 4.388 1.727 ( -0.343 0.000 7.786) 7.794 1.774 ( 0.583 0.000 0.497) 0.766 1.868 ( -2.569 0.000 5.935) 6.468 1.881 ( -5.453 0.000 9.554) 11.001 1.935 ( -4.712 0.000 5.414) 7.177 1.994 ( 2.109 0.000 9.490) 9.721 2.025 ( 6.123 0.000 6.677) 9.060 2.045 ( -2.466 0.000 0.587) 2.535 2.082 ( -0.297 0.000 2.231) 2.251 2.300 ( -0.043 0.000 7.397) 7.397 2.304 ( -0.402 0.000 1.300) 1.360 2.366 ( -2.214 0.000 0.432) 2.255 2.417 ( -3.938 0.000 -2.272) 4.547 2.500 ( 8.837 0.000 1.627) 8.985 2.568 ( -0.635 0.000 -2.576) 2.653 2.602 ( -5.173 0.000 4.357) 6.764 2.658 ( 0.691 0.000 6.768) 6.803 2.700 ( 7.910 0.000 5.991) 9.923 2.731 ( 1.495 0.000 5.643) 5.838 2.766 ( -2.984 0.000 4.294) 5.229 2.773 ( 0.734 0.000 5.270) 5.321 2.962 ( -0.232 0.000 4.042) 4.049 2.963 ( 3.572 0.000 2.025) 4.106 3.019 ( 5.429 0.000 4.508) 7.056 3.021 ( -4.110 0.000 4.649) 6.206 3.232 ( -4.906 0.000 8.260) 9.607 3.276 ( 0.641 0.000 2.642) 2.719 3.336 ( -5.609 0.000 9.244) 10.812 3.349 ( -0.149 0.000 -0.376) 0.405 3.431 ( 5.596 0.000 5.107) 7.576 3.463 ( 1.374 0.000 0.853) 1.617 3.676 ( -2.720 0.000 -0.710) 2.811 3.757 ( 2.776 0.000 0.738) 2.872 3.801 ( -1.071 0.000 -5.961) 6.056 3.857 ( -6.386 0.000 5.800) 8.627 3.879 ( -1.096 0.000 1.751) 2.066 3.900 ( -6.243 0.000 1.002) 6.322 3.995 ( 0.278 0.000 -1.958) 1.978 4.252 ( 2.579 0.000 0.377) 2.607 4.284 ( -0.954 0.000 8.120) 8.176 4.454 ( 3.288 0.000 3.581) 4.862 4.463 ( -1.610 0.000 4.404) 4.689 4.491 ( 0.604 0.000 5.328) 5.362 4.606 ( -0.946 0.000 -7.657) 7.715 4.717 ( 0.203 0.000 -2.053) 2.063 4.912 ( -5.635 0.000 -1.656) 5.874 4.987 ( 1.037 0.000 -2.403) 2.618 5.028 ( -2.514 0.000 -1.353) 2.855 5.080 ( 3.784 0.000 -2.723) 4.662 5.125 ( 1.803 0.000 0.478) 1.865 5.148 ( 6.763 0.000 -0.200) 6.766 5.282 ( -5.634 0.000 2.628) 6.217 5.559 ( -1.367 0.000 0.373) 1.417 5.651 ( -3.933 0.000 6.819) 7.871 5.682 ( -1.896 0.000 0.582) 1.983 5.735 ( -0.118 0.000 4.035) 4.037 5.848 ( 2.346 0.000 -3.239) 4.000 5.896 ( 1.567 0.000 -2.049) 2.579 5.968 ( -4.006 0.000 1.106) 4.156 6.030 ( 7.197 0.000 -3.072) 7.825 6.273 ( 2.615 0.000 0.691) 2.704 6.279 ( -1.963 0.000 -0.315) 1.988 6.794 ( 2.013 0.000 2.399) 3.132 6.881 ( 2.987 0.000 0.138) 2.991 6.951 ( -2.401 0.000 0.901) 2.564 7.093 ( 1.396 0.000 0.497) 1.482 7.215 ( -2.000 0.000 2.878) 3.505 7.330 ( -0.439 0.000 2.294) 2.335 7.367 ( 0.835 0.000 -1.388) 1.620 7.534 ( 4.067 0.000 -1.174) 4.233 7.874 ( -1.409 0.000 5.498) 5.676 8.000 ( 2.197 0.000 -6.568) 6.926 8.042 ( -0.091 0.000 -3.435) 3.437 8.184 ( 0.173 0.000 -4.973) 4.976 8.259 ( 1.257 0.000 -11.869) 11.935 8.461 ( -1.337 0.000 -7.019) 7.145 8.490 ( 1.765 0.000 -11.820) 11.951 8.581 ( 3.725 0.000 -14.778) 15.240 8.755 ( -1.476 0.000 -1.328) 1.985 8.801 ( -1.012 0.000 -2.799) 2.976 9.455 ( 2.467 0.000 -7.372) 7.774 9.711 ( 0.349 0.000 -6.968) 6.976 9.729 ( -1.273 0.000 -1.004) 1.621 10.001 ( 0.941 0.000 -5.762) 5.838 10.096 ( -1.152 0.000 4.146) 4.303 10.472 ( -1.047 0.000 -2.389) 2.609 10.733 ( -3.518 0.000 15.022) 15.428 10.986 ( 2.990 0.000 -10.467) 10.885 11.106 ( 1.360 0.000 0.635) 1.501 11.124 ( 2.477 0.000 -8.589) 8.939 11.457 ( -2.183 0.000 -4.027) 4.581 11.481 ( 6.761 0.000 -7.124) 9.821 11.570 ( -7.787 0.000 -1.104) 7.865 11.733 ( 2.191 0.000 -5.733) 6.138 11.834 ( 1.018 0.000 -7.234) 7.306 11.911 ( 0.666 0.000 3.919) 3.975 12.067 ( 0.293 0.000 4.259) 4.269 12.154 ( 1.168 0.000 -1.442) 1.855 12.389 ( -1.865 0.000 1.119) 2.175 12.451 ( -3.305 0.000 3.885) 5.101 12.665 ( 3.693 0.000 -3.567) 5.134 12.747 ( 2.119 0.000 2.042) 2.943 12.799 ( 0.101 0.000 -1.234) 1.238 12.867 ( 0.910 0.000 -3.165) 3.293 13.010 ( 0.380 0.000 -3.363) 3.385 13.268 ( -4.269 0.000 2.024) 4.724 13.375 ( 3.791 0.000 -1.054) 3.935 13.468 ( -4.929 0.000 -6.614) 8.249 13.705 ( -2.339 0.000 8.379) 8.699 13.909 ( -1.468 0.000 5.423) 5.618 14.024 ( 2.105 0.000 -4.707) 5.156 14.267 ( 0.604 0.000 -0.588) 0.843 14.501 ( 1.669 0.000 5.300) 5.556 14.565 ( -0.501 0.000 2.687) 2.733 14.611 ( -0.136 0.000 5.207) 5.208 14.717 ( 4.504 0.000 3.646) 5.795 21.416 ( 0.214 0.000 0.066) 0.224 21.499 ( 0.996 0.000 -1.627) 1.908 21.796 ( -0.710 0.000 -3.493) 3.564 21.810 ( 0.048 0.000 -1.835) 1.836 21.930 ( -0.674 0.000 0.936) 1.154 22.057 ( 0.045 0.000 -7.413) 7.413 22.206 ( 3.972 0.000 -1.199) 4.149 22.515 ( 0.104 0.000 -9.248) 9.248 22.572 ( 1.559 0.000 -4.980) 5.218 22.636 ( -0.363 0.000 -1.828) 1.863 22.697 ( 2.986 0.000 -1.261) 3.241 22.768 ( 3.479 0.000 -2.831) 4.486 22.848 ( 5.728 0.000 -4.556) 7.319 22.942 ( 5.556 0.000 -6.824) 8.800 23.065 ( -7.973 0.000 1.343) 8.085 23.101 ( -2.336 0.000 0.946) 2.520 23.226 ( -0.936 0.000 -2.204) 2.394 23.378 ( -1.529 0.000 -3.347) 3.680 23.544 ( 1.476 0.000 7.103) 7.255 23.573 ( -3.529 0.000 6.786) 7.649 23.774 ( -2.493 0.000 10.094) 10.397 23.919 ( 0.762 0.000 4.881) 4.940 24.030 ( 2.184 0.000 10.800) 11.019 24.198 ( -4.323 0.000 11.806) 12.573 24.291 ( -8.634 0.000 7.365) 11.348 24.346 ( 2.443 0.000 6.853) 7.275 24.511 ( -1.339 0.000 -4.831) 5.013 24.761 ( 1.594 0.000 -6.923) 7.104 24.805 ( 0.437 0.000 1.939) 1.987 24.885 ( -0.322 0.000 0.328) 0.460 24.942 ( -0.045 0.000 1.078) 1.079 25.193 ( 0.066 0.000 -5.484) 5.484 ======================= Grid point 53 (28/63) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -11.096 0.000 7.223) 13.239 1.111 ( 1.628 0.000 4.100) 4.412 1.160 ( -0.643 0.000 5.470) 5.508 1.221 ( -11.335 0.000 1.747) 11.469 1.429 ( 9.113 0.000 7.058) 11.527 1.510 ( 4.795 0.000 -0.412) 4.813 1.544 ( 1.440 0.000 0.702) 1.602 1.686 ( -4.530 0.000 8.731) 9.836 1.761 ( 0.595 0.000 2.919) 2.979 1.769 ( 0.799 0.000 -0.215) 0.827 1.810 ( -1.903 0.000 0.534) 1.976 1.848 ( -2.064 0.000 6.185) 6.520 1.930 ( -0.025 0.000 5.597) 5.597 1.970 ( -4.016 0.000 2.295) 4.625 2.000 ( -0.781 0.000 3.068) 3.166 2.094 ( 2.496 0.000 9.604) 9.923 2.125 ( -3.252 0.000 0.623) 3.311 2.290 ( 0.412 0.000 2.708) 2.739 2.308 ( 1.503 0.000 5.596) 5.794 2.318 ( -7.766 0.000 4.249) 8.853 2.374 ( -0.621 0.000 5.278) 5.314 2.413 ( -7.295 0.000 7.063) 10.154 2.541 ( -10.494 0.000 11.431) 15.518 2.551 ( 0.453 0.000 -1.899) 1.952 2.652 ( 2.218 0.000 -1.306) 2.574 2.725 ( 4.528 0.000 3.067) 5.470 2.747 ( -4.444 0.000 4.292) 6.178 2.858 ( 3.671 0.000 6.607) 7.558 2.878 ( -0.196 0.000 3.346) 3.351 2.933 ( -2.627 0.000 7.282) 7.741 3.010 ( 2.535 0.000 3.181) 4.067 3.061 ( -4.233 0.000 6.978) 8.161 3.100 ( -0.152 0.000 8.321) 8.323 3.215 ( 5.130 0.000 3.986) 6.496 3.254 ( -4.807 0.000 -3.243) 5.799 3.294 ( 4.087 0.000 5.535) 6.881 3.388 ( 4.278 0.000 2.961) 5.203 3.517 ( -5.775 0.000 0.143) 5.776 3.538 ( 3.876 0.000 2.175) 4.445 3.614 ( -3.401 0.000 2.651) 4.312 3.636 ( 0.210 0.000 -1.071) 1.091 3.764 ( 2.196 0.000 1.951) 2.937 3.862 ( 0.786 0.000 -1.667) 1.843 3.885 ( -1.806 0.000 9.377) 9.549 3.925 ( 6.007 0.000 -0.155) 6.009 4.033 ( 3.596 0.000 -1.803) 4.022 4.284 ( -1.957 0.000 6.329) 6.625 4.315 ( 2.588 0.000 -2.505) 3.602 4.404 ( -5.330 0.000 5.171) 7.427 4.475 ( -4.603 0.000 -5.495) 7.168 4.482 ( -2.566 0.000 4.926) 5.555 4.585 ( 7.510 0.000 -4.724) 8.872 4.704 ( -9.944 0.000 -0.984) 9.992 4.720 ( -3.245 0.000 -0.236) 3.254 4.965 ( -2.384 0.000 2.915) 3.766 5.010 ( 0.013 0.000 -1.866) 1.866 5.127 ( -1.243 0.000 3.690) 3.894 5.154 ( 3.890 0.000 -3.838) 5.465 5.300 ( 5.558 0.000 -1.937) 5.885 5.309 ( 5.589 0.000 4.482) 7.164 5.526 ( -0.946 0.000 -1.481) 1.758 5.553 ( -5.767 0.000 3.842) 6.929 5.628 ( -2.267 0.000 -0.787) 2.400 5.751 ( 0.014 0.000 3.244) 3.244 5.845 ( -0.513 0.000 -2.219) 2.277 5.889 ( -1.696 0.000 -3.186) 3.609 5.904 ( -2.229 0.000 0.781) 2.362 6.089 ( -0.119 0.000 -3.763) 3.764 6.299 ( 3.338 0.000 -0.420) 3.364 6.335 ( 1.642 0.000 2.360) 2.875 6.818 ( -1.871 0.000 3.580) 4.039 6.925 ( 1.018 0.000 1.504) 1.816 6.945 ( 2.074 0.000 0.719) 2.195 7.104 ( -0.326 0.000 0.458) 0.562 7.187 ( -1.209 0.000 1.946) 2.291 7.332 ( 0.154 0.000 1.603) 1.610 7.354 ( -2.049 0.000 -0.046) 2.049 7.610 ( 2.517 0.000 -1.954) 3.187 7.864 ( -1.180 0.000 6.366) 6.474 8.010 ( 0.535 0.000 -6.285) 6.308 8.041 ( 1.089 0.000 -3.606) 3.767 8.194 ( 2.632 0.000 -6.399) 6.919 8.262 ( 2.251 0.000 -10.938) 11.167 8.409 ( -1.099 0.000 -8.324) 8.397 8.495 ( 2.313 0.000 -12.739) 12.948 8.601 ( 2.336 0.000 -13.916) 14.111 8.716 ( -1.532 0.000 -1.169) 1.927 8.790 ( 0.811 0.000 -2.166) 2.313 9.461 ( -0.180 0.000 -5.591) 5.594 9.684 ( -0.300 0.000 -7.826) 7.832 9.707 ( -0.241 0.000 -1.033) 1.061 10.022 ( 2.223 0.000 -5.641) 6.063 10.092 ( -0.331 0.000 3.810) 3.825 10.466 ( 1.170 0.000 -2.252) 2.538 10.701 ( -3.333 0.000 13.943) 14.336 10.977 ( 0.119 0.000 -9.572) 9.573 11.145 ( 1.748 0.000 -7.880) 8.072 11.167 ( 2.900 0.000 -0.105) 2.902 11.376 ( -2.571 0.000 -7.623) 8.044 11.399 ( -7.026 0.000 -1.948) 7.291 11.623 ( 7.706 0.000 -7.119) 10.491 11.749 ( 0.539 0.000 -1.844) 1.921 11.881 ( 3.494 0.000 -6.621) 7.486 11.953 ( 2.135 0.000 4.247) 4.753 12.088 ( 0.939 0.000 4.297) 4.399 12.157 ( -0.704 0.000 -0.961) 1.191 12.326 ( -3.822 0.000 0.930) 3.933 12.424 ( 0.191 0.000 2.392) 2.400 12.719 ( 1.580 0.000 1.097) 1.923 12.800 ( 0.470 0.000 -1.474) 1.547 12.839 ( 5.275 0.000 -0.908) 5.353 12.889 ( 1.670 0.000 -2.942) 3.383 12.992 ( -0.960 0.000 -1.435) 1.726 13.123 ( -7.505 0.000 -1.552) 7.664 13.329 ( -4.793 0.000 -3.173) 5.748 13.456 ( 3.355 0.000 -4.273) 5.433 13.761 ( 3.937 0.000 8.514) 9.381 13.912 ( 0.024 0.000 5.334) 5.334 14.077 ( 3.611 0.000 -4.262) 5.586 14.277 ( 0.690 0.000 -1.428) 1.585 14.535 ( -0.105 0.000 5.169) 5.170 14.549 ( -1.552 0.000 2.840) 3.236 14.590 ( -3.272 0.000 5.122) 6.077 14.773 ( -0.361 0.000 1.646) 1.685 21.421 ( 0.172 0.000 0.336) 0.378 21.521 ( 1.255 0.000 -1.057) 1.641 21.735 ( -3.370 0.000 -2.833) 4.402 21.802 ( -0.461 0.000 -2.079) 2.130 21.911 ( -0.371 0.000 -1.067) 1.130 22.064 ( 2.885 0.000 -5.983) 6.642 22.278 ( 1.463 0.000 -2.574) 2.961 22.435 ( -3.960 0.000 -7.684) 8.644 22.598 ( 0.983 0.000 -2.508) 2.694 22.636 ( 0.257 0.000 -1.728) 1.747 22.741 ( 1.101 0.000 -2.213) 2.472 22.805 ( -0.325 0.000 0.039) 0.328 22.855 ( -4.075 0.000 -7.810) 8.809 22.971 ( 0.136 0.000 -6.747) 6.749 23.022 ( 4.525 0.000 -0.917) 4.617 23.090 ( 2.563 0.000 1.374) 2.908 23.249 ( 3.670 0.000 -1.779) 4.078 23.335 ( -1.019 0.000 -3.958) 4.087 23.512 ( -3.300 0.000 5.841) 6.709 23.642 ( 3.865 0.000 7.429) 8.374 23.764 ( -1.338 0.000 10.205) 10.292 23.964 ( 1.671 0.000 4.081) 4.410 24.112 ( -6.609 0.000 12.770) 14.379 24.137 ( -2.431 0.000 14.484) 14.686 24.215 ( 6.888 0.000 5.576) 8.862 24.383 ( -1.172 0.000 6.609) 6.712 24.443 ( -3.270 0.000 -5.334) 6.257 24.751 ( 0.203 0.000 -6.036) 6.039 24.787 ( -2.139 0.000 1.554) 2.644 24.926 ( 3.107 0.000 -0.897) 3.234 24.965 ( 1.269 0.000 2.030) 2.393 25.155 ( -1.782 0.000 -6.146) 6.399 ======================= Grid point 54 (29/63) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -6.815 0.000 13.251) 14.901 0.834 ( -14.735 0.000 11.363) 18.607 1.130 ( -0.013 0.000 2.428) 2.428 1.347 ( 8.182 0.000 6.165) 10.245 1.526 ( -7.301 0.000 0.159) 7.303 1.560 ( -0.800 0.000 0.598) 0.999 1.575 ( -0.876 0.000 1.078) 1.389 1.593 ( -3.152 0.000 -2.485) 4.014 1.697 ( 1.494 0.000 10.484) 10.590 1.777 ( -3.707 0.000 0.277) 3.718 1.816 ( 2.708 0.000 -2.347) 3.584 1.820 ( -6.719 0.000 9.721) 11.817 1.920 ( -0.717 0.000 5.461) 5.508 1.958 ( 2.339 0.000 -2.569) 3.474 2.001 ( -1.032 0.000 4.923) 5.030 2.088 ( -9.525 0.000 12.263) 15.528 2.144 ( 5.086 0.000 3.587) 6.224 2.178 ( 2.978 0.000 8.978) 9.459 2.292 ( -4.345 0.000 1.834) 4.716 2.354 ( -0.023 0.000 5.646) 5.646 2.379 ( 1.657 0.000 9.018) 9.169 2.404 ( 0.814 0.000 5.705) 5.763 2.413 ( -1.614 0.000 13.681) 13.776 2.563 ( 1.017 0.000 1.580) 1.879 2.644 ( -4.720 0.000 0.920) 4.809 2.713 ( 3.014 0.000 0.971) 3.167 2.775 ( -5.465 0.000 -3.193) 6.329 2.853 ( -2.303 0.000 7.093) 7.458 2.857 ( 0.870 0.000 4.919) 4.996 2.977 ( -1.354 0.000 10.137) 10.227 2.992 ( -5.196 0.000 10.040) 11.305 2.997 ( -3.218 0.000 12.351) 12.764 3.064 ( -7.587 0.000 0.734) 7.622 3.128 ( 2.367 0.000 2.708) 3.597 3.352 ( 2.722 0.000 1.952) 3.349 3.357 ( -2.954 0.000 -2.380) 3.794 3.467 ( 8.827 0.000 0.716) 8.856 3.493 ( 3.212 0.000 -0.223) 3.220 3.549 ( 0.029 0.000 -6.255) 6.255 3.596 ( -1.483 0.000 0.327) 1.519 3.702 ( 1.839 0.000 2.899) 3.433 3.842 ( -1.694 0.000 -2.976) 3.425 3.911 ( 2.790 0.000 11.261) 11.601 3.912 ( 7.707 0.000 2.655) 8.152 4.050 ( 4.782 0.000 -3.383) 5.857 4.063 ( -1.837 0.000 -2.383) 3.009 4.150 ( -8.239 0.000 4.750) 9.510 4.197 ( -9.563 0.000 4.701) 10.656 4.397 ( -2.788 0.000 -5.347) 6.030 4.406 ( 2.335 0.000 1.682) 2.877 4.470 ( 1.267 0.000 4.154) 4.343 4.552 ( -3.550 0.000 -1.248) 3.763 4.609 ( -3.565 0.000 -1.319) 3.801 4.812 ( 11.406 0.000 -3.473) 11.923 4.889 ( -4.414 0.000 3.898) 5.889 4.994 ( -1.033 0.000 -2.610) 2.807 5.138 ( -0.353 0.000 3.065) 3.085 5.170 ( -1.138 0.000 -0.852) 1.421 5.365 ( -0.088 0.000 -3.360) 3.361 5.387 ( -1.464 0.000 2.982) 3.322 5.491 ( 1.644 0.000 2.901) 3.335 5.547 ( 3.047 0.000 -4.302) 5.271 5.581 ( -1.680 0.000 -1.623) 2.336 5.781 ( 2.134 0.000 2.051) 2.959 5.809 ( -3.764 0.000 -2.238) 4.380 5.823 ( -3.316 0.000 4.956) 5.964 5.884 ( 2.431 0.000 -4.282) 4.924 6.030 ( -4.285 0.000 -0.414) 4.305 6.315 ( -4.594 0.000 5.378) 7.073 6.386 ( 4.022 0.000 -0.422) 4.044 6.762 ( -3.016 0.000 3.590) 4.689 6.941 ( -2.783 0.000 -0.379) 2.809 6.993 ( 3.609 0.000 -0.118) 3.611 7.086 ( -1.581 0.000 1.177) 1.971 7.184 ( 0.594 0.000 2.583) 2.650 7.307 ( -1.372 0.000 0.632) 1.510 7.344 ( 0.223 0.000 1.589) 1.605 7.613 ( -1.444 0.000 -2.917) 3.255 7.866 ( -0.457 0.000 6.244) 6.260 7.984 ( -1.026 0.000 -6.208) 6.292 8.057 ( 0.793 0.000 -1.078) 1.338 8.245 ( 2.816 0.000 -6.238) 6.845 8.280 ( 2.467 0.000 -11.362) 11.627 8.375 ( 1.311 0.000 -8.986) 9.081 8.505 ( 2.304 0.000 -14.375) 14.558 8.596 ( 1.243 0.000 -13.569) 13.626 8.698 ( 0.700 0.000 -1.255) 1.436 8.818 ( 1.907 0.000 -1.095) 2.199 9.421 ( -1.803 0.000 -3.207) 3.679 9.661 ( 0.622 0.000 -7.598) 7.623 9.710 ( 0.591 0.000 0.201) 0.624 10.047 ( 1.547 0.000 -5.409) 5.626 10.102 ( 0.078 0.000 3.877) 3.878 10.503 ( 2.658 0.000 -2.191) 3.445 10.688 ( -1.649 0.000 13.083) 13.186 10.951 ( 0.073 0.000 -9.509) 9.509 11.141 ( 0.027 0.000 -7.710) 7.710 11.169 ( -2.840 0.000 -3.182) 4.265 11.304 ( 0.042 0.000 -2.694) 2.694 11.333 ( 1.531 0.000 -9.373) 9.498 11.747 ( -0.270 0.000 -2.166) 2.182 11.753 ( 5.569 0.000 -3.092) 6.370 11.914 ( 1.109 0.000 -1.379) 1.770 12.003 ( 0.008 0.000 1.200) 1.200 12.121 ( -2.227 0.000 1.467) 2.667 12.144 ( 2.644 0.000 4.058) 4.843 12.269 ( -0.198 0.000 -0.250) 0.319 12.470 ( 3.326 0.000 -2.046) 3.905 12.733 ( -1.648 0.000 1.281) 2.087 12.809 ( 0.617 0.000 -1.236) 1.381 12.837 ( -4.627 0.000 -1.193) 4.779 12.910 ( 0.761 0.000 -1.596) 1.768 12.974 ( -3.497 0.000 0.205) 3.503 13.064 ( 6.074 0.000 -4.136) 7.348 13.243 ( -2.031 0.000 -4.155) 4.625 13.510 ( 3.369 0.000 -6.604) 7.414 13.904 ( 4.484 0.000 9.471) 10.479 13.945 ( 3.464 0.000 6.044) 6.966 14.134 ( 1.866 0.000 -0.519) 1.937 14.282 ( -0.478 0.000 -0.178) 0.510 14.521 ( -3.333 0.000 3.488) 4.824 14.522 ( -2.743 0.000 5.005) 5.707 14.528 ( -0.938 0.000 2.736) 2.892 14.683 ( -8.960 0.000 -0.962) 9.011 21.425 ( 0.009 0.000 0.381) 0.381 21.534 ( -0.043 0.000 -1.320) 1.320 21.672 ( -1.218 0.000 0.295) 1.253 21.784 ( -0.070 0.000 -1.409) 1.411 21.908 ( 0.453 0.000 -2.714) 2.752 22.143 ( 4.973 0.000 -2.974) 5.794 22.259 ( -1.480 0.000 -3.366) 3.677 22.327 ( -3.500 0.000 -4.737) 5.890 22.574 ( -1.233 0.000 -4.377) 4.547 22.608 ( -3.366 0.000 -8.824) 9.444 22.699 ( -4.434 0.000 -5.637) 7.172 22.715 ( -1.807 0.000 -2.225) 2.866 22.809 ( -0.310 0.000 -3.388) 3.402 22.922 ( -2.490 0.000 -7.947) 8.328 23.135 ( 5.820 0.000 2.117) 6.193 23.212 ( 4.097 0.000 0.114) 4.099 23.304 ( -0.310 0.000 -1.717) 1.744 23.327 ( 2.585 0.000 -1.657) 3.070 23.521 ( 3.714 0.000 5.612) 6.730 23.716 ( 0.239 0.000 8.003) 8.006 23.788 ( 1.165 0.000 10.365) 10.431 23.977 ( -3.642 0.000 4.862) 6.075 24.031 ( -2.672 0.000 11.534) 11.839 24.076 ( -4.520 0.000 8.406) 9.544 24.344 ( -4.192 0.000 8.612) 9.578 24.352 ( -1.290 0.000 -2.002) 2.382 24.553 ( 16.485 0.000 4.722) 17.148 24.747 ( -1.690 0.000 2.081) 2.681 24.760 ( 3.144 0.000 -4.825) 5.759 24.972 ( 1.021 0.000 -2.348) 2.560 24.988 ( -0.008 0.000 2.541) 2.541 25.076 ( -3.873 0.000 -6.181) 7.295 ======================= Grid point 55 (30/63) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -1.403 7.296 12.617) 14.643 0.928 ( 3.049 8.748 15.673) 18.206 1.235 ( 0.995 1.520 4.284) 4.653 1.271 ( -4.913 -5.516 2.695) 7.863 1.402 ( -4.764 -3.146 8.191) 9.985 1.451 ( 0.183 -0.039 5.244) 5.247 1.493 ( -6.773 -0.662 0.438) 6.820 1.566 ( 1.301 1.402 1.605) 2.497 1.711 ( -3.472 -2.572 1.636) 4.620 1.734 ( -0.757 -4.010 7.421) 8.469 1.781 ( -1.735 1.464 5.963) 6.381 1.843 ( 2.747 0.470 0.575) 2.846 1.874 ( 3.960 -1.358 -1.624) 4.490 1.956 ( 0.487 -1.099 0.813) 1.451 2.008 ( 0.280 -0.366 3.117) 3.151 2.157 ( 0.202 -2.686 1.029) 2.883 2.185 ( 0.673 6.014 7.945) 9.987 2.272 ( -0.937 2.319 1.604) 2.971 2.320 ( 0.613 1.659 11.941) 12.072 2.355 ( -4.139 2.406 7.910) 9.246 2.403 ( -0.849 2.492 6.781) 7.274 2.417 ( 1.471 -2.452 6.627) 7.218 2.461 ( 1.135 0.304 5.046) 5.181 2.528 ( 1.232 -1.729 0.717) 2.241 2.584 ( -1.697 -0.785 12.295) 12.437 2.723 ( -4.757 -3.533 3.210) 6.739 2.741 ( 0.458 -1.739 6.219) 6.474 2.770 ( -4.397 5.447 0.925) 7.061 2.827 ( -1.044 0.116 3.247) 3.413 2.889 ( -1.702 -3.151 3.713) 5.159 2.918 ( -0.689 3.712 3.495) 5.144 3.018 ( -1.604 0.938 6.214) 6.486 3.068 ( 1.443 -0.805 8.122) 8.288 3.137 ( -1.100 0.428 1.787) 2.142 3.311 ( -0.746 -1.126 6.092) 6.240 3.410 ( -1.415 -2.773 -2.059) 3.732 3.457 ( -2.043 -4.188 0.453) 4.682 3.523 ( -0.738 0.167 -2.877) 2.975 3.550 ( 2.361 2.037 -5.103) 5.980 3.623 ( -4.812 3.191 -2.360) 6.238 3.689 ( 2.114 -1.220 3.167) 3.998 3.841 ( -0.291 2.799 2.438) 3.723 3.853 ( -2.079 -5.107 3.893) 6.750 3.946 ( 1.158 -3.849 -0.143) 4.022 4.008 ( -2.228 0.699 3.061) 3.850 4.051 ( 1.941 0.240 1.479) 2.452 4.161 ( 0.958 -0.438 3.146) 3.317 4.262 ( -2.861 -2.039 1.834) 3.963 4.309 ( 6.071 -0.910 1.684) 6.366 4.431 ( 1.858 3.203 0.238) 3.710 4.497 ( 1.572 -3.304 -0.781) 3.742 4.567 ( 2.789 0.305 0.671) 2.884 4.680 ( 3.357 3.342 -2.090) 5.178 4.766 ( -2.174 4.469 2.728) 5.669 4.926 ( 0.660 -5.825 -2.241) 6.276 5.008 ( -3.766 3.489 1.448) 5.334 5.116 ( -1.692 -3.067 -5.637) 6.637 5.181 ( 4.756 -2.532 -2.793) 6.069 5.288 ( -2.396 4.229 -0.568) 4.894 5.335 ( -1.191 1.101 0.344) 1.658 5.514 ( -0.379 -1.719 -0.421) 1.810 5.588 ( 3.353 -0.058 1.717) 3.767 5.628 ( 2.452 -0.307 -0.149) 2.476 5.736 ( -0.771 -2.404 -1.880) 3.148 5.791 ( -0.262 2.151 0.413) 2.206 5.827 ( -3.119 0.061 3.534) 4.714 5.920 ( -1.928 0.732 4.517) 4.965 5.960 ( 2.430 -0.718 -0.203) 2.542 6.276 ( -2.430 4.671 5.111) 7.339 6.437 ( -0.660 -0.960 0.402) 1.232 6.736 ( -0.042 2.728 1.993) 3.378 6.894 ( -0.229 1.130 0.916) 1.472 7.036 ( -1.442 -0.238 1.422) 2.039 7.106 ( -1.610 3.632 1.097) 4.122 7.189 ( 0.857 -0.772 2.757) 2.989 7.242 ( -0.987 -3.422 1.430) 3.838 7.367 ( 0.269 -0.567 0.130) 0.641 7.500 ( -3.095 -4.269 -2.811) 5.976 7.943 ( -0.570 5.725 4.048) 7.035 7.964 ( 1.082 1.811 -4.902) 5.337 8.050 ( -0.050 -1.407 -0.335) 1.447 8.193 ( 0.444 -3.490 -6.188) 7.118 8.327 ( 0.836 1.869 -10.672) 10.867 8.405 ( 3.450 -2.027 -7.270) 8.298 8.502 ( 2.198 0.395 -15.147) 15.311 8.562 ( 1.097 -1.413 -14.216) 14.328 8.758 ( 2.184 1.743 -1.924) 3.393 8.837 ( 0.829 -1.043 -1.237) 1.818 9.434 ( 0.856 3.854 -2.728) 4.799 9.621 ( 2.029 -3.660 -3.485) 5.446 9.792 ( 1.013 4.601 -2.111) 5.162 10.005 ( -0.081 -3.760 -3.053) 4.844 10.165 ( -0.040 4.390 1.344) 4.591 10.438 ( 0.143 -7.470 0.617) 7.497 10.808 ( 0.654 6.463 8.755) 10.902 10.926 ( 0.204 1.005 -7.908) 7.974 11.074 ( -0.038 -0.565 -7.051) 7.074 11.170 ( -1.792 1.707 -5.577) 6.102 11.260 ( 5.096 -4.406 -4.214) 7.946 11.348 ( 3.620 -2.963 -8.191) 9.432 11.716 ( -1.641 -0.543 -1.203) 2.106 11.796 ( -2.828 -4.554 3.244) 6.266 11.868 ( 1.397 1.330 -3.738) 4.207 11.969 ( -1.057 -2.383 -2.402) 3.544 12.153 ( -2.868 5.460 -0.995) 6.247 12.215 ( -4.151 2.075 1.632) 4.919 12.323 ( 4.485 0.989 -0.184) 4.597 12.498 ( 2.421 -2.865 -7.412) 8.307 12.683 ( -2.827 4.159 0.251) 5.035 12.760 ( -1.746 1.212 1.418) 2.555 12.820 ( 1.396 0.507 -0.544) 1.582 12.887 ( -0.657 -1.827 -0.559) 2.021 12.956 ( 0.816 0.186 0.485) 0.968 13.076 ( 3.424 -5.135 -0.266) 6.178 13.330 ( 2.308 5.346 -5.607) 8.084 13.514 ( 3.063 -3.807 -8.789) 10.056 13.962 ( -2.117 3.501 6.679) 7.833 14.108 ( 0.831 -2.358 4.342) 5.010 14.136 ( -2.025 0.543 4.631) 5.084 14.210 ( -3.831 -2.794 3.012) 5.617 14.383 ( -5.945 2.711 5.987) 8.862 14.497 ( -0.614 -2.209 4.817) 5.335 14.520 ( 0.686 0.420 2.781) 2.895 14.533 ( 0.568 0.012 2.537) 2.600 21.436 ( -0.187 1.678 0.130) 1.694 21.523 ( -0.333 -0.727 -0.963) 1.252 21.737 ( -1.409 3.205 -2.389) 4.238 21.854 ( 0.100 -0.474 -1.234) 1.326 21.907 ( 2.760 5.011 -5.157) 7.703 22.162 ( -2.529 -2.770 -5.680) 6.807 22.245 ( 1.981 2.451 -2.443) 3.988 22.307 ( 4.461 -0.215 -2.810) 5.277 22.520 ( 3.251 -0.078 -8.307) 8.921 22.551 ( 1.575 -0.419 -6.831) 7.022 22.672 ( -2.121 0.909 -4.871) 5.390 22.695 ( 0.825 1.763 -0.337) 1.975 22.756 ( -2.140 -1.256 -6.861) 7.296 22.831 ( -1.317 -1.221 -5.572) 5.854 23.207 ( -0.950 1.115 1.021) 1.785 23.256 ( 2.277 -0.846 1.440) 2.823 23.316 ( -1.705 2.410 -1.036) 3.128 23.372 ( 1.400 0.127 -1.320) 1.928 23.581 ( -1.099 -2.239 7.432) 7.839 23.648 ( -0.420 -3.908 6.654) 7.728 23.894 ( -5.450 0.589 9.135) 10.653 23.920 ( 0.323 -0.337 9.563) 9.574 23.951 ( -2.128 0.611 4.981) 5.450 24.082 ( 0.252 -0.268 7.132) 7.141 24.340 ( -1.265 5.545 9.779) 11.313 24.407 ( 1.182 4.146 2.063) 4.779 24.628 ( 1.731 -5.381 -3.338) 6.564 24.738 ( -1.530 -9.596 5.885) 11.360 24.816 ( 0.225 3.419 -2.173) 4.058 24.939 ( -0.376 -2.226 -1.610) 2.773 24.998 ( -1.261 1.097 -1.940) 2.561 25.034 ( 3.760 0.298 -1.769) 4.166 ======================= Grid point 56 (31/63) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 5.286 1.847 10.480) 11.882 1.068 ( 4.988 3.069 13.055) 14.308 1.176 ( -3.435 -0.451 6.978) 7.791 1.289 ( -0.335 4.519 5.018) 6.761 1.358 ( -0.692 -7.791 4.164) 8.861 1.396 ( -2.600 -1.584 -0.058) 3.046 1.536 ( 8.377 0.472 5.162) 9.851 1.601 ( -0.027 4.884 -0.446) 4.905 1.685 ( -1.439 -0.850 10.506) 10.638 1.746 ( 1.395 -2.631 0.139) 2.981 1.798 ( 0.064 -3.336 6.975) 7.732 1.929 ( 1.178 2.440 2.072) 3.411 1.942 ( 0.663 -1.168 1.025) 1.689 1.966 ( 3.037 -0.401 0.387) 3.088 2.046 ( -0.516 2.093 5.769) 6.159 2.151 ( -0.328 1.675 7.633) 7.821 2.192 ( -1.513 2.172 1.745) 3.170 2.238 ( -1.258 0.073 5.105) 5.258 2.295 ( -0.502 -2.215 8.427) 8.728 2.317 ( -3.180 1.682 -1.262) 3.812 2.365 ( -3.592 -2.520 3.396) 5.549 2.438 ( 3.401 1.096 9.028) 9.709 2.486 ( -0.990 0.502 4.161) 4.307 2.578 ( -0.122 2.980 4.341) 5.267 2.625 ( -2.205 0.069 6.736) 7.088 2.675 ( 3.617 -3.764 6.101) 8.029 2.717 ( 0.748 3.651 2.761) 4.638 2.780 ( -1.371 -2.221 2.418) 3.558 2.819 ( -2.674 -2.309 2.611) 4.393 2.853 ( 2.843 1.021 1.195) 3.248 2.969 ( -3.261 -1.419 4.405) 5.661 3.017 ( 4.584 2.431 4.278) 6.725 3.066 ( -3.532 0.925 3.963) 5.389 3.177 ( 0.931 -1.027 6.856) 6.994 3.287 ( -2.679 -2.408 5.089) 6.235 3.353 ( -5.806 -2.846 0.446) 6.481 3.391 ( -0.839 3.427 -2.125) 4.119 3.462 ( -2.590 2.664 3.156) 4.876 3.487 ( -1.594 2.207 -0.510) 2.769 3.649 ( 5.377 -2.814 -3.924) 7.227 3.715 ( -0.781 -1.200 1.761) 2.269 3.788 ( 0.205 2.987 3.716) 4.772 3.875 ( -4.979 -8.612 2.749) 10.321 3.907 ( -0.280 -2.572 1.604) 3.044 4.044 ( 3.812 2.232 -2.147) 4.912 4.098 ( -0.560 4.961 1.742) 5.287 4.177 ( -1.217 -1.296 3.951) 4.333 4.300 ( 2.115 1.239 1.197) 2.728 4.412 ( 2.521 2.391 2.154) 4.088 4.435 ( -0.268 1.118 4.128) 4.285 4.527 ( 1.755 3.116 3.254) 4.835 4.639 ( -2.213 0.265 2.113) 3.071 4.754 ( 7.011 -3.865 -3.507) 8.740 4.793 ( 4.056 -0.187 -0.230) 4.067 4.911 ( -1.569 -6.219 -1.066) 6.502 4.919 ( -4.489 -3.767 0.509) 5.882 5.087 ( 2.309 0.239 -7.317) 7.676 5.129 ( -2.056 -1.227 -5.516) 6.013 5.236 ( -6.079 4.803 -0.491) 7.763 5.399 ( 2.755 4.582 1.051) 5.449 5.464 ( -3.953 -5.422 -0.321) 6.718 5.622 ( -0.531 -2.474 4.735) 5.368 5.735 ( 4.469 -0.049 -2.925) 5.341 5.762 ( 2.857 -1.402 -3.147) 4.476 5.801 ( 3.530 -2.152 2.933) 5.069 5.812 ( 2.275 2.744 4.779) 5.962 5.906 ( -0.522 2.274 2.154) 3.176 5.996 ( -0.090 -1.508 1.303) 1.995 6.258 ( -0.891 3.233 1.987) 3.898 6.371 ( -4.479 -0.754 0.535) 4.573 6.785 ( 3.235 4.678 1.646) 5.921 6.904 ( 0.621 4.559 1.586) 4.867 7.024 ( -0.122 -1.847 1.232) 2.224 7.052 ( -2.726 2.759 1.516) 4.164 7.210 ( 0.464 -1.713 2.002) 2.675 7.246 ( 0.470 -4.411 1.434) 4.662 7.359 ( -0.667 -1.301 -0.617) 1.587 7.456 ( 0.435 -3.136 -2.669) 4.141 7.928 ( -1.170 3.601 2.730) 4.668 8.000 ( 2.441 3.438 -3.627) 5.562 8.044 ( -0.266 -1.083 -1.081) 1.553 8.178 ( 0.126 -2.305 -5.848) 6.287 8.303 ( 0.279 1.738 -11.154) 11.292 8.444 ( 1.237 -3.768 -4.615) 6.085 8.510 ( 2.441 0.922 -13.196) 13.451 8.545 ( 2.523 -0.435 -16.956) 17.148 8.778 ( 0.040 0.592 -2.036) 2.121 8.829 ( -0.890 -0.805 -2.271) 2.569 9.464 ( 2.590 4.333 -5.007) 7.110 9.658 ( 2.008 -3.340 -3.768) 5.421 9.800 ( 0.158 3.870 -2.601) 4.666 9.984 ( -0.740 -3.297 -3.586) 4.927 10.157 ( -1.070 4.210 1.890) 4.737 10.426 ( -1.126 -7.123 0.127) 7.213 10.805 ( -2.851 4.436 7.780) 9.399 10.939 ( 2.670 0.146 -5.787) 6.375 11.089 ( 2.224 0.321 -8.145) 8.450 11.122 ( -0.291 1.287 -2.886) 3.173 11.369 ( 5.132 -1.486 -6.249) 8.222 11.414 ( 4.400 -3.364 -3.065) 6.330 11.689 ( 0.077 -1.662 -5.900) 6.130 11.703 ( -5.931 -3.110 0.218) 6.701 11.887 ( 0.089 0.346 0.170) 0.395 11.911 ( -2.134 -0.429 -3.335) 3.982 12.080 ( -3.849 1.830 2.918) 5.165 12.139 ( -0.090 0.466 -1.276) 1.361 12.376 ( 0.328 0.501 -0.069) 0.603 12.522 ( 0.811 -3.166 -5.725) 6.592 12.661 ( 0.044 7.368 0.318) 7.375 12.751 ( 0.149 2.592 2.016) 3.287 12.848 ( 1.441 2.735 -1.480) 3.428 12.862 ( -0.875 -1.466 -1.154) 2.061 12.982 ( 1.227 -0.963 -1.148) 1.937 13.151 ( 2.667 -6.620 1.684) 7.333 13.371 ( 2.742 4.186 -3.906) 6.348 13.530 ( 0.185 -3.052 -8.264) 8.812 13.841 ( -9.307 1.173 7.541) 12.036 13.919 ( -8.397 -2.562 6.225) 10.762 14.104 ( -1.564 4.218 1.810) 4.849 14.238 ( 0.243 -1.637 0.818) 1.846 14.446 ( 4.562 2.157 5.036) 7.129 14.542 ( 2.301 -1.216 2.785) 3.812 14.579 ( 3.489 0.276 4.273) 5.523 14.581 ( 3.206 0.113 4.531) 5.551 21.434 ( 0.018 1.922 0.085) 1.924 21.504 ( -0.609 0.200 -1.589) 1.713 21.734 ( 0.785 -0.698 -0.854) 1.353 21.844 ( 0.453 -4.084 -0.734) 4.174 21.933 ( 1.138 6.125 -3.733) 7.262 22.106 ( -0.456 -1.011 -5.469) 5.580 22.228 ( -1.469 4.308 -4.054) 6.096 22.424 ( 5.013 -2.847 -6.690) 8.831 22.570 ( 2.275 1.030 -6.259) 6.739 22.618 ( 0.218 -1.229 -4.759) 4.919 22.675 ( 4.801 0.249 -3.898) 6.190 22.718 ( 4.150 -0.384 -6.105) 7.392 22.731 ( 2.602 1.395 -2.943) 4.169 22.825 ( 3.187 -0.525 -4.744) 5.739 23.156 ( -3.476 0.935 1.364) 3.849 23.225 ( -5.848 -1.507 0.954) 6.114 23.278 ( -1.108 2.243 -0.345) 2.525 23.377 ( -0.081 -1.439 -1.642) 2.185 23.557 ( -2.715 -0.819 6.719) 7.293 23.619 ( -3.592 -0.755 7.571) 8.414 23.823 ( -3.643 0.909 9.556) 10.268 23.877 ( -2.828 -2.865 7.710) 8.698 24.006 ( 2.062 1.875 5.394) 6.072 24.143 ( 2.719 -2.539 6.122) 7.164 24.342 ( -2.656 4.712 13.542) 14.582 24.431 ( -1.096 2.493 1.167) 2.963 24.595 ( -7.556 -2.226 4.525) 9.085 24.664 ( 2.360 -4.591 -3.659) 6.327 24.823 ( 0.806 2.679 -1.537) 3.192 24.909 ( -1.639 -1.427 -1.283) 2.524 24.981 ( -0.337 2.369 -0.357) 2.419 25.131 ( 3.681 -3.466 -3.793) 6.321 ======================= Grid point 57 (32/63) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 6.097 0.450 6.951) 9.257 1.152 ( -1.510 5.521 9.650) 11.220 1.197 ( -2.175 6.236 3.457) 7.454 1.294 ( 4.526 8.844 7.224) 12.284 1.351 ( -1.621 -7.988 1.643) 8.315 1.373 ( 0.853 -3.021 0.699) 3.216 1.574 ( -0.998 1.764 3.145) 3.741 1.650 ( 2.583 -2.882 6.619) 7.667 1.745 ( -2.404 -1.319 4.300) 5.100 1.780 ( -2.163 1.890 3.978) 4.906 1.834 ( 4.020 -4.150 6.460) 8.666 1.865 ( -5.710 -1.693 6.564) 8.863 1.907 ( -1.247 -0.735 1.312) 1.954 1.995 ( -2.224 0.587 1.663) 2.839 2.083 ( 0.363 4.680 4.834) 6.738 2.131 ( -1.458 6.149 3.145) 7.058 2.165 ( 2.009 6.240 2.698) 7.089 2.256 ( -1.026 -3.476 4.867) 6.068 2.273 ( -3.181 -1.706 3.521) 5.042 2.348 ( 5.516 -2.989 -0.855) 6.332 2.441 ( -1.928 0.194 3.292) 3.820 2.457 ( 4.687 -1.277 -0.320) 4.868 2.539 ( 1.670 -0.698 5.900) 6.172 2.606 ( 2.520 -5.649 4.194) 7.473 2.651 ( -1.569 1.563 1.429) 2.635 2.667 ( -1.443 -0.370 6.919) 7.078 2.729 ( -2.242 -0.332 2.698) 3.524 2.739 ( -0.162 0.925 7.299) 7.360 2.792 ( -1.021 -0.872 3.226) 3.494 2.904 ( -1.673 -3.886 4.370) 6.082 2.972 ( -0.364 -5.062 2.963) 5.877 2.989 ( 1.368 -0.034 4.396) 4.604 3.123 ( 4.381 1.155 0.091) 4.532 3.166 ( -3.089 -4.505 6.569) 8.544 3.194 ( -5.734 3.041 5.477) 8.493 3.294 ( -0.057 0.666 1.492) 1.635 3.395 ( 0.624 2.817 0.690) 2.967 3.474 ( 1.214 2.013 4.563) 5.133 3.527 ( 3.895 3.103 5.037) 7.084 3.637 ( -5.529 -3.390 -1.230) 6.601 3.745 ( 3.261 -3.595 -0.170) 4.857 3.801 ( -0.585 2.060 -0.885) 2.317 3.856 ( -1.640 -2.476 1.327) 3.253 3.905 ( 3.164 1.728 2.228) 4.238 3.963 ( -7.518 9.501 2.421) 12.355 4.090 ( -1.378 4.886 0.033) 5.077 4.195 ( 2.927 -2.345 2.788) 4.673 4.319 ( -0.010 2.942 7.665) 8.211 4.473 ( -0.125 0.580 5.718) 5.748 4.492 ( 1.963 1.762 3.805) 4.630 4.520 ( -3.039 0.900 4.622) 5.604 4.592 ( 0.092 0.099 -6.112) 6.114 4.753 ( -3.628 -1.745 -0.419) 4.048 4.775 ( -1.601 -4.086 -1.265) 4.567 4.907 ( -4.001 -5.703 1.354) 7.097 5.007 ( 4.107 -9.671 -0.811) 10.538 5.062 ( -0.351 0.692 0.134) 0.787 5.118 ( 5.689 1.945 -8.953) 10.784 5.187 ( 2.983 2.303 -4.470) 5.846 5.361 ( -3.314 -2.892 -0.776) 4.466 5.420 ( -1.164 3.527 5.967) 7.028 5.616 ( -2.554 0.347 5.247) 5.846 5.717 ( -1.839 -1.279 3.167) 3.880 5.799 ( -0.387 1.703 0.767) 1.907 5.876 ( 1.316 1.927 -1.607) 2.833 5.899 ( 1.154 -0.236 -1.385) 1.818 5.944 ( -3.696 -2.077 0.101) 4.240 5.987 ( 6.251 -3.065 -3.075) 7.611 6.254 ( 1.016 0.103 1.004) 1.432 6.304 ( -0.978 0.261 0.643) 1.199 6.846 ( 1.222 4.689 2.443) 5.427 6.924 ( 0.364 3.282 1.957) 3.839 6.984 ( -1.579 1.885 2.112) 3.241 7.065 ( 0.951 -2.214 1.320) 2.747 7.217 ( -0.609 0.304 1.587) 1.726 7.257 ( 0.337 -4.462 1.469) 4.709 7.371 ( 1.961 -0.049 -1.198) 2.299 7.497 ( 3.739 -3.598 -2.903) 5.946 7.910 ( -1.161 3.123 2.516) 4.175 8.026 ( 0.172 -0.692 -2.419) 2.522 8.035 ( 0.927 2.198 -5.640) 6.123 8.165 ( 0.201 -1.890 -4.504) 4.888 8.285 ( 1.509 2.514 -10.179) 10.593 8.432 ( -0.271 -2.614 -6.130) 6.670 8.512 ( 1.720 1.472 -12.914) 13.111 8.565 ( 3.322 -1.242 -15.724) 16.119 8.757 ( -1.142 0.462 -1.359) 1.834 8.796 ( -1.142 -0.600 -2.622) 2.922 9.497 ( 1.688 3.733 -5.705) 7.024 9.668 ( -0.210 -2.972 -3.394) 4.516 9.784 ( -0.401 3.959 -4.024) 5.660 9.967 ( 0.663 -3.116 -4.016) 5.126 10.140 ( -0.857 4.158 1.785) 4.605 10.405 ( -0.574 -5.970 -0.355) 6.008 10.765 ( -2.852 3.067 7.725) 8.788 10.981 ( 2.432 -4.924 -4.416) 7.047 11.048 ( -1.719 2.514 -5.924) 6.661 11.185 ( 4.587 2.338 -5.002) 7.178 11.392 ( -1.693 -3.272 -1.227) 3.883 11.493 ( -1.090 -3.490 2.706) 4.549 11.585 ( 0.804 3.361 -10.511) 11.065 11.707 ( 3.268 -2.050 -7.799) 8.701 11.849 ( 0.507 1.552 -4.485) 4.773 11.930 ( 0.938 0.485 2.639) 2.843 12.055 ( -0.297 -0.138 3.887) 3.901 12.153 ( 1.222 -1.272 -0.943) 2.000 12.360 ( -1.212 0.350 0.650) 1.419 12.505 ( -1.197 -0.378 -2.132) 2.474 12.664 ( 0.640 4.268 -0.339) 4.329 12.765 ( 0.377 2.429 2.276) 3.350 12.848 ( 0.191 -0.494 -1.906) 1.978 12.878 ( 1.845 3.135 -2.580) 4.460 12.996 ( 0.591 -1.261 -2.913) 3.229 13.161 ( -3.153 -7.747 2.705) 8.790 13.415 ( 2.121 1.909 -3.017) 4.153 13.462 ( -3.689 -0.554 -5.928) 7.004 13.720 ( -2.761 1.497 8.082) 8.671 13.844 ( -1.473 -4.155 5.104) 6.744 14.092 ( 0.930 4.405 -2.836) 5.321 14.238 ( 0.142 -2.453 -0.761) 2.572 14.531 ( 2.085 2.243 4.754) 5.655 14.570 ( -0.249 0.289 3.352) 3.374 14.625 ( 0.288 1.429 4.497) 4.728 14.705 ( 4.068 -1.197 3.666) 5.606 21.437 ( 0.137 1.822 0.083) 1.829 21.498 ( 0.441 -0.321 -1.338) 1.445 21.742 ( 0.343 -0.776 -1.681) 1.883 21.863 ( 0.726 -4.951 0.252) 5.010 21.942 ( 0.589 7.546 -3.948) 8.537 22.092 ( -0.474 1.614 -6.467) 6.682 22.211 ( 2.390 1.245 -2.508) 3.682 22.447 ( -0.798 -5.959 -7.151) 9.343 22.581 ( 1.415 0.585 -5.538) 5.746 22.620 ( 1.570 -1.057 -2.731) 3.323 22.714 ( 1.258 0.855 -1.331) 2.021 22.744 ( 1.185 -1.136 -2.818) 3.261 22.873 ( 6.654 1.713 -4.192) 8.049 22.934 ( 5.762 -0.783 -6.119) 8.441 23.071 ( -6.508 0.477 0.888) 6.585 23.091 ( -2.744 -0.629 0.531) 2.865 23.250 ( -1.223 1.999 -2.314) 3.294 23.351 ( -1.892 -2.290 -2.936) 4.177 23.541 ( 0.199 0.331 6.973) 6.984 23.579 ( -1.852 -0.037 6.525) 6.782 23.794 ( -1.886 1.597 9.760) 10.068 23.875 ( 0.438 -2.713 7.339) 7.836 24.073 ( 2.796 2.460 6.052) 7.106 24.178 ( -2.517 -2.244 8.888) 9.506 24.279 ( -7.659 1.024 11.034) 13.471 24.364 ( -1.922 0.272 9.109) 9.313 24.538 ( -0.449 2.423 -4.143) 4.821 24.698 ( 1.236 -4.212 -3.823) 5.820 24.841 ( 0.705 1.780 -0.842) 2.091 24.880 ( -0.102 -0.421 -0.061) 0.438 24.977 ( 0.253 3.362 -0.326) 3.387 25.156 ( 0.303 -3.340 -4.714) 5.785 ======================= Grid point 58 (33/63) ======================= q-point: (-0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -8.262 8.480 6.839) 13.673 1.127 ( -2.190 1.710 0.775) 2.885 1.246 ( -4.368 7.175 5.139) 9.847 1.259 ( 2.264 2.012 8.682) 9.195 1.383 ( 1.297 -4.084 3.020) 5.242 1.469 ( 4.675 2.551 4.722) 7.117 1.579 ( -1.083 0.277 3.476) 3.651 1.689 ( -1.894 -0.821 4.426) 4.884 1.713 ( -5.305 -3.764 1.733) 6.732 1.768 ( 1.206 -1.015 3.389) 3.738 1.773 ( 2.741 0.108 0.791) 2.855 1.837 ( 2.448 -2.890 6.221) 7.283 1.964 ( 0.111 3.586 5.114) 6.247 1.987 ( -2.065 0.976 3.306) 4.019 2.032 ( -3.100 1.992 1.186) 3.871 2.101 ( -3.682 0.509 -1.174) 3.898 2.202 ( 0.768 7.135 7.186) 10.156 2.263 ( 0.033 -5.539 2.980) 6.290 2.280 ( -0.533 -1.209 4.079) 4.288 2.339 ( -5.279 2.770 4.087) 7.228 2.364 ( -2.003 1.167 1.910) 3.004 2.484 ( -7.361 3.553 11.956) 14.483 2.540 ( 1.440 -1.540 -1.396) 2.528 2.568 ( -5.785 2.465 9.612) 11.487 2.628 ( -4.494 -6.553 0.672) 7.974 2.633 ( -1.172 -1.565 1.517) 2.474 2.747 ( 5.280 -1.838 4.681) 7.292 2.816 ( 2.509 -2.229 7.917) 8.599 2.863 ( -0.872 -7.825 3.019) 8.432 2.891 ( -0.077 0.080 4.990) 4.991 2.914 ( 0.601 -0.053 5.107) 5.143 3.049 ( 0.768 -3.710 4.891) 6.187 3.095 ( -2.603 -2.094 8.967) 9.569 3.217 ( 2.994 0.667 3.151) 4.397 3.229 ( 3.504 -4.400 0.046) 5.625 3.313 ( -0.660 1.859 1.488) 2.471 3.385 ( 0.598 0.381 -1.421) 1.588 3.491 ( -3.167 0.269 1.591) 3.554 3.543 ( 1.914 -1.764 0.788) 2.719 3.617 ( 0.989 1.971 5.338) 5.775 3.701 ( -6.623 6.103 0.135) 9.007 3.807 ( 1.548 1.863 4.496) 5.107 3.817 ( 2.710 0.438 -4.194) 5.012 3.922 ( -1.111 2.725 6.853) 7.458 4.019 ( 3.429 2.979 0.621) 4.584 4.064 ( 1.731 2.928 0.471) 3.434 4.267 ( 0.017 -3.154 2.167) 3.827 4.322 ( -2.423 4.011 2.094) 5.133 4.409 ( -2.469 -1.028 5.303) 5.939 4.454 ( -3.701 1.480 1.161) 4.152 4.522 ( -1.049 0.157 3.696) 3.845 4.621 ( -3.704 -4.852 -0.660) 6.140 4.671 ( 3.914 4.945 -2.042) 6.629 4.718 ( -7.162 -1.272 -2.515) 7.697 4.806 ( 0.336 -5.078 1.030) 5.192 5.004 ( -0.138 -8.166 0.337) 8.174 5.120 ( 2.299 -0.010 -0.810) 2.437 5.225 ( 1.742 4.165 -5.083) 6.799 5.298 ( 7.342 1.044 -4.251) 8.548 5.334 ( 0.520 -8.875 1.415) 9.002 5.419 ( 0.246 8.390 5.312) 9.933 5.559 ( -3.010 1.734 2.937) 4.548 5.685 ( -2.200 -0.555 0.226) 2.280 5.749 ( -3.738 -0.436 2.041) 4.281 5.831 ( -0.954 -1.168 -0.177) 1.518 5.870 ( -2.730 -3.122 -0.964) 4.258 5.937 ( 0.725 2.934 -1.455) 3.354 6.045 ( 0.211 -3.011 -4.171) 5.148 6.310 ( 3.490 0.285 0.563) 3.546 6.330 ( 1.573 -0.454 1.889) 2.499 6.844 ( -2.481 2.640 3.168) 4.813 6.909 ( -1.282 1.183 2.498) 3.047 7.010 ( 2.152 1.711 2.110) 3.466 7.083 ( 0.767 -1.320 1.592) 2.205 7.195 ( -1.707 0.943 1.762) 2.629 7.268 ( 0.193 -3.665 0.999) 3.804 7.394 ( -0.201 2.387 -0.843) 2.539 7.567 ( 2.534 -3.963 -2.524) 5.339 7.901 ( -0.146 3.187 2.146) 3.845 8.022 ( 0.814 -1.574 -3.890) 4.275 8.032 ( 0.216 1.954 -5.076) 5.443 8.162 ( 1.092 -2.459 -4.909) 5.598 8.304 ( 2.731 3.111 -9.225) 10.111 8.402 ( -0.506 -0.808 -7.517) 7.577 8.510 ( 1.991 1.096 -13.947) 14.131 8.577 ( 2.171 -2.039 -14.608) 14.908 8.730 ( -0.932 1.174 -0.903) 1.750 8.781 ( 0.593 -0.853 -1.776) 2.058 9.491 ( -0.710 2.709 -4.595) 5.382 9.638 ( -1.210 -3.076 -3.335) 4.695 9.772 ( 0.691 4.782 -4.572) 6.652 9.985 ( 1.727 -3.450 -3.800) 5.415 10.137 ( 0.204 4.263 1.149) 4.420 10.404 ( 0.526 -5.713 -0.193) 5.740 10.740 ( -1.368 3.718 7.341) 8.342 10.976 ( -1.392 -3.406 -2.964) 4.724 11.046 ( 3.426 -0.453 -7.814) 8.544 11.249 ( 2.436 1.593 -4.969) 5.759 11.317 ( -3.968 -3.594 -2.828) 6.055 11.381 ( -5.549 -1.361 -2.429) 6.208 11.682 ( 7.342 3.914 -8.949) 12.219 11.756 ( 2.200 0.330 -2.985) 3.722 11.864 ( 0.969 -0.244 -4.283) 4.398 11.953 ( 0.466 -1.000 3.433) 3.606 12.082 ( 2.005 0.278 3.868) 4.366 12.174 ( 0.991 -1.102 -0.497) 1.563 12.340 ( -1.109 3.502 -0.838) 3.767 12.463 ( -1.407 2.176 0.042) 2.591 12.712 ( 3.588 -0.459 -0.641) 3.674 12.778 ( -0.037 1.130 2.701) 2.929 12.855 ( 0.933 -0.895 -1.769) 2.192 12.907 ( 1.067 0.645 -3.244) 3.476 12.988 ( -0.316 -0.863 -3.351) 3.475 13.050 ( -6.314 -4.740 2.096) 8.169 13.364 ( -3.090 2.549 -4.525) 6.043 13.449 ( 1.939 -0.908 -4.394) 4.888 13.761 ( 3.492 0.318 7.997) 8.732 13.857 ( 1.038 -3.848 5.404) 6.715 14.125 ( 2.649 3.395 -2.867) 5.174 14.249 ( 1.192 -2.323 -1.179) 2.865 14.557 ( -1.618 0.665 3.170) 3.621 14.563 ( -0.751 1.415 4.766) 5.028 14.607 ( -3.342 2.199 4.438) 5.975 14.746 ( -1.577 -2.530 2.306) 3.769 21.440 ( 0.087 1.641 0.190) 1.655 21.509 ( 0.797 -1.078 -0.861) 1.593 21.746 ( 0.781 1.775 -0.933) 2.152 21.868 ( -0.675 -0.798 -0.049) 1.046 21.916 ( -1.335 6.012 -5.440) 8.217 22.077 ( 2.271 0.839 -6.141) 6.600 22.262 ( 1.215 -1.141 -3.559) 3.930 22.376 ( -2.772 -5.236 -6.955) 9.137 22.607 ( 0.901 0.723 -2.933) 3.152 22.637 ( 0.267 -0.081 -2.204) 2.222 22.723 ( -0.407 -1.364 -2.316) 2.719 22.747 ( -0.308 -2.597 -0.893) 2.763 22.922 ( -2.872 3.546 -5.876) 7.440 22.975 ( 0.562 0.322 -6.535) 6.567 23.020 ( 3.747 -0.056 -0.519) 3.783 23.069 ( 1.529 -1.739 0.629) 2.399 23.261 ( 3.219 0.895 -2.067) 3.929 23.309 ( -0.345 -1.826 -2.922) 3.463 23.537 ( -1.925 1.927 5.355) 6.008 23.619 ( 1.730 -1.709 6.821) 7.241 23.805 ( 0.107 3.207 10.020) 10.522 23.932 ( 2.238 -2.461 7.041) 7.787 24.089 ( -5.479 -0.952 9.481) 10.992 24.144 ( -3.915 -2.878 6.828) 8.380 24.227 ( 4.594 4.136 12.936) 14.337 24.380 ( -0.217 -1.022 8.527) 8.591 24.487 ( -2.815 3.758 -4.723) 6.660 24.683 ( -1.066 -4.460 -3.586) 5.821 24.834 ( -0.656 2.487 -0.959) 2.745 24.913 ( 2.310 -1.193 -0.849) 2.735 24.994 ( 1.030 2.629 0.334) 2.843 25.128 ( -1.332 -2.450 -5.123) 5.833 ======================= Grid point 59 (34/63) ======================= q-point: (-0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -7.662 11.513 9.284) 16.657 0.959 ( -10.935 10.550 10.579) 18.514 1.189 ( 1.110 2.310 1.700) 3.075 1.371 ( 1.825 3.652 5.837) 7.123 1.406 ( -1.622 -7.848 3.823) 8.879 1.446 ( -4.284 -3.463 3.818) 6.703 1.588 ( -2.688 -1.583 1.083) 3.302 1.636 ( 1.052 -0.595 1.552) 1.967 1.714 ( -0.307 0.920 3.005) 3.157 1.791 ( -0.910 -1.082 -0.341) 1.454 1.814 ( -3.816 -1.190 5.159) 6.527 1.834 ( -2.005 2.951 -0.949) 3.692 1.897 ( -6.463 0.945 3.727) 7.520 1.959 ( 0.189 -2.007 0.962) 2.234 1.999 ( -0.459 -0.567 4.256) 4.318 2.107 ( -1.198 0.905 6.860) 7.022 2.171 ( 4.156 -2.104 6.832) 8.269 2.237 ( -3.553 1.863 7.343) 8.368 2.273 ( -0.577 2.709 3.696) 4.619 2.292 ( 1.245 -3.355 7.617) 8.416 2.376 ( 0.154 6.920 6.311) 9.367 2.437 ( -1.089 1.340 7.436) 7.634 2.477 ( -3.312 4.287 9.844) 11.236 2.512 ( -1.042 -5.514 0.025) 5.612 2.616 ( -0.471 1.206 4.749) 4.922 2.676 ( 1.978 -2.607 2.069) 3.872 2.789 ( -2.346 -5.759 6.106) 8.715 2.829 ( -1.477 -0.900 4.623) 4.936 2.861 ( 0.922 -1.653 6.267) 6.547 2.887 ( -4.813 1.435 7.215) 8.791 2.949 ( 1.562 -3.563 7.049) 8.052 3.047 ( -2.690 -0.360 0.875) 2.852 3.079 ( -4.553 -0.774 10.203) 11.199 3.171 ( -3.228 1.727 -1.343) 3.899 3.270 ( 2.596 -1.111 2.688) 3.899 3.399 ( 7.315 -6.342 -2.811) 10.081 3.457 ( 4.025 0.222 0.137) 4.033 3.481 ( -0.032 2.083 -0.949) 2.289 3.533 ( -2.205 -0.435 -1.172) 2.535 3.647 ( 2.074 3.366 -1.539) 4.243 3.652 ( -0.115 -2.401 4.344) 4.965 3.800 ( -1.017 -2.110 3.277) 4.028 3.908 ( 2.837 3.238 0.507) 4.335 3.920 ( 0.381 1.359 4.743) 4.949 4.046 ( -1.944 2.673 -0.775) 3.395 4.084 ( -3.173 -1.544 4.385) 5.629 4.211 ( -5.882 -1.235 0.986) 6.090 4.213 ( -0.352 2.432 2.402) 3.436 4.385 ( -4.690 -0.529 1.415) 4.927 4.417 ( -1.135 2.007 0.225) 2.317 4.474 ( -1.957 -0.710 2.322) 3.118 4.558 ( -0.509 -1.124 -0.831) 1.488 4.616 ( 1.484 1.395 -2.117) 2.938 4.788 ( -0.154 -2.433 1.286) 2.756 4.858 ( 7.457 0.128 -3.048) 8.057 5.035 ( 2.684 -3.049 0.942) 4.169 5.114 ( -2.656 4.078 -2.881) 5.656 5.175 ( -3.474 -1.717 -0.021) 3.876 5.330 ( -0.282 -3.716 2.071) 4.263 5.388 ( -0.021 1.222 -4.085) 4.264 5.473 ( 2.255 2.016 3.600) 4.702 5.556 ( 2.899 1.339 -1.553) 3.551 5.613 ( -3.385 0.178 -2.746) 4.363 5.722 ( 0.719 -2.784 1.928) 3.462 5.805 ( -1.069 -1.175 0.575) 1.689 5.865 ( 0.482 2.080 1.753) 2.762 5.927 ( -0.039 1.731 -2.147) 2.758 5.987 ( -4.206 -2.461 -0.487) 4.898 6.327 ( -2.703 1.422 4.831) 5.715 6.396 ( 3.645 0.150 -0.154) 3.651 6.776 ( -3.782 1.880 3.375) 5.407 6.902 ( -0.427 -1.478 1.137) 1.913 7.050 ( 0.442 0.618 1.105) 1.341 7.106 ( 0.644 2.490 2.433) 3.540 7.172 ( -0.553 0.152 2.654) 2.715 7.266 ( -0.972 -2.605 1.316) 3.076 7.369 ( -0.941 1.765 -0.519) 2.066 7.568 ( -1.606 -4.323 -2.841) 5.416 7.917 ( 0.988 4.328 1.700) 4.754 7.997 ( -1.697 1.711 -2.305) 3.335 8.044 ( 1.219 -1.347 -3.151) 3.637 8.184 ( 2.187 -3.979 -6.474) 7.908 8.331 ( 1.970 2.616 -8.853) 9.439 8.374 ( 0.958 -0.005 -8.657) 8.710 8.507 ( 1.908 0.332 -15.219) 15.341 8.574 ( 1.800 -1.990 -14.056) 14.310 8.724 ( 0.873 2.146 -0.829) 2.460 8.807 ( 1.881 -1.105 -0.865) 2.347 9.452 ( -1.386 2.805 -2.914) 4.276 9.609 ( -0.120 -3.607 -3.252) 4.858 9.779 ( 0.947 5.172 -3.306) 6.211 10.005 ( 0.987 -3.769 -3.165) 5.019 10.152 ( 0.742 4.408 0.873) 4.554 10.422 ( 0.967 -6.496 0.253) 6.573 10.758 ( 0.886 5.533 7.111) 9.053 10.947 ( -0.063 -0.734 -5.698) 5.746 11.096 ( 2.270 -1.730 -6.936) 7.500 11.216 ( -2.432 0.833 -5.201) 5.802 11.245 ( -2.251 -3.065 -2.996) 4.841 11.314 ( 1.486 -1.875 -7.978) 8.329 11.750 ( -0.680 0.767 0.378) 1.093 11.807 ( 3.519 4.067 -6.034) 8.082 11.852 ( -0.526 -3.772 -0.636) 3.861 11.973 ( 0.650 -3.338 0.436) 3.429 12.161 ( 3.262 2.819 3.191) 5.364 12.217 ( 3.701 1.907 -0.435) 4.186 12.275 ( -3.865 4.526 -0.601) 5.982 12.476 ( 2.092 -0.257 -3.725) 4.280 12.759 ( -1.920 2.064 1.052) 3.009 12.781 ( 1.345 -1.945 0.002) 2.365 12.839 ( -5.237 -1.266 -1.108) 5.501 12.876 ( 1.282 -1.610 -0.555) 2.131 12.969 ( -1.445 -0.844 -1.513) 2.256 13.008 ( 2.817 -2.388 -0.727) 3.764 13.317 ( 0.240 4.634 -5.678) 7.333 13.476 ( 2.402 -3.006 -6.575) 7.618 13.902 ( 5.518 -0.098 8.790) 10.379 13.926 ( 4.972 -1.323 6.334) 8.161 14.165 ( 0.718 2.599 0.140) 2.700 14.268 ( -0.076 -1.422 0.239) 1.444 14.519 ( -4.454 0.301 3.658) 5.772 14.529 ( -1.717 0.280 2.659) 3.177 14.541 ( -2.624 0.977 4.424) 5.236 14.632 ( -9.703 -3.769 2.100) 10.619 21.440 ( -0.155 1.479 0.206) 1.501 21.521 ( 0.475 -1.496 -0.533) 1.657 21.790 ( 3.631 6.792 -0.763) 7.740 21.807 ( -3.277 4.113 -3.414) 6.270 21.897 ( 0.252 -0.226 -3.858) 3.873 22.152 ( 5.615 -0.715 -4.206) 7.052 22.231 ( -2.065 -1.553 -4.600) 5.275 22.305 ( -1.998 -1.904 -4.144) 4.979 22.569 ( -2.275 -0.215 -5.506) 5.961 22.596 ( -3.273 -1.101 -7.881) 8.605 22.682 ( -0.724 0.298 -0.530) 0.946 22.742 ( -1.245 -0.201 -3.430) 3.655 22.818 ( -2.996 1.607 -5.095) 6.125 22.911 ( -3.510 -1.259 -7.572) 8.440 23.134 ( 6.397 0.171 1.771) 6.640 23.183 ( 4.700 -1.728 0.033) 5.008 23.325 ( 1.854 0.478 -2.161) 2.887 23.330 ( 2.747 0.599 -1.173) 3.046 23.532 ( 1.096 1.220 5.261) 5.511 23.646 ( -1.157 -4.173 7.446) 8.613 23.857 ( 1.381 4.313 10.324) 11.274 23.979 ( -1.391 -0.007 3.937) 4.176 23.996 ( -4.890 -1.586 12.202) 13.240 24.087 ( -2.972 -1.323 8.294) 8.909 24.349 ( -0.852 2.166 8.240) 8.562 24.400 ( -1.191 3.633 -0.643) 3.877 24.514 ( 10.048 -3.015 7.854) 13.105 24.657 ( 0.287 -5.865 -1.091) 5.972 24.821 ( 0.050 3.218 -2.132) 3.860 24.945 ( 0.709 -2.246 -1.701) 2.905 25.009 ( 0.212 1.606 0.174) 1.629 25.068 ( -2.841 -0.762 -4.670) 5.519 ======================= Grid point 60 (35/63) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -3.929 -13.986 5.500) 15.533 0.981 ( -3.929 13.986 5.500) 15.533 1.137 ( -1.186 -9.145 9.923) 13.546 1.137 ( -1.186 9.145 9.923) 13.546 1.459 ( -5.489 -3.116 2.026) 6.629 1.459 ( -5.489 3.116 2.026) 6.629 1.555 ( -0.822 -5.741 4.968) 7.637 1.555 ( -0.822 5.741 4.968) 7.637 1.691 ( 3.342 -4.424 1.078) 5.648 1.691 ( 3.342 4.424 1.078) 5.648 1.765 ( -1.905 -2.273 5.192) 5.980 1.765 ( -1.905 2.273 5.192) 5.980 1.920 ( 1.637 -1.775 0.505) 2.466 1.920 ( 1.637 1.775 0.505) 2.466 2.044 ( 1.134 -4.423 2.057) 5.008 2.044 ( 1.134 4.423 2.057) 5.008 2.310 ( -1.094 -0.766 5.957) 6.105 2.310 ( -1.094 0.766 5.957) 6.105 2.354 ( 2.405 -4.472 5.849) 7.746 2.354 ( 2.405 4.473 5.849) 7.746 2.413 ( -3.320 -1.049 7.299) 8.087 2.413 ( -3.320 1.049 7.299) 8.087 2.507 ( -0.372 -4.212 6.939) 8.126 2.507 ( -0.372 4.212 6.939) 8.126 2.633 ( -3.616 -5.598 7.629) 10.130 2.633 ( -3.616 5.598 7.629) 10.130 2.745 ( 1.377 -3.760 2.534) 4.738 2.745 ( 1.377 3.760 2.534) 4.738 2.848 ( -1.478 -1.559 3.050) 3.730 2.848 ( -1.478 1.559 3.050) 3.730 2.998 ( 0.530 -4.789 4.427) 6.543 2.998 ( 0.530 4.789 4.427) 6.543 3.116 ( 0.108 -5.097 3.400) 6.128 3.116 ( 0.108 5.097 3.400) 6.128 3.298 ( -1.791 -2.159 3.163) 4.228 3.298 ( -1.791 2.159 3.163) 4.228 3.472 ( 0.225 -3.565 -2.858) 4.575 3.472 ( 0.225 3.565 -2.858) 4.575 3.640 ( -0.723 -3.370 -0.732) 3.524 3.640 ( -0.723 3.370 -0.732) 3.524 3.712 ( -0.079 -5.242 3.198) 6.141 3.712 ( -0.079 5.242 3.198) 6.141 3.899 ( -4.585 -1.750 1.866) 5.250 3.899 ( -4.585 1.750 1.866) 5.250 4.069 ( -1.152 -4.271 4.021) 5.979 4.069 ( -1.152 4.271 4.021) 5.979 4.149 ( 3.036 -0.808 0.257) 3.152 4.149 ( 3.036 0.808 0.257) 3.152 4.357 ( 2.024 -5.469 1.207) 5.955 4.357 ( 2.024 5.469 1.207) 5.955 4.551 ( 2.500 -4.093 0.994) 4.898 4.551 ( 2.500 4.093 0.994) 4.898 4.771 ( 2.197 -7.264 -2.207) 7.903 4.771 ( 2.197 7.264 -2.207) 7.903 4.942 ( -3.366 -9.142 1.688) 9.887 4.942 ( -3.366 9.142 1.688) 9.887 5.126 ( -0.979 -3.161 -5.152) 6.123 5.126 ( -0.979 3.161 -5.152) 6.123 5.345 ( 2.813 -0.310 -1.475) 3.191 5.345 ( 2.813 0.310 -1.475) 3.191 5.549 ( -1.748 -4.569 2.185) 5.357 5.549 ( -1.748 4.569 2.185) 5.357 5.640 ( 1.586 -2.469 -2.127) 3.624 5.640 ( 1.586 2.469 -2.127) 3.624 5.840 ( -2.456 -2.076 1.151) 3.415 5.840 ( -2.456 2.076 1.151) 3.415 5.937 ( 1.127 -1.541 3.088) 3.631 5.937 ( 1.127 1.541 3.088) 3.631 6.379 ( -1.343 -4.401 2.130) 5.071 6.379 ( -1.343 4.401 2.130) 5.071 6.841 ( 1.586 -5.638 1.187) 5.976 6.841 ( 1.586 5.638 1.187) 5.976 7.071 ( -2.119 -3.484 4.398) 5.997 7.071 ( -2.119 3.484 4.398) 5.997 7.224 ( -0.568 -1.418 1.700) 2.286 7.224 ( -0.568 1.418 1.700) 2.286 7.390 ( -1.884 -4.903 -2.496) 5.815 7.390 ( -1.884 4.903 -2.496) 5.815 8.007 ( 0.143 -2.453 -2.066) 3.210 8.007 ( 0.143 2.453 -2.066) 3.210 8.088 ( 1.049 -6.735 -1.731) 7.033 8.088 ( 1.049 6.735 -1.731) 7.033 8.362 ( 1.007 -1.855 -8.902) 9.149 8.362 ( 1.007 1.855 -8.902) 9.149 8.525 ( 2.141 -1.727 -15.107) 15.355 8.525 ( 2.141 1.727 -15.107) 15.355 8.803 ( 1.189 -2.156 -1.404) 2.834 8.803 ( 1.189 2.156 -1.404) 2.834 9.530 ( 1.674 -4.883 -2.212) 5.616 9.530 ( 1.674 4.883 -2.212) 5.616 9.904 ( 0.308 -5.667 -2.733) 6.299 9.904 ( 0.308 5.667 -2.733) 6.299 10.284 ( -0.039 -6.881 0.496) 6.899 10.284 ( -0.039 6.881 0.496) 6.899 10.919 ( 0.442 -2.880 -0.042) 2.914 10.919 ( 0.442 2.880 -0.042) 2.914 11.104 ( 0.444 -4.134 -3.964) 5.744 11.104 ( 0.444 4.134 -3.964) 5.744 11.275 ( 3.394 -3.527 -8.383) 9.708 11.275 ( 3.394 3.527 -8.383) 9.708 11.726 ( -3.269 -1.871 1.921) 4.228 11.726 ( -3.269 1.871 1.921) 4.228 11.912 ( 0.759 -2.629 -3.863) 4.734 11.912 ( 0.759 2.629 -3.863) 4.734 12.222 ( -4.739 -1.361 0.580) 4.965 12.222 ( -4.739 1.361 0.580) 4.965 12.404 ( 3.278 -5.618 -5.014) 8.213 12.404 ( 3.278 5.618 -5.014) 8.213 12.763 ( 0.805 -2.255 -0.310) 2.414 12.763 ( 0.805 2.255 -0.310) 2.414 12.841 ( -0.457 -2.109 0.363) 2.188 12.841 ( -0.457 2.109 0.363) 2.188 12.987 ( 1.474 -3.121 0.346) 3.469 12.987 ( 1.474 3.121 0.346) 3.469 13.427 ( 2.635 -4.309 -7.004) 8.635 13.427 ( 2.635 4.309 -7.004) 8.635 14.042 ( -1.011 -3.769 5.436) 6.691 14.042 ( -1.011 3.769 5.436) 6.691 14.160 ( -2.990 -1.831 4.489) 5.696 14.160 ( -2.990 1.831 4.489) 5.696 14.442 ( -1.665 -2.880 5.386) 6.331 14.442 ( -1.665 2.880 5.386) 6.331 14.530 ( 0.457 -0.346 2.461) 2.527 14.530 ( 0.457 0.346 2.461) 2.527 21.482 ( 0.067 -2.520 0.050) 2.521 21.482 ( 0.067 2.520 0.050) 2.521 21.801 ( -2.147 -2.980 -2.865) 4.658 21.801 ( -2.147 2.980 -2.865) 4.658 22.060 ( 0.672 -6.896 -7.614) 10.294 22.060 ( 0.672 6.896 -7.614) 10.294 22.291 ( 4.168 -1.561 -2.164) 4.949 22.291 ( 4.168 1.561 -2.164) 4.949 22.533 ( 2.219 -1.077 -6.717) 7.155 22.533 ( 2.219 1.077 -6.717) 7.155 22.696 ( -1.520 -1.332 -5.489) 5.849 22.696 ( -1.520 1.332 -5.489) 5.849 22.781 ( -0.913 -3.085 -3.255) 4.577 22.781 ( -0.913 3.085 -3.255) 4.577 23.234 ( 0.653 -1.332 1.120) 1.859 23.234 ( 0.653 1.332 1.120) 1.859 23.363 ( -0.456 -1.510 -1.758) 2.362 23.363 ( -0.456 1.510 -1.758) 2.362 23.572 ( 0.054 -2.111 6.636) 6.964 23.572 ( 0.054 2.111 6.636) 6.964 23.900 ( -5.032 -0.807 9.487) 10.770 23.900 ( -5.032 0.807 9.487) 10.770 24.025 ( 0.615 -4.233 6.074) 7.430 24.025 ( 0.615 4.233 6.074) 7.430 24.478 ( -0.196 -3.426 2.671) 4.349 24.478 ( -0.196 3.426 2.671) 4.349 24.551 ( 1.212 -4.287 7.125) 8.403 24.551 ( 1.212 4.287 7.125) 8.403 24.884 ( -0.114 -3.032 -1.930) 3.596 24.884 ( -0.114 3.032 -1.930) 3.596 25.024 ( 0.456 -1.134 -2.439) 2.728 25.024 ( 0.456 1.134 -2.439) 2.728 ======================= Grid point 62 (36/63) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 2.887 -11.091 5.018) 12.511 0.993 ( 2.887 11.091 5.018) 12.511 1.191 ( 3.093 -4.085 11.100) 12.226 1.191 ( 3.093 4.085 11.100) 12.226 1.371 ( -2.569 -1.281 2.177) 3.603 1.371 ( -2.569 1.281 2.177) 3.603 1.607 ( 1.407 -5.123 7.095) 8.864 1.607 ( 1.407 5.123 7.095) 8.864 1.726 ( 0.162 -3.442 4.675) 5.808 1.726 ( 0.162 3.442 4.675) 5.808 1.830 ( 5.392 -10.640 0.504) 11.939 1.830 ( 5.392 10.640 0.504) 11.939 1.937 ( -1.425 -0.515 1.733) 2.302 1.937 ( -1.425 0.515 1.733) 2.302 2.108 ( 4.034 -4.452 1.764) 6.261 2.108 ( 4.034 4.452 1.764) 6.261 2.232 ( -4.386 -2.722 4.863) 7.092 2.232 ( -4.386 2.722 4.863) 7.092 2.317 ( -4.187 -3.018 0.547) 5.191 2.317 ( -4.187 3.018 0.547) 5.191 2.414 ( -0.239 -4.207 10.595) 11.402 2.414 ( -0.239 4.207 10.595) 11.402 2.532 ( -1.604 -4.610 6.233) 7.917 2.532 ( -1.604 4.610 6.233) 7.917 2.656 ( 2.898 -1.170 5.761) 6.554 2.656 ( 2.898 1.170 5.761) 6.554 2.743 ( -1.086 -2.417 2.951) 3.966 2.743 ( -1.086 2.417 2.951) 3.966 2.813 ( -1.795 -1.823 1.446) 2.938 2.813 ( -1.795 1.823 1.446) 2.938 2.998 ( -1.913 -2.408 3.366) 4.559 2.998 ( -1.913 2.408 3.366) 4.559 3.124 ( -2.275 -3.183 5.865) 7.050 3.124 ( -2.275 3.183 5.865) 7.050 3.299 ( 2.281 -2.904 0.515) 3.728 3.299 ( 2.281 2.904 0.515) 3.728 3.467 ( -0.597 -2.291 -2.201) 3.232 3.467 ( -0.597 2.291 -2.201) 3.232 3.587 ( -2.838 -6.517 2.006) 7.386 3.587 ( -2.838 6.517 2.006) 7.386 3.699 ( 0.225 -2.237 2.948) 3.707 3.699 ( 0.225 2.237 2.948) 3.707 3.850 ( -0.270 -2.168 0.751) 2.310 3.850 ( -0.270 2.168 0.751) 2.310 4.114 ( 2.194 -3.245 4.931) 6.297 4.114 ( 2.194 3.245 4.931) 6.297 4.246 ( 3.825 -6.196 1.865) 7.517 4.246 ( 3.825 6.196 1.865) 7.517 4.454 ( 3.104 -3.318 2.746) 5.309 4.454 ( 3.104 3.318 2.746) 5.309 4.591 ( 0.409 -5.435 1.376) 5.621 4.591 ( 0.409 5.435 1.376) 5.621 4.753 ( 0.534 -4.317 -2.269) 4.907 4.753 ( 0.534 4.317 -2.269) 4.907 4.841 ( -5.750 -3.260 1.915) 6.882 4.841 ( -5.750 3.260 1.915) 6.882 5.108 ( 0.654 -1.119 -7.609) 7.718 5.108 ( 0.654 1.119 -7.609) 7.718 5.354 ( -4.540 -5.650 -1.510) 7.403 5.354 ( -4.540 5.650 -1.510) 7.403 5.529 ( 2.262 -6.988 1.210) 7.444 5.529 ( 2.262 6.988 1.210) 7.444 5.723 ( 5.421 -1.014 -0.911) 5.590 5.723 ( 5.421 1.014 -0.911) 5.590 5.815 ( 0.026 -1.486 3.721) 4.007 5.815 ( 0.026 1.486 3.721) 4.007 5.956 ( -0.516 -2.389 1.376) 2.805 5.956 ( -0.516 2.389 1.376) 2.805 6.331 ( -3.241 -3.105 1.321) 4.679 6.331 ( -3.241 3.105 1.321) 4.679 6.903 ( 2.922 -4.904 1.510) 5.904 6.903 ( 2.922 4.904 1.510) 5.904 7.037 ( -2.109 -2.818 4.436) 5.662 7.037 ( -2.109 2.818 4.436) 5.662 7.206 ( -0.620 -1.664 0.972) 2.024 7.206 ( -0.620 1.664 0.972) 2.024 7.370 ( 0.780 -3.870 -3.115) 5.029 7.370 ( 0.780 3.870 -3.115) 5.029 7.998 ( -0.464 -2.760 -0.927) 2.948 7.998 ( -0.464 2.760 -0.927) 2.948 8.104 ( 0.859 -4.896 -3.062) 5.838 8.104 ( 0.859 4.896 -3.062) 5.838 8.356 ( 0.910 -3.754 -7.583) 8.510 8.356 ( 0.910 3.754 -7.583) 8.510 8.531 ( 2.768 -0.944 -15.417) 15.692 8.531 ( 2.768 0.944 -15.417) 15.692 8.803 ( -0.547 -1.525 -2.186) 2.721 8.803 ( -0.547 1.525 -2.186) 2.721 9.569 ( 2.210 -5.133 -3.129) 6.405 9.569 ( 2.210 5.133 -3.129) 6.405 9.895 ( -0.277 -4.904 -3.005) 5.758 9.895 ( -0.277 4.904 -3.005) 5.758 10.275 ( -0.866 -6.903 0.705) 6.993 10.275 ( -0.866 6.903 0.705) 6.993 10.895 ( -1.898 -3.809 -0.761) 4.323 10.895 ( -1.898 3.809 -0.761) 4.323 11.128 ( 2.324 -1.705 -4.481) 5.328 11.128 ( 2.324 1.705 -4.481) 5.328 11.351 ( 4.503 -1.348 -3.018) 5.586 11.351 ( 4.503 1.348 -3.018) 5.586 11.667 ( -1.886 -0.135 -3.177) 3.697 11.667 ( -1.886 0.135 -3.177) 3.697 11.899 ( -0.616 -0.671 -2.231) 2.410 11.899 ( -0.616 0.671 -2.231) 2.410 12.120 ( -3.167 -1.863 0.853) 3.772 12.120 ( -3.167 1.863 0.853) 3.772 12.436 ( 0.443 -4.465 -3.660) 5.791 12.436 ( 0.443 4.465 -3.660) 5.791 12.795 ( 1.566 -1.159 -1.303) 2.344 12.795 ( 1.566 1.159 -1.303) 2.344 12.838 ( 0.489 -1.966 -0.639) 2.124 12.838 ( 0.489 1.966 -0.639) 2.124 13.019 ( 0.805 -5.098 1.562) 5.393 13.019 ( 0.805 5.098 1.562) 5.393 13.455 ( 1.412 -3.921 -6.199) 7.470 13.455 ( 1.412 3.921 -6.199) 7.470 13.873 ( -9.235 -1.873 6.707) 11.566 13.873 ( -9.235 1.873 6.707) 11.566 14.185 ( -0.223 -3.368 1.633) 3.749 14.185 ( -0.223 3.368 1.633) 3.749 14.500 ( 3.928 -2.659 3.803) 6.080 14.500 ( 3.928 2.659 3.803) 6.080 14.582 ( 3.162 -0.150 4.199) 5.259 14.582 ( 3.162 0.150 4.199) 5.259 21.481 ( -0.165 -2.154 -0.242) 2.174 21.481 ( -0.165 2.154 -0.242) 2.174 21.762 ( -0.396 -3.094 -2.008) 3.709 21.762 ( -0.396 3.094 -2.008) 3.709 22.049 ( 0.930 -4.367 -4.752) 6.520 22.049 ( 0.930 4.367 -4.752) 6.520 22.336 ( 0.441 -5.329 -4.816) 7.196 22.336 ( 0.441 5.329 -4.816) 7.196 22.594 ( 1.212 -1.194 -6.867) 7.075 22.594 ( 1.212 1.194 -6.867) 7.075 22.687 ( 4.878 -1.151 -4.855) 6.978 22.687 ( 4.878 1.151 -4.855) 6.978 22.791 ( 2.890 -2.715 -2.768) 4.836 22.791 ( 2.890 2.715 -2.768) 4.836 23.187 ( -4.928 -1.904 1.137) 5.404 23.187 ( -4.928 1.904 1.137) 5.404 23.332 ( -1.000 -2.682 -1.169) 3.092 23.332 ( -1.000 2.682 -1.169) 3.092 23.579 ( -1.917 -2.393 6.667) 7.339 23.579 ( -1.917 2.393 6.667) 7.339 23.837 ( -2.974 -0.865 8.680) 9.216 23.837 ( -2.974 0.865 8.680) 9.216 24.071 ( 1.908 -3.899 5.438) 6.958 24.071 ( 1.908 3.899 5.438) 6.958 24.440 ( -5.893 -3.365 10.508) 12.509 24.440 ( -5.893 3.365 10.508) 12.509 24.579 ( 1.686 -2.596 -0.875) 3.217 24.579 ( 1.686 2.596 -0.875) 3.217 24.872 ( -0.340 -2.068 -1.537) 2.599 24.872 ( -0.340 2.068 -1.537) 2.599 25.050 ( 1.891 -3.972 -2.561) 5.090 25.050 ( 1.891 3.972 -2.561) 5.090 ======================= Grid point 64 (37/63) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 3.897 -8.079 3.398) 9.592 1.088 ( 3.897 8.079 3.398) 9.592 1.282 ( -1.133 -5.089 6.256) 8.143 1.282 ( -1.133 5.089 6.256) 8.143 1.396 ( 5.294 -3.552 7.300) 9.692 1.396 ( 5.294 3.552 7.300) 9.692 1.578 ( -1.995 -5.278 5.828) 8.112 1.578 ( -1.995 5.278 5.828) 8.112 1.763 ( -2.345 -2.997 3.389) 5.095 1.763 ( -2.345 2.997 3.389) 5.095 1.856 ( -4.563 -1.555 5.110) 7.026 1.856 ( -4.563 1.555 5.110) 7.026 1.934 ( 3.243 -6.297 1.654) 7.274 1.934 ( 3.243 6.297 1.654) 7.274 2.146 ( -2.208 -2.963 -0.632) 3.749 2.146 ( -2.208 2.963 -0.632) 3.749 2.206 ( 1.034 -1.444 5.030) 5.334 2.206 ( 1.034 1.444 5.030) 5.334 2.325 ( 3.788 -3.596 1.449) 5.420 2.325 ( 3.788 3.596 1.449) 5.420 2.464 ( 2.457 -6.865 4.233) 8.431 2.464 ( 2.457 6.865 4.233) 8.431 2.521 ( -0.875 -3.615 4.696) 5.991 2.521 ( -0.875 3.615 4.696) 5.991 2.652 ( -4.017 -1.462 5.268) 6.784 2.652 ( -4.017 1.462 5.268) 6.784 2.735 ( -1.065 -2.404 1.606) 3.081 2.735 ( -1.065 2.404 1.606) 3.081 2.803 ( -0.650 -4.271 6.097) 7.473 2.803 ( -0.650 4.271 6.097) 7.473 2.948 ( -1.925 -3.763 3.633) 5.573 2.948 ( -1.925 3.763 3.633) 5.573 3.102 ( -0.812 -2.064 3.161) 3.862 3.102 ( -0.812 2.064 3.161) 3.862 3.313 ( -1.819 -2.159 1.535) 3.213 3.313 ( -1.819 2.159 1.535) 3.213 3.476 ( 2.257 -4.836 2.484) 5.887 3.476 ( 2.257 4.836 2.484) 5.887 3.562 ( -0.812 -3.791 -1.639) 4.210 3.562 ( -0.812 3.791 -1.639) 4.210 3.756 ( 2.703 -5.186 5.356) 7.930 3.756 ( 2.703 5.186 5.356) 7.930 3.873 ( 1.990 -3.967 -0.041) 4.439 3.873 ( 1.990 3.967 -0.041) 4.439 4.108 ( -3.853 -2.752 0.445) 4.756 4.108 ( -3.853 2.752 0.445) 4.756 4.299 ( 0.752 -8.274 8.462) 11.858 4.299 ( 0.752 8.274 8.462) 11.858 4.478 ( -0.955 -0.790 2.473) 2.767 4.478 ( -0.955 0.790 2.473) 2.767 4.551 ( -2.761 -2.168 3.606) 5.032 4.551 ( -2.761 2.168 3.606) 5.032 4.756 ( -1.029 -2.382 -1.681) 3.091 4.756 ( -1.029 2.382 -1.681) 3.091 4.832 ( 1.253 -2.231 -0.833) 2.691 4.832 ( 1.253 2.231 -0.833) 2.691 5.111 ( 3.480 -2.699 -3.762) 5.792 5.111 ( 3.480 2.699 -3.762) 5.792 5.240 ( -2.880 -3.977 -2.833) 5.669 5.240 ( -2.880 3.977 -2.833) 5.669 5.596 ( 2.166 -5.952 1.282) 6.463 5.596 ( 2.166 5.952 1.282) 6.463 5.742 ( -3.091 -6.133 4.712) 8.329 5.742 ( -3.091 6.133 4.712) 8.329 5.896 ( 0.088 -0.461 -1.865) 1.923 5.896 ( 0.088 0.461 -1.865) 1.923 5.927 ( 2.049 -2.331 -1.468) 3.433 5.927 ( 2.049 2.331 -1.468) 3.433 6.282 ( -0.719 -1.963 1.391) 2.511 6.282 ( -0.719 1.963 1.391) 2.511 6.953 ( 1.095 -4.031 1.847) 4.567 6.953 ( 1.095 4.031 1.847) 4.567 7.003 ( -2.225 -3.949 4.572) 6.438 7.003 ( -2.225 3.949 4.572) 6.438 7.219 ( 0.914 -1.186 0.563) 1.600 7.219 ( 0.914 1.186 0.563) 1.600 7.406 ( 3.490 -4.039 -3.353) 6.304 7.406 ( 3.490 4.039 -3.353) 6.304 7.981 ( -0.582 -3.130 -2.405) 3.990 7.981 ( -0.582 3.130 -2.405) 3.990 8.105 ( 0.209 -3.630 -3.125) 4.794 8.105 ( 0.209 3.630 -3.125) 4.794 8.358 ( 1.383 -4.114 -6.918) 8.167 8.358 ( 1.383 4.114 -6.918) 8.167 8.540 ( 2.331 -1.212 -15.210) 15.435 8.540 ( 2.331 1.212 -15.210) 15.435 8.776 ( -1.049 -1.146 -1.968) 2.508 8.776 ( -1.049 1.146 -1.968) 2.508 9.588 ( 0.317 -4.514 -3.381) 5.649 9.588 ( 0.317 4.514 -3.381) 5.649 9.881 ( 0.217 -4.925 -3.825) 6.240 9.881 ( 0.217 4.925 -3.825) 6.240 10.260 ( -0.478 -7.077 0.460) 7.108 10.260 ( -0.478 7.077 0.460) 7.108 10.856 ( -1.302 -5.626 0.111) 5.775 10.856 ( -1.302 5.626 0.111) 5.775 11.152 ( 1.182 -5.357 -5.989) 8.121 11.152 ( 1.182 5.357 -5.989) 8.121 11.398 ( -1.163 -4.088 3.453) 5.476 11.398 ( -1.163 4.088 3.453) 5.476 11.656 ( 3.794 -2.964 -10.794) 11.819 11.656 ( 3.794 2.964 -10.794) 11.819 11.898 ( 0.647 -2.809 0.073) 2.883 11.898 ( 0.647 2.809 0.073) 2.883 12.094 ( -0.069 -3.365 1.817) 3.824 12.094 ( -0.069 3.365 1.817) 3.824 12.425 ( 0.190 -4.853 -2.744) 5.578 12.425 ( 0.190 4.853 -2.744) 5.578 12.810 ( 0.342 -2.856 -0.059) 2.877 12.810 ( 0.342 2.856 -0.059) 2.877 12.841 ( -0.508 -6.850 -2.201) 7.213 12.841 ( -0.508 6.850 -2.201) 7.213 13.021 ( -0.957 -4.649 1.434) 4.959 13.021 ( -0.957 4.649 1.434) 4.959 13.445 ( -0.471 -1.145 -5.024) 5.174 13.445 ( -0.471 1.145 -5.024) 5.174 13.768 ( -2.613 -3.064 6.942) 8.025 13.768 ( -2.613 3.064 6.942) 8.025 14.175 ( 0.130 -3.523 -1.665) 3.899 14.175 ( 0.130 3.523 -1.665) 3.899 14.566 ( 0.871 -0.875 4.093) 4.275 14.566 ( 0.871 0.875 4.093) 4.275 14.667 ( 2.458 -2.292 3.829) 5.095 14.667 ( 2.458 2.292 3.829) 5.095 21.477 ( 0.001 -1.690 -0.481) 1.757 21.477 ( 0.001 1.690 -0.481) 1.757 21.770 ( 1.209 -3.365 -0.490) 3.609 21.770 ( 1.209 3.365 -0.490) 3.609 22.069 ( 1.678 -3.914 -5.078) 6.627 22.069 ( 1.678 3.914 -5.078) 6.627 22.301 ( -1.506 -6.996 -5.203) 8.848 22.301 ( -1.506 6.996 -5.203) 8.848 22.597 ( 1.871 -0.999 -4.609) 5.074 22.597 ( 1.871 0.999 -4.609) 5.074 22.728 ( 0.110 -0.707 -1.875) 2.007 22.728 ( 0.110 0.707 -1.875) 2.007 22.909 ( 6.365 -1.605 -4.702) 8.074 22.909 ( 6.365 1.605 -4.702) 8.074 23.080 ( -4.062 -0.446 0.307) 4.098 23.080 ( -4.062 0.446 0.307) 4.098 23.298 ( -1.839 -2.575 -2.561) 4.071 23.298 ( -1.839 2.575 -2.561) 4.071 23.562 ( -0.704 -1.357 6.639) 6.812 23.562 ( -0.704 1.357 6.639) 6.812 23.829 ( -0.342 -1.800 8.610) 8.803 23.829 ( -0.342 1.800 8.610) 8.803 24.121 ( 0.294 -2.622 5.442) 6.048 24.121 ( 0.294 2.622 5.442) 6.048 24.333 ( -5.704 -2.956 12.345) 13.917 24.333 ( -5.704 2.956 12.345) 13.917 24.608 ( 0.895 -4.197 -3.568) 5.581 24.608 ( 0.895 4.197 -3.568) 5.581 24.867 ( 0.371 -0.874 -0.727) 1.196 24.867 ( 0.371 0.874 -0.727) 1.196 25.067 ( 0.516 -4.827 -2.812) 5.610 25.067 ( 0.516 4.827 -2.812) 5.610 ======================= Grid point 66 (38/63) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -2.765 -3.473 4.234) 6.135 1.119 ( -2.765 3.473 4.234) 6.135 1.274 ( 0.324 -2.723 6.627) 7.171 1.274 ( 0.324 2.723 6.627) 7.171 1.500 ( -0.524 -7.788 4.705) 9.114 1.500 ( -0.524 7.788 4.705) 9.114 1.578 ( -1.371 -4.575 4.708) 6.706 1.578 ( -1.371 4.575 4.708) 6.706 1.712 ( -1.733 -3.411 1.410) 4.077 1.712 ( -1.733 3.411 1.410) 4.077 1.812 ( 2.557 -1.782 5.698) 6.495 1.812 ( 2.557 1.782 5.698) 6.495 1.987 ( -0.641 -2.767 3.038) 4.159 1.987 ( -0.641 2.767 3.038) 4.159 2.097 ( -0.731 -5.366 -0.232) 5.421 2.097 ( -0.731 5.366 -0.232) 5.421 2.204 ( -5.619 -6.097 3.254) 8.907 2.204 ( -5.619 6.097 3.254) 8.907 2.363 ( -1.153 -5.841 0.518) 5.976 2.363 ( -1.153 5.841 0.518) 5.976 2.444 ( -3.868 -4.084 5.543) 7.898 2.444 ( -3.868 4.084 5.543) 7.898 2.518 ( 0.619 -2.729 5.898) 6.528 2.518 ( 0.619 2.729 5.898) 6.528 2.616 ( -0.502 -1.421 5.661) 5.858 2.616 ( -0.502 1.421 5.661) 5.858 2.744 ( 0.658 -2.560 1.467) 3.023 2.744 ( 0.658 2.560 1.467) 3.023 2.835 ( 0.014 -2.994 7.240) 7.834 2.835 ( 0.014 2.994 7.240) 7.834 2.981 ( 3.723 -4.401 5.157) 7.734 2.981 ( 3.723 4.401 5.157) 7.734 3.065 ( -2.808 -3.920 5.488) 7.305 3.065 ( -2.808 3.920 5.488) 7.305 3.293 ( -0.722 -4.281 -0.182) 4.346 3.293 ( -0.722 4.281 -0.182) 4.346 3.462 ( -1.864 -5.693 -0.972) 6.069 3.462 ( -1.864 5.693 -0.972) 6.069 3.578 ( 0.817 -4.878 3.047) 5.810 3.578 ( 0.817 4.878 3.047) 5.810 3.813 ( -0.719 -3.137 -0.919) 3.347 3.813 ( -0.719 3.137 -0.919) 3.347 3.897 ( 1.669 -4.773 5.892) 7.764 3.897 ( 1.669 4.773 5.892) 7.764 4.071 ( 0.997 -2.860 -0.712) 3.111 4.071 ( 0.997 2.860 -0.712) 3.111 4.293 ( -4.388 -6.599 4.849) 9.291 4.293 ( -4.388 6.599 4.849) 9.291 4.456 ( -0.642 -4.487 5.518) 7.141 4.456 ( -0.642 4.487 5.518) 7.141 4.524 ( -2.633 -3.805 3.226) 5.641 4.524 ( -2.633 3.805 3.226) 5.641 4.719 ( -2.897 -3.409 -3.670) 5.786 4.719 ( -2.897 3.409 -3.670) 5.786 4.827 ( 3.407 -8.147 -1.599) 8.974 4.827 ( 3.407 8.147 -1.599) 8.974 5.152 ( -0.596 -5.096 0.935) 5.215 5.152 ( -0.596 5.096 0.935) 5.215 5.304 ( 7.500 -1.379 -4.812) 9.017 5.304 ( 7.500 1.379 -4.812) 9.017 5.616 ( -1.087 -5.899 0.004) 5.998 5.616 ( -1.087 5.899 0.004) 5.998 5.660 ( -4.728 -8.348 4.199) 10.472 5.660 ( -4.728 8.348 4.199) 10.472 5.814 ( -2.550 -0.670 0.324) 2.657 5.814 ( -2.550 0.670 0.324) 2.657 5.991 ( 1.342 -2.396 -3.017) 4.080 5.991 ( 1.342 2.396 -3.017) 4.080 6.316 ( 2.642 -0.629 1.501) 3.103 6.316 ( 2.642 0.629 1.501) 3.103 6.914 ( -4.003 -2.825 2.720) 5.605 6.914 ( -4.003 2.825 2.720) 5.605 7.032 ( 2.523 -3.293 3.995) 5.759 7.032 ( 2.523 3.293 3.995) 5.759 7.223 ( -0.590 -1.376 0.465) 1.568 7.223 ( -0.590 1.376 0.465) 1.568 7.467 ( 1.814 -4.841 -2.290) 5.654 7.467 ( 1.814 4.841 -2.290) 5.654 7.970 ( 1.009 -3.089 -4.617) 5.646 7.970 ( 1.009 3.089 -4.617) 5.646 8.097 ( -0.207 -3.659 -1.983) 4.167 8.097 ( -0.207 3.659 -1.983) 4.167 8.368 ( 1.384 -2.618 -7.206) 7.791 8.368 ( 1.384 2.618 -7.206) 7.791 8.536 ( 1.883 -1.600 -15.278) 15.476 8.536 ( 1.883 1.600 -15.278) 15.476 8.757 ( -0.052 -1.334 -1.115) 1.740 8.757 ( -0.052 1.334 -1.115) 1.740 9.563 ( -1.453 -3.896 -2.950) 5.098 9.563 ( -1.453 3.896 -2.950) 5.098 9.887 ( 1.317 -5.677 -4.098) 7.124 9.887 ( 1.317 5.677 -4.098) 7.124 10.260 ( 0.395 -7.196 0.143) 7.208 10.260 ( 0.395 7.196 0.143) 7.208 10.848 ( 0.459 -6.375 0.857) 6.448 10.848 ( 0.459 6.375 0.857) 6.448 11.145 ( 0.142 -7.107 -6.066) 9.345 11.145 ( 0.142 7.107 -6.066) 9.345 11.342 ( -3.296 -2.490 -1.740) 4.483 11.342 ( -3.296 2.490 -1.740) 4.483 11.742 ( 5.443 -1.805 -6.895) 8.968 11.742 ( 5.443 1.805 -6.895) 8.968 11.900 ( -0.741 -3.240 0.183) 3.328 11.900 ( -0.741 3.240 0.183) 3.328 12.119 ( 1.914 -2.938 2.376) 4.236 12.119 ( 1.914 2.938 2.376) 4.236 12.438 ( 1.271 -4.349 -2.954) 5.409 12.438 ( 1.271 4.349 -2.954) 5.409 12.797 ( -2.068 -6.807 -0.011) 7.114 12.797 ( -2.068 6.807 -0.011) 7.114 12.823 ( 0.498 -1.230 -0.588) 1.452 12.823 ( 0.498 1.230 -0.588) 1.452 12.999 ( -1.187 -1.638 -0.136) 2.028 12.999 ( -1.187 1.638 -0.136) 2.028 13.415 ( -0.548 -2.215 -4.979) 5.477 13.415 ( -0.548 2.215 -4.979) 5.477 13.788 ( 2.317 -2.439 6.882) 7.660 13.788 ( 2.317 2.439 6.882) 7.660 14.193 ( 1.847 -3.011 -1.655) 3.901 14.193 ( 1.847 3.011 -1.655) 3.901 14.570 ( -1.541 -0.395 3.987) 4.292 14.570 ( -1.541 0.395 3.987) 4.292 14.678 ( -2.946 -3.795 3.371) 5.869 14.678 ( -2.946 3.795 3.371) 5.869 21.478 ( 0.153 -1.831 -0.340) 1.868 21.478 ( 0.153 1.831 -0.340) 1.868 21.806 ( 2.089 -3.552 0.260) 4.129 21.806 ( 2.089 3.552 0.260) 4.129 22.058 ( -0.889 -4.299 -6.919) 8.194 22.058 ( -0.889 4.299 -6.919) 8.194 22.269 ( 0.085 -3.160 -5.265) 6.141 22.269 ( 0.085 3.160 -5.265) 6.141 22.625 ( 0.596 -0.948 -3.212) 3.401 22.625 ( 0.596 0.948 -3.212) 3.401 22.713 ( -0.801 -0.706 -0.932) 1.417 22.713 ( -0.801 0.706 -0.932) 1.417 22.972 ( -0.175 -1.050 -6.199) 6.290 22.972 ( -0.175 1.050 -6.199) 6.290 23.032 ( 1.195 -1.449 0.026) 1.878 23.032 ( 1.195 1.449 0.026) 1.878 23.279 ( 1.704 -0.995 -2.411) 3.116 23.279 ( 1.704 0.995 -2.411) 3.116 23.580 ( -0.247 -2.075 5.768) 6.135 23.580 ( -0.247 2.075 5.768) 6.135 23.874 ( 1.730 -3.159 9.386) 10.053 23.874 ( 1.730 3.159 9.386) 10.053 24.090 ( -4.194 -1.406 6.880) 8.179 24.090 ( -4.194 1.406 6.880) 8.179 24.324 ( 1.024 -4.212 11.845) 12.613 24.324 ( 1.024 4.212 11.845) 12.613 24.582 ( -1.929 -5.056 -3.954) 6.702 24.582 ( -1.929 5.056 -3.954) 6.702 24.880 ( 0.769 -1.962 -1.030) 2.346 24.880 ( 0.769 1.962 -1.030) 2.346 25.062 ( -0.097 -3.609 -2.636) 4.470 25.062 ( -0.097 3.609 -2.636) 4.470 ======================= Grid point 68 (39/63) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -3.615 -8.210 5.580) 10.564 1.061 ( -3.615 8.210 5.580) 10.564 1.224 ( -8.167 -8.981 7.160) 14.093 1.224 ( -8.167 8.981 7.160) 14.093 1.465 ( 1.829 -4.950 3.528) 6.347 1.465 ( 1.829 4.950 3.528) 6.347 1.597 ( -1.816 -10.234 3.464) 10.956 1.597 ( -1.816 10.234 3.464) 10.956 1.689 ( -0.771 -3.160 0.559) 3.300 1.689 ( -0.771 3.160 0.559) 3.300 1.850 ( -4.276 -2.398 0.575) 4.936 1.850 ( -4.276 2.398 0.575) 4.936 1.947 ( -6.875 -2.563 4.319) 8.514 1.947 ( -6.875 2.563 4.319) 8.514 2.010 ( 0.236 -4.951 1.863) 5.295 2.010 ( 0.236 4.951 1.863) 5.295 2.184 ( 5.240 -3.914 5.897) 8.806 2.184 ( 5.240 3.914 5.897) 8.806 2.347 ( 0.447 -6.105 2.184) 6.499 2.347 ( 0.447 6.105 2.184) 6.499 2.424 ( -2.948 -5.224 10.918) 12.457 2.424 ( -2.948 5.224 10.918) 12.457 2.574 ( -2.662 -0.659 7.101) 7.612 2.574 ( -2.662 0.659 7.101) 7.612 2.608 ( 2.558 -2.849 3.332) 5.076 2.608 ( 2.558 2.849 3.332) 5.076 2.726 ( -1.723 -3.739 5.074) 6.534 2.726 ( -1.723 3.739 5.074) 6.534 2.852 ( -0.461 -3.992 6.636) 7.758 2.852 ( -0.461 3.992 6.636) 7.758 2.999 ( -1.999 -5.956 6.715) 9.196 2.999 ( -1.999 5.956 6.715) 9.196 3.108 ( 1.573 -5.586 -0.847) 5.865 3.108 ( 1.573 5.586 -0.847) 5.865 3.276 ( 1.464 -2.038 1.774) 3.073 3.276 ( 1.464 2.038 1.774) 3.073 3.483 ( 1.225 -1.370 -3.031) 3.545 3.483 ( 1.225 1.370 -3.031) 3.545 3.593 ( 1.414 -4.027 5.499) 6.961 3.593 ( 1.414 4.027 5.499) 6.961 3.748 ( -3.114 -4.159 -0.408) 5.212 3.748 ( -3.114 4.159 -0.408) 5.212 3.951 ( -0.796 -1.636 5.038) 5.357 3.951 ( -0.796 1.636 5.038) 5.357 4.087 ( 0.490 -6.893 -1.971) 7.186 4.087 ( 0.490 6.893 -1.971) 7.186 4.186 ( -5.440 -5.908 3.366) 8.708 4.186 ( -5.440 5.908 3.366) 8.708 4.410 ( -5.859 -3.907 1.168) 7.138 4.410 ( -5.859 3.907 1.168) 7.138 4.494 ( 1.498 -3.884 3.130) 5.208 4.494 ( 1.498 3.884 3.130) 5.208 4.699 ( 2.758 -6.502 -3.513) 7.888 4.699 ( 2.758 6.502 -3.513) 7.888 4.933 ( 4.283 -7.610 0.654) 8.757 4.933 ( 4.283 7.610 0.654) 8.757 5.145 ( -0.042 -1.948 -1.221) 2.299 5.145 ( -0.042 1.948 -1.221) 2.299 5.356 ( -1.733 -4.490 -2.713) 5.525 5.356 ( -1.733 4.490 -2.713) 5.525 5.565 ( -1.202 -4.241 1.366) 4.615 5.565 ( -1.202 4.241 1.366) 4.615 5.627 ( 0.032 -5.133 -0.627) 5.172 5.627 ( 0.032 5.133 -0.627) 5.172 5.831 ( 2.790 -3.410 0.842) 4.485 5.831 ( 2.790 3.410 0.842) 4.485 5.961 ( -3.132 -1.476 -0.023) 3.462 5.961 ( -3.132 1.476 -0.023) 3.462 6.371 ( 1.456 -2.294 1.984) 3.365 6.371 ( 1.456 2.294 1.984) 3.365 6.846 ( -2.451 -4.072 2.257) 5.261 6.846 ( -2.451 4.072 2.257) 5.261 7.083 ( 0.302 -3.077 4.019) 5.071 7.083 ( 0.302 3.077 4.019) 5.071 7.216 ( 0.119 -2.854 1.399) 3.181 7.216 ( 0.119 2.854 1.399) 3.181 7.451 ( -2.249 -6.039 -2.202) 6.810 7.451 ( -2.249 6.039 -2.202) 6.810 7.994 ( 1.970 -2.716 -4.328) 5.476 7.994 ( 1.970 2.716 -4.328) 5.476 8.085 ( -0.299 -5.348 -1.185) 5.485 8.085 ( -0.299 5.348 -1.185) 5.485 8.368 ( 0.973 -0.870 -8.423) 8.523 8.368 ( 0.973 0.870 -8.423) 8.523 8.529 ( 1.924 -1.899 -15.211) 15.450 8.529 ( 1.924 1.899 -15.211) 15.450 8.772 ( 1.513 -2.191 -0.591) 2.727 8.772 ( 1.513 2.191 -0.591) 2.727 9.526 ( -0.718 -4.128 -2.330) 4.794 9.526 ( -0.718 4.128 -2.330) 4.794 9.900 ( 0.897 -5.975 -3.326) 6.897 9.900 ( 0.897 5.975 -3.326) 6.897 10.274 ( 0.711 -7.041 0.113) 7.078 10.274 ( 0.711 7.041 0.113) 7.078 10.881 ( 2.149 -5.554 0.908) 6.024 10.881 ( 2.149 5.554 0.908) 6.024 11.125 ( -0.344 -4.484 -5.346) 6.986 11.125 ( -0.344 4.484 -5.346) 6.986 11.275 ( -1.090 -1.978 -6.899) 7.259 11.275 ( -1.090 1.978 -6.899) 7.259 11.784 ( -1.589 -2.556 1.286) 3.273 11.784 ( -1.589 2.556 1.286) 3.273 11.895 ( 1.521 -4.121 -4.301) 6.147 11.895 ( 1.521 4.121 -4.301) 6.147 12.202 ( 4.588 -1.425 2.152) 5.264 12.202 ( 4.588 1.425 2.152) 5.264 12.419 ( -1.992 -5.787 -5.118) 7.978 12.419 ( -1.992 5.787 -5.118) 7.978 12.766 ( -0.914 -1.090 1.320) 1.941 12.766 ( -0.914 1.090 1.320) 1.941 12.839 ( 0.827 -2.410 -0.506) 2.598 12.839 ( 0.827 2.410 -0.506) 2.598 12.975 ( -0.548 -1.379 -0.467) 1.556 12.975 ( -0.548 1.379 -0.467) 1.556 13.403 ( 1.266 -3.820 -6.397) 7.558 13.403 ( 1.266 3.820 -6.397) 7.558 13.905 ( 6.227 -0.582 7.441) 9.720 13.905 ( 6.227 0.582 7.441) 9.720 14.223 ( 0.148 -2.712 0.659) 2.794 14.223 ( 0.148 2.712 0.659) 2.794 14.529 ( -3.660 -0.371 2.530) 4.465 14.529 ( -3.660 0.371 2.530) 4.465 14.569 ( -6.567 -2.018 4.704) 8.326 14.569 ( -6.567 2.018 4.704) 8.326 21.480 ( 0.102 -2.200 -0.084) 2.204 21.480 ( 0.102 2.200 -0.084) 2.204 21.839 ( 0.067 -1.825 -0.698) 1.955 21.839 ( 0.067 1.825 -0.698) 1.955 22.036 ( 2.275 -9.133 -8.377) 12.600 22.036 ( 2.275 9.133 -8.377) 12.600 22.256 ( 0.044 -2.609 -3.576) 4.427 22.256 ( 0.044 2.609 -3.576) 4.427 22.574 ( -2.843 -0.767 -6.254) 6.912 22.574 ( -2.843 0.767 -6.254) 6.912 22.709 ( 0.440 -2.012 -0.500) 2.119 22.709 ( 0.440 2.012 -0.500) 2.119 22.868 ( -4.750 -2.613 -7.010) 8.862 22.868 ( -4.750 2.613 -7.010) 8.862 23.151 ( 6.432 -1.348 0.539) 6.594 23.151 ( 6.432 1.348 0.539) 6.594 23.332 ( 2.957 -0.391 -1.611) 3.390 23.332 ( 2.957 0.391 -1.611) 3.390 23.573 ( -1.699 -2.726 5.823) 6.650 23.573 ( -1.699 2.726 5.823) 6.650 23.938 ( 0.149 -3.121 10.313) 10.776 23.938 ( 0.149 3.121 10.313) 10.776 24.024 ( -3.249 -3.277 6.693) 8.130 24.024 ( -3.249 3.277 6.693) 8.130 24.420 ( 3.815 -3.474 10.863) 12.026 24.420 ( 3.815 3.474 10.863) 12.026 24.527 ( -1.479 -5.885 -2.032) 6.399 24.527 ( -1.479 5.885 -2.032) 6.399 24.887 ( 0.342 -3.105 -1.860) 3.635 24.887 ( 0.342 3.105 -1.860) 3.635 25.044 ( -0.925 -1.528 -2.302) 2.914 25.044 ( -0.925 1.528 -2.302) 2.914 ======================= Grid point 75 (40/63) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 2.334 0.000 12.287) 12.507 1.188 ( 6.753 0.000 17.990) 19.216 1.255 ( 2.586 0.000 5.850) 6.396 1.295 ( -5.512 0.000 -4.524) 7.131 1.448 ( -3.902 0.000 -2.332) 4.546 1.499 ( -4.786 0.000 -0.551) 4.817 1.539 ( -1.139 0.000 -0.219) 1.160 1.627 ( 3.140 0.000 3.825) 4.948 1.662 ( -0.316 0.000 -3.750) 3.763 1.807 ( 1.574 0.000 -2.315) 2.799 1.890 ( 0.329 0.000 0.959) 1.014 1.892 ( 3.992 0.000 0.850) 4.082 1.995 ( -1.575 0.000 4.696) 4.953 2.001 ( 0.995 0.000 2.709) 2.886 2.081 ( 0.622 0.000 1.466) 1.592 2.085 ( -3.748 0.000 3.526) 5.146 2.266 ( 0.073 0.000 3.762) 3.763 2.374 ( 3.411 0.000 1.710) 3.816 2.408 ( 2.641 0.000 4.969) 5.627 2.423 ( -7.211 0.000 3.697) 8.103 2.472 ( 3.939 0.000 1.672) 4.279 2.489 ( -3.712 0.000 -2.958) 4.747 2.567 ( -5.123 0.000 3.782) 6.367 2.618 ( 0.398 0.000 6.275) 6.288 2.711 ( 2.024 0.000 0.659) 2.129 2.712 ( 0.595 0.000 2.850) 2.912 2.766 ( -3.371 0.000 3.799) 5.079 2.823 ( -0.649 0.000 0.730) 0.977 2.906 ( -6.502 0.000 9.439) 11.461 3.060 ( -2.833 0.000 3.614) 4.592 3.061 ( -0.896 0.000 5.146) 5.223 3.146 ( -4.423 0.000 6.079) 7.518 3.213 ( -0.271 0.000 6.643) 6.648 3.233 ( -0.737 0.000 7.208) 7.246 3.325 ( 7.947 0.000 -3.432) 8.656 3.386 ( 0.502 0.000 1.243) 1.340 3.461 ( -5.706 0.000 -1.879) 6.007 3.470 ( 2.354 0.000 -6.215) 6.646 3.505 ( 0.682 0.000 -0.992) 1.204 3.522 ( -1.512 0.000 -1.467) 2.107 3.772 ( -1.525 0.000 0.422) 1.582 3.810 ( 0.978 0.000 -0.515) 1.106 3.934 ( -3.522 0.000 1.511) 3.832 4.026 ( -6.459 0.000 3.776) 7.482 4.035 ( 2.505 0.000 -2.008) 3.211 4.084 ( 3.050 0.000 0.130) 3.053 4.237 ( 1.956 0.000 3.298) 3.835 4.274 ( 4.301 0.000 4.630) 6.320 4.303 ( 3.095 0.000 -0.713) 3.176 4.454 ( 0.776 0.000 -2.886) 2.988 4.538 ( -2.215 0.000 8.240) 8.532 4.614 ( 1.043 0.000 1.737) 2.026 4.701 ( 6.321 0.000 5.479) 8.365 4.802 ( -6.133 0.000 2.007) 6.453 4.910 ( -0.712 0.000 -2.301) 2.409 4.931 ( 1.128 0.000 -2.908) 3.119 5.107 ( -0.547 0.000 -1.571) 1.663 5.184 ( -3.533 0.000 -3.942) 5.293 5.226 ( 4.215 0.000 1.199) 4.382 5.342 ( -5.535 0.000 -0.861) 5.601 5.488 ( 2.206 0.000 -0.080) 2.208 5.601 ( 2.948 0.000 -1.061) 3.133 5.723 ( 1.232 0.000 6.711) 6.823 5.757 ( -2.461 0.000 2.112) 3.243 5.821 ( 0.475 0.000 2.364) 2.411 5.908 ( 2.437 0.000 3.563) 4.317 5.944 ( -3.366 0.000 -0.047) 3.366 5.953 ( 3.196 0.000 1.043) 3.362 6.416 ( -5.369 0.000 12.922) 13.993 6.471 ( 0.272 0.000 4.119) 4.128 6.777 ( -1.410 0.000 0.874) 1.659 6.854 ( -2.928 0.000 -0.177) 2.933 6.989 ( 0.776 0.000 -1.991) 2.137 7.056 ( -1.781 0.000 -0.901) 1.995 7.275 ( 3.578 0.000 0.706) 3.648 7.282 ( 0.890 0.000 -3.079) 3.205 7.363 ( -0.074 0.000 -1.007) 1.009 7.431 ( -1.399 0.000 -8.049) 8.170 7.804 ( 0.981 0.000 -6.673) 6.744 7.934 ( 0.842 0.000 -2.739) 2.865 8.029 ( -3.913 0.000 -4.355) 5.855 8.081 ( 1.606 0.000 -10.620) 10.741 8.132 ( 2.551 0.000 -2.667) 3.691 8.268 ( 1.746 0.000 -5.524) 5.794 8.283 ( 1.832 0.000 -4.448) 4.811 8.372 ( 1.060 0.000 -8.174) 8.242 8.733 ( 1.815 0.000 0.826) 1.994 8.807 ( -0.003 0.000 -2.670) 2.670 9.363 ( -1.725 0.000 0.816) 1.908 9.536 ( 2.835 0.000 -6.892) 7.452 9.765 ( 0.537 0.000 2.761) 2.813 9.941 ( 0.089 0.000 -5.714) 5.715 10.224 ( -0.737 0.000 6.837) 6.876 10.477 ( 1.255 0.000 -4.989) 5.144 10.770 ( -0.115 0.000 -4.441) 4.443 10.892 ( 1.468 0.000 -5.523) 5.715 10.971 ( -0.321 0.000 5.791) 5.799 11.043 ( -1.302 0.000 -1.824) 2.241 11.214 ( 5.416 0.000 -8.068) 9.717 11.251 ( 0.130 0.000 -4.142) 4.144 11.716 ( -4.223 0.000 2.006) 4.675 11.818 ( 4.345 0.000 -2.006) 4.785 11.968 ( 0.901 0.000 3.498) 3.612 11.985 ( -5.019 0.000 4.545) 6.771 12.123 ( -2.519 0.000 2.244) 3.373 12.210 ( -2.819 0.000 0.813) 2.934 12.286 ( 5.023 0.000 -3.210) 5.961 12.366 ( 1.186 0.000 -8.475) 8.558 12.688 ( -4.222 0.000 4.679) 6.302 12.781 ( -1.291 0.000 1.704) 2.138 12.803 ( 0.397 0.000 -0.453) 0.602 12.874 ( -0.171 0.000 -2.649) 2.654 12.982 ( -0.077 0.000 2.028) 2.029 13.136 ( 2.281 0.000 -5.020) 5.514 13.167 ( 5.862 0.000 0.736) 5.908 13.363 ( 0.500 0.000 -9.639) 9.652 14.062 ( -2.658 0.000 6.618) 7.132 14.187 ( -0.294 0.000 1.618) 1.644 14.202 ( 1.820 0.000 2.540) 3.125 14.244 ( -2.649 0.000 -0.891) 2.794 14.476 ( -5.707 0.000 5.550) 7.960 14.547 ( 2.027 0.000 1.521) 2.534 14.574 ( 0.597 0.000 1.568) 1.678 14.592 ( -0.275 0.000 1.723) 1.745 21.428 ( -0.431 0.000 0.821) 0.927 21.478 ( -0.939 0.000 -1.591) 1.847 21.759 ( 2.116 0.000 3.392) 3.998 21.788 ( 1.499 0.000 -0.876) 1.736 21.849 ( 1.767 0.000 -1.831) 2.545 22.068 ( -6.444 0.000 -9.037) 11.100 22.178 ( -1.929 0.000 -0.878) 2.120 22.218 ( 5.569 0.000 -3.367) 6.508 22.423 ( 5.945 0.000 -1.262) 6.078 22.468 ( -1.067 0.000 -3.116) 3.294 22.620 ( -2.019 0.000 -1.338) 2.422 22.657 ( -0.954 0.000 -1.570) 1.837 22.706 ( -0.876 0.000 -2.186) 2.355 22.713 ( -0.289 0.000 -3.919) 3.930 23.216 ( -1.130 0.000 1.273) 1.702 23.264 ( -0.213 0.000 -1.103) 1.124 23.304 ( 1.035 0.000 1.368) 1.715 23.349 ( 1.144 0.000 -1.116) 1.599 23.745 ( 3.613 0.000 5.500) 6.580 23.801 ( -5.026 0.000 3.347) 6.039 23.960 ( -1.210 0.000 4.298) 4.465 24.081 ( -0.613 0.000 -0.124) 0.625 24.103 ( -1.167 0.000 10.126) 10.193 24.191 ( -1.862 0.000 8.498) 8.700 24.362 ( 1.172 0.000 -0.394) 1.236 24.503 ( 0.165 0.000 9.666) 9.667 24.528 ( 3.036 0.000 -11.283) 11.685 24.767 ( -4.493 0.000 -5.420) 7.040 24.794 ( 0.170 0.000 3.205) 3.210 24.930 ( 0.161 0.000 -3.630) 3.634 25.018 ( -2.104 0.000 1.514) 2.592 25.022 ( 5.308 0.000 1.100) 5.421 ======================= Grid point 76 (41/63) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 3.814 0.000 9.056) 9.826 1.162 ( -3.023 0.000 -0.547) 3.072 1.297 ( -2.254 0.000 6.956) 7.312 1.319 ( -2.314 0.000 6.049) 6.476 1.410 ( -2.469 0.000 0.817) 2.600 1.481 ( 1.496 0.000 -1.651) 2.228 1.568 ( 7.801 0.000 1.455) 7.936 1.626 ( -1.906 0.000 5.967) 6.264 1.684 ( 3.424 0.000 -2.984) 4.541 1.824 ( 2.014 0.000 -0.610) 2.104 1.866 ( -0.492 0.000 -4.977) 5.002 1.996 ( 0.967 0.000 5.467) 5.552 2.006 ( 5.869 0.000 0.172) 5.872 2.037 ( 0.777 0.000 5.289) 5.345 2.081 ( -1.693 0.000 4.342) 4.661 2.174 ( 4.271 0.000 -1.531) 4.537 2.284 ( -3.489 0.000 -3.138) 4.693 2.316 ( 0.247 0.000 6.502) 6.507 2.319 ( -8.098 0.000 7.597) 11.104 2.444 ( -1.212 0.000 0.788) 1.446 2.471 ( 1.459 0.000 -2.229) 2.664 2.472 ( -1.725 0.000 5.561) 5.822 2.544 ( 1.364 0.000 2.838) 3.149 2.650 ( 1.585 0.000 7.859) 8.018 2.708 ( 1.639 0.000 5.742) 5.971 2.720 ( 0.095 0.000 2.495) 2.497 2.743 ( 1.040 0.000 -2.095) 2.339 2.835 ( 0.773 0.000 2.180) 2.313 2.914 ( -1.981 0.000 3.572) 4.085 2.988 ( -5.170 0.000 8.106) 9.615 3.009 ( -1.510 0.000 7.126) 7.284 3.115 ( -1.499 0.000 2.564) 2.970 3.204 ( -4.256 0.000 7.118) 8.294 3.245 ( 4.015 0.000 0.564) 4.054 3.345 ( -3.375 0.000 0.490) 3.410 3.353 ( -1.947 0.000 0.124) 1.951 3.442 ( -1.767 0.000 -3.629) 4.036 3.497 ( 0.876 0.000 5.455) 5.525 3.507 ( 1.496 0.000 2.611) 3.009 3.551 ( 9.118 0.000 -7.594) 11.866 3.763 ( 0.043 0.000 2.863) 2.864 3.813 ( -3.541 0.000 -2.023) 4.079 3.902 ( -1.565 0.000 0.802) 1.758 3.920 ( -1.144 0.000 3.042) 3.250 4.008 ( -4.526 0.000 -2.292) 5.074 4.093 ( -2.821 0.000 2.543) 3.798 4.321 ( 1.442 0.000 5.171) 5.368 4.389 ( 4.986 0.000 6.329) 8.057 4.429 ( 6.397 0.000 -0.916) 6.463 4.499 ( 0.604 0.000 1.799) 1.898 4.523 ( 3.757 0.000 3.437) 5.092 4.614 ( -3.373 0.000 -1.205) 3.582 4.672 ( -2.969 0.000 0.494) 3.010 4.831 ( 0.971 0.000 -4.527) 4.630 4.928 ( -0.836 0.000 -1.860) 2.039 4.942 ( 7.854 0.000 1.170) 7.941 5.070 ( -2.755 0.000 0.675) 2.836 5.071 ( -2.177 0.000 -3.247) 3.909 5.211 ( -6.465 0.000 1.989) 6.764 5.363 ( 3.787 0.000 0.253) 3.796 5.573 ( 4.738 0.000 -0.102) 4.739 5.678 ( 4.383 0.000 -2.676) 5.135 5.719 ( -1.786 0.000 2.063) 2.729 5.741 ( 0.261 0.000 1.400) 1.424 5.858 ( 1.129 0.000 7.084) 7.173 5.880 ( -1.962 0.000 0.795) 2.117 5.960 ( 1.466 0.000 3.456) 3.754 6.013 ( 0.771 0.000 -1.478) 1.667 6.361 ( -2.924 0.000 12.696) 13.028 6.421 ( -5.807 0.000 6.086) 8.412 6.760 ( 0.215 0.000 -2.117) 2.127 6.837 ( 1.241 0.000 0.994) 1.589 6.994 ( -0.136 0.000 0.905) 0.916 7.033 ( 0.664 0.000 -3.994) 4.049 7.312 ( 1.995 0.000 -2.288) 3.036 7.321 ( -0.564 0.000 3.157) 3.207 7.349 ( -0.470 0.000 -1.379) 1.456 7.407 ( 2.169 0.000 -5.693) 6.092 7.823 ( 2.256 0.000 -5.127) 5.601 7.904 ( -2.530 0.000 -12.095) 12.357 7.956 ( -0.593 0.000 0.658) 0.886 8.085 ( 2.207 0.000 -10.976) 11.196 8.168 ( 1.050 0.000 0.384) 1.118 8.265 ( -1.492 0.000 -6.929) 7.088 8.290 ( 1.541 0.000 -5.715) 5.919 8.396 ( 2.688 0.000 -6.869) 7.376 8.761 ( 0.295 0.000 0.028) 0.296 8.775 ( -1.641 0.000 -3.658) 4.009 9.341 ( -0.075 0.000 -0.830) 0.833 9.573 ( 2.125 0.000 -6.818) 7.141 9.768 ( -1.062 0.000 2.386) 2.612 9.911 ( -0.907 0.000 -5.779) 5.850 10.215 ( -1.854 0.000 6.321) 6.587 10.449 ( -1.825 0.000 -5.022) 5.343 10.792 ( 3.088 0.000 -3.783) 4.884 10.905 ( 2.341 0.000 -9.518) 9.801 11.002 ( -0.465 0.000 11.148) 11.158 11.058 ( 2.496 0.000 -1.852) 3.108 11.249 ( 1.859 0.000 -6.296) 6.565 11.336 ( 7.960 0.000 -7.756) 11.114 11.602 ( -6.268 0.000 -2.375) 6.703 11.786 ( -7.364 0.000 2.419) 7.751 11.940 ( -4.943 0.000 4.965) 7.006 11.943 ( 0.665 0.000 2.055) 2.159 12.109 ( 0.640 0.000 0.038) 0.641 12.133 ( -1.199 0.000 2.700) 2.955 12.378 ( 3.513 0.000 -0.921) 3.632 12.428 ( 4.856 0.000 -6.952) 8.481 12.632 ( -2.689 0.000 4.424) 5.177 12.767 ( -0.395 0.000 1.887) 1.927 12.800 ( -0.551 0.000 0.312) 0.633 12.834 ( -2.107 0.000 -2.404) 3.197 12.984 ( -0.100 0.000 0.823) 0.829 13.201 ( 4.796 0.000 -5.650) 7.411 13.291 ( 4.388 0.000 1.356) 4.592 13.361 ( 1.919 0.000 -11.084) 11.249 13.973 ( -7.845 0.000 6.815) 10.392 14.067 ( -7.231 0.000 1.578) 7.402 14.088 ( -6.892 0.000 5.715) 8.954 14.239 ( 0.425 0.000 -1.955) 2.001 14.520 ( 3.253 0.000 4.049) 5.194 14.593 ( 1.051 0.000 1.821) 2.103 14.640 ( 3.721 0.000 2.760) 4.633 14.649 ( 4.978 0.000 1.637) 5.240 21.427 ( -0.018 0.000 1.407) 1.407 21.465 ( 0.185 0.000 -0.954) 0.972 21.766 ( -0.882 0.000 -1.746) 1.956 21.795 ( -0.480 0.000 -0.720) 0.865 21.935 ( 3.813 0.000 3.619) 5.257 21.943 ( -2.210 0.000 -8.897) 9.167 22.137 ( -0.594 0.000 -1.812) 1.906 22.329 ( 5.172 0.000 -5.124) 7.281 22.458 ( 1.512 0.000 -4.046) 4.319 22.579 ( 5.061 0.000 -4.357) 6.678 22.635 ( 2.994 0.000 1.373) 3.294 22.651 ( 4.196 0.000 0.386) 4.214 22.688 ( 0.165 0.000 -1.840) 1.848 22.751 ( 3.911 0.000 -2.350) 4.563 23.179 ( -2.442 0.000 1.836) 3.056 23.240 ( -1.931 0.000 -1.014) 2.181 23.261 ( -5.582 0.000 1.051) 5.680 23.351 ( -0.510 0.000 -2.635) 2.684 23.672 ( -6.002 0.000 2.233) 6.404 23.758 ( -3.249 0.000 6.258) 7.051 23.949 ( -0.777 0.000 5.726) 5.778 24.055 ( -4.450 0.000 8.870) 9.924 24.086 ( 0.820 0.000 0.856) 1.186 24.283 ( 5.752 0.000 6.340) 8.560 24.386 ( 1.217 0.000 -1.948) 2.297 24.522 ( -2.869 0.000 -9.368) 9.797 24.527 ( -1.940 0.000 10.722) 10.897 24.651 ( -1.742 0.000 -2.117) 2.742 24.819 ( 1.087 0.000 2.683) 2.895 24.914 ( -0.737 0.000 -1.434) 1.613 24.971 ( -1.821 0.000 0.291) 1.844 25.099 ( 1.653 0.000 -2.693) 3.160 ======================= Grid point 77 (42/63) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -4.257 0.000 3.164) 5.304 1.159 ( 2.716 0.000 -0.819) 2.837 1.239 ( -2.579 0.000 8.906) 9.272 1.310 ( 0.019 0.000 1.403) 1.404 1.421 ( 2.485 0.000 0.592) 2.554 1.455 ( -0.957 0.000 -0.577) 1.118 1.600 ( -0.690 0.000 9.368) 9.393 1.733 ( 4.095 0.000 -0.066) 4.095 1.758 ( 1.347 0.000 -0.957) 1.652 1.839 ( 0.563 0.000 1.403) 1.512 1.908 ( 3.730 0.000 -0.832) 3.822 1.980 ( -3.906 0.000 -1.117) 4.062 2.032 ( -10.304 0.000 5.017) 11.460 2.074 ( 0.222 0.000 7.646) 7.649 2.077 ( 3.124 0.000 0.247) 3.134 2.167 ( -3.134 0.000 4.204) 5.244 2.224 ( -2.770 0.000 6.553) 7.114 2.252 ( 3.411 0.000 -5.053) 6.097 2.341 ( 7.052 0.000 1.749) 7.266 2.390 ( -3.520 0.000 0.184) 3.525 2.420 ( -4.286 0.000 2.822) 5.131 2.555 ( -1.447 0.000 1.580) 2.143 2.577 ( 3.208 0.000 4.534) 5.554 2.652 ( -3.848 0.000 -0.971) 3.968 2.734 ( -1.480 0.000 2.334) 2.764 2.736 ( -0.120 0.000 2.411) 2.414 2.811 ( 5.308 0.000 3.003) 6.099 2.874 ( 2.104 0.000 2.947) 3.620 2.963 ( 4.070 0.000 10.905) 11.640 2.994 ( 2.966 0.000 2.527) 3.896 3.017 ( 3.496 0.000 5.868) 6.831 3.110 ( 1.662 0.000 2.739) 3.203 3.132 ( -3.411 0.000 5.204) 6.223 3.277 ( -2.500 0.000 -1.296) 2.816 3.317 ( -3.263 0.000 -2.780) 4.287 3.354 ( 3.020 0.000 -0.776) 3.118 3.370 ( -4.806 0.000 1.636) 5.077 3.519 ( 3.371 0.000 -1.078) 3.539 3.572 ( 2.464 0.000 4.488) 5.119 3.695 ( 1.332 0.000 -1.088) 1.719 3.698 ( -4.185 0.000 3.970) 5.768 3.802 ( 2.629 0.000 4.360) 5.092 3.835 ( -8.206 0.000 -4.411) 9.316 3.918 ( 3.578 0.000 2.899) 4.605 3.949 ( 2.905 0.000 -1.733) 3.383 4.007 ( -5.065 0.000 4.763) 6.953 4.305 ( -2.360 0.000 3.731) 4.415 4.428 ( -5.472 0.000 -8.045) 9.730 4.485 ( -0.808 0.000 9.034) 9.070 4.539 ( -1.060 0.000 5.978) 6.071 4.562 ( 2.001 0.000 1.040) 2.255 4.582 ( -0.478 0.000 7.379) 7.394 4.726 ( 4.943 0.000 0.840) 5.014 4.829 ( 1.767 0.000 -8.300) 8.486 4.916 ( 3.204 0.000 -4.228) 5.305 4.970 ( -4.653 0.000 -0.041) 4.653 5.078 ( -4.136 0.000 2.761) 4.973 5.095 ( 3.601 0.000 -2.944) 4.651 5.192 ( 9.844 0.000 2.025) 10.050 5.338 ( -5.268 0.000 2.538) 5.847 5.623 ( -2.620 0.000 6.660) 7.157 5.711 ( 1.717 0.000 -1.366) 2.194 5.716 ( -1.890 0.000 2.019) 2.766 5.780 ( 3.028 0.000 -0.402) 3.055 5.858 ( -4.835 0.000 4.295) 6.468 5.861 ( -0.316 0.000 -1.348) 1.385 5.977 ( -1.605 0.000 0.156) 1.613 6.009 ( 2.311 0.000 -0.525) 2.370 6.328 ( -3.323 0.000 6.470) 7.274 6.379 ( 0.997 0.000 11.853) 11.895 6.777 ( 2.516 0.000 -5.964) 6.473 6.888 ( 2.792 0.000 0.445) 2.828 6.982 ( -1.749 0.000 2.502) 3.053 7.051 ( 2.183 0.000 -6.487) 6.844 7.274 ( -3.098 0.000 2.637) 4.068 7.348 ( 1.814 0.000 -0.765) 1.969 7.349 ( -0.254 0.000 0.672) 0.719 7.478 ( 4.191 0.000 -4.463) 6.122 7.827 ( 0.249 0.000 -12.819) 12.821 7.849 ( 1.299 0.000 -4.941) 5.109 7.962 ( 0.448 0.000 1.875) 1.928 8.116 ( 4.009 0.000 -12.739) 13.355 8.181 ( 0.204 0.000 -0.458) 0.502 8.194 ( -2.961 0.000 -5.749) 6.467 8.292 ( 0.322 0.000 -5.912) 5.921 8.421 ( 1.383 0.000 -6.560) 6.705 8.736 ( -0.469 0.000 -3.184) 3.218 8.744 ( -1.535 0.000 -0.478) 1.608 9.359 ( 1.980 0.000 -1.995) 2.811 9.568 ( -0.489 0.000 -7.654) 7.669 9.740 ( -1.842 0.000 2.239) 2.899 9.888 ( 0.886 0.000 -5.840) 5.907 10.193 ( -1.656 0.000 5.831) 6.061 10.404 ( -0.519 0.000 -4.571) 4.600 10.838 ( 1.559 0.000 -4.534) 4.795 10.933 ( 2.423 0.000 -9.199) 9.513 10.998 ( -2.783 0.000 11.614) 11.943 11.115 ( 2.962 0.000 0.240) 2.972 11.318 ( 6.522 0.000 -7.601) 10.016 11.397 ( -6.353 0.000 -1.732) 6.585 11.541 ( 8.239 0.000 -10.295) 13.186 11.599 ( -9.706 0.000 1.956) 9.902 11.865 ( -2.757 0.000 5.974) 6.579 11.973 ( 1.559 0.000 1.744) 2.339 12.131 ( 1.062 0.000 -0.705) 1.274 12.140 ( -0.072 0.000 2.581) 2.582 12.412 ( -0.808 0.000 1.579) 1.774 12.494 ( 1.069 0.000 -1.295) 1.679 12.616 ( 2.025 0.000 0.559) 2.101 12.778 ( -0.699 0.000 -2.210) 2.318 12.782 ( 1.406 0.000 1.479) 2.041 12.804 ( 0.076 0.000 -1.786) 1.787 12.983 ( -0.319 0.000 1.203) 1.244 13.267 ( 1.788 0.000 -8.953) 9.130 13.312 ( -3.866 0.000 2.311) 4.504 13.364 ( 1.385 0.000 -4.887) 5.080 13.851 ( -3.148 0.000 6.679) 7.384 13.971 ( -0.926 0.000 -1.413) 1.690 14.020 ( -1.893 0.000 5.960) 6.253 14.231 ( -0.219 0.000 -3.178) 3.185 14.580 ( 1.639 0.000 2.915) 3.344 14.609 ( -0.221 0.000 1.804) 1.817 14.701 ( 0.530 0.000 4.051) 4.086 14.759 ( 3.677 0.000 0.668) 3.737 21.433 ( 0.115 0.000 1.731) 1.735 21.479 ( 1.232 0.000 -0.516) 1.336 21.734 ( -1.396 0.000 -2.437) 2.809 21.779 ( -0.513 0.000 -1.597) 1.677 21.910 ( 1.348 0.000 -6.857) 6.988 21.941 ( -2.802 0.000 -0.279) 2.816 22.191 ( 4.052 0.000 0.195) 4.057 22.364 ( -0.038 0.000 -6.489) 6.489 22.515 ( 4.378 0.000 -0.647) 4.425 22.618 ( 0.685 0.000 -0.495) 0.845 22.693 ( 1.811 0.000 0.143) 1.816 22.748 ( 4.890 0.000 0.862) 4.965 22.776 ( 4.051 0.000 -2.963) 5.019 22.850 ( 4.667 0.000 -3.287) 5.708 23.100 ( -8.188 0.000 2.231) 8.486 23.132 ( -2.186 0.000 2.298) 3.171 23.172 ( -2.527 0.000 -3.245) 4.113 23.302 ( -2.430 0.000 -4.555) 5.163 23.639 ( 2.575 0.000 2.746) 3.765 23.686 ( -4.602 0.000 4.859) 6.692 23.956 ( -1.690 0.000 8.817) 8.978 24.012 ( -0.480 0.000 5.328) 5.349 24.126 ( 3.137 0.000 -0.516) 3.179 24.377 ( -5.723 0.000 -7.066) 9.093 24.397 ( 0.688 0.000 8.650) 8.678 24.404 ( 0.171 0.000 3.190) 3.195 24.486 ( -2.584 0.000 6.728) 7.207 24.658 ( 0.996 0.000 -3.921) 4.045 24.841 ( -0.148 0.000 1.970) 1.976 24.901 ( 0.009 0.000 0.457) 0.457 24.962 ( 0.881 0.000 0.925) 1.277 25.091 ( -0.908 0.000 -4.697) 4.784 ======================= Grid point 78 (43/63) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -5.710 0.000 5.746) 8.100 1.161 ( -4.273 0.000 -0.883) 4.364 1.215 ( -2.297 0.000 6.297) 6.703 1.350 ( 3.531 0.000 6.205) 7.140 1.485 ( 3.376 0.000 -1.536) 3.709 1.487 ( 3.454 0.000 -1.763) 3.878 1.615 ( -1.162 0.000 5.849) 5.963 1.731 ( -1.035 0.000 -0.640) 1.217 1.776 ( -5.612 0.000 -2.467) 6.130 1.818 ( -2.970 0.000 5.282) 6.059 1.867 ( -1.330 0.000 6.032) 6.177 1.894 ( -3.208 0.000 -2.496) 4.064 1.984 ( 1.727 0.000 5.605) 5.865 2.021 ( -7.212 0.000 -0.382) 7.222 2.104 ( -0.447 0.000 5.201) 5.220 2.108 ( 1.411 0.000 0.537) 1.510 2.289 ( 5.258 0.000 7.298) 8.995 2.308 ( 0.686 0.000 -1.447) 1.602 2.352 ( 0.138 0.000 -0.893) 0.904 2.390 ( -0.012 0.000 2.802) 2.802 2.459 ( 0.664 0.000 4.674) 4.720 2.530 ( -4.345 0.000 3.756) 5.743 2.577 ( 3.272 0.000 4.467) 5.537 2.596 ( -1.757 0.000 -1.558) 2.348 2.735 ( -0.224 0.000 4.194) 4.200 2.750 ( 1.519 0.000 0.223) 1.535 2.842 ( -6.867 0.000 3.644) 7.774 2.923 ( 1.217 0.000 -0.205) 1.234 2.986 ( 0.537 0.000 10.253) 10.267 3.029 ( 0.748 0.000 3.044) 3.135 3.084 ( -0.233 0.000 3.700) 3.707 3.195 ( -0.612 0.000 0.074) 0.616 3.201 ( -3.595 0.000 4.064) 5.425 3.209 ( 4.295 0.000 -2.803) 5.129 3.232 ( 0.102 0.000 2.844) 2.846 3.356 ( 1.393 0.000 -5.822) 5.986 3.359 ( 3.366 0.000 4.063) 5.276 3.518 ( -6.886 0.000 -2.999) 7.511 3.581 ( -2.590 0.000 1.094) 2.812 3.684 ( 0.348 0.000 4.831) 4.844 3.715 ( 3.452 0.000 7.348) 8.118 3.729 ( 2.047 0.000 -4.562) 5.000 3.876 ( 1.648 0.000 2.881) 3.320 3.949 ( -0.345 0.000 1.532) 1.571 3.973 ( 1.450 0.000 -2.292) 2.712 4.076 ( 4.471 0.000 7.389) 8.636 4.279 ( -4.864 0.000 -7.799) 9.191 4.289 ( 0.311 0.000 -0.137) 0.340 4.433 ( -3.653 0.000 7.599) 8.431 4.539 ( -3.585 0.000 5.977) 6.970 4.575 ( -2.227 0.000 5.051) 5.520 4.578 ( 4.225 0.000 0.912) 4.323 4.726 ( -9.404 0.000 3.129) 9.911 4.771 ( -3.657 0.000 2.722) 4.558 4.940 ( 1.436 0.000 -5.763) 5.940 4.968 ( 0.477 0.000 -0.576) 0.747 5.062 ( 2.565 0.000 -3.274) 4.159 5.173 ( 2.800 0.000 -1.012) 2.977 5.267 ( 0.703 0.000 -0.684) 0.981 5.390 ( 7.039 0.000 0.982) 7.107 5.565 ( -3.145 0.000 7.301) 7.950 5.638 ( -4.955 0.000 1.701) 5.239 5.648 ( -8.648 0.000 5.481) 10.239 5.791 ( 0.728 0.000 -1.742) 1.888 5.808 ( -0.025 0.000 1.915) 1.915 5.862 ( -0.220 0.000 0.659) 0.695 5.960 ( -1.551 0.000 3.412) 3.748 6.032 ( 0.307 0.000 -3.020) 3.035 6.332 ( 1.766 0.000 4.981) 5.284 6.454 ( 1.651 0.000 11.054) 11.177 6.818 ( 2.152 0.000 -5.613) 6.012 6.936 ( 1.399 0.000 -2.678) 3.021 6.943 ( -1.091 0.000 -0.245) 1.118 7.083 ( 1.981 0.000 -3.330) 3.875 7.225 ( -2.386 0.000 3.064) 3.883 7.346 ( 0.195 0.000 0.605) 0.636 7.358 ( -1.424 0.000 0.250) 1.445 7.508 ( 0.848 0.000 -8.659) 8.700 7.847 ( 0.247 0.000 -7.225) 7.230 7.854 ( 4.355 0.000 -8.502) 9.553 7.988 ( 1.481 0.000 2.896) 3.253 8.110 ( -0.828 0.000 -12.598) 12.626 8.173 ( -0.438 0.000 -3.516) 3.543 8.181 ( 3.323 0.000 -3.718) 4.987 8.274 ( -0.093 0.000 -5.587) 5.588 8.414 ( 0.092 0.000 -6.987) 6.988 8.708 ( -1.291 0.000 -0.359) 1.340 8.745 ( 1.886 0.000 -1.875) 2.660 9.395 ( 1.225 0.000 -0.778) 1.451 9.524 ( -0.551 0.000 -8.374) 8.392 9.720 ( -0.421 0.000 2.262) 2.300 9.910 ( 2.388 0.000 -5.840) 6.309 10.187 ( -0.523 0.000 5.879) 5.903 10.402 ( 1.610 0.000 -4.286) 4.578 10.829 ( -0.562 0.000 -4.908) 4.940 10.916 ( -2.378 0.000 1.099) 2.620 10.999 ( 0.792 0.000 1.194) 1.433 11.180 ( 2.373 0.000 0.567) 2.439 11.237 ( -5.632 0.000 -5.910) 8.164 11.351 ( -7.332 0.000 -1.555) 7.495 11.512 ( 7.254 0.000 -5.034) 8.830 11.709 ( 7.290 0.000 -4.100) 8.364 11.854 ( 0.226 0.000 4.195) 4.201 12.025 ( 2.504 0.000 2.052) 3.238 12.139 ( -0.143 0.000 -0.754) 0.768 12.141 ( 0.045 0.000 1.145) 1.146 12.353 ( -4.750 0.000 2.395) 5.320 12.470 ( -1.974 0.000 1.152) 2.286 12.709 ( 4.667 0.000 -1.103) 4.796 12.771 ( 0.584 0.000 -2.527) 2.593 12.819 ( 1.999 0.000 -3.234) 3.802 12.833 ( 2.693 0.000 -0.654) 2.771 12.975 ( -0.852 0.000 2.408) 2.554 13.167 ( -8.701 0.000 4.491) 9.792 13.210 ( -2.857 0.000 -7.931) 8.430 13.398 ( 1.608 0.000 -2.455) 2.935 13.887 ( 4.170 0.000 4.552) 6.173 14.015 ( 4.851 0.000 -2.718) 5.560 14.028 ( 0.521 0.000 6.654) 6.674 14.222 ( 0.871 0.000 -4.078) 4.170 14.595 ( -1.361 0.000 1.777) 2.238 14.608 ( 0.063 0.000 2.400) 2.400 14.681 ( -3.535 0.000 4.228) 5.511 14.785 ( -1.657 0.000 -0.339) 1.691 21.439 ( -0.100 0.000 1.452) 1.455 21.505 ( 1.047 0.000 -0.872) 1.363 21.697 ( -1.216 0.000 -0.585) 1.349 21.761 ( -0.459 0.000 -2.352) 2.397 21.880 ( -1.892 0.000 -2.198) 2.900 21.961 ( 4.914 0.000 -4.006) 6.340 22.238 ( 0.386 0.000 -0.551) 0.673 22.313 ( -2.619 0.000 -5.394) 5.996 22.585 ( 0.002 0.000 0.620) 0.620 22.595 ( -3.049 0.000 -2.882) 4.196 22.724 ( -0.196 0.000 0.156) 0.250 22.738 ( -5.165 0.000 -3.848) 6.441 22.797 ( -1.156 0.000 -0.440) 1.237 22.870 ( -1.379 0.000 -4.473) 4.681 23.045 ( 4.415 0.000 2.782) 5.218 23.134 ( 2.457 0.000 3.271) 4.091 23.203 ( 5.382 0.000 -2.819) 6.076 23.257 ( -0.079 0.000 -4.068) 4.069 23.605 ( -3.460 0.000 3.764) 5.113 23.743 ( 4.872 0.000 2.804) 5.621 23.943 ( -1.123 0.000 8.080) 8.158 24.051 ( 1.341 0.000 6.047) 6.194 24.216 ( 1.466 0.000 -3.159) 3.482 24.245 ( -0.614 0.000 -5.133) 5.170 24.337 ( -5.953 0.000 9.589) 11.286 24.454 ( 2.883 0.000 6.871) 7.451 24.502 ( -0.124 0.000 5.415) 5.417 24.645 ( 0.072 0.000 -5.015) 5.015 24.823 ( -1.753 0.000 2.351) 2.933 24.922 ( 1.490 0.000 -0.171) 1.500 25.002 ( 1.927 0.000 1.702) 2.571 25.042 ( -2.120 0.000 -5.316) 5.723 ======================= Grid point 79 (44/63) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -2.450 0.000 10.831) 11.104 1.075 ( -2.438 0.000 11.897) 12.144 1.203 ( 0.117 0.000 5.074) 5.075 1.455 ( 3.191 0.000 2.984) 4.369 1.511 ( -8.071 0.000 -1.430) 8.197 1.533 ( -0.704 0.000 -3.522) 3.592 1.546 ( 1.658 0.000 -1.784) 2.436 1.599 ( -3.107 0.000 3.227) 4.480 1.745 ( -0.070 0.000 -1.792) 1.794 1.751 ( -3.469 0.000 -3.843) 5.177 1.864 ( -1.325 0.000 -0.209) 1.341 1.881 ( -0.677 0.000 6.747) 6.781 1.952 ( 3.483 0.000 2.597) 4.345 2.027 ( -0.270 0.000 6.102) 6.108 2.075 ( -1.829 0.000 1.453) 2.336 2.146 ( -0.446 0.000 0.252) 0.512 2.328 ( -0.763 0.000 1.568) 1.743 2.334 ( -0.504 0.000 5.817) 5.839 2.351 ( 0.159 0.000 2.076) 2.082 2.426 ( -6.850 0.000 6.976) 9.777 2.435 ( 3.351 0.000 1.060) 3.515 2.541 ( 3.935 0.000 4.363) 5.876 2.573 ( 1.101 0.000 2.166) 2.430 2.630 ( -0.549 0.000 4.827) 4.858 2.706 ( -1.516 0.000 1.496) 2.130 2.720 ( -4.228 0.000 -1.583) 4.515 2.772 ( -1.070 0.000 7.680) 7.754 2.880 ( -4.472 0.000 -2.268) 5.014 2.999 ( -2.094 0.000 7.932) 8.204 3.077 ( -1.496 0.000 3.812) 4.095 3.116 ( 0.487 0.000 3.312) 3.348 3.118 ( 5.254 0.000 0.108) 5.255 3.218 ( -0.308 0.000 7.414) 7.420 3.226 ( -1.589 0.000 6.088) 6.292 3.283 ( -6.418 0.000 -1.640) 6.624 3.352 ( 8.485 0.000 -5.330) 10.020 3.398 ( -2.487 0.000 -1.274) 2.794 3.478 ( 2.188 0.000 -1.694) 2.767 3.516 ( -0.127 0.000 1.125) 1.132 3.600 ( -5.317 0.000 -1.703) 5.583 3.793 ( 0.957 0.000 -1.228) 1.557 3.798 ( 0.841 0.000 4.415) 4.494 3.955 ( 4.269 0.000 0.631) 4.316 3.995 ( 4.346 0.000 -2.127) 4.838 4.007 ( 0.237 0.000 -1.979) 1.994 4.108 ( -1.887 0.000 8.144) 8.359 4.196 ( -0.678 0.000 -0.840) 1.079 4.264 ( -3.602 0.000 2.971) 4.669 4.350 ( -5.757 0.000 2.809) 6.406 4.496 ( -2.295 0.000 1.120) 2.554 4.516 ( -1.881 0.000 4.900) 5.248 4.622 ( -0.636 0.000 7.931) 7.956 4.644 ( -5.615 0.000 3.622) 6.682 4.767 ( 11.013 0.000 -1.440) 11.107 4.927 ( -3.685 0.000 0.492) 3.718 4.932 ( -0.550 0.000 -2.980) 3.031 5.106 ( 1.802 0.000 -4.976) 5.292 5.194 ( -1.208 0.000 1.100) 1.634 5.276 ( -0.955 0.000 -4.444) 4.546 5.436 ( -2.005 0.000 -3.093) 3.685 5.506 ( -4.914 0.000 5.196) 7.151 5.570 ( -0.532 0.000 -0.615) 0.814 5.618 ( 4.873 0.000 9.199) 10.410 5.807 ( 1.189 0.000 -2.898) 3.132 5.820 ( -2.770 0.000 2.616) 3.810 5.843 ( 1.365 0.000 4.194) 4.411 5.931 ( -1.836 0.000 5.454) 5.755 6.007 ( -1.808 0.000 -2.305) 2.929 6.409 ( 3.435 0.000 3.673) 5.029 6.478 ( -3.115 0.000 11.908) 12.309 6.809 ( -1.453 0.000 -0.343) 1.493 6.922 ( -1.936 0.000 -2.584) 3.229 6.965 ( 2.411 0.000 -3.323) 4.106 7.092 ( -0.755 0.000 -1.099) 1.333 7.207 ( 1.196 0.000 0.263) 1.225 7.306 ( -2.271 0.000 -1.106) 2.526 7.360 ( 0.531 0.000 0.493) 0.724 7.483 ( -0.512 0.000 -9.417) 9.431 7.821 ( -0.059 0.000 -8.622) 8.622 7.911 ( 2.408 0.000 -4.257) 4.891 8.046 ( 2.316 0.000 4.652) 5.197 8.080 ( 1.342 0.000 -11.039) 11.121 8.135 ( -1.132 0.000 -9.633) 9.699 8.238 ( 2.923 0.000 -3.294) 4.404 8.260 ( 0.509 0.000 -5.030) 5.055 8.390 ( -0.046 0.000 -7.586) 7.586 8.700 ( 0.629 0.000 0.578) 0.855 8.788 ( 2.104 0.000 -1.573) 2.627 9.395 ( -1.124 0.000 0.860) 1.415 9.509 ( 1.531 0.000 -7.892) 8.039 9.737 ( 1.007 0.000 2.641) 2.826 9.939 ( 1.736 0.000 -5.736) 5.992 10.205 ( 0.221 0.000 6.519) 6.523 10.440 ( 2.865 0.000 -4.380) 5.234 10.798 ( -0.662 0.000 -5.327) 5.368 10.882 ( -0.677 0.000 1.712) 1.841 10.995 ( -1.564 0.000 -0.690) 1.709 11.138 ( -6.538 0.000 0.345) 6.548 11.161 ( 1.106 0.000 -7.537) 7.618 11.253 ( 0.516 0.000 -2.971) 3.016 11.683 ( 8.317 0.000 -3.869) 9.173 11.769 ( -1.144 0.000 2.796) 3.021 11.913 ( 3.370 0.000 1.471) 3.676 12.054 ( -1.814 0.000 3.167) 3.650 12.149 ( 1.611 0.000 0.147) 1.617 12.171 ( 3.083 0.000 -1.102) 3.274 12.253 ( -3.550 0.000 0.040) 3.551 12.427 ( -2.298 0.000 -2.630) 3.492 12.761 ( -0.703 0.000 1.713) 1.852 12.786 ( 1.213 0.000 -1.499) 1.928 12.826 ( -3.696 0.000 -0.792) 3.780 12.858 ( 2.174 0.000 -3.655) 4.253 12.974 ( 0.006 0.000 2.799) 2.799 13.073 ( 0.786 0.000 3.259) 3.352 13.141 ( -1.078 0.000 -6.013) 6.109 13.395 ( -0.681 0.000 -5.057) 5.102 14.038 ( 7.736 0.000 3.664) 8.560 14.065 ( 0.747 0.000 7.149) 7.188 14.122 ( 4.795 0.000 -1.101) 4.920 14.251 ( 2.432 0.000 -2.807) 3.714 14.569 ( -1.729 0.000 1.312) 2.170 14.592 ( -4.513 0.000 3.608) 5.778 14.595 ( -2.125 0.000 2.471) 3.259 14.680 ( -7.622 0.000 0.111) 7.623 21.436 ( -0.464 0.000 0.780) 0.908 21.505 ( -0.691 0.000 -1.846) 1.971 21.699 ( 1.348 0.000 2.821) 3.127 21.758 ( 0.938 0.000 -1.247) 1.560 21.849 ( -0.298 0.000 -3.148) 3.162 22.086 ( 7.199 0.000 -2.866) 7.749 22.220 ( -1.646 0.000 -0.208) 1.659 22.221 ( -4.409 0.000 -6.493) 7.849 22.449 ( -6.764 0.000 -4.825) 8.309 22.523 ( -3.564 0.000 -1.124) 3.737 22.666 ( -0.841 0.000 -0.387) 0.926 22.698 ( -2.927 0.000 0.076) 2.928 22.737 ( -2.067 0.000 -3.516) 4.078 22.789 ( -3.765 0.000 -6.148) 7.209 23.187 ( 4.513 0.000 2.400) 5.111 23.232 ( 4.343 0.000 2.316) 4.922 23.261 ( 0.880 0.000 -2.405) 2.561 23.303 ( 3.616 0.000 -1.174) 3.802 23.614 ( 4.188 0.000 4.141) 5.890 23.829 ( 1.470 0.000 3.380) 3.686 23.957 ( -0.154 0.000 6.578) 6.580 24.085 ( -0.306 0.000 8.101) 8.107 24.125 ( -3.272 0.000 -2.150) 3.915 24.250 ( -4.805 0.000 9.803) 10.917 24.327 ( 3.121 0.000 -2.234) 3.838 24.494 ( -1.673 0.000 6.808) 7.011 24.510 ( 1.305 0.000 -6.142) 6.279 24.725 ( 7.933 0.000 -0.609) 7.957 24.796 ( -1.283 0.000 3.063) 3.320 24.950 ( 1.258 0.000 -0.238) 1.281 24.968 ( -2.930 0.000 -4.879) 5.692 25.034 ( 0.171 0.000 2.114) 2.120 ======================= Grid point 80 (45/63) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -0.494 3.535 11.975) 12.496 1.210 ( 2.077 3.215 12.556) 13.126 1.271 ( -3.020 -3.597 -0.889) 4.780 1.341 ( 3.182 4.045 5.059) 7.217 1.450 ( -4.150 0.934 -4.384) 6.108 1.480 ( -2.452 0.639 0.798) 2.657 1.523 ( -2.990 -3.678 5.051) 6.926 1.584 ( 2.370 -0.852 -0.310) 2.538 1.719 ( -2.265 -2.304 0.253) 3.241 1.788 ( 2.598 3.655 -3.931) 5.963 1.833 ( 0.771 -2.528 0.724) 2.740 1.861 ( 3.313 -5.388 0.870) 6.384 1.938 ( -0.118 -0.849 6.591) 6.646 1.995 ( 0.533 -0.428 3.190) 3.262 2.061 ( -1.177 0.805 2.368) 2.764 2.147 ( 2.054 -4.703 -1.337) 5.303 2.224 ( -0.480 2.509 0.092) 2.556 2.337 ( -1.322 -1.364 -0.537) 1.973 2.466 ( -2.227 1.689 4.370) 5.187 2.482 ( 1.265 5.072 4.806) 7.101 2.494 ( 3.865 2.441 2.584) 5.251 2.506 ( -4.277 0.363 2.654) 5.046 2.583 ( -2.521 2.304 5.124) 6.158 2.627 ( -1.071 1.016 8.138) 8.271 2.726 ( -1.096 2.474 -0.910) 2.855 2.767 ( 0.318 3.605 2.337) 4.308 2.803 ( -0.345 -2.289 4.997) 5.507 2.846 ( -0.667 3.602 1.659) 4.021 2.901 ( -5.328 0.453 9.432) 10.842 2.979 ( -2.348 -5.400 4.379) 7.338 3.020 ( -2.191 -3.965 7.305) 8.596 3.109 ( -0.275 0.565 3.572) 3.627 3.179 ( -0.972 -2.043 1.467) 2.696 3.219 ( 1.684 -1.241 6.150) 6.496 3.332 ( 1.087 -4.149 -3.796) 5.727 3.390 ( 2.161 -0.869 -3.044) 3.833 3.424 ( 0.655 -2.968 -4.152) 5.145 3.458 ( 1.151 -0.981 -2.139) 2.620 3.483 ( -2.606 1.035 0.041) 2.805 3.559 ( -3.521 3.475 -4.228) 6.507 3.768 ( -2.167 -0.191 4.252) 4.776 3.860 ( 2.017 3.044 -0.107) 3.653 3.941 ( 1.096 -0.261 2.959) 3.166 3.974 ( -4.162 0.519 4.735) 6.325 4.028 ( -0.877 0.810 1.350) 1.802 4.161 ( -0.949 -0.376 5.403) 5.499 4.223 ( 2.260 -2.336 3.348) 4.666 4.306 ( -0.601 -0.113 2.076) 2.164 4.347 ( 5.943 4.019 -0.436) 7.188 4.402 ( -0.102 -0.929 -3.773) 3.887 4.527 ( 2.113 1.600 5.609) 6.204 4.601 ( 3.327 -2.281 1.342) 4.251 4.697 ( 0.034 1.802 5.549) 5.834 4.790 ( -2.998 -0.719 0.065) 3.084 4.886 ( 1.585 -4.788 -1.198) 5.184 4.951 ( -1.381 2.277 -4.184) 4.960 5.079 ( -3.332 -1.382 -1.284) 3.829 5.126 ( -1.736 -4.384 -3.614) 5.941 5.280 ( 3.129 3.519 0.250) 4.716 5.348 ( -2.931 0.094 -0.389) 2.958 5.509 ( 0.627 1.991 1.018) 2.322 5.602 ( 2.299 0.228 -0.719) 2.420 5.663 ( 0.243 -2.810 3.174) 4.246 5.723 ( -1.274 -3.774 0.528) 4.018 5.822 ( 2.129 -1.245 3.641) 4.397 5.891 ( -1.406 -0.929 1.888) 2.531 5.966 ( 1.721 1.601 2.408) 3.365 6.000 ( -0.203 3.393 1.806) 3.849 6.432 ( -4.303 1.511 11.563) 12.430 6.482 ( -0.333 0.437 5.102) 5.132 6.775 ( -1.203 1.827 1.055) 2.429 6.905 ( 0.707 1.386 -1.162) 1.941 7.042 ( -0.438 3.097 -1.108) 3.318 7.079 ( -1.603 4.624 -2.473) 5.484 7.249 ( 1.606 -2.939 2.088) 3.946 7.258 ( -1.557 -1.483 0.295) 2.170 7.355 ( 1.378 -0.913 -3.133) 3.543 7.396 ( -1.924 -3.053 -6.257) 7.222 7.817 ( 2.082 1.574 -7.088) 7.553 7.929 ( 1.615 -1.289 -6.644) 6.958 8.015 ( -2.161 0.039 -3.676) 4.264 8.074 ( 0.220 -0.959 -9.172) 9.225 8.155 ( 2.228 2.171 -4.213) 5.237 8.258 ( 2.543 -0.855 -5.400) 6.030 8.306 ( 0.952 1.306 -3.650) 3.992 8.356 ( 0.188 -1.477 -6.080) 6.260 8.742 ( 1.293 0.887 -0.200) 1.580 8.795 ( 0.058 -1.050 -2.708) 2.905 9.410 ( -0.727 4.020 0.440) 4.109 9.536 ( 2.223 -0.398 -4.949) 5.440 9.786 ( 0.525 2.250 1.514) 2.763 9.928 ( 0.030 -1.782 -4.662) 4.991 10.223 ( -0.192 0.693 4.254) 4.314 10.402 ( 0.598 -6.052 -3.780) 7.161 10.799 ( 0.695 2.826 -3.729) 4.731 10.919 ( -1.084 -0.986 -6.677) 6.835 10.978 ( 1.559 3.844 5.118) 6.588 11.072 ( -0.268 2.223 -2.285) 3.200 11.182 ( 3.596 -3.007 -7.875) 9.164 11.206 ( 1.734 -3.860 -2.187) 4.763 11.730 ( -4.725 1.389 1.985) 5.310 11.815 ( 2.574 -0.376 -1.915) 3.230 11.884 ( -0.826 -3.786 4.994) 6.321 11.969 ( -1.282 -3.633 1.221) 4.041 12.163 ( -4.094 3.382 1.993) 5.672 12.229 ( -3.851 0.734 -0.214) 3.926 12.296 ( 5.007 1.124 -2.499) 5.708 12.362 ( 2.127 -0.602 -6.318) 6.694 12.718 ( -3.283 2.546 3.300) 5.306 12.787 ( -1.055 0.208 1.335) 1.714 12.812 ( 1.097 0.982 -0.337) 1.511 12.865 ( -0.152 -0.828 -1.924) 2.100 12.976 ( 0.043 -0.175 1.805) 1.814 13.069 ( 4.027 -3.764 -0.778) 5.567 13.230 ( 2.839 3.315 -4.063) 5.963 13.339 ( 1.072 -2.029 -8.641) 8.941 14.087 ( -2.696 2.173 5.893) 6.835 14.180 ( -1.088 -1.250 2.992) 3.420 14.198 ( 1.125 0.295 1.679) 2.042 14.234 ( -1.445 -0.864 -0.082) 1.686 14.491 ( -4.261 1.363 4.760) 6.533 14.548 ( 0.917 -0.212 1.590) 1.847 14.574 ( 0.569 -0.042 1.530) 1.633 14.580 ( 0.358 -0.897 2.124) 2.333 21.447 ( -0.184 1.809 1.058) 2.104 21.502 ( -0.918 1.200 -1.252) 1.962 21.715 ( 0.414 -1.087 0.027) 1.164 21.803 ( -0.363 -2.785 -3.947) 4.845 21.870 ( 2.544 4.178 1.124) 5.019 22.041 ( -2.575 -2.783 -6.843) 7.823 22.203 ( -0.063 2.185 -1.663) 2.746 22.236 ( 3.135 1.093 -3.325) 4.699 22.429 ( 4.853 0.657 -1.466) 5.112 22.465 ( -0.059 -0.398 -2.891) 2.919 22.594 ( -2.268 -1.221 -2.902) 3.881 22.630 ( -2.477 -2.980 -4.943) 6.281 22.711 ( 0.425 3.128 1.154) 3.361 22.771 ( -0.381 1.834 -1.924) 2.685 23.230 ( -0.561 1.261 1.403) 1.968 23.279 ( 0.660 0.592 0.129) 0.896 23.298 ( 0.072 0.172 -0.074) 0.200 23.346 ( 0.730 -0.343 -1.429) 1.641 23.700 ( 1.009 -3.236 4.872) 5.935 23.741 ( -0.897 -4.473 3.051) 5.489 24.006 ( -2.439 2.733 4.091) 5.491 24.059 ( -0.834 1.375 4.567) 4.842 24.103 ( -4.344 -1.688 8.424) 9.628 24.205 ( -0.222 -0.730 5.692) 5.743 24.372 ( 2.415 1.807 -0.477) 3.054 24.485 ( 2.065 -1.506 -6.223) 6.727 24.577 ( 0.741 4.178 5.396) 6.864 24.750 ( -2.517 -1.819 -2.785) 4.171 24.819 ( 0.046 2.096 1.848) 2.795 24.925 ( -0.990 -1.029 -2.024) 2.476 24.977 ( 2.452 -1.779 1.163) 3.245 25.018 ( 0.307 -1.127 -0.300) 1.206 ======================= Grid point 81 (46/63) ======================= q-point: ( 0.20 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.662 -0.451 6.809) 6.856 1.222 ( 2.551 1.137 4.986) 5.715 1.304 ( -2.537 0.539 3.706) 4.524 1.366 ( -1.197 2.028 3.890) 4.547 1.387 ( -1.444 0.303 1.759) 2.296 1.515 ( 0.444 -4.845 7.653) 9.068 1.543 ( 7.811 4.356 -0.943) 8.993 1.632 ( 2.293 4.532 1.420) 5.273 1.735 ( 2.902 0.768 -0.073) 3.003 1.829 ( 2.302 1.105 0.123) 2.556 1.886 ( -2.656 0.123 -0.005) 2.659 1.927 ( 1.747 -2.586 3.334) 4.566 1.978 ( 3.166 -3.784 1.152) 5.066 1.996 ( 1.642 -2.180 2.702) 3.841 2.104 ( 4.814 -0.381 -0.519) 4.857 2.179 ( 3.256 -0.954 -2.689) 4.329 2.236 ( -1.656 -2.495 3.043) 4.270 2.286 ( -4.666 -2.723 -0.183) 5.406 2.325 ( -4.283 0.812 3.981) 5.904 2.376 ( -2.986 -0.748 1.864) 3.599 2.500 ( -4.422 3.706 8.371) 10.166 2.561 ( -1.286 4.938 0.244) 5.108 2.590 ( -0.848 3.810 3.746) 5.410 2.637 ( 0.064 0.706 6.055) 6.096 2.734 ( -0.294 -1.384 -1.166) 1.833 2.763 ( 0.468 1.636 5.398) 5.660 2.801 ( -1.680 -1.793 2.593) 3.572 2.823 ( -0.751 1.221 7.277) 7.416 2.860 ( 0.635 0.792 2.061) 2.297 2.969 ( 1.335 -2.834 9.033) 9.560 3.040 ( -0.212 2.999 0.749) 3.098 3.082 ( -5.421 -2.077 5.690) 8.129 3.145 ( -0.292 -2.946 3.042) 4.245 3.259 ( -1.063 -0.770 1.421) 1.935 3.317 ( -0.470 -2.614 -3.136) 4.110 3.340 ( -2.674 -5.110 0.910) 5.839 3.380 ( -4.232 0.629 0.536) 4.312 3.450 ( 0.865 -3.546 -3.421) 5.003 3.531 ( 4.179 2.129 1.821) 5.031 3.559 ( 7.652 0.934 -4.327) 8.840 3.767 ( -0.518 -0.385 2.842) 2.914 3.853 ( -2.903 3.207 3.166) 5.360 3.938 ( -2.355 1.848 -0.090) 2.995 3.968 ( -3.345 -2.935 4.107) 6.056 3.998 ( 2.804 3.359 2.323) 4.954 4.147 ( -4.114 8.292 3.996) 10.083 4.287 ( 2.213 -3.286 4.018) 5.643 4.377 ( 6.079 -1.756 3.363) 7.166 4.443 ( 2.962 3.628 0.309) 4.694 4.473 ( 4.895 -1.081 -1.413) 5.208 4.586 ( 1.455 3.970 0.723) 4.290 4.636 ( -4.514 2.054 5.045) 7.074 4.739 ( 6.280 -1.639 -0.599) 6.518 4.787 ( 2.485 -0.170 -1.345) 2.831 4.859 ( 1.676 -5.313 -2.653) 6.170 4.940 ( -6.217 -6.801 -0.358) 9.222 4.984 ( -0.093 2.227 -1.199) 2.531 5.043 ( -2.013 -3.940 -2.623) 5.143 5.243 ( -6.531 3.013 1.095) 7.276 5.387 ( 2.897 0.647 -1.172) 3.192 5.534 ( 0.078 -1.895 6.049) 6.339 5.660 ( 3.973 -0.140 -3.142) 5.067 5.690 ( 3.203 -1.570 -3.089) 4.719 5.707 ( -0.352 -2.691 2.789) 3.891 5.869 ( 1.136 -2.487 3.172) 4.188 5.915 ( 1.348 2.205 4.292) 5.010 5.956 ( -1.356 0.645 1.056) 1.836 6.014 ( -0.784 0.783 0.493) 1.213 6.380 ( -3.540 1.785 12.124) 12.756 6.439 ( -4.776 0.667 7.237) 8.697 6.796 ( 2.493 4.314 -1.919) 5.339 6.934 ( 1.944 5.212 0.093) 5.564 7.015 ( -1.415 0.057 -2.806) 3.143 7.045 ( -0.640 4.502 -0.674) 4.597 7.230 ( 0.429 -5.471 -0.972) 5.573 7.289 ( -0.002 -2.416 3.336) 4.119 7.349 ( -0.903 -1.951 -1.429) 2.581 7.371 ( 1.713 -2.819 -4.983) 5.976 7.845 ( 1.685 1.582 -5.782) 6.227 7.897 ( -1.830 -0.679 -11.108) 11.279 7.981 ( 0.665 2.373 -2.370) 3.419 8.071 ( 2.144 -1.207 -8.976) 9.307 8.183 ( 1.261 1.777 -1.910) 2.898 8.283 ( -1.499 1.255 -6.155) 6.458 8.295 ( 1.850 0.092 -5.765) 6.055 8.361 ( 1.929 -3.084 -4.939) 6.134 8.757 ( -0.085 -0.148 -0.665) 0.686 8.771 ( -0.981 -0.404 -3.084) 3.261 9.403 ( 0.297 5.309 -1.162) 5.443 9.570 ( 1.926 -0.769 -5.284) 5.676 9.786 ( -1.016 1.873 1.243) 2.467 9.901 ( -0.905 -1.376 -4.762) 5.039 10.218 ( -1.383 0.865 4.156) 4.465 10.385 ( -0.798 -5.360 -3.880) 6.665 10.790 ( 0.262 0.806 -3.604) 3.702 10.897 ( 0.337 -2.285 -6.173) 6.591 11.029 ( 1.149 3.123 4.134) 5.307 11.090 ( 1.792 2.476 0.208) 3.064 11.230 ( 4.621 -1.265 -7.153) 8.609 11.320 ( 8.313 -1.797 -6.381) 10.632 11.604 ( -6.865 0.683 -1.277) 7.016 11.735 ( -7.592 -4.357 2.662) 9.149 11.938 ( -0.204 -0.052 3.673) 3.679 11.941 ( 0.115 -0.084 4.051) 4.053 12.112 ( -0.852 0.209 0.043) 0.878 12.130 ( -2.516 -0.342 0.846) 2.677 12.369 ( 2.034 -0.144 -0.909) 2.233 12.417 ( 3.105 -1.175 -4.825) 5.857 12.682 ( -1.154 4.334 2.091) 4.948 12.776 ( -0.074 0.854 1.007) 1.322 12.831 ( 0.441 1.437 -0.577) 1.610 12.835 ( -1.513 0.008 -1.408) 2.067 12.984 ( 0.164 0.838 1.471) 1.701 13.160 ( 4.186 -4.211 -1.589) 6.147 13.285 ( 2.865 0.298 -3.607) 4.616 13.346 ( 1.809 -1.378 -9.889) 10.147 13.980 ( -7.808 0.654 6.504) 10.183 14.028 ( -7.498 -1.765 4.823) 9.088 14.145 ( -5.426 3.234 2.127) 6.665 14.233 ( -0.722 -0.684 -1.356) 1.682 14.530 ( 3.412 1.071 3.446) 4.966 14.589 ( 2.568 -0.660 2.160) 3.420 14.641 ( 3.494 0.170 2.132) 4.097 14.648 ( 4.544 -0.032 2.158) 5.031 21.449 ( -0.058 1.901 1.481) 2.410 21.481 ( -0.421 1.084 -0.807) 1.415 21.717 ( -0.235 -1.557 -0.836) 1.783 21.815 ( 2.101 -3.970 -2.361) 5.074 21.899 ( -0.461 3.277 -0.631) 3.369 21.995 ( 0.681 0.776 -4.653) 4.766 22.161 ( -1.561 2.757 -2.530) 4.054 22.313 ( 3.302 -1.851 -4.875) 6.172 22.464 ( 1.543 0.667 -4.006) 4.344 22.534 ( 2.260 -2.746 -3.318) 4.864 22.634 ( 6.752 -0.519 -0.564) 6.795 22.651 ( 5.804 -0.736 -1.216) 5.975 22.718 ( -0.172 3.172 0.611) 3.235 22.774 ( 1.836 1.182 -1.750) 2.798 23.184 ( -3.587 0.649 1.421) 3.912 23.245 ( -5.486 -1.277 0.883) 5.701 23.263 ( -1.886 1.662 -0.892) 2.667 23.337 ( -0.914 -1.283 -2.487) 2.944 23.652 ( -3.248 -0.741 2.845) 4.381 23.739 ( -2.568 -2.244 4.776) 5.868 23.966 ( -1.799 0.675 5.529) 5.854 24.027 ( -4.393 -2.159 8.355) 9.683 24.088 ( 1.858 1.960 2.562) 3.723 24.260 ( 3.046 -2.801 5.506) 6.887 24.416 ( 1.672 2.579 -1.796) 3.560 24.511 ( 0.492 -0.482 -4.806) 4.855 24.574 ( -3.512 2.980 5.501) 7.174 24.647 ( -3.381 -0.213 -0.050) 3.388 24.835 ( 0.763 1.425 2.002) 2.573 24.901 ( -0.818 -1.223 -0.489) 1.550 24.974 ( -0.607 0.541 -0.499) 0.954 25.067 ( 1.905 -2.778 -2.415) 4.145 ======================= Grid point 82 (47/63) ======================= q-point: ( 0.40 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 4.198 -0.006 2.795) 5.043 1.232 ( -4.220 8.193 1.743) 9.380 1.273 ( 1.186 -0.456 4.751) 4.918 1.389 ( 0.114 -0.197 1.541) 1.557 1.405 ( 2.409 7.293 4.127) 8.719 1.493 ( -2.574 0.986 5.203) 5.889 1.647 ( 0.818 5.061 7.307) 8.926 1.715 ( 2.879 0.025 -0.130) 2.882 1.807 ( -1.305 0.589 0.321) 1.467 1.811 ( 3.484 -0.822 1.263) 3.796 1.874 ( -0.950 -3.256 0.865) 3.501 1.936 ( -2.791 -2.367 1.051) 3.808 2.019 ( 3.187 -2.158 4.530) 5.944 2.052 ( 0.882 -2.736 4.016) 4.939 2.112 ( -6.530 3.983 1.012) 7.716 2.185 ( -5.956 -0.895 2.764) 6.627 2.219 ( 4.345 0.705 1.964) 4.820 2.271 ( -1.845 2.211 -1.186) 3.114 2.294 ( 4.415 -1.155 -3.776) 5.924 2.360 ( -0.090 -4.779 3.260) 5.785 2.487 ( 0.619 3.535 4.020) 5.389 2.531 ( -3.900 0.597 4.407) 5.915 2.580 ( 4.772 -0.007 -0.233) 4.778 2.651 ( -0.875 -0.876 0.216) 1.257 2.688 ( -0.804 -2.391 1.844) 3.125 2.748 ( -2.481 0.371 2.578) 3.597 2.776 ( -1.157 -1.361 1.444) 2.297 2.841 ( -1.258 -3.552 3.722) 5.296 2.937 ( 2.401 -1.950 4.652) 5.587 3.000 ( -0.835 -0.763 7.396) 7.482 3.030 ( -0.058 -3.619 4.850) 6.052 3.062 ( 5.360 2.030 3.613) 6.775 3.150 ( -2.624 -3.881 3.097) 5.616 3.234 ( -3.143 -1.165 -0.927) 3.477 3.275 ( 0.918 -3.521 4.176) 5.539 3.325 ( -0.612 -1.499 0.966) 1.886 3.347 ( 1.144 3.195 -2.209) 4.049 3.482 ( 1.275 -1.339 -6.304) 6.570 3.625 ( 4.059 0.904 1.745) 4.510 3.678 ( -2.254 -1.789 4.846) 5.636 3.751 ( 1.724 2.679 0.980) 3.333 3.802 ( -1.878 0.495 -0.023) 1.942 3.875 ( -2.537 4.236 2.735) 5.644 3.939 ( 0.471 1.047 2.598) 2.840 4.041 ( -1.078 3.868 3.838) 5.555 4.092 ( 1.286 9.485 2.084) 9.796 4.276 ( -3.486 0.189 2.895) 4.536 4.422 ( -4.017 0.228 -7.954) 8.914 4.488 ( 1.536 0.969 7.078) 7.308 4.561 ( 3.488 -0.435 1.230) 3.724 4.598 ( -0.250 4.034 6.652) 7.784 4.637 ( -1.566 2.242 6.716) 7.251 4.754 ( -2.988 -5.947 -0.364) 6.665 4.791 ( 0.827 3.208 2.754) 4.308 4.902 ( 0.020 -3.545 -3.838) 5.225 4.944 ( 0.331 0.216 -6.025) 6.038 4.972 ( 5.311 -8.785 -2.014) 10.461 5.104 ( -4.130 3.324 0.941) 5.384 5.114 ( 7.337 -5.369 0.589) 9.110 5.353 ( -3.560 -3.301 -0.556) 4.887 5.561 ( -0.603 0.619 8.848) 8.890 5.697 ( -2.180 -0.930 3.352) 4.105 5.735 ( 2.632 0.654 -2.555) 3.726 5.766 ( 3.463 -0.550 -2.203) 4.141 5.882 ( -3.114 1.742 0.841) 3.666 5.914 ( -0.424 0.379 1.696) 1.789 5.946 ( -2.224 -2.287 0.018) 3.190 5.971 ( 0.232 -1.423 0.326) 1.479 6.354 ( -2.467 1.610 9.592) 10.034 6.390 ( -0.677 0.725 10.590) 10.636 6.834 ( 1.985 4.810 -5.684) 7.706 6.956 ( -0.115 5.238 0.373) 5.253 6.999 ( 0.332 -0.473 -1.146) 1.284 7.048 ( 1.609 2.263 -2.716) 3.884 7.255 ( 0.035 -3.760 -1.183) 3.942 7.260 ( -1.432 -3.312 2.679) 4.494 7.361 ( 1.824 -0.706 -0.154) 1.962 7.429 ( 4.445 -3.943 -3.648) 6.972 7.814 ( -1.046 -0.228 -10.648) 10.702 7.845 ( -0.411 -0.897 -7.024) 7.093 8.011 ( 2.114 3.520 -1.221) 4.284 8.108 ( 3.555 -1.025 -7.865) 8.692 8.199 ( 0.884 2.085 -3.091) 3.832 8.215 ( -2.721 1.706 -6.486) 7.237 8.296 ( 0.116 0.210 -5.738) 5.743 8.387 ( 1.621 -3.064 -5.709) 6.679 8.739 ( -0.300 0.309 -2.190) 2.232 8.747 ( -1.085 0.110 -0.803) 1.354 9.417 ( 1.340 5.043 -2.097) 5.624 9.572 ( -0.138 -0.248 -6.195) 6.202 9.756 ( -1.683 1.802 1.145) 2.718 9.878 ( 0.624 -1.388 -4.926) 5.155 10.198 ( -1.457 0.986 4.045) 4.411 10.361 ( -0.035 -4.144 -3.711) 5.563 10.795 ( 0.629 -1.744 -2.706) 3.281 10.881 ( 0.547 -4.064 -6.303) 7.519 11.039 ( -1.652 2.924 5.109) 6.114 11.140 ( 2.539 0.732 -0.687) 2.731 11.331 ( 5.455 2.242 -5.987) 8.404 11.430 ( -5.865 2.346 -2.347) 6.739 11.506 ( 8.709 -2.944 -9.280) 13.062 11.565 ( -7.886 -3.108 3.042) 9.006 11.899 ( -1.818 3.087 6.063) 7.043 11.998 ( 1.824 1.654 2.752) 3.693 12.096 ( -0.484 -2.227 0.759) 2.402 12.139 ( 1.518 -0.971 -0.410) 1.848 12.383 ( -0.780 -1.338 1.480) 2.142 12.458 ( 1.830 -3.271 -2.773) 4.663 12.670 ( -0.282 5.276 1.265) 5.433 12.791 ( 0.891 1.096 0.685) 1.570 12.801 ( 0.053 0.524 -3.354) 3.395 12.837 ( 0.089 1.638 -1.184) 2.023 12.988 ( -0.490 1.347 2.423) 2.815 13.206 ( -0.988 -5.937 0.554) 6.045 13.296 ( -0.977 -0.071 -6.342) 6.417 13.352 ( 1.724 -1.478 -6.179) 6.583 13.867 ( -3.303 1.471 6.948) 7.833 13.946 ( -1.703 -1.770 4.537) 5.159 14.064 ( -1.600 3.358 0.025) 3.720 14.202 ( -0.816 -2.495 -2.948) 3.948 14.603 ( 2.219 1.778 2.591) 3.847 14.627 ( 0.070 1.324 2.401) 2.743 14.701 ( 0.724 0.148 3.335) 3.416 14.749 ( 3.298 -1.021 0.813) 3.547 21.452 ( -0.076 1.527 1.539) 2.170 21.483 ( 0.683 0.209 -0.232) 0.750 21.717 ( 0.542 0.407 -0.719) 0.988 21.851 ( 1.183 -4.031 -2.197) 4.741 21.867 ( -0.628 5.895 -3.607) 6.939 21.975 ( -1.903 1.544 -4.376) 5.016 22.173 ( 2.772 -0.879 -0.971) 3.066 22.316 ( -0.950 -4.419 -5.873) 7.411 22.524 ( 4.331 0.838 -0.573) 4.449 22.592 ( 2.838 -1.991 -0.453) 3.496 22.704 ( 0.562 0.498 -0.695) 1.023 22.719 ( 1.421 -1.025 0.244) 1.769 22.815 ( 5.729 2.121 -1.789) 6.366 22.854 ( 4.673 0.198 -2.735) 5.418 23.098 ( -6.739 -0.153 1.729) 6.959 23.111 ( -2.894 -1.094 1.231) 3.330 23.199 ( -2.682 1.843 -2.564) 4.143 23.282 ( -2.691 -1.703 -4.069) 5.167 23.642 ( 1.637 0.526 3.285) 3.707 23.683 ( -3.226 -0.447 4.291) 5.387 23.963 ( -1.569 0.209 7.608) 7.771 23.989 ( 0.173 -1.674 5.126) 5.395 24.141 ( 2.368 1.972 0.946) 3.224 24.306 ( -1.871 -4.242 3.153) 5.607 24.435 ( 0.739 2.617 0.887) 2.860 24.459 ( -2.738 2.929 0.731) 4.075 24.507 ( -2.862 1.654 6.160) 6.991 24.628 ( 0.047 -2.657 -2.666) 3.764 24.854 ( 0.094 1.051 1.615) 1.929 24.892 ( 0.130 -0.721 0.677) 0.997 24.974 ( 0.802 1.327 -0.047) 1.551 25.069 ( -0.476 -2.021 -4.026) 4.530 ======================= Grid point 83 (48/63) ======================= q-point: (-0.40 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -6.185 8.204 3.432) 10.832 1.157 ( 0.823 2.904 3.781) 4.838 1.336 ( -5.592 7.713 3.141) 10.032 1.391 ( 1.043 -1.982 2.786) 3.574 1.425 ( 4.264 2.536 3.588) 6.122 1.543 ( 5.131 3.726 0.531) 6.364 1.639 ( -2.091 0.287 4.342) 4.827 1.711 ( -6.739 -1.918 -1.071) 7.088 1.771 ( -2.071 -0.631 3.087) 3.771 1.811 ( -1.197 0.119 4.201) 4.370 1.841 ( -1.731 -1.263 4.802) 5.259 1.952 ( -3.714 2.784 1.867) 5.003 1.970 ( 1.147 0.705 0.894) 1.616 2.023 ( -7.629 -0.751 -2.032) 7.931 2.096 ( 0.458 0.235 5.320) 5.344 2.113 ( 2.911 -0.193 3.438) 4.509 2.254 ( 1.269 -5.262 -2.169) 5.831 2.303 ( 2.216 -0.226 1.959) 2.966 2.354 ( -0.323 -2.272 1.235) 2.607 2.382 ( 3.184 1.650 -0.466) 3.616 2.435 ( -2.995 3.478 5.743) 7.352 2.529 ( -0.967 -3.413 2.049) 4.096 2.605 ( -1.519 1.241 0.474) 2.018 2.632 ( -2.077 2.252 2.266) 3.811 2.680 ( -4.679 -2.070 1.682) 5.386 2.720 ( 2.957 -2.430 3.550) 5.221 2.816 ( 2.793 -3.797 2.891) 5.530 2.880 ( 6.871 -4.139 -0.591) 8.043 2.961 ( -3.809 -2.108 6.140) 7.527 3.002 ( 1.334 -0.707 4.839) 5.069 3.053 ( -0.747 0.694 9.274) 9.330 3.135 ( 1.365 -6.010 -1.445) 6.330 3.170 ( 1.245 -2.667 0.547) 2.994 3.221 ( 0.551 -0.510 2.624) 2.730 3.276 ( -2.607 1.711 2.500) 3.996 3.314 ( -1.259 0.096 0.559) 1.381 3.371 ( 3.205 -2.310 0.078) 3.951 3.440 ( -0.869 -0.886 -6.327) 6.447 3.638 ( -3.130 -3.027 4.475) 6.244 3.671 ( -5.565 5.612 -1.310) 8.011 3.718 ( 2.458 -0.183 0.831) 2.601 3.768 ( 0.669 3.290 2.419) 4.138 3.905 ( 1.834 3.412 4.550) 5.975 3.997 ( 0.227 2.625 -1.645) 3.106 4.047 ( 2.800 4.052 5.409) 7.315 4.141 ( 1.040 1.800 7.423) 7.708 4.262 ( 1.069 2.368 -2.205) 3.408 4.313 ( -3.300 2.655 -6.278) 7.573 4.454 ( -4.615 3.674 5.623) 8.150 4.579 ( -2.199 -1.118 1.150) 2.722 4.597 ( -3.519 3.124 7.859) 9.160 4.619 ( 2.201 2.740 1.546) 3.839 4.690 ( -5.828 -2.560 5.254) 8.253 4.770 ( -6.847 -1.624 5.350) 8.840 4.809 ( -0.830 -7.415 -1.064) 7.537 4.975 ( 3.476 -3.852 -3.441) 6.225 5.061 ( 2.794 -1.522 -4.898) 5.840 5.121 ( 3.329 0.479 -4.541) 5.650 5.258 ( 4.120 -0.763 -0.486) 4.219 5.349 ( 4.032 -5.425 -0.497) 6.777 5.544 ( -2.543 1.956 7.759) 8.396 5.621 ( -5.066 1.034 3.000) 5.977 5.696 ( -6.403 1.198 2.154) 6.861 5.782 ( -0.953 -0.378 -0.464) 1.125 5.832 ( 0.240 1.016 1.894) 2.163 5.874 ( -1.613 -1.087 1.212) 2.291 5.958 ( 0.322 0.410 1.852) 1.924 5.984 ( 0.994 -3.142 -2.289) 4.012 6.366 ( 1.298 2.321 6.706) 7.214 6.443 ( 1.268 -1.120 10.860) 10.991 6.851 ( 0.875 2.922 -4.547) 5.475 6.936 ( -1.433 1.589 -1.516) 2.622 7.014 ( 1.471 3.084 -1.546) 3.750 7.086 ( 2.030 1.694 -1.836) 3.219 7.212 ( -1.781 -1.142 0.308) 2.139 7.274 ( 0.810 -4.979 0.417) 5.062 7.385 ( -0.455 1.299 -0.267) 1.402 7.484 ( 1.244 -2.332 -6.285) 6.818 7.802 ( 2.010 -2.254 -8.068) 8.615 7.823 ( 1.879 -2.400 -8.533) 9.061 8.052 ( 1.606 4.030 1.373) 4.551 8.131 ( -2.736 0.889 -3.795) 4.762 8.159 ( 2.760 0.004 -13.141) 13.428 8.210 ( 1.515 1.574 -3.477) 4.107 8.276 ( -0.096 0.693 -5.009) 5.058 8.389 ( 0.311 -2.367 -5.843) 6.312 8.723 ( -0.751 1.103 -0.357) 1.381 8.746 ( 1.432 0.040 -1.449) 2.038 9.432 ( 0.261 3.358 -1.056) 3.530 9.539 ( -0.577 0.557 -6.425) 6.475 9.740 ( 0.068 2.326 1.089) 2.569 9.897 ( 2.172 -1.798 -4.970) 5.714 10.189 ( -0.421 0.943 3.999) 4.130 10.364 ( 1.252 -4.057 -3.488) 5.495 10.784 ( -0.524 -1.302 -2.183) 2.595 10.904 ( 3.166 -4.237 -7.052) 8.815 10.999 ( -3.257 3.096 6.000) 7.496 11.178 ( 1.010 -2.489 -3.091) 4.095 11.259 ( -5.441 2.451 -1.979) 6.287 11.337 ( -7.293 -1.205 -1.701) 7.585 11.544 ( 7.490 3.034 -4.902) 9.452 11.681 ( 7.700 -2.401 -4.057) 9.029 11.890 ( -0.988 3.149 4.827) 5.848 12.032 ( -0.102 -0.469 3.588) 3.620 12.105 ( 1.995 -0.969 -1.235) 2.539 12.163 ( 0.939 0.086 -0.547) 1.090 12.347 ( -2.834 0.644 1.431) 3.240 12.461 ( -1.179 -1.724 -1.018) 2.324 12.702 ( 3.048 1.463 0.137) 3.384 12.804 ( 0.713 1.559 -1.343) 2.178 12.820 ( 1.221 0.087 -1.580) 1.999 12.837 ( 0.800 -0.770 -2.570) 2.799 12.980 ( -0.973 1.231 3.274) 3.630 13.113 ( -6.647 -4.189 3.858) 8.753 13.240 ( -1.655 2.359 -7.110) 7.672 13.371 ( 0.905 -2.657 -3.988) 4.877 13.888 ( 3.321 0.513 5.175) 6.170 13.969 ( 1.861 -2.598 5.293) 6.183 14.084 ( 3.337 3.292 -1.302) 4.865 14.202 ( 1.868 -1.871 -3.589) 4.457 14.608 ( -2.015 1.293 2.058) 3.157 14.634 ( -0.439 1.536 2.455) 2.929 14.684 ( -3.265 0.578 3.500) 4.822 14.768 ( -1.970 -1.620 0.096) 2.553 21.454 ( -0.204 1.262 1.214) 1.763 21.501 ( 0.867 -0.523 -0.200) 1.032 21.737 ( 1.431 3.265 0.107) 3.566 21.807 ( -2.336 3.866 -5.200) 6.888 21.867 ( -1.142 -0.772 -0.535) 1.478 21.966 ( 3.729 0.085 -4.631) 5.947 22.208 ( -0.009 -2.352 -1.352) 2.713 22.266 ( -1.482 -4.014 -4.587) 6.273 22.584 ( -0.567 -0.096 -0.034) 0.576 22.591 ( -3.205 -0.354 -2.627) 4.159 22.704 ( -1.453 -0.765 -0.320) 1.673 22.726 ( -0.210 -1.073 -0.914) 1.425 22.836 ( -3.115 2.576 -2.652) 4.834 22.878 ( -1.466 0.535 -4.098) 4.385 23.045 ( 3.438 0.162 2.649) 4.344 23.102 ( 1.938 -2.348 2.498) 3.938 23.216 ( 4.566 0.758 -2.306) 5.171 23.246 ( 1.125 -0.834 -3.314) 3.598 23.624 ( -2.549 1.727 3.500) 4.661 23.718 ( 2.761 -2.081 3.184) 4.700 23.963 ( 0.287 1.696 6.011) 6.252 24.046 ( 2.307 -0.821 6.008) 6.488 24.190 ( 1.504 -1.436 -0.460) 2.130 24.231 ( -3.661 -1.243 1.530) 4.158 24.385 ( -4.099 4.294 2.924) 6.617 24.480 ( 2.146 2.052 6.324) 6.986 24.516 ( 0.802 0.697 5.109) 5.218 24.603 ( -0.608 -3.758 -4.248) 5.704 24.843 ( -1.329 1.579 1.536) 2.573 24.909 ( 0.987 -1.129 0.112) 1.504 25.004 ( 1.455 0.314 0.608) 1.608 25.034 ( -1.324 -0.684 -4.370) 4.617 ======================= Grid point 84 (49/63) ======================= q-point: (-0.20 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -4.348 7.494 7.960) 11.765 1.181 ( -4.617 8.132 8.836) 12.865 1.229 ( 2.845 2.323 4.135) 5.531 1.430 ( 2.123 -4.032 0.067) 4.557 1.453 ( -8.274 -2.166 2.653) 8.955 1.550 ( -0.192 1.828 -0.965) 2.076 1.590 ( -3.247 1.681 4.651) 5.916 1.622 ( -2.994 3.535 -0.441) 4.654 1.758 ( -1.849 -0.385 -2.543) 3.168 1.775 ( -0.703 0.658 0.275) 1.001 1.829 ( -1.719 -2.445 -0.502) 3.030 1.858 ( -0.694 -1.214 4.877) 5.074 1.943 ( -0.457 -3.943 1.823) 4.369 1.989 ( -2.204 2.187 3.190) 4.451 2.058 ( 0.650 -1.866 1.168) 2.295 2.172 ( -6.136 -6.499 -0.190) 8.939 2.253 ( -0.437 0.513 2.211) 2.311 2.313 ( 4.314 -0.241 0.895) 4.412 2.358 ( -0.460 0.897 2.646) 2.832 2.391 ( 3.197 -0.605 3.413) 4.715 2.506 ( 2.549 -1.180 2.372) 3.677 2.554 ( -0.304 5.536 8.110) 9.824 2.591 ( 1.858 1.825 4.583) 5.271 2.609 ( -0.579 1.324 3.537) 3.821 2.680 ( 2.227 1.463 3.421) 4.336 2.787 ( 1.210 0.311 5.702) 5.837 2.855 ( -5.550 3.600 1.515) 6.787 2.869 ( -1.534 -2.633 0.399) 3.074 2.953 ( -0.417 -6.082 2.977) 6.785 3.008 ( -5.147 1.256 5.077) 7.338 3.078 ( 2.620 -2.748 4.729) 6.064 3.105 ( -3.837 -3.194 4.624) 6.805 3.156 ( 1.083 -2.537 2.110) 3.473 3.217 ( -1.505 -2.520 2.383) 3.780 3.300 ( 3.101 -2.732 -4.086) 5.812 3.330 ( 3.054 0.652 0.811) 3.226 3.429 ( -0.439 -0.910 -3.758) 3.891 3.443 ( 2.276 -4.414 -1.771) 5.273 3.507 ( -3.318 6.169 -1.668) 7.200 3.612 ( -1.480 0.066 -2.442) 2.856 3.788 ( 1.206 -0.710 4.961) 5.154 3.808 ( 1.879 0.864 2.649) 3.360 3.934 ( -0.017 1.269 0.760) 1.479 3.999 ( 0.996 5.838 1.144) 6.032 4.079 ( -3.699 0.972 5.586) 6.770 4.190 ( 0.618 0.241 5.733) 5.771 4.226 ( -3.078 -4.187 1.854) 5.518 4.254 ( -0.128 6.560 -0.273) 6.567 4.360 ( -4.259 3.588 -1.251) 5.708 4.483 ( -6.104 -2.175 -0.672) 6.514 4.521 ( -3.663 1.389 6.909) 7.942 4.597 ( -3.420 -1.508 3.848) 5.364 4.653 ( 0.828 -0.911 6.051) 6.175 4.777 ( 5.320 0.924 -1.291) 5.552 4.827 ( 2.304 -5.481 -0.011) 5.945 5.015 ( -0.668 1.879 -2.979) 3.585 5.082 ( 0.616 -0.066 -2.194) 2.280 5.132 ( 0.722 -4.240 -4.481) 6.211 5.301 ( -0.710 2.081 -2.963) 3.690 5.387 ( -0.965 -3.978 1.719) 4.440 5.525 ( -1.999 2.441 0.709) 3.234 5.586 ( -0.638 -0.273 -0.102) 0.702 5.602 ( 1.574 0.283 7.416) 7.586 5.746 ( -1.702 -2.879 0.340) 3.362 5.832 ( -2.638 -0.735 2.500) 3.708 5.881 ( 2.953 0.799 1.238) 3.300 5.944 ( -1.795 0.971 1.980) 2.843 5.999 ( 0.314 0.347 1.281) 1.364 6.431 ( 2.381 1.584 4.991) 5.752 6.475 ( -1.848 -0.356 11.040) 11.199 6.824 ( -2.558 1.413 0.117) 2.925 6.909 ( -0.533 -0.269 -1.640) 1.745 7.042 ( 1.269 4.541 -2.579) 5.374 7.103 ( 0.150 2.430 -2.262) 3.323 7.203 ( 1.269 -0.530 -0.263) 1.400 7.290 ( -0.442 -3.003 1.387) 3.338 7.351 ( -1.046 0.703 -1.597) 2.034 7.457 ( -1.250 -2.470 -7.934) 8.403 7.805 ( 1.336 -0.618 -7.694) 7.833 7.885 ( 4.277 -2.723 -7.425) 8.991 8.061 ( -1.844 1.509 -0.223) 2.393 8.093 ( 0.817 1.088 -1.928) 2.360 8.143 ( 0.735 0.776 -14.560) 14.599 8.236 ( 1.314 -0.800 -4.885) 5.122 8.281 ( 1.758 2.162 -2.502) 3.745 8.373 ( 0.102 -1.708 -6.163) 6.396 8.719 ( 0.571 1.637 -0.119) 1.738 8.780 ( 1.754 -0.785 -1.581) 2.489 9.425 ( -0.660 2.715 0.339) 2.814 9.520 ( 0.671 0.275 -5.472) 5.520 9.761 ( 1.193 2.647 1.313) 3.186 9.925 ( 1.572 -1.936 -4.769) 5.382 10.204 ( 0.468 0.760 4.138) 4.233 10.387 ( 1.635 -5.066 -3.442) 6.339 10.782 ( 1.254 1.104 -3.341) 3.735 10.945 ( 1.932 -2.450 -7.503) 8.126 10.959 ( -1.612 3.179 5.705) 6.727 11.129 ( -3.061 -0.803 -4.385) 5.408 11.180 ( -3.744 0.751 -3.128) 4.936 11.213 ( -0.719 -3.055 -1.057) 3.312 11.702 ( 7.465 2.058 -4.386) 8.899 11.777 ( 0.768 0.134 1.023) 1.286 11.886 ( -0.319 -1.146 3.623) 3.813 12.009 ( -2.423 -4.238 2.144) 5.332 12.182 ( 5.103 1.082 -2.531) 5.798 12.197 ( 2.556 2.396 -0.218) 3.511 12.272 ( -4.056 2.632 0.541) 4.866 12.413 ( -2.724 -1.488 -2.872) 4.229 12.764 ( 1.861 0.452 -0.283) 1.936 12.794 ( -1.689 0.473 0.891) 1.968 12.825 ( -2.015 -0.445 -0.367) 2.096 12.850 ( 1.831 -0.610 -2.456) 3.124 12.969 ( -0.381 0.089 2.935) 2.961 13.026 ( -1.021 -2.288 1.829) 3.102 13.205 ( 0.542 3.850 -5.256) 6.538 13.358 ( -0.440 -3.220 -5.328) 6.241 14.027 ( 7.227 -0.543 3.991) 8.273 14.046 ( 3.786 -1.166 5.918) 7.122 14.164 ( 3.051 2.919 -0.344) 4.236 14.247 ( 2.420 -0.593 -2.180) 3.311 14.565 ( -2.241 0.011 1.427) 2.656 14.588 ( -4.281 -0.410 2.908) 5.192 14.613 ( -3.290 1.211 2.712) 4.433 14.664 ( -7.258 -1.289 1.126) 7.457 21.451 ( -0.367 1.386 0.854) 1.669 21.513 ( 0.237 -0.214 -0.621) 0.699 21.733 ( -1.794 3.408 -2.724) 4.718 21.794 ( 2.766 3.242 0.050) 4.262 21.839 ( -0.855 -0.712 -2.168) 2.437 22.062 ( 4.642 -4.189 -4.515) 7.713 22.169 ( -1.257 -0.278 -2.271) 2.611 22.241 ( -0.390 -0.648 -2.138) 2.267 22.460 ( -5.738 0.993 -4.149) 7.150 22.512 ( -3.744 -1.030 -1.915) 4.330 22.670 ( -1.863 0.446 -1.355) 2.346 22.702 ( -2.215 -0.258 -1.186) 2.526 22.740 ( -3.706 1.150 -2.817) 4.795 22.800 ( -2.420 0.282 -3.999) 4.683 23.183 ( 5.205 -0.309 2.207) 5.662 23.199 ( 4.961 -1.737 2.110) 5.664 23.284 ( 2.119 1.042 -1.962) 3.070 23.306 ( 3.378 0.095 -1.197) 3.585 23.619 ( 1.887 0.837 3.647) 4.190 23.758 ( -0.244 -5.006 4.006) 6.416 24.004 ( 1.169 3.420 4.292) 5.611 24.085 ( -1.339 0.689 7.034) 7.194 24.150 ( -2.629 0.296 2.440) 3.598 24.219 ( -1.430 -3.409 5.936) 6.993 24.338 ( 0.132 3.127 -1.142) 3.331 24.491 ( -1.003 -0.734 -2.161) 2.493 24.544 ( 0.522 2.477 3.555) 4.364 24.681 ( 7.174 -3.560 1.685) 8.184 24.822 ( -0.845 2.107 1.729) 2.854 24.926 ( 0.691 -2.090 -0.141) 2.206 24.979 ( -2.200 1.071 -3.684) 4.422 25.028 ( -0.009 -0.674 0.785) 1.034 ======================= Grid point 85 (50/63) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -3.000 -8.936 8.181) 12.481 1.118 ( -3.000 8.936 8.181) 12.481 1.312 ( 0.023 -4.985 7.521) 9.023 1.312 ( 0.023 4.985 7.521) 9.023 1.488 ( -6.399 -1.651 -0.385) 6.619 1.488 ( -6.399 1.651 -0.385) 6.619 1.532 ( 2.287 -3.596 -2.865) 5.135 1.532 ( 2.287 3.596 -2.865) 5.135 1.722 ( 2.241 -5.877 1.724) 6.522 1.722 ( 2.241 5.877 1.724) 6.522 1.831 ( 3.588 -1.342 -0.606) 3.878 1.831 ( 3.588 1.342 -0.606) 3.878 1.967 ( -1.676 -2.721 5.221) 6.121 1.967 ( -1.676 2.721 5.221) 6.121 2.078 ( 2.072 -1.665 1.116) 2.882 2.078 ( 2.072 1.665 1.116) 2.882 2.285 ( -2.693 -3.078 -3.289) 5.248 2.285 ( -2.693 3.078 -3.289) 5.248 2.476 ( 2.395 -0.627 4.381) 5.032 2.476 ( 2.395 0.627 4.381) 5.032 2.565 ( -2.415 -1.191 5.083) 5.753 2.565 ( -2.415 1.191 5.083) 5.753 2.645 ( -1.072 -2.840 6.127) 6.837 2.645 ( -1.072 2.840 6.127) 6.837 2.764 ( -2.452 -2.009 3.696) 4.869 2.764 ( -2.452 2.009 3.696) 4.869 2.829 ( 0.685 -1.416 4.640) 4.899 2.829 ( 0.685 1.416 4.640) 4.899 2.873 ( -2.813 -1.215 4.131) 5.143 2.873 ( -2.813 1.215 4.131) 5.143 3.102 ( -0.072 -5.598 6.267) 8.404 3.102 ( -0.072 5.598 6.267) 8.404 3.174 ( 3.702 -2.849 1.819) 5.013 3.174 ( 3.702 2.849 1.819) 5.013 3.292 ( -3.122 -4.146 -4.033) 6.572 3.292 ( -3.122 4.146 -4.033) 6.572 3.416 ( 0.271 -0.693 -3.035) 3.125 3.416 ( 0.271 0.693 -3.035) 3.125 3.568 ( -1.065 -2.859 -5.282) 6.100 3.568 ( -1.065 2.859 -5.282) 6.100 3.812 ( -0.843 -4.967 5.786) 7.672 3.812 ( -0.843 4.967 5.786) 7.672 3.971 ( -2.872 -3.715 4.863) 6.760 3.971 ( -2.872 3.715 4.863) 6.760 4.135 ( 0.586 -5.387 1.444) 5.607 4.135 ( 0.586 5.387 1.444) 5.607 4.188 ( 1.527 -4.742 3.164) 5.902 4.188 ( 1.527 4.742 3.164) 5.902 4.392 ( 2.173 -3.876 2.516) 5.107 4.392 ( 2.173 3.876 2.516) 5.107 4.628 ( 0.489 -5.600 6.550) 8.631 4.628 ( 0.489 5.600 6.550) 8.631 4.720 ( 3.742 -6.403 -2.690) 7.889 4.720 ( 3.742 6.403 -2.690) 7.889 4.879 ( -3.472 -7.796 -5.698) 10.262 4.879 ( -3.472 7.796 -5.698) 10.262 5.085 ( -2.784 -1.521 -1.356) 3.450 5.085 ( -2.784 1.521 -1.356) 3.450 5.329 ( 1.609 -1.691 -0.395) 2.367 5.329 ( 1.609 1.691 -0.395) 2.367 5.593 ( -0.275 -4.791 -0.823) 4.869 5.593 ( -0.275 4.791 -0.823) 4.869 5.629 ( 0.062 -1.742 3.967) 4.333 5.629 ( 0.062 1.742 3.967) 4.333 5.841 ( 0.568 -3.081 0.726) 3.216 5.841 ( 0.568 3.081 0.726) 3.216 6.017 ( 0.279 -1.671 3.060) 3.498 6.017 ( 0.279 1.671 3.060) 3.498 6.469 ( -2.280 -1.611 8.224) 8.685 6.469 ( -2.280 1.611 8.224) 8.685 6.856 ( 1.222 -4.752 -0.862) 4.981 6.856 ( 1.222 4.752 -0.862) 4.981 7.131 ( -1.544 -4.820 1.383) 5.247 7.131 ( -1.544 4.820 1.383) 5.247 7.219 ( 0.082 -4.317 -3.089) 5.309 7.219 ( 0.082 4.317 -3.089) 5.309 7.341 ( -1.491 -1.286 -1.472) 2.458 7.341 ( -1.491 1.286 -1.472) 2.458 7.872 ( 2.718 -3.401 -7.729) 8.871 7.872 ( 2.718 3.401 -7.729) 8.871 8.043 ( -0.559 -1.849 -7.064) 7.324 8.043 ( -0.559 1.849 -7.064) 7.324 8.215 ( 2.125 -3.160 -5.594) 6.768 8.215 ( 2.125 3.160 -5.594) 6.768 8.328 ( 0.043 -0.986 -2.924) 3.086 8.328 ( 0.043 0.986 -2.924) 3.086 8.768 ( 0.444 -1.443 -2.010) 2.514 8.768 ( 0.444 1.443 -2.010) 2.514 9.497 ( 0.966 -3.531 -1.181) 3.847 9.497 ( 0.966 3.531 -1.181) 3.847 9.859 ( 0.235 -4.291 -1.715) 4.627 9.859 ( 0.235 4.291 -1.715) 4.627 10.280 ( 0.295 -4.830 -0.736) 4.895 10.280 ( 0.295 4.830 -0.736) 4.895 10.868 ( -0.314 -3.259 -3.029) 4.460 10.868 ( -0.314 3.259 -3.029) 4.460 11.089 ( 1.725 -5.600 -3.235) 6.694 11.089 ( 1.725 5.600 -3.235) 6.694 11.128 ( 2.011 -3.182 -2.223) 4.372 11.128 ( 2.011 3.182 -2.223) 4.372 11.773 ( -4.131 -2.751 1.964) 5.338 11.773 ( -4.131 2.751 1.964) 5.338 11.887 ( 1.792 -3.279 0.623) 3.788 11.887 ( 1.792 3.279 0.623) 3.788 12.219 ( -5.012 -1.678 -0.022) 5.286 12.219 ( -5.012 1.678 -0.022) 5.286 12.333 ( 3.814 -2.045 -2.995) 5.263 12.333 ( 3.814 2.045 -2.995) 5.263 12.770 ( -0.875 -1.975 1.260) 2.501 12.770 ( -0.875 1.975 1.260) 2.501 12.841 ( 0.065 -1.467 -0.565) 1.573 12.841 ( 0.065 1.467 -0.565) 1.573 12.999 ( 1.858 -2.575 0.786) 3.271 12.999 ( 1.858 2.575 0.786) 3.271 13.290 ( 1.931 -2.588 -6.520) 7.275 13.290 ( 1.931 2.588 -6.520) 7.275 14.139 ( -2.386 -2.520 4.448) 5.641 14.139 ( -2.386 2.520 4.448) 5.641 14.214 ( 0.212 -1.007 1.053) 1.473 14.214 ( 0.212 1.007 1.053) 1.473 14.526 ( -1.781 -1.729 3.157) 4.016 14.526 ( -1.781 1.729 3.157) 4.016 14.572 ( 0.985 -0.095 1.680) 1.950 14.572 ( 0.985 0.095 1.680) 1.950 21.492 ( -0.119 -1.977 0.822) 2.145 21.492 ( -0.119 1.977 0.822) 2.145 21.738 ( -1.428 -2.800 -3.361) 4.601 21.738 ( -1.428 2.800 -3.361) 4.601 21.963 ( 1.256 -4.422 -2.816) 5.391 21.963 ( 1.256 4.422 -2.816) 5.391 22.240 ( 1.822 -0.904 -2.622) 3.319 22.240 ( 1.822 0.904 -2.622) 3.319 22.449 ( 2.336 -1.067 -2.173) 3.364 22.449 ( 2.336 1.067 -2.173) 3.364 22.588 ( -2.944 -0.843 -4.498) 5.441 22.588 ( -2.944 0.843 -4.498) 5.441 22.770 ( 0.217 -1.873 0.408) 1.929 22.770 ( 0.217 1.873 0.408) 1.929 23.261 ( 0.675 -1.478 1.582) 2.267 23.261 ( 0.675 1.478 1.582) 2.267 23.328 ( -0.240 -1.510 -1.841) 2.393 23.328 ( -0.240 1.510 -1.841) 2.393 23.670 ( 0.280 -1.251 3.551) 3.775 23.670 ( 0.280 1.251 3.551) 3.775 24.054 ( -4.463 -2.495 6.645) 8.384 24.054 ( -4.463 2.495 6.645) 8.384 24.138 ( 0.126 -4.679 4.573) 6.544 24.138 ( 0.126 4.679 4.573) 6.544 24.434 ( 2.084 -3.247 -3.467) 5.187 24.434 ( 2.084 3.247 -3.467) 5.187 24.679 ( 0.305 -4.862 3.328) 5.899 24.679 ( 0.305 4.862 3.328) 5.899 24.873 ( -0.258 -2.982 0.973) 3.147 24.873 ( -0.258 2.982 0.973) 3.147 24.985 ( 0.162 -1.688 -1.558) 2.303 24.985 ( 0.162 1.688 -1.558) 2.303 ======================= Grid point 87 (51/63) ======================= q-point: ( 0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.265 -8.329 6.879) 10.806 1.110 ( 0.265 8.329 6.879) 10.806 1.353 ( 1.071 -2.835 4.609) 5.516 1.353 ( 1.071 2.835 4.609) 5.516 1.431 ( 1.111 -3.653 4.562) 5.949 1.431 ( 1.111 3.653 4.562) 5.949 1.646 ( 7.245 -5.029 -0.423) 8.829 1.646 ( 7.245 5.029 -0.423) 8.829 1.808 ( 3.494 -7.437 0.438) 8.228 1.808 ( 3.494 7.437 0.438) 8.228 1.888 ( -2.568 -2.869 3.762) 5.383 1.888 ( -2.568 2.869 3.762) 5.383 1.940 ( 1.200 -2.658 0.577) 2.973 1.940 ( 1.200 2.658 0.577) 2.973 2.118 ( 3.633 -2.623 -1.686) 4.788 2.118 ( 3.633 2.623 -1.686) 4.788 2.233 ( -1.766 -1.147 0.516) 2.168 2.233 ( -1.766 1.147 0.516) 2.168 2.372 ( -6.536 -1.591 2.148) 7.061 2.372 ( -6.536 1.591 2.148) 7.061 2.595 ( -1.356 -1.725 5.420) 5.847 2.595 ( -1.356 1.725 5.420) 5.847 2.646 ( -3.799 -3.289 5.512) 7.459 2.646 ( -3.799 3.289 5.512) 7.459 2.715 ( -0.724 -5.615 4.061) 6.967 2.715 ( -0.724 5.615 4.061) 6.967 2.813 ( 0.763 -2.291 0.435) 2.453 2.813 ( 0.763 2.291 0.435) 2.453 2.901 ( 0.639 -4.338 7.548) 8.729 2.901 ( 0.639 4.338 7.548) 8.729 3.089 ( -2.078 -1.130 6.191) 6.627 3.089 ( -2.078 1.130 6.191) 6.627 3.144 ( -6.144 -5.637 -2.401) 8.677 3.144 ( -6.144 5.637 -2.401) 8.677 3.298 ( 2.185 -0.666 -0.216) 2.294 3.298 ( 2.185 0.666 -0.216) 2.294 3.396 ( 1.514 -1.319 -4.610) 5.029 3.396 ( 1.514 1.319 -4.610) 5.029 3.576 ( 3.928 -0.605 -2.419) 4.652 3.576 ( 3.928 0.605 -2.419) 4.652 3.803 ( -2.362 -4.954 5.567) 7.817 3.803 ( -2.362 4.954 5.567) 7.817 3.944 ( -1.468 -2.314 6.780) 7.313 3.944 ( -1.468 2.314 6.780) 7.313 4.145 ( 0.437 -7.244 0.690) 7.290 4.145 ( 0.437 7.244 0.690) 7.290 4.325 ( 7.809 -4.169 3.213) 9.417 4.325 ( 7.809 4.169 3.213) 9.417 4.513 ( 4.579 -3.231 1.337) 5.761 4.513 ( 4.579 3.231 1.337) 5.761 4.625 ( -1.998 -2.799 4.084) 5.339 4.625 ( -1.998 2.799 4.084) 5.339 4.698 ( -2.733 -5.862 -2.524) 6.943 4.698 ( -2.733 5.862 -2.524) 6.943 4.847 ( 2.924 -4.185 -3.437) 6.155 4.847 ( 2.924 4.185 -3.437) 6.155 5.010 ( -3.541 -0.324 -0.709) 3.626 5.010 ( -3.541 0.324 -0.709) 3.626 5.328 ( -3.132 -4.729 -0.791) 5.727 5.328 ( -3.132 4.729 -0.791) 5.727 5.596 ( 0.885 -6.153 4.497) 7.672 5.596 ( 0.885 6.153 4.497) 7.672 5.671 ( 4.090 -0.689 -2.557) 4.872 5.671 ( 4.090 0.689 -2.557) 4.872 5.878 ( 1.509 -2.932 1.430) 3.594 5.878 ( 1.509 2.932 1.430) 3.594 6.006 ( -2.153 -2.154 2.499) 3.940 6.006 ( -2.153 2.154 2.499) 3.940 6.424 ( -3.954 -1.954 9.568) 10.536 6.424 ( -3.954 1.954 9.568) 10.536 6.904 ( 2.871 -4.905 -2.973) 6.414 6.904 ( 2.871 4.905 -2.973) 6.414 7.095 ( -1.669 -3.616 1.327) 4.198 7.095 ( -1.669 3.616 1.327) 4.198 7.204 ( -0.141 -5.844 -1.300) 5.988 7.204 ( -0.141 5.844 -1.300) 5.988 7.321 ( 0.083 -1.478 -1.129) 1.862 7.321 ( 0.083 1.478 -1.129) 1.862 7.876 ( -0.239 -1.314 -8.291) 8.398 7.876 ( -0.239 1.314 -8.291) 8.398 8.035 ( 1.872 -2.349 -6.449) 7.115 8.035 ( 1.872 2.349 -6.449) 7.115 8.247 ( 2.068 -3.991 -5.730) 7.283 8.247 ( 2.068 3.991 -5.730) 7.283 8.313 ( -0.292 -1.225 -3.133) 3.377 8.313 ( -0.292 1.225 -3.133) 3.377 8.761 ( -0.387 -0.444 -1.983) 2.069 8.761 ( -0.387 0.444 -1.983) 2.069 9.516 ( 1.166 -4.584 -2.323) 5.269 9.516 ( 1.166 4.584 -2.323) 5.269 9.846 ( -0.883 -3.500 -1.878) 4.069 9.846 ( -0.883 3.500 -1.878) 4.069 10.273 ( -0.630 -4.523 -0.674) 4.616 10.273 ( -0.630 4.523 -0.674) 4.616 10.833 ( -1.312 -3.073 -3.519) 4.852 10.833 ( -1.312 3.073 -3.519) 4.852 11.095 ( 0.833 -2.538 -1.183) 2.921 11.095 ( 0.833 2.538 -1.183) 2.921 11.256 ( 8.536 -3.777 -5.119) 10.646 11.256 ( 8.536 3.777 -5.119) 10.646 11.646 ( -7.453 -3.451 1.306) 8.317 11.646 ( -7.453 3.451 1.306) 8.317 11.939 ( 1.758 -0.142 4.014) 4.385 11.939 ( 1.758 0.142 4.014) 4.385 12.119 ( -3.062 -0.550 -0.243) 3.121 12.119 ( -3.062 0.550 -0.243) 3.121 12.386 ( 1.345 -1.527 -2.001) 2.854 12.386 ( 1.345 1.527 -2.001) 2.854 12.770 ( 0.758 -2.799 -0.576) 2.957 12.770 ( 0.758 2.799 -0.576) 2.957 12.832 ( -0.698 -0.477 -0.306) 0.899 12.832 ( -0.698 0.477 -0.306) 0.899 13.051 ( 2.056 -5.249 1.527) 5.840 13.051 ( 2.056 5.249 1.527) 5.840 13.311 ( 1.726 -1.809 -7.792) 8.184 13.311 ( 1.726 1.809 -7.792) 8.184 13.999 ( -7.598 -1.159 5.878) 9.676 13.999 ( -7.598 1.159 5.878) 9.676 14.204 ( -3.125 -2.210 0.154) 3.830 14.204 ( -3.125 2.210 0.154) 3.830 14.562 ( 3.718 -1.756 2.552) 4.839 14.562 ( 3.718 1.756 2.552) 4.839 14.646 ( 3.811 -0.211 2.206) 4.408 14.646 ( 3.811 0.211 2.206) 4.408 21.485 ( -0.556 -1.010 0.643) 1.320 21.485 ( -0.556 1.010 0.643) 1.320 21.729 ( 1.149 -2.893 -1.279) 3.366 21.729 ( 1.149 2.893 -1.279) 3.366 21.971 ( 0.681 -2.709 -3.283) 4.310 21.971 ( 0.681 2.709 -3.283) 4.310 22.245 ( -0.505 -4.435 -4.166) 6.106 22.245 ( -0.505 4.435 -4.166) 6.106 22.488 ( 1.689 -1.653 -3.622) 4.325 22.488 ( 1.689 1.653 -3.622) 4.325 22.634 ( 7.009 -0.595 -0.982) 7.103 22.634 ( 7.009 0.595 -0.982) 7.103 22.773 ( 0.486 -1.522 -0.175) 1.607 22.773 ( 0.486 1.522 -0.175) 1.607 23.210 ( -5.207 -1.748 1.055) 5.593 23.210 ( -5.207 1.748 1.055) 5.593 23.302 ( -1.458 -1.934 -1.762) 2.995 23.302 ( -1.458 1.934 -1.762) 2.995 23.675 ( -1.054 -2.920 3.282) 4.517 23.675 ( -1.054 2.920 3.282) 4.517 23.984 ( -3.364 -1.626 6.836) 7.790 23.984 ( -3.364 1.626 6.836) 7.790 24.172 ( 1.688 -5.032 4.323) 6.845 24.172 ( 1.688 5.032 4.323) 6.845 24.476 ( 1.990 -2.754 -3.342) 4.765 24.476 ( 1.990 2.754 -3.342) 4.765 24.630 ( -4.552 -1.883 3.476) 6.029 24.630 ( -4.552 1.883 3.476) 6.029 24.869 ( -0.150 -1.701 1.064) 2.012 24.869 ( -0.150 1.701 1.064) 2.012 25.006 ( 1.420 -2.563 -1.862) 3.471 25.006 ( 1.420 2.563 -1.862) 3.471 ======================= Grid point 89 (52/63) ======================= q-point: ( 0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 3.432 -6.336 5.149) 8.856 1.176 ( 3.432 6.336 5.149) 8.856 1.361 ( -1.211 -3.315 2.797) 4.504 1.361 ( -1.211 3.316 2.797) 4.504 1.524 ( 4.140 -2.100 4.736) 6.632 1.524 ( 4.140 2.100 4.736) 6.632 1.716 ( -3.587 -5.073 7.506) 9.744 1.716 ( -3.587 5.073 7.506) 9.744 1.773 ( -0.897 -2.404 -0.867) 2.708 1.773 ( -0.897 2.404 -0.867) 2.708 1.923 ( 2.183 -8.685 -1.048) 9.017 1.923 ( 2.183 8.685 -1.048) 9.017 1.974 ( 1.329 -3.092 3.433) 4.807 1.974 ( 1.329 3.092 3.433) 4.807 2.153 ( -3.728 -1.775 2.259) 4.707 2.153 ( -3.728 1.775 2.259) 4.707 2.249 ( 4.554 -3.136 1.165) 5.651 2.249 ( 4.554 3.136 1.165) 5.651 2.313 ( 0.610 -0.510 -3.100) 3.200 2.313 ( 0.610 0.510 -3.100) 3.200 2.562 ( -2.450 -1.513 5.032) 5.798 2.562 ( -2.450 1.513 5.032) 5.798 2.590 ( -1.465 -3.814 2.534) 4.808 2.590 ( -1.465 3.814 2.534) 4.808 2.690 ( -1.413 -5.799 -0.639) 6.003 2.690 ( -1.413 5.799 -0.639) 6.003 2.770 ( -4.099 -0.428 1.840) 4.514 2.770 ( -4.099 0.428 1.840) 4.514 2.962 ( 0.633 -3.191 6.987) 7.707 2.962 ( 0.633 3.191 6.987) 7.707 3.033 ( -1.091 -3.834 4.128) 5.739 3.033 ( -1.091 3.834 4.128) 5.739 3.130 ( 3.053 -3.440 2.354) 5.167 3.130 ( 3.053 3.440 2.354) 5.167 3.300 ( -0.452 -1.686 -0.679) 1.873 3.300 ( -0.452 1.686 -0.679) 1.873 3.441 ( 1.535 -4.074 -4.542) 6.291 3.441 ( 1.535 4.074 -4.542) 6.291 3.635 ( -0.504 -1.379 4.153) 4.405 3.635 ( -0.504 1.379 4.153) 4.405 3.800 ( 2.448 -1.586 0.798) 3.024 3.800 ( 2.448 1.586 0.798) 3.024 3.937 ( -0.932 -1.503 4.274) 4.626 3.937 ( -0.932 1.503 4.274) 4.626 4.125 ( -2.404 -2.950 2.445) 4.523 4.125 ( -2.404 2.950 2.445) 4.523 4.447 ( -1.549 -9.617 4.048) 10.549 4.447 ( -1.549 9.617 4.048) 10.549 4.513 ( 1.511 -3.470 0.812) 3.871 4.513 ( 1.511 3.470 0.812) 3.871 4.589 ( 0.309 -7.065 0.070) 7.072 4.589 ( 0.309 7.065 0.070) 7.072 4.745 ( 0.850 -2.534 2.180) 3.448 4.745 ( 0.850 2.534 2.180) 3.448 4.867 ( -4.062 -2.987 2.910) 5.822 4.867 ( -4.062 2.987 2.910) 5.822 5.008 ( 7.753 -4.562 -4.470) 10.045 5.008 ( 7.753 4.562 -4.470) 10.045 5.223 ( -4.451 -7.143 -0.065) 8.417 5.223 ( -4.451 7.143 -0.065) 8.417 5.642 ( 0.773 -4.506 4.018) 6.087 5.642 ( 0.773 4.506 4.018) 6.087 5.756 ( 3.134 -0.999 -2.967) 4.429 5.756 ( 3.134 0.999 -2.967) 4.429 5.891 ( -0.926 -1.309 0.649) 1.730 5.891 ( -0.926 1.309 0.649) 1.730 5.945 ( -3.054 -2.152 1.985) 4.230 5.945 ( -3.054 2.152 1.985) 4.230 6.385 ( -1.981 -1.262 10.749) 11.003 6.385 ( -1.981 1.262 10.749) 11.003 6.935 ( 1.227 -4.189 -5.658) 7.146 6.935 ( 1.227 4.189 -5.658) 7.146 7.074 ( -0.655 -4.248 2.642) 5.046 7.074 ( -0.655 4.248 2.642) 5.046 7.205 ( -0.016 -3.011 -1.728) 3.471 7.205 ( -0.016 3.011 -1.728) 3.471 7.360 ( 3.893 -1.689 -1.067) 4.376 7.360 ( 3.893 1.689 -1.067) 4.376 7.823 ( -1.519 -0.971 -9.276) 9.449 7.823 ( -1.519 0.971 -9.276) 9.449 8.072 ( 2.778 -2.344 -4.231) 5.578 8.072 ( 2.778 2.344 -4.231) 5.578 8.240 ( -0.860 -0.375 -6.064) 6.136 8.240 ( -0.860 0.375 -6.064) 6.136 8.315 ( 1.395 -2.781 -4.552) 5.513 8.315 ( 1.395 2.781 -4.552) 5.513 8.746 ( -0.400 -0.239 -1.182) 1.270 8.746 ( -0.400 0.239 -1.182) 1.270 9.526 ( 0.341 -4.374 -3.000) 5.315 9.526 ( 0.341 4.374 -3.000) 5.315 9.820 ( -0.524 -3.817 -2.164) 4.419 9.820 ( -0.524 3.817 -2.164) 4.419 10.257 ( -0.455 -4.736 -0.526) 4.786 10.257 ( -0.455 4.736 -0.526) 4.786 10.806 ( -0.025 -2.542 -3.736) 4.519 10.806 ( -0.025 2.542 -3.736) 4.519 11.107 ( 0.004 -3.246 0.033) 3.247 11.107 ( 0.004 3.246 0.033) 3.247 11.416 ( 4.632 -4.690 -7.765) 10.186 11.416 ( 4.632 4.690 -7.765) 10.186 11.494 ( -3.413 -2.975 2.011) 4.955 11.494 ( -3.413 2.975 2.011) 4.955 11.976 ( -0.027 -3.715 5.903) 6.974 11.976 ( -0.027 3.715 5.903) 6.974 12.098 ( 1.043 -2.396 -1.254) 2.898 12.098 ( 1.043 2.396 -1.254) 2.898 12.393 ( 0.279 -2.275 -0.952) 2.481 12.393 ( 0.279 2.275 -0.952) 2.481 12.789 ( 0.778 -4.094 -1.607) 4.467 12.789 ( 0.778 4.094 -1.607) 4.467 12.811 ( -0.675 -1.062 -0.750) 1.465 12.811 ( -0.675 1.062 -0.750) 1.465 13.071 ( -1.281 -6.105 3.492) 7.149 13.071 ( -1.281 6.105 3.492) 7.149 13.314 ( 0.967 -1.674 -7.790) 8.026 13.314 ( 0.967 1.674 -7.790) 8.026 13.905 ( -2.782 -2.061 6.801) 7.632 13.905 ( -2.782 2.061 6.801) 7.632 14.138 ( -1.410 -3.523 -2.348) 4.462 14.138 ( -1.410 3.523 -2.348) 4.462 14.635 ( 1.497 -0.885 2.893) 3.375 14.635 ( 1.497 0.885 2.893) 3.375 14.719 ( 1.933 -1.580 1.555) 2.941 14.719 ( 1.933 1.580 1.555) 2.941 21.479 ( -0.121 -0.766 0.640) 1.006 21.479 ( -0.121 0.766 0.640) 1.006 21.764 ( 1.957 -3.845 -0.142) 4.317 21.764 ( 1.957 3.845 -0.142) 4.317 21.968 ( -0.142 -2.867 -4.966) 5.736 21.968 ( -0.142 2.867 -4.966) 5.736 22.208 ( -1.072 -4.685 -3.802) 6.128 22.208 ( -1.072 4.685 -3.802) 6.128 22.551 ( 4.053 -1.763 -0.505) 4.449 22.551 ( 4.053 1.763 -0.505) 4.449 22.709 ( 0.135 -0.279 -0.472) 0.565 22.709 ( 0.135 0.279 -0.472) 0.565 22.848 ( 5.126 -0.943 -1.861) 5.535 22.848 ( 5.126 0.943 -1.861) 5.535 23.097 ( -4.355 -0.242 1.155) 4.512 23.097 ( -4.355 0.242 1.155) 4.512 23.240 ( -2.961 -2.126 -3.209) 4.856 23.240 ( -2.961 2.126 -3.209) 4.856 23.663 ( -0.573 -1.311 3.752) 4.016 23.663 ( -0.573 1.311 3.752) 4.016 23.965 ( -0.215 -0.444 5.558) 5.580 23.965 ( -0.215 0.444 5.558) 5.580 24.212 ( 0.147 -4.477 3.526) 5.701 24.212 ( 0.147 4.477 3.526) 5.701 24.481 ( -0.486 -1.151 1.292) 1.797 24.481 ( -0.486 1.151 1.292) 1.797 24.560 ( -2.409 -3.503 0.960) 4.359 24.560 ( -2.409 3.503 0.960) 4.359 24.875 ( 0.240 -0.909 1.140) 1.478 24.875 ( 0.240 0.909 1.140) 1.478 25.017 ( 0.358 -2.613 -2.218) 3.446 25.017 ( 0.358 2.613 -2.218) 3.446 ======================= Grid point 91 (53/63) ======================= q-point: (-0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -2.093 -0.842 4.259) 4.820 1.210 ( -2.093 0.842 4.259) 4.820 1.372 ( 1.522 -2.456 3.264) 4.360 1.372 ( 1.522 2.456 3.264) 4.360 1.568 ( -4.755 -8.919 2.385) 10.385 1.568 ( -4.755 8.919 2.385) 10.385 1.656 ( 1.954 -2.826 3.019) 4.574 1.656 ( 1.954 2.826 3.019) 4.574 1.780 ( -2.322 -3.321 5.179) 6.576 1.780 ( -2.322 3.321 5.179) 6.576 1.874 ( -2.072 -6.062 1.431) 6.565 1.874 ( -2.072 6.062 1.431) 6.565 2.025 ( -5.267 -1.340 -0.733) 5.484 2.025 ( -5.266 1.340 -0.733) 5.484 2.107 ( 4.776 -1.608 3.759) 6.287 2.107 ( 4.776 1.608 3.759) 6.287 2.242 ( -6.835 -7.333 0.353) 10.031 2.242 ( -6.835 7.333 0.353) 10.031 2.339 ( 2.577 -2.776 -2.227) 4.394 2.339 ( 2.577 2.776 -2.227) 4.394 2.543 ( 1.126 -2.639 4.777) 5.572 2.543 ( 1.126 2.639 4.777) 5.572 2.595 ( 1.214 -3.723 2.121) 4.454 2.595 ( 1.214 3.723 2.121) 4.454 2.680 ( -0.117 -0.660 0.746) 1.003 2.680 ( -0.117 0.660 0.746) 1.003 2.779 ( 3.589 -2.241 2.119) 4.732 2.779 ( 3.589 2.241 2.119) 4.732 2.989 ( -0.240 -2.030 5.602) 5.963 2.989 ( -0.240 2.030 5.602) 5.963 3.039 ( 1.241 -2.170 1.843) 3.106 3.039 ( 1.241 2.170 1.843) 3.106 3.186 ( -0.822 -4.110 5.396) 6.833 3.186 ( -0.822 4.110 5.396) 6.833 3.279 ( -1.615 -2.865 0.279) 3.301 3.279 ( -1.615 2.865 0.279) 3.301 3.412 ( -1.335 -4.970 -3.618) 6.290 3.412 ( -1.335 4.970 -3.618) 6.290 3.656 ( 1.422 -3.972 2.447) 4.877 3.656 ( 1.422 3.972 2.447) 4.877 3.785 ( -3.286 -2.691 0.004) 4.247 3.785 ( -3.286 2.691 0.004) 4.247 3.984 ( 3.613 -3.377 1.577) 5.191 3.984 ( 3.613 3.377 1.577) 5.191 4.109 ( -0.200 -2.898 4.713) 5.536 4.109 ( -0.200 2.898 4.713) 5.536 4.369 ( -4.675 -7.624 3.551) 9.622 4.369 ( -4.675 7.624 3.551) 9.622 4.546 ( -0.632 -6.121 0.370) 6.165 4.546 ( -0.632 6.121 0.370) 6.165 4.609 ( -0.785 -2.662 3.012) 4.096 4.609 ( -0.785 2.662 3.012) 4.096 4.670 ( -7.356 -1.983 2.406) 7.989 4.670 ( -7.356 1.983 2.406) 7.989 4.820 ( 2.619 -7.174 1.579) 7.799 4.820 ( 2.619 7.174 1.579) 7.799 5.123 ( 0.432 -3.872 -4.837) 6.211 5.123 ( 0.432 3.872 -4.837) 6.211 5.248 ( 7.441 -1.481 -0.451) 7.601 5.248 ( 7.441 1.481 -0.451) 7.601 5.614 ( -3.984 -2.853 1.444) 5.108 5.614 ( -3.984 2.853 1.444) 5.108 5.743 ( -3.802 -3.537 2.407) 5.723 5.743 ( -3.802 3.537 2.407) 5.723 5.842 ( -1.297 -0.435 2.653) 2.985 5.842 ( -1.297 0.435 2.653) 2.985 5.955 ( 1.942 -0.465 -0.907) 2.193 5.955 ( 1.942 0.465 -0.907) 2.193 6.410 ( 0.927 -1.929 9.592) 9.827 6.410 ( 0.927 1.929 9.592) 9.827 6.920 ( -1.182 -3.053 -3.920) 5.107 6.920 ( -1.182 3.053 -3.920) 5.107 7.098 ( 1.855 -4.183 2.413) 5.173 7.098 ( 1.855 4.183 2.413) 5.173 7.193 ( 0.124 -1.162 -3.217) 3.422 7.193 ( 0.124 1.162 -3.217) 3.422 7.425 ( 1.186 -2.736 -2.310) 3.772 7.425 ( 1.186 2.736 -2.310) 3.772 7.786 ( 1.426 -0.746 -9.015) 9.158 7.786 ( 1.426 0.746 -9.015) 9.158 8.112 ( 1.036 -1.856 -1.524) 2.615 8.112 ( 1.036 1.856 -1.524) 2.615 8.199 ( -0.058 -2.311 -9.390) 9.670 8.199 ( -0.058 2.311 -9.390) 9.670 8.325 ( 0.755 -3.420 -4.033) 5.342 8.325 ( 0.755 3.420 -4.033) 5.342 8.742 ( 0.360 -0.563 -0.651) 0.933 8.742 ( 0.360 0.563 -0.651) 0.933 9.510 ( -0.820 -3.321 -2.358) 4.155 9.510 ( -0.820 3.321 -2.358) 4.155 9.822 ( 1.285 -4.872 -2.306) 5.542 9.822 ( 1.285 4.872 -2.306) 5.542 10.254 ( 0.364 -5.223 -0.512) 5.261 10.254 ( 0.364 5.223 -0.512) 5.261 10.812 ( 1.679 -3.577 -3.504) 5.282 10.812 ( 1.679 3.577 -3.504) 5.282 11.089 ( -1.488 -5.077 0.044) 5.291 11.089 ( -1.488 5.077 0.044) 5.291 11.306 ( -6.148 -1.834 -1.963) 6.709 11.306 ( -6.148 1.834 -1.963) 6.709 11.619 ( 7.993 -3.571 -4.323) 9.763 11.619 ( 7.993 3.571 -4.323) 9.763 11.970 ( -2.183 -4.253 4.766) 6.751 11.970 ( -2.183 4.253 4.766) 6.751 12.132 ( 2.315 -2.423 -0.935) 3.479 12.132 ( 2.315 2.423 -0.935) 3.479 12.398 ( 0.027 -3.559 -1.478) 3.854 12.398 ( 0.027 3.559 -1.478) 3.854 12.777 ( -0.275 -4.471 -0.989) 4.588 12.777 ( -0.275 4.471 -0.989) 4.588 12.820 ( 0.768 -0.252 -0.486) 0.943 12.820 ( 0.768 0.252 -0.486) 0.943 13.031 ( -2.866 -3.334 3.661) 5.721 13.031 ( -2.866 3.334 3.661) 5.721 13.302 ( -0.105 -3.483 -6.343) 7.237 13.302 ( -0.105 3.483 -6.343) 7.237 13.917 ( 2.028 -2.196 6.126) 6.816 13.917 ( 2.028 2.196 6.126) 6.816 14.151 ( 3.087 -2.969 -2.827) 5.132 14.151 ( 3.087 2.969 -2.827) 5.132 14.637 ( -2.066 -1.071 2.806) 3.645 14.637 ( -2.066 1.071 2.806) 3.645 14.722 ( -2.293 -2.577 1.284) 3.681 14.722 ( -2.293 2.577 1.284) 3.681 21.482 ( 0.133 -1.252 0.642) 1.413 21.482 ( 0.133 1.252 0.642) 1.413 21.806 ( 1.806 -2.946 -0.700) 3.526 21.806 ( 1.806 2.946 -0.700) 3.526 21.929 ( -1.471 -4.254 -5.110) 6.810 21.929 ( -1.471 4.254 -5.110) 6.810 22.191 ( 0.397 -1.844 -2.717) 3.308 22.191 ( 0.397 1.844 -2.717) 3.308 22.584 ( -2.115 -0.189 -1.430) 2.560 22.584 ( -2.115 0.189 -1.430) 2.560 22.705 ( -0.157 -0.752 -0.192) 0.792 22.705 ( -0.157 0.752 -0.192) 0.792 22.876 ( -2.310 -1.006 -3.645) 4.431 22.876 ( -2.310 1.006 -3.645) 4.431 23.060 ( 1.787 -1.415 2.462) 3.355 23.060 ( 1.787 1.415 2.462) 3.355 23.230 ( 3.177 -0.675 -2.533) 4.119 23.230 ( 3.177 0.675 -2.533) 4.119 23.669 ( -0.354 -2.457 3.309) 4.136 23.669 ( -0.354 2.457 3.309) 4.136 24.008 ( 2.550 -2.433 4.428) 5.659 24.008 ( 2.550 2.433 4.428) 5.659 24.196 ( -2.254 -1.695 3.987) 4.884 24.196 ( -2.254 1.695 3.987) 4.884 24.490 ( -1.656 -4.578 1.327) 5.046 24.490 ( -1.656 4.578 1.327) 5.046 24.523 ( 0.952 -2.109 2.129) 3.144 24.523 ( 0.952 2.109 2.129) 3.144 24.878 ( -0.259 -1.731 0.683) 1.879 24.878 ( -0.259 1.731 0.683) 1.879 25.017 ( 0.251 -0.836 -1.974) 2.159 25.017 ( 0.251 0.836 -1.974) 2.159 ======================= Grid point 93 (54/63) ======================= q-point: (-0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -2.896 -7.120 5.000) 9.170 1.169 ( -2.896 7.120 5.000) 9.170 1.351 ( -5.248 -6.313 6.036) 10.190 1.351 ( -5.248 6.313 6.036) 10.190 1.485 ( 0.811 -6.154 -1.777) 6.456 1.485 ( 0.811 6.154 -1.777) 6.456 1.689 ( -7.967 -1.205 4.105) 9.043 1.689 ( -7.967 1.205 4.105) 9.043 1.721 ( -0.849 -2.204 3.726) 4.411 1.721 ( -0.849 2.204 3.726) 4.411 1.809 ( -2.172 -1.379 -1.971) 3.242 1.809 ( -2.172 1.379 -1.971) 3.242 1.970 ( 0.679 -5.469 0.094) 5.512 1.970 ( 0.679 5.469 0.094) 5.512 2.052 ( -3.449 -3.490 0.806) 4.973 2.052 ( -3.449 3.490 0.806) 4.973 2.297 ( 6.275 -2.824 3.938) 7.928 2.297 ( 6.275 2.824 3.938) 7.928 2.354 ( 0.321 -2.338 0.290) 2.377 2.354 ( 0.321 2.338 0.290) 2.377 2.597 ( 0.825 -1.632 5.088) 5.407 2.597 ( 0.825 1.632 5.088) 5.407 2.666 ( 0.349 -8.588 4.001) 9.481 2.666 ( 0.349 8.588 4.001) 9.481 2.702 ( 3.509 -3.502 4.706) 6.836 2.702 ( 3.509 3.502 4.706) 6.836 2.811 ( -0.656 -3.829 2.020) 4.379 2.811 ( -0.656 3.829 2.020) 4.379 2.965 ( -4.022 -5.829 4.530) 8.407 2.965 ( -4.022 5.829 4.530) 8.407 3.086 ( 0.476 -2.252 2.464) 3.372 3.086 ( 0.476 2.252 2.464) 3.372 3.136 ( -2.197 -5.297 4.487) 7.281 3.136 ( -2.197 5.297 4.487) 7.281 3.292 ( 3.573 -1.356 -0.680) 3.881 3.292 ( 3.573 1.356 -0.680) 3.881 3.403 ( 0.913 -1.167 -4.783) 5.007 3.403 ( 0.913 1.167 -4.783) 5.007 3.622 ( -3.058 -2.271 -3.910) 5.459 3.622 ( -3.058 2.271 -3.910) 5.459 3.789 ( 1.586 -1.542 5.548) 5.973 3.789 ( 1.586 1.542 5.548) 5.973 4.031 ( -0.950 -6.499 0.961) 6.638 4.031 ( -0.950 6.499 0.961) 6.638 4.105 ( -0.951 -3.382 5.156) 6.240 4.105 ( -0.951 3.382 5.156) 6.240 4.260 ( -6.409 -5.970 3.676) 9.499 4.260 ( -6.409 5.970 3.676) 9.499 4.445 ( -6.636 -2.797 2.882) 7.757 4.445 ( -6.636 2.797 2.882) 7.757 4.597 ( 0.237 -2.695 4.042) 4.864 4.597 ( 0.237 2.695 4.042) 4.864 4.633 ( 2.889 -4.881 -0.474) 5.692 4.633 ( 2.889 4.881 -0.474) 5.692 4.904 ( 2.961 -8.241 -2.871) 9.215 4.904 ( 2.961 8.241 -2.871) 9.215 5.117 ( 0.362 -1.392 -3.536) 3.818 5.117 ( 0.362 1.392 -3.536) 3.818 5.328 ( -0.631 -1.609 0.324) 1.758 5.328 ( -0.631 1.609 0.324) 1.758 5.569 ( 1.226 -0.914 -0.264) 1.552 5.569 ( 1.226 0.914 -0.264) 1.552 5.662 ( -3.898 -5.121 3.310) 7.237 5.662 ( -3.898 5.121 3.310) 7.237 5.844 ( -0.229 -2.513 1.639) 3.009 5.844 ( -0.229 2.513 1.639) 3.009 5.989 ( 1.239 -2.019 1.603) 2.861 5.989 ( 1.239 2.019 1.603) 2.861 6.460 ( 0.551 -1.113 8.349) 8.441 6.460 ( 0.551 1.113 8.349) 8.441 6.872 ( -2.039 -2.885 -0.922) 3.651 6.872 ( -2.039 2.885 -0.922) 3.651 7.137 ( 0.739 -3.572 0.968) 3.774 7.137 ( 0.739 3.572 0.968) 3.774 7.205 ( 1.679 -3.281 -2.927) 4.706 7.205 ( 1.679 3.281 -2.927) 4.706 7.394 ( -2.292 -3.024 -3.306) 5.032 7.394 ( -2.292 3.024 -3.306) 5.032 7.823 ( 3.749 -2.459 -8.028) 9.195 7.823 ( 3.749 2.459 -8.028) 9.195 8.089 ( -1.658 -1.116 -4.209) 4.659 8.089 ( -1.658 1.116 -4.209) 4.659 8.195 ( 1.700 -3.139 -7.692) 8.480 8.195 ( 1.700 3.139 -7.692) 8.480 8.329 ( 0.649 -2.276 -3.263) 4.031 8.329 ( 0.649 2.276 -3.263) 4.031 8.755 ( 0.991 -1.590 -1.134) 2.191 8.755 ( 0.991 1.590 -1.134) 2.191 9.491 ( -0.189 -2.973 -1.245) 3.229 9.491 ( -0.189 2.973 -1.245) 3.229 9.847 ( 1.341 -4.974 -1.979) 5.519 9.847 ( 1.341 4.974 -1.979) 5.519 10.267 ( 0.871 -5.225 -0.619) 5.334 10.267 ( 0.871 5.225 -0.619) 5.334 10.850 ( 2.413 -4.696 -3.124) 6.135 10.850 ( 2.413 4.696 -3.124) 6.135 11.061 ( -0.140 -5.100 -2.086) 5.512 11.061 ( -0.140 5.100 -2.086) 5.512 11.185 ( -4.502 -0.169 -1.333) 4.699 11.185 ( -4.502 0.169 -1.333) 4.699 11.754 ( 5.155 -2.279 -3.050) 6.409 11.754 ( 5.155 2.279 -3.050) 6.409 11.914 ( -3.819 -3.863 3.813) 6.637 11.914 ( -3.819 3.863 3.813) 6.637 12.205 ( 4.623 -0.871 -1.723) 5.010 12.205 ( 4.623 0.871 -1.723) 5.010 12.356 ( -3.435 -4.041 -1.677) 5.562 12.356 ( -3.435 4.041 -1.677) 5.562 12.782 ( 0.105 -1.233 0.355) 1.287 12.782 ( 0.105 1.233 0.355) 1.287 12.831 ( 0.626 -1.069 -0.318) 1.279 12.831 ( 0.626 1.069 -0.318) 1.279 12.989 ( -1.463 -1.527 2.192) 3.045 12.989 ( -1.463 1.527 2.192) 3.045 13.282 ( 0.427 -3.719 -5.665) 6.790 13.282 ( 0.427 3.719 -5.665) 6.790 14.027 ( 6.093 -0.557 4.941) 7.864 14.027 ( 6.093 0.557 4.941) 7.864 14.219 ( 2.555 -2.158 -1.017) 3.496 14.219 ( 2.555 2.158 -1.017) 3.496 14.574 ( -3.761 -0.757 1.905) 4.283 14.574 ( -3.761 0.757 1.905) 4.283 14.638 ( -5.340 -1.186 2.466) 6.001 14.638 ( -5.340 1.186 2.466) 6.001 21.487 ( 0.163 -1.880 0.708) 2.016 21.487 ( 0.163 1.880 0.708) 2.016 21.797 ( -2.118 -2.213 -4.119) 5.134 21.797 ( -2.118 2.213 -4.119) 5.134 21.925 ( 2.361 -7.461 -2.198) 8.129 21.925 ( 2.361 7.461 -2.198) 8.129 22.205 ( 1.533 -2.478 -1.798) 3.424 22.205 ( 1.533 2.478 -1.798) 3.424 22.485 ( -4.348 -1.384 -3.045) 5.485 22.485 ( -4.348 1.384 -3.045) 5.485 22.686 ( -2.796 -1.000 -2.355) 3.790 22.686 ( -2.796 1.000 -2.355) 3.790 22.781 ( -2.549 -2.030 -1.902) 3.773 22.781 ( -2.549 2.030 -1.902) 3.773 23.180 ( 5.945 -0.184 2.068) 6.297 23.180 ( 5.945 0.184 2.068) 6.297 23.300 ( 3.021 -0.618 -1.575) 3.463 23.300 ( 3.021 0.618 -1.575) 3.463 23.664 ( -0.811 -3.604 3.494) 5.084 23.664 ( -0.811 3.604 3.494) 5.084 24.077 ( 1.688 -2.944 4.168) 5.375 24.077 ( 1.688 2.944 4.168) 5.375 24.152 ( -3.112 -1.943 5.737) 6.809 24.152 ( -3.112 1.943 5.737) 6.809 24.435 ( -1.376 -4.636 -3.139) 5.765 24.435 ( -1.376 4.636 -3.139) 5.765 24.604 ( 4.057 -3.388 4.954) 7.244 24.604 ( 4.057 3.388 4.954) 7.244 24.874 ( -0.192 -2.727 0.446) 2.770 24.874 ( -0.192 2.727 0.446) 2.770 25.006 ( -0.866 -1.321 -1.584) 2.237 25.006 ( -0.866 1.321 -1.584) 2.237 ======================= Grid point 100 (55/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -1.681 0.000 -9.003) 9.159 1.158 ( 1.681 0.000 9.003) 9.159 1.364 ( -3.133 0.000 -5.044) 5.937 1.364 ( 3.133 0.000 5.044) 5.937 1.460 ( -1.689 0.000 -6.330) 6.552 1.460 ( 1.689 0.000 6.330) 6.552 1.566 ( -1.400 0.000 -4.713) 4.916 1.566 ( 1.400 0.000 4.713) 4.916 1.712 ( 0.055 0.000 -5.239) 5.239 1.712 ( -0.055 0.000 5.239) 5.239 1.899 ( -3.499 0.000 -0.057) 3.499 1.899 ( 3.499 0.000 0.057) 3.499 2.045 ( -1.490 0.000 -1.448) 2.078 2.045 ( 1.490 0.000 1.448) 2.078 2.098 ( -2.598 0.000 -1.676) 3.092 2.098 ( 2.598 0.000 1.676) 3.092 2.359 ( -0.249 0.000 -4.861) 4.867 2.359 ( 0.249 0.000 4.861) 4.867 2.419 ( -2.776 0.000 0.573) 2.834 2.419 ( 2.776 0.000 -0.573) 2.834 2.493 ( -6.161 0.000 0.822) 6.215 2.493 ( 6.161 0.000 -0.822) 6.215 2.628 ( 3.221 0.000 -2.705) 4.206 2.628 ( -3.221 0.000 2.705) 4.206 2.738 ( -0.281 0.000 -0.883) 0.927 2.738 ( 0.281 0.000 0.883) 0.927 2.827 ( 2.196 0.000 -0.900) 2.373 2.827 ( -2.196 0.000 0.900) 2.373 3.066 ( 6.346 0.000 -6.027) 8.752 3.066 ( -6.346 0.000 6.027) 8.752 3.127 ( 0.654 0.000 -3.481) 3.542 3.127 ( -0.654 0.000 3.481) 3.542 3.318 ( 2.875 0.000 -1.441) 3.216 3.318 ( -2.875 0.000 1.441) 3.216 3.343 ( 1.248 0.000 -4.916) 5.072 3.343 ( -1.248 0.000 4.916) 5.072 3.423 ( -2.652 0.000 -2.320) 3.524 3.423 ( 2.652 0.000 2.320) 3.524 3.499 ( -3.458 0.000 -0.501) 3.494 3.499 ( 3.458 0.000 0.501) 3.494 3.782 ( -0.600 0.000 -0.925) 1.102 3.782 ( 0.600 0.000 0.925) 1.102 3.979 ( 3.947 0.000 -2.898) 4.896 3.979 ( -3.947 0.000 2.898) 4.896 4.075 ( -3.752 0.000 1.056) 3.898 4.075 ( 3.752 0.000 -1.056) 3.898 4.278 ( 2.376 0.000 -1.234) 2.677 4.278 ( -2.376 0.000 1.234) 2.677 4.374 ( -0.411 0.000 -4.822) 4.840 4.374 ( 0.411 0.000 4.822) 4.840 4.641 ( -2.145 0.000 -0.906) 2.328 4.641 ( 2.145 0.000 0.906) 2.328 4.798 ( -3.007 0.000 -3.118) 4.332 4.798 ( 3.007 0.000 3.118) 4.332 4.897 ( 1.469 0.000 -0.727) 1.639 4.897 ( -1.469 0.000 0.727) 1.639 5.108 ( -2.617 0.000 -2.427) 3.569 5.108 ( 2.617 0.000 2.427) 3.569 5.275 ( -3.395 0.000 -3.876) 5.153 5.275 ( 3.395 0.000 3.876) 5.153 5.548 ( 2.128 0.000 -4.052) 4.576 5.548 ( -2.128 0.000 4.052) 4.576 5.788 ( 1.781 0.000 -0.687) 1.909 5.788 ( -1.781 0.000 0.687) 1.909 5.890 ( -2.843 0.000 -5.060) 5.804 5.890 ( 2.843 0.000 5.060) 5.804 5.969 ( -0.966 0.000 -1.136) 1.491 5.969 ( 0.966 0.000 1.136) 1.491 6.580 ( -2.358 0.000 -2.928) 3.759 6.580 ( 2.358 0.000 2.928) 3.759 6.795 ( 0.982 0.000 -5.809) 5.892 6.795 ( -0.982 0.000 5.809) 5.892 6.991 ( -2.230 0.000 -3.236) 3.930 6.991 ( 2.230 0.000 3.236) 3.930 7.255 ( 2.621 0.000 -1.713) 3.131 7.255 ( -2.621 0.000 1.713) 3.131 7.338 ( -0.102 0.000 -0.860) 0.866 7.338 ( 0.102 0.000 0.860) 0.866 7.815 ( -2.042 0.000 -7.483) 7.757 7.815 ( 2.042 0.000 7.483) 7.757 7.941 ( -0.445 0.000 -2.054) 2.102 7.941 ( 0.445 0.000 2.054) 2.102 8.220 ( 1.455 0.000 -6.817) 6.971 8.220 ( -1.455 0.000 6.817) 6.971 8.250 ( -1.054 0.000 -1.363) 1.723 8.250 ( 1.054 0.000 1.363) 1.723 8.760 ( -1.149 0.000 -1.991) 2.299 8.760 ( 1.149 0.000 1.991) 2.299 9.420 ( 2.808 0.000 -4.866) 5.619 9.420 ( -2.808 0.000 4.866) 5.619 9.839 ( -0.099 0.000 -4.836) 4.837 9.839 ( 0.099 0.000 4.836) 4.837 10.360 ( 1.030 0.000 -7.053) 7.128 10.360 ( -1.030 0.000 7.053) 7.128 10.764 ( 0.134 0.000 -3.896) 3.898 10.764 ( -0.134 0.000 3.896) 3.898 11.052 ( 3.501 0.000 -1.768) 3.922 11.052 ( -3.501 0.000 1.768) 3.922 11.162 ( -0.983 0.000 -4.460) 4.567 11.162 ( 0.983 0.000 4.460) 4.567 11.769 ( 5.508 0.000 -3.028) 6.285 11.769 ( -5.508 0.000 3.028) 6.285 12.028 ( -3.070 0.000 -1.143) 3.276 12.028 ( 3.070 0.000 1.143) 3.276 12.194 ( 5.050 0.000 -3.936) 6.403 12.194 ( -5.050 0.000 3.936) 6.403 12.244 ( -6.567 0.000 -1.164) 6.669 12.244 ( 6.567 0.000 1.164) 6.669 12.778 ( 2.576 0.000 -3.305) 4.190 12.778 ( -2.576 0.000 3.305) 4.190 12.815 ( 0.609 0.000 -2.480) 2.554 12.815 ( -0.609 0.000 2.480) 2.554 13.044 ( 2.009 0.000 -4.339) 4.781 13.044 ( -2.009 0.000 4.339) 4.781 13.219 ( -3.939 0.000 -5.072) 6.422 13.219 ( 3.939 0.000 5.072) 6.422 14.163 ( 2.738 0.000 -3.800) 4.684 14.163 ( -2.738 0.000 3.800) 4.684 14.232 ( -3.262 0.000 -0.706) 3.337 14.232 ( 3.262 0.000 0.706) 3.337 14.548 ( 3.527 0.000 -1.894) 4.004 14.548 ( -3.527 0.000 1.894) 4.004 14.597 ( 0.117 0.000 -0.842) 0.850 14.597 ( -0.117 0.000 0.842) 0.850 21.450 ( -0.182 0.000 -1.382) 1.394 21.450 ( 0.182 0.000 1.382) 1.394 21.781 ( -1.554 0.000 -0.199) 1.566 21.781 ( 1.554 0.000 0.199) 1.566 21.904 ( -5.984 0.000 -7.021) 9.225 21.904 ( 5.984 0.000 7.021) 9.225 22.181 ( -3.769 0.000 1.006) 3.900 22.181 ( 3.769 0.000 -1.006) 3.900 22.427 ( -3.780 0.000 -1.277) 3.990 22.427 ( 3.780 0.000 1.277) 3.990 22.619 ( -0.518 0.000 -1.371) 1.465 22.619 ( 0.518 0.000 1.371) 1.465 22.685 ( -1.227 0.000 -0.117) 1.233 22.685 ( 1.227 0.000 0.117) 1.233 23.241 ( 0.595 0.000 -1.275) 1.407 23.241 ( -0.595 0.000 1.275) 1.407 23.328 ( 0.182 0.000 -1.119) 1.134 23.328 ( -0.182 0.000 1.119) 1.134 23.816 ( -4.920 0.000 -1.692) 5.202 23.816 ( 4.920 0.000 1.692) 5.202 24.039 ( 0.939 0.000 -3.666) 3.784 24.039 ( -0.939 0.000 3.666) 3.784 24.302 ( -0.833 0.000 -9.246) 9.283 24.302 ( 0.833 0.000 9.246) 9.283 24.326 ( 4.978 0.000 -6.623) 8.285 24.326 ( -4.979 0.000 6.623) 8.285 24.656 ( -2.658 0.000 -6.549) 7.068 24.656 ( 2.658 0.000 6.549) 7.068 24.859 ( 0.234 0.000 -3.641) 3.649 24.859 ( -0.234 0.000 3.641) 3.649 25.033 ( -3.218 0.000 0.072) 3.219 25.033 ( 3.218 0.000 -0.072) 3.219 ======================= Grid point 102 (56/63) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -1.232 0.000 -6.847) 6.957 1.181 ( -0.516 0.000 1.830) 1.901 1.306 ( -0.534 0.000 -4.918) 4.947 1.418 ( -2.616 0.000 5.244) 5.860 1.457 ( -1.331 0.000 3.816) 4.041 1.499 ( -2.251 0.000 2.756) 3.558 1.572 ( 9.147 0.000 -7.822) 12.035 1.655 ( 5.604 0.000 5.853) 8.103 1.705 ( 2.191 0.000 -6.228) 6.602 1.707 ( 0.686 0.000 2.575) 2.665 1.860 ( 0.435 0.000 -0.014) 0.436 1.980 ( 2.672 0.000 -3.246) 4.204 2.046 ( -3.443 0.000 -5.380) 6.388 2.062 ( 2.080 0.000 2.138) 2.983 2.124 ( 2.578 0.000 2.558) 3.632 2.128 ( 2.807 0.000 -3.928) 4.828 2.284 ( -6.717 0.000 3.023) 7.366 2.392 ( -4.722 0.000 -0.670) 4.770 2.402 ( 5.261 0.000 -3.385) 6.256 2.422 ( 3.127 0.000 1.536) 3.484 2.461 ( -1.071 0.000 4.600) 4.723 2.576 ( -0.258 0.000 0.455) 0.523 2.581 ( -3.389 0.000 2.986) 4.517 2.656 ( 2.327 0.000 -2.340) 3.300 2.735 ( 0.447 0.000 -0.932) 1.034 2.754 ( 1.195 0.000 -1.182) 1.681 2.810 ( 3.488 0.000 4.216) 5.471 2.857 ( 0.725 0.000 -0.866) 1.130 3.007 ( -4.158 0.000 7.823) 8.859 3.086 ( -0.739 0.000 -0.223) 0.772 3.121 ( 1.113 0.000 1.434) 1.815 3.171 ( -1.514 0.000 4.587) 4.830 3.206 ( -3.557 0.000 -2.614) 4.415 3.301 ( -3.529 0.000 1.820) 3.971 3.306 ( -2.049 0.000 -5.270) 5.655 3.354 ( -2.386 0.000 -1.431) 2.782 3.421 ( 5.948 0.000 -4.512) 7.466 3.422 ( -0.199 0.000 3.261) 3.267 3.545 ( 4.545 0.000 2.635) 5.253 3.546 ( 2.791 0.000 -0.739) 2.887 3.789 ( -0.561 0.000 -0.104) 0.570 3.808 ( 0.230 0.000 1.540) 1.557 3.922 ( -1.152 0.000 1.993) 2.303 3.983 ( -4.322 0.000 0.953) 4.426 3.997 ( -3.154 0.000 0.864) 3.270 4.117 ( -0.446 0.000 1.247) 1.324 4.293 ( 3.305 0.000 -6.156) 6.987 4.342 ( 2.268 0.000 -5.274) 5.741 4.446 ( 7.131 0.000 -5.584) 9.057 4.472 ( 6.315 0.000 2.387) 6.751 4.608 ( 2.396 0.000 -2.397) 3.389 4.650 ( 0.415 0.000 4.880) 4.897 4.703 ( -4.192 0.000 0.831) 4.273 4.763 ( -7.020 0.000 -1.597) 7.199 4.904 ( -1.796 0.000 -0.346) 1.829 4.941 ( 5.922 0.000 -1.100) 6.023 5.040 ( -1.881 0.000 0.807) 2.046 5.134 ( -0.451 0.000 4.749) 4.770 5.243 ( -1.372 0.000 1.129) 1.777 5.380 ( 3.419 0.000 1.958) 3.940 5.559 ( 3.317 0.000 -0.165) 3.321 5.606 ( 4.622 0.000 -4.693) 6.587 5.750 ( -1.818 0.000 -0.768) 1.973 5.813 ( -0.776 0.000 4.387) 4.456 5.827 ( -0.552 0.000 -6.186) 6.210 5.925 ( 0.208 0.000 -1.088) 1.108 5.973 ( 1.092 0.000 -1.141) 1.580 5.992 ( 0.737 0.000 -0.344) 0.813 6.524 ( -1.210 0.000 -4.649) 4.804 6.602 ( -2.929 0.000 8.983) 9.449 6.774 ( -3.120 0.000 11.017) 11.450 6.809 ( 3.066 0.000 -8.018) 8.584 6.912 ( -3.838 0.000 -1.203) 4.022 7.037 ( 0.893 0.000 3.139) 3.263 7.249 ( 2.729 0.000 -3.775) 4.659 7.302 ( 1.880 0.000 -1.640) 2.495 7.358 ( 1.597 0.000 0.439) 1.657 7.367 ( 1.312 0.000 2.253) 2.607 7.747 ( -2.124 0.000 -2.389) 3.197 7.860 ( -0.286 0.000 6.566) 6.572 7.911 ( -1.373 0.000 -1.388) 1.952 7.945 ( -0.331 0.000 1.509) 1.545 8.199 ( -0.633 0.000 -5.180) 5.219 8.203 ( -1.186 0.000 2.008) 2.332 8.267 ( 2.292 0.000 -4.116) 4.711 8.283 ( 0.694 0.000 3.464) 3.533 8.720 ( -1.510 0.000 -1.836) 2.378 8.767 ( -0.932 0.000 0.606) 1.111 9.382 ( -1.707 0.000 4.868) 5.159 9.455 ( 1.468 0.000 -5.102) 5.309 9.809 ( -0.981 0.000 -4.768) 4.868 9.837 ( -1.572 0.000 4.700) 4.956 10.335 ( -0.912 0.000 -6.691) 6.753 10.338 ( -2.532 0.000 6.215) 6.711 10.775 ( 1.726 0.000 -3.121) 3.566 10.794 ( 1.405 0.000 3.820) 4.070 11.053 ( 2.849 0.000 1.400) 3.174 11.131 ( 0.139 0.000 -6.237) 6.239 11.167 ( 2.543 0.000 5.128) 5.724 11.200 ( 5.886 0.000 -4.589) 7.463 11.615 ( -9.329 0.000 2.855) 9.756 11.807 ( -3.047 0.000 -0.595) 3.104 11.949 ( -2.214 0.000 -1.379) 2.608 12.049 ( -3.189 0.000 5.025) 5.952 12.132 ( -1.221 0.000 2.191) 2.508 12.143 ( -0.484 0.000 -1.037) 1.144 12.310 ( 6.340 0.000 -5.135) 8.159 12.381 ( 4.897 0.000 1.572) 5.143 12.725 ( -3.292 0.000 4.895) 5.899 12.793 ( -2.164 0.000 -1.789) 2.808 12.801 ( -0.905 0.000 1.909) 2.113 12.811 ( 0.550 0.000 0.665) 0.862 13.035 ( -0.027 0.000 4.524) 4.524 13.081 ( 2.522 0.000 -6.815) 7.266 13.174 ( 2.537 0.000 -7.758) 8.162 13.325 ( 3.685 0.000 2.448) 4.424 14.077 ( -6.401 0.000 3.915) 7.503 14.079 ( -8.100 0.000 -0.660) 8.127 14.177 ( -0.081 0.000 -4.551) 4.552 14.183 ( -5.087 0.000 4.274) 6.644 14.571 ( 2.178 0.000 1.257) 2.515 14.615 ( 1.158 0.000 0.277) 1.190 14.646 ( 5.024 0.000 -1.732) 5.315 14.675 ( 5.833 0.000 0.900) 5.902 21.451 ( 0.608 0.000 -0.681) 0.913 21.464 ( 0.438 0.000 2.307) 2.348 21.744 ( -1.581 0.000 -0.133) 1.586 21.782 ( -3.298 0.000 -4.392) 5.492 21.810 ( 1.208 0.000 -0.769) 1.431 22.020 ( -1.404 0.000 4.537) 4.749 22.130 ( 2.469 0.000 1.807) 3.060 22.250 ( 2.792 0.000 -3.073) 4.152 22.414 ( 3.366 0.000 -0.486) 3.401 22.526 ( 4.963 0.000 -1.408) 5.159 22.667 ( 0.654 0.000 -0.454) 0.796 22.677 ( 4.663 0.000 2.137) 5.129 22.689 ( 3.654 0.000 4.121) 5.507 22.717 ( 2.239 0.000 -1.238) 2.558 23.217 ( -1.891 0.000 2.126) 2.846 23.218 ( -3.016 0.000 -1.235) 3.259 23.281 ( -4.619 0.000 1.105) 4.749 23.292 ( -2.630 0.000 -3.391) 4.291 23.674 ( -5.289 0.000 -1.809) 5.589 23.840 ( -2.859 0.000 2.086) 3.539 24.050 ( 0.974 0.000 4.960) 5.055 24.051 ( 1.021 0.000 -3.721) 3.858 24.223 ( -6.073 0.000 8.056) 10.089 24.267 ( -0.395 0.000 -9.833) 9.841 24.391 ( 2.640 0.000 -5.298) 5.920 24.398 ( 5.162 0.000 5.678) 7.673 24.596 ( -0.413 0.000 -3.927) 3.949 24.679 ( -3.525 0.000 4.979) 6.100 24.861 ( 0.987 0.000 -3.586) 3.719 24.877 ( 0.682 0.000 3.757) 3.819 24.966 ( -1.531 0.000 -0.776) 1.717 25.066 ( -0.129 0.000 -1.322) 1.328 ======================= Grid point 103 (57/63) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 2.607 0.000 -5.103) 5.731 1.143 ( -3.128 0.000 1.540) 3.486 1.316 ( 2.583 0.000 -2.955) 3.924 1.371 ( -2.617 0.000 4.179) 4.931 1.445 ( -0.920 0.000 1.692) 1.926 1.448 ( -1.817 0.000 1.470) 2.337 1.717 ( 0.969 0.000 -4.197) 4.307 1.723 ( 1.343 0.000 0.334) 1.384 1.772 ( 7.550 0.000 -3.071) 8.151 1.781 ( 1.745 0.000 7.259) 7.466 1.937 ( 0.233 0.000 -4.884) 4.890 1.960 ( 5.003 0.000 4.210) 6.538 1.989 ( -0.865 0.000 -5.190) 5.262 2.101 ( -3.838 0.000 -4.936) 6.253 2.158 ( 1.597 0.000 -0.804) 1.788 2.166 ( -0.173 0.000 -4.530) 4.534 2.222 ( 0.281 0.000 6.444) 6.451 2.253 ( -3.341 0.000 4.613) 5.695 2.391 ( -3.062 0.000 -1.167) 3.277 2.427 ( -2.586 0.000 -1.221) 2.860 2.491 ( 2.749 0.000 7.193) 7.700 2.566 ( 0.457 0.000 -5.102) 5.122 2.593 ( 0.693 0.000 0.910) 1.144 2.648 ( -3.693 0.000 -0.973) 3.819 2.750 ( 0.531 0.000 -0.204) 0.569 2.761 ( 0.876 0.000 0.200) 0.898 2.872 ( 0.624 0.000 3.685) 3.737 2.882 ( 1.896 0.000 -1.123) 2.203 3.077 ( -1.273 0.000 5.354) 5.504 3.087 ( 0.733 0.000 -2.034) 2.162 3.131 ( 1.412 0.000 -0.326) 1.449 3.136 ( 8.971 0.000 6.541) 11.102 3.196 ( 2.166 0.000 -7.831) 8.125 3.223 ( -4.009 0.000 5.846) 7.089 3.260 ( -4.941 0.000 -0.478) 4.964 3.320 ( -1.524 0.000 -3.399) 3.725 3.427 ( -1.019 0.000 -4.085) 4.210 3.437 ( -0.083 0.000 4.020) 4.021 3.627 ( 1.596 0.000 3.819) 4.139 3.652 ( 3.064 0.000 -5.785) 6.546 3.751 ( -0.956 0.000 -0.000) 0.956 3.778 ( -3.222 0.000 -0.088) 3.223 3.919 ( -1.653 0.000 4.744) 5.024 3.925 ( -0.266 0.000 -1.185) 1.214 3.963 ( 4.302 0.000 0.139) 4.304 4.074 ( -4.242 0.000 3.761) 5.669 4.296 ( -1.270 0.000 -5.046) 5.203 4.312 ( -2.697 0.000 -3.150) 4.147 4.547 ( 2.888 0.000 -1.980) 3.502 4.559 ( 0.856 0.000 1.330) 1.582 4.647 ( 0.801 0.000 -8.003) 8.043 4.685 ( 0.789 0.000 0.053) 0.791 4.721 ( 2.601 0.000 2.194) 3.403 4.729 ( 1.848 0.000 6.099) 6.373 4.866 ( 3.627 0.000 0.131) 3.629 4.987 ( -2.775 0.000 -0.569) 2.832 5.046 ( 2.071 0.000 -1.328) 2.461 5.131 ( -4.973 0.000 2.035) 5.373 5.233 ( 5.370 0.000 2.943) 6.124 5.374 ( -4.771 0.000 1.456) 4.989 5.670 ( 5.680 0.000 -1.518) 5.880 5.714 ( 5.567 0.000 -4.358) 7.070 5.730 ( 0.424 0.000 -3.081) 3.110 5.778 ( -3.254 0.000 6.154) 6.961 5.814 ( 1.045 0.000 -4.049) 4.181 5.893 ( -3.983 0.000 -1.031) 4.114 5.984 ( 0.539 0.000 0.962) 1.103 5.996 ( -0.200 0.000 -0.491) 0.531 6.506 ( 1.710 0.000 -10.156) 10.299 6.540 ( -4.739 0.000 12.994) 13.831 6.754 ( -1.912 0.000 14.298) 14.425 6.789 ( -0.922 0.000 -13.957) 13.987 6.930 ( 4.729 0.000 0.137) 4.731 7.023 ( -3.180 0.000 1.830) 3.669 7.315 ( 3.521 0.000 -4.088) 5.395 7.334 ( 0.637 0.000 4.073) 4.122 7.380 ( -0.735 0.000 2.314) 2.428 7.381 ( 0.494 0.000 -4.014) 4.045 7.742 ( 1.782 0.000 3.778) 4.177 7.818 ( -3.275 0.000 -3.171) 4.558 7.915 ( 1.067 0.000 2.537) 2.752 7.939 ( -0.587 0.000 0.192) 0.618 8.176 ( -0.393 0.000 -1.548) 1.597 8.181 ( -0.979 0.000 0.032) 0.979 8.295 ( 1.508 0.000 -5.314) 5.524 8.299 ( -0.340 0.000 4.550) 4.563 8.703 ( 0.441 0.000 -0.271) 0.518 8.732 ( -1.906 0.000 -0.427) 1.953 9.390 ( 1.048 0.000 4.979) 5.088 9.440 ( -1.318 0.000 -5.153) 5.319 9.787 ( 0.701 0.000 -4.615) 4.668 9.808 ( -2.223 0.000 4.641) 5.146 10.303 ( 0.097 0.000 -5.909) 5.910 10.306 ( -1.829 0.000 5.704) 5.990 10.809 ( 1.944 0.000 -2.955) 3.538 10.824 ( -0.052 0.000 3.115) 3.116 11.113 ( 1.865 0.000 -1.819) 2.605 11.155 ( -2.524 0.000 4.179) 4.882 11.199 ( 8.272 0.000 -3.925) 9.156 11.377 ( 0.090 0.000 -3.538) 3.539 11.428 ( 0.788 0.000 2.132) 2.273 11.640 ( -10.691 0.000 2.709) 11.029 11.948 ( 1.758 0.000 -4.162) 4.518 11.985 ( -3.206 0.000 5.487) 6.355 12.138 ( 0.709 0.000 0.987) 1.215 12.150 ( 0.172 0.000 -1.123) 1.136 12.423 ( 4.837 0.000 -4.524) 6.623 12.454 ( 1.085 0.000 2.346) 2.585 12.682 ( -1.517 0.000 5.221) 5.436 12.717 ( -3.258 0.000 -2.436) 4.068 12.798 ( 0.358 0.000 0.274) 0.451 12.811 ( -0.700 0.000 1.183) 1.375 13.063 ( 0.716 0.000 6.727) 6.765 13.092 ( 0.654 0.000 -8.577) 8.602 13.264 ( 6.353 0.000 -5.391) 8.332 13.354 ( -2.050 0.000 2.200) 3.007 13.945 ( -3.054 0.000 -1.827) 3.559 13.954 ( -4.578 0.000 4.112) 6.154 14.130 ( -1.236 0.000 5.468) 5.605 14.147 ( -0.780 0.000 -5.477) 5.533 14.611 ( 1.404 0.000 0.301) 1.436 14.629 ( -0.122 0.000 0.145) 0.189 14.744 ( 3.454 0.000 -2.178) 4.083 14.761 ( 1.363 0.000 2.193) 2.582 21.467 ( 0.899 0.000 -1.114) 1.431 21.475 ( -0.234 0.000 2.252) 2.264 21.721 ( -0.671 0.000 1.216) 1.389 21.727 ( -0.758 0.000 -3.391) 3.475 21.847 ( 2.586 0.000 0.313) 2.605 21.928 ( -4.739 0.000 -0.237) 4.745 22.227 ( 2.947 0.000 3.462) 4.546 22.268 ( -0.042 0.000 -3.479) 3.479 22.537 ( 5.931 0.000 2.554) 6.457 22.604 ( 0.856 0.000 -1.027) 1.337 22.699 ( 2.760 0.000 0.807) 2.876 22.737 ( 1.380 0.000 -1.202) 1.830 22.793 ( 3.519 0.000 3.481) 4.950 22.805 ( 3.642 0.000 -1.421) 3.909 23.107 ( -4.063 0.000 -3.461) 5.338 23.148 ( -7.020 0.000 2.789) 7.553 23.186 ( -1.322 0.000 3.325) 3.578 23.212 ( -2.613 0.000 -4.643) 5.327 23.652 ( 3.300 0.000 -1.110) 3.482 23.751 ( -5.216 0.000 1.741) 5.499 24.064 ( 1.907 0.000 -4.956) 5.310 24.109 ( 0.904 0.000 7.283) 7.339 24.125 ( -3.043 0.000 6.346) 7.038 24.203 ( -2.621 0.000 -9.250) 9.615 24.445 ( 4.082 0.000 -1.286) 4.280 24.522 ( 3.963 0.000 2.895) 4.908 24.563 ( -6.282 0.000 2.289) 6.686 24.588 ( -0.469 0.000 -3.881) 3.909 24.876 ( 1.235 0.000 -2.796) 3.057 24.890 ( -0.617 0.000 3.042) 3.104 24.979 ( 1.890 0.000 1.267) 2.276 25.031 ( -2.199 0.000 -1.722) 2.793 ======================= Grid point 106 (58/63) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.361 2.319 -8.225) 8.553 1.179 ( -0.361 2.319 8.225) 8.553 1.363 ( -3.768 1.086 -4.499) 5.968 1.363 ( 3.768 1.086 4.499) 5.968 1.457 ( -0.332 -0.827 -4.692) 4.775 1.457 ( 0.332 -0.827 4.692) 4.775 1.578 ( -6.772 -2.190 -0.864) 7.170 1.578 ( 6.772 -2.190 0.864) 7.170 1.727 ( 1.628 3.306 -1.659) 4.041 1.727 ( -1.628 3.306 1.659) 4.041 1.848 ( -0.675 -4.763 -1.111) 4.937 1.848 ( 0.675 -4.763 1.111) 4.937 2.028 ( 0.791 -0.163 -1.746) 1.923 2.028 ( -0.791 -0.163 1.746) 1.923 2.097 ( -3.052 -0.835 -1.873) 3.676 2.097 ( 3.052 -0.835 1.873) 3.676 2.274 ( -2.501 -3.056 -4.194) 5.761 2.274 ( 2.501 -3.056 4.194) 5.761 2.505 ( -6.850 1.405 -0.711) 7.028 2.505 ( 6.850 1.405 0.711) 7.028 2.549 ( -4.011 6.632 -0.948) 7.808 2.549 ( 4.011 6.632 0.948) 7.808 2.633 ( 1.553 1.748 -2.810) 3.656 2.633 ( -1.553 1.748 2.810) 3.656 2.770 ( 1.941 0.122 -3.642) 4.129 2.770 ( -1.941 0.122 3.642) 4.129 2.857 ( -1.595 3.757 -2.433) 4.751 2.857 ( 1.595 3.757 2.433) 4.751 3.035 ( -6.175 -4.415 1.582) 7.755 3.035 ( 6.175 -4.415 -1.582) 7.755 3.144 ( -2.788 1.138 -2.526) 3.931 3.144 ( 2.788 1.138 2.526) 3.931 3.197 ( 5.720 -4.042 -8.834) 11.273 3.197 ( -5.720 -4.042 8.834) 11.273 3.333 ( 0.138 -1.087 -1.402) 1.779 3.333 ( -0.138 -1.087 1.402) 1.779 3.399 ( -3.463 -6.275 -4.227) 8.321 3.399 ( 3.463 -6.275 4.227) 8.321 3.497 ( -2.259 1.688 -1.144) 3.043 3.497 ( 2.259 1.688 1.144) 3.043 3.828 ( 0.649 3.353 -2.444) 4.200 3.828 ( -0.649 3.353 2.444) 4.200 4.004 ( 0.259 1.658 -3.036) 3.468 4.004 ( -0.259 1.658 3.036) 3.468 4.129 ( 3.448 2.481 -8.057) 9.108 4.129 ( -3.448 2.481 8.057) 9.108 4.297 ( 0.470 -3.971 -2.998) 4.998 4.297 ( -0.470 -3.971 2.998) 4.998 4.343 ( -0.876 4.778 -2.174) 5.322 4.343 ( 0.876 4.778 2.174) 5.322 4.606 ( -0.339 -1.663 -1.196) 2.076 4.606 ( 0.339 -1.663 1.196) 2.076 4.792 ( -0.561 -0.887 -0.958) 1.421 4.792 ( 0.561 -0.887 0.958) 1.421 4.897 ( -3.758 -1.892 -1.848) 4.596 4.897 ( 3.758 -1.892 1.848) 4.596 5.060 ( -0.702 -2.459 -1.241) 2.843 5.060 ( 0.702 -2.459 1.241) 2.843 5.308 ( -2.617 1.863 -2.525) 4.086 5.308 ( 2.617 1.863 2.525) 4.086 5.560 ( 1.325 1.244 -3.153) 3.639 5.560 ( -1.325 1.244 3.153) 3.639 5.715 ( 0.773 -3.766 -1.758) 4.228 5.715 ( -0.773 -3.766 1.758) 4.228 5.901 ( -1.958 -1.695 -2.416) 3.542 5.901 ( 1.958 -1.695 2.416) 3.542 5.999 ( -1.517 2.932 -1.298) 3.547 5.999 ( 1.517 2.932 1.298) 3.547 6.603 ( -1.276 2.041 -3.089) 3.916 6.603 ( 1.276 2.041 3.089) 3.916 6.795 ( 2.368 -0.487 -7.387) 7.772 6.795 ( -2.368 -0.487 7.387) 7.772 7.031 ( -1.634 4.032 -1.396) 4.569 7.031 ( 1.634 4.032 1.396) 4.569 7.256 ( -3.329 -2.004 -0.456) 3.912 7.256 ( 3.329 -2.004 0.456) 3.912 7.321 ( 0.180 0.110 -2.738) 2.746 7.321 ( -0.180 0.110 2.738) 2.746 7.816 ( -1.781 0.253 -6.313) 6.564 7.816 ( 1.781 0.253 6.313) 6.564 7.919 ( -1.838 -1.657 -0.882) 2.627 7.919 ( 1.838 -1.657 0.882) 2.627 8.200 ( -0.020 -0.973 -3.365) 3.503 8.200 ( 0.020 -0.973 3.365) 3.503 8.288 ( 0.019 2.129 -1.177) 2.432 8.288 ( -0.019 2.129 1.177) 2.432 8.752 ( -0.857 -0.577 -1.439) 1.771 8.752 ( 0.857 -0.577 1.439) 1.771 9.451 ( 1.818 2.475 -3.609) 4.739 9.451 ( -1.818 2.475 3.609) 4.739 9.842 ( -0.080 0.163 -4.033) 4.037 9.842 ( 0.080 0.163 4.033) 4.037 10.314 ( 0.447 -3.392 -5.008) 6.066 10.314 ( -0.447 -3.392 5.008) 6.066 10.802 ( -0.833 2.897 -3.780) 4.835 10.802 ( 0.833 2.897 3.780) 4.835 11.038 ( 1.852 -1.177 -3.239) 3.913 11.038 ( -1.853 -1.177 3.239) 3.913 11.151 ( 0.348 -0.832 -3.486) 3.601 11.151 ( -0.348 -0.832 3.486) 3.601 11.774 ( 4.583 0.707 -2.319) 5.185 11.774 ( -4.583 0.707 2.319) 5.185 11.965 ( -0.281 -4.663 -2.323) 5.217 11.965 ( 0.281 -4.663 2.323) 5.217 12.212 ( 3.029 1.250 -2.121) 3.903 12.212 ( -3.029 1.250 2.121) 3.903 12.273 ( -2.943 1.820 -1.859) 3.928 12.273 ( 2.943 1.820 1.859) 3.928 12.785 ( 2.492 0.638 -2.614) 3.667 12.785 ( -2.492 0.638 2.614) 3.667 12.821 ( 0.741 0.445 -1.920) 2.105 12.821 ( -0.741 0.445 1.920) 2.105 13.028 ( 2.094 -1.297 -3.251) 4.079 13.028 ( -2.094 -1.297 3.251) 4.079 13.218 ( -2.296 0.009 -3.277) 4.001 13.218 ( 2.296 0.009 3.277) 4.001 14.176 ( 1.580 1.089 -3.000) 3.561 14.176 ( -1.580 1.089 3.000) 3.561 14.225 ( -3.361 -0.726 -0.719) 3.512 14.225 ( 3.361 -0.726 0.719) 3.512 14.552 ( 1.075 0.353 -1.126) 1.596 14.552 ( -1.075 0.353 1.126) 1.596 14.593 ( -0.855 -0.369 -0.263) 0.967 14.593 ( 0.855 -0.369 0.263) 0.967 21.474 ( -0.378 1.982 -1.608) 2.580 21.474 ( 0.378 1.982 1.608) 2.580 21.739 ( -0.970 -2.975 -2.356) 3.917 21.739 ( 0.970 -2.975 2.356) 3.917 21.926 ( -2.861 1.241 -4.636) 5.587 21.926 ( 2.861 1.241 4.636) 5.587 22.196 ( -1.596 1.203 -0.324) 2.025 22.196 ( 1.596 1.203 0.324) 2.025 22.429 ( -2.884 0.188 -1.009) 3.061 22.429 ( 2.884 0.188 1.009) 3.061 22.573 ( -0.398 -2.562 -0.869) 2.735 22.573 ( 0.398 -2.562 0.869) 2.735 22.739 ( -0.426 3.091 -1.556) 3.486 22.739 ( 0.426 3.091 1.556) 3.486 23.258 ( -0.230 1.529 -1.412) 2.093 23.258 ( 0.230 1.529 1.412) 2.093 23.319 ( -0.291 -0.851 -1.418) 1.679 23.319 ( 0.291 -0.851 1.418) 1.679 23.760 ( -3.351 -4.205 -0.962) 5.462 23.760 ( 3.351 -4.205 0.962) 5.462 24.070 ( 0.179 2.920 -2.174) 3.645 24.070 ( -0.179 2.920 2.174) 3.645 24.250 ( 1.313 -4.007 -4.323) 6.039 24.250 ( -1.313 -4.007 4.323) 6.039 24.366 ( -1.385 2.439 -1.673) 3.266 24.366 ( 1.385 2.439 1.673) 3.266 24.679 ( -1.948 1.698 -4.413) 5.114 24.679 ( 1.948 1.698 4.413) 5.114 24.870 ( -0.102 1.105 -3.092) 3.285 24.870 ( 0.102 1.105 3.092) 3.285 25.007 ( -2.155 -2.309 -1.013) 3.317 25.007 ( 2.155 -2.309 1.013) 3.317 ======================= Grid point 108 (59/63) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -1.979 2.774 0.198) 3.414 1.252 ( 4.298 2.195 -2.564) 5.465 1.313 ( -2.858 4.519 -0.498) 5.370 1.420 ( -1.926 -0.773 1.335) 2.467 1.460 ( -1.120 -0.652 4.832) 5.003 1.530 ( 8.186 -2.400 -5.117) 9.947 1.573 ( 5.562 4.849 3.333) 8.097 1.681 ( 1.306 2.892 4.165) 5.236 1.727 ( 3.791 1.501 -3.047) 5.090 1.788 ( 1.896 4.553 -2.168) 5.388 1.844 ( 1.803 -0.374 -2.402) 3.027 1.939 ( 3.997 -4.614 -2.625) 6.645 1.981 ( -2.918 -4.829 -1.063) 5.742 2.037 ( 0.730 -2.377 0.170) 2.493 2.076 ( 0.796 -0.389 -2.277) 2.444 2.138 ( 6.011 -4.566 1.153) 7.636 2.270 ( -0.764 -0.696 0.296) 1.075 2.325 ( -1.688 -2.285 2.146) 3.560 2.349 ( -0.866 -0.573 -0.285) 1.076 2.428 ( -5.789 -1.120 1.438) 6.069 2.530 ( -2.588 7.035 -0.831) 7.542 2.605 ( -4.362 2.149 2.006) 5.260 2.632 ( 0.367 1.951 0.662) 2.092 2.669 ( -0.279 2.187 -4.103) 4.658 2.753 ( -1.733 1.365 0.787) 2.343 2.770 ( -1.286 -0.886 -0.195) 1.574 2.833 ( 3.134 2.011 2.534) 4.504 2.898 ( 0.868 1.492 1.670) 2.402 2.975 ( 0.291 -5.053 1.928) 5.416 3.054 ( -2.603 -1.309 1.549) 3.300 3.106 ( -2.097 -0.825 2.501) 3.367 3.139 ( 0.716 -1.269 1.960) 2.442 3.167 ( -2.357 -1.269 -0.608) 2.745 3.247 ( 1.189 -2.322 -3.730) 4.552 3.306 ( -1.406 -1.458 1.253) 2.382 3.347 ( -0.417 -3.885 1.438) 4.163 3.363 ( 0.606 -1.710 -3.198) 3.676 3.400 ( -2.660 -5.066 1.507) 5.917 3.497 ( 6.154 0.897 -1.420) 6.379 3.564 ( 4.037 0.827 2.082) 4.617 3.795 ( -1.836 1.304 0.282) 2.270 3.879 ( 0.370 3.161 0.327) 3.200 3.947 ( -3.304 0.831 -0.769) 3.493 3.997 ( -0.383 4.801 0.544) 4.847 4.110 ( -0.903 4.451 5.996) 7.522 4.203 ( -1.260 9.073 0.328) 9.166 4.270 ( 1.423 -4.106 -3.184) 5.387 4.337 ( 1.382 1.539 -6.998) 7.298 4.390 ( 8.598 -1.670 -3.025) 9.267 4.465 ( 6.725 -0.282 0.766) 6.774 4.629 ( 3.488 -0.411 -1.388) 3.777 4.663 ( 4.570 1.084 -3.849) 6.073 4.733 ( -2.704 -0.893 -1.217) 3.097 4.753 ( -4.791 0.283 1.443) 5.011 4.841 ( 0.430 -5.598 -0.354) 5.625 4.968 ( -0.423 1.334 0.783) 1.604 4.994 ( -3.398 -4.015 5.495) 7.607 5.052 ( -0.243 -3.333 2.531) 4.192 5.270 ( -2.479 2.245 1.395) 3.624 5.383 ( 1.847 -0.846 0.749) 2.165 5.565 ( 3.245 0.880 -1.989) 3.907 5.611 ( 3.515 0.059 -3.016) 4.632 5.685 ( -0.898 -3.491 0.607) 3.655 5.742 ( 1.102 -2.123 1.022) 2.601 5.886 ( 1.223 -0.748 -2.224) 2.646 5.936 ( -1.386 -0.306 -2.740) 3.086 5.957 ( 0.108 1.027 -0.207) 1.053 6.009 ( -0.980 1.110 0.295) 1.510 6.570 ( -0.324 3.573 -4.082) 5.435 6.625 ( -1.513 1.467 6.923) 7.236 6.767 ( -2.204 0.005 8.416) 8.700 6.812 ( 0.817 -1.042 -8.347) 8.451 6.986 ( -1.726 7.103 1.328) 7.429 7.063 ( 0.418 2.387 1.888) 3.072 7.194 ( -0.250 -3.426 -1.454) 3.730 7.316 ( 1.210 -4.115 -0.517) 4.320 7.330 ( 1.127 0.395 0.073) 1.196 7.351 ( 1.474 -0.556 2.687) 3.115 7.754 ( -2.212 0.826 -2.720) 3.602 7.839 ( -1.798 -2.480 -0.032) 3.063 7.900 ( 1.015 0.959 4.207) 4.432 7.956 ( 1.148 -0.193 0.800) 1.412 8.173 ( -0.368 -0.177 -2.258) 2.295 8.237 ( 1.002 -0.733 -2.165) 2.495 8.266 ( -0.544 1.553 -0.000) 1.646 8.299 ( 0.053 0.922 1.187) 1.504 8.725 ( -0.953 0.512 -1.126) 1.561 8.759 ( -0.602 -0.733 0.503) 1.073 9.422 ( -1.121 3.412 2.798) 4.553 9.477 ( 1.118 1.647 -3.590) 4.105 9.815 ( -1.014 0.504 -3.969) 4.128 9.839 ( -1.509 -0.077 3.950) 4.229 10.292 ( -0.789 -2.757 -2.879) 4.064 10.310 ( -1.260 -2.940 2.481) 4.048 10.759 ( -0.866 1.016 -0.653) 1.486 10.834 ( -0.100 0.765 1.830) 1.986 11.051 ( 2.888 -0.313 0.602) 2.966 11.087 ( 1.319 -2.374 -4.687) 5.417 11.169 ( 4.013 0.596 2.083) 4.560 11.217 ( 5.050 0.259 -3.677) 6.252 11.629 ( -8.541 1.777 3.077) 9.251 11.777 ( -5.040 -3.011 1.218) 5.996 11.948 ( 1.627 0.241 -1.845) 2.472 12.027 ( 1.918 -2.499 1.612) 3.539 12.117 ( -3.929 0.862 2.346) 4.657 12.166 ( -2.825 0.095 2.533) 3.796 12.318 ( 4.411 1.211 -3.778) 5.933 12.377 ( 3.773 -0.555 0.559) 3.854 12.736 ( -2.479 1.307 2.926) 4.052 12.802 ( -0.766 0.060 1.825) 1.981 12.806 ( -1.468 0.778 -0.984) 1.931 12.828 ( 0.520 0.823 -0.227) 0.999 13.029 ( 1.675 0.024 2.174) 2.744 13.073 ( 2.811 -0.738 -6.240) 6.884 13.185 ( 0.891 0.930 -4.797) 4.967 13.285 ( 2.257 -3.320 2.187) 4.571 14.063 ( -7.085 -0.130 1.044) 7.163 14.088 ( -5.800 -0.389 1.619) 6.034 14.177 ( -4.240 0.966 -0.811) 4.423 14.203 ( -2.770 0.714 0.807) 2.972 14.571 ( 2.521 0.371 0.880) 2.696 14.616 ( 3.336 -0.602 0.250) 3.399 14.648 ( 4.001 0.574 -1.080) 4.184 14.672 ( 5.320 -0.234 0.364) 5.337 21.467 ( 0.196 1.454 -0.763) 1.654 21.486 ( 0.067 1.501 2.082) 2.568 21.709 ( -0.204 -0.943 0.107) 0.971 21.786 ( 1.648 -2.205 -0.079) 2.754 21.849 ( -2.430 3.987 -2.960) 5.528 21.992 ( 0.088 -2.674 2.772) 3.853 22.140 ( -0.668 1.568 0.366) 1.743 22.243 ( 1.240 -1.178 -2.202) 2.788 22.425 ( 3.457 1.034 -0.193) 3.614 22.499 ( 4.070 -2.111 -0.490) 4.611 22.642 ( 4.626 -0.755 1.127) 4.821 22.660 ( 5.600 -1.127 2.031) 6.063 22.731 ( 1.078 2.637 -0.096) 2.850 22.755 ( 0.888 2.025 0.599) 2.291 23.201 ( -3.871 -0.101 0.032) 3.873 23.243 ( -3.959 -0.160 -0.912) 4.066 23.262 ( -3.424 -0.181 0.115) 3.431 23.295 ( -2.623 -0.282 -0.914) 2.792 23.666 ( -2.855 0.036 -1.123) 3.068 23.792 ( -1.131 -4.201 0.571) 4.387 24.039 ( -1.246 0.990 1.103) 1.936 24.113 ( 2.114 4.092 1.395) 4.813 24.169 ( -4.956 -3.900 5.035) 8.070 24.282 ( 0.053 -1.047 -5.081) 5.188 24.374 ( 3.274 1.017 -1.518) 3.749 24.430 ( 3.382 0.966 0.143) 3.520 24.617 ( -1.738 1.741 -2.587) 3.570 24.674 ( -3.896 -0.545 2.572) 4.701 24.867 ( 0.666 0.630 -2.252) 2.431 24.890 ( 0.276 0.792 3.011) 3.126 24.960 ( -0.366 -0.112 -0.921) 0.998 25.042 ( 0.257 -2.196 -0.678) 2.313 ======================= Grid point 109 (60/63) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 4.240 4.619 0.636) 6.302 1.228 ( -4.197 5.200 -2.288) 7.063 1.350 ( 3.900 2.959 2.098) 5.326 1.413 ( 0.259 4.962 -0.249) 4.975 1.447 ( -0.088 -0.751 1.268) 1.476 1.531 ( -5.246 6.349 0.893) 8.284 1.697 ( 3.654 -1.329 -0.911) 3.994 1.744 ( -0.817 1.124 -4.727) 4.927 1.795 ( 6.111 1.863 1.650) 6.598 1.829 ( 1.412 2.536 4.610) 5.448 1.907 ( 2.869 -2.001 -3.265) 4.785 1.918 ( -0.162 -1.134 1.364) 1.781 2.022 ( 5.682 0.975 -3.188) 6.588 2.067 ( 1.132 -5.020 -2.833) 5.874 2.157 ( 3.290 0.363 -0.349) 3.329 2.194 ( -2.147 1.667 -4.229) 5.027 2.196 ( -5.340 0.586 1.569) 5.597 2.265 ( -3.918 0.398 4.247) 5.792 2.325 ( -1.782 -4.831 3.489) 6.220 2.377 ( 0.056 -4.886 -0.834) 4.957 2.536 ( 3.397 3.376 -2.295) 5.311 2.559 ( 2.289 -0.151 0.433) 2.334 2.610 ( -3.223 2.028 1.773) 4.201 2.641 ( -1.161 -0.182 -0.694) 1.365 2.695 ( 0.263 -2.815 -0.616) 2.894 2.747 ( -2.044 -3.473 -0.818) 4.112 2.817 ( -2.158 -1.541 2.102) 3.384 2.868 ( -3.930 -3.821 0.319) 5.491 3.021 ( 0.004 -2.953 4.811) 5.645 3.050 ( 4.563 -3.946 -2.172) 6.412 3.085 ( -1.775 -0.710 -1.025) 2.169 3.158 ( 4.295 0.070 3.027) 5.254 3.181 ( -5.391 -4.065 0.005) 6.752 3.256 ( 5.107 5.339 -1.628) 7.565 3.292 ( -2.691 -2.006 4.353) 5.497 3.323 ( -1.732 0.243 -1.505) 2.307 3.357 ( 0.453 -2.450 -1.022) 2.693 3.371 ( 0.173 -2.605 -0.545) 2.667 3.630 ( 5.292 1.456 0.034) 5.489 3.684 ( 2.684 0.564 -0.978) 2.912 3.751 ( 0.525 1.265 -1.840) 2.294 3.817 ( -4.360 1.598 -0.210) 4.648 3.933 ( 1.049 1.183 2.115) 2.641 3.968 ( -2.421 3.263 0.595) 4.106 4.116 ( 1.719 10.156 1.545) 10.415 4.167 ( -0.821 9.190 4.829) 10.414 4.248 ( -2.788 -4.695 -1.514) 5.666 4.297 ( -3.887 1.813 -6.948) 8.165 4.540 ( 3.921 0.225 -2.268) 4.535 4.561 ( 1.450 -0.802 1.780) 2.431 4.684 ( 1.816 2.667 -5.715) 6.563 4.721 ( 1.602 3.011 3.066) 4.586 4.746 ( 3.948 -3.018 0.943) 5.058 4.775 ( 2.915 -0.977 -3.384) 4.572 4.832 ( 1.386 -0.646 -0.199) 1.542 4.918 ( -2.789 -1.673 1.218) 3.473 4.980 ( 1.014 -5.079 2.877) 5.924 5.077 ( -3.014 -2.865 -0.092) 4.159 5.213 ( 1.359 -1.437 4.978) 5.357 5.338 ( -5.666 -3.936 -0.443) 6.913 5.670 ( 5.666 0.217 -3.368) 6.595 5.693 ( 4.775 -1.254 -5.487) 7.382 5.709 ( 1.337 -0.416 3.361) 3.640 5.751 ( -1.397 -0.669 2.729) 3.138 5.881 ( -0.780 3.092 -2.619) 4.127 5.913 ( -0.863 0.471 -1.888) 2.129 5.940 ( -0.561 -2.379 0.765) 2.561 5.973 ( -1.890 -1.963 0.545) 2.779 6.564 ( 1.633 4.236 -8.828) 9.927 6.589 ( -3.573 3.492 11.116) 12.188 6.752 ( -1.833 -0.116 12.221) 12.358 6.775 ( -0.275 -1.269 -12.676) 12.742 6.998 ( 2.057 5.991 0.774) 6.382 7.047 ( -2.058 2.408 1.156) 3.372 7.233 ( 3.172 -5.105 -1.279) 6.145 7.295 ( -2.346 -4.629 -0.561) 5.219 7.374 ( 1.900 -0.106 1.542) 2.449 7.388 ( 0.863 -0.373 1.056) 1.414 7.725 ( 0.178 -0.749 1.761) 1.922 7.774 ( -2.941 -2.893 -3.271) 5.265 7.950 ( 1.577 2.239 3.422) 4.383 7.972 ( 0.129 1.380 -0.419) 1.448 8.172 ( 0.982 0.754 -2.029) 2.377 8.205 ( -2.280 1.474 0.408) 2.746 8.284 ( 1.539 -1.027 -3.535) 3.990 8.298 ( -0.739 -0.326 2.946) 3.055 8.716 ( 0.357 1.058 -0.031) 1.117 8.736 ( -1.258 0.233 -0.330) 1.321 9.430 ( 1.005 3.382 3.011) 4.638 9.468 ( -0.970 2.205 -3.512) 4.258 9.791 ( 0.391 0.340 -3.857) 3.891 9.809 ( -2.053 -0.062 3.900) 4.408 10.275 ( 0.308 -2.064 -3.219) 3.836 10.286 ( -1.464 -2.097 3.020) 3.958 10.768 ( 1.689 -1.609 -0.714) 2.439 10.811 ( -2.095 -1.998 1.102) 3.098 11.107 ( 2.025 -0.711 -3.902) 4.454 11.119 ( 1.000 -1.138 2.976) 3.340 11.250 ( 5.230 2.802 -1.333) 6.081 11.353 ( 3.025 -2.172 -3.728) 5.270 11.473 ( -2.216 3.846 2.787) 5.241 11.619 ( -9.198 -2.066 2.729) 9.815 11.982 ( 2.008 2.900 -3.865) 5.232 12.015 ( -2.554 2.675 5.149) 6.339 12.110 ( 1.677 -2.303 -1.436) 3.191 12.138 ( -1.157 -1.557 1.821) 2.661 12.393 ( 3.298 -1.898 -2.839) 4.747 12.424 ( 0.086 -2.360 1.969) 3.074 12.711 ( -0.083 2.639 1.517) 3.045 12.748 ( -2.855 2.491 -0.292) 3.801 12.805 ( 0.591 0.070 0.932) 1.105 12.824 ( -0.742 0.397 -0.336) 0.906 13.078 ( 0.809 1.725 6.322) 6.603 13.096 ( 1.269 0.657 -7.931) 8.058 13.233 ( 4.580 -2.565 -5.615) 7.687 13.300 ( -1.966 -4.632 3.237) 5.983 13.956 ( -1.869 1.395 -0.762) 2.453 13.983 ( -4.282 1.724 2.445) 5.224 14.106 ( -0.891 -1.404 1.201) 2.051 14.138 ( -2.827 -1.247 -1.125) 3.289 14.628 ( 2.248 1.724 0.087) 2.834 14.654 ( 0.085 1.730 0.293) 1.756 14.736 ( 3.228 -0.699 -1.599) 3.669 14.752 ( 1.388 -0.816 1.522) 2.215 21.476 ( 0.684 0.799 -0.685) 1.255 21.487 ( -0.519 0.694 1.444) 1.684 21.728 ( 1.339 1.716 2.178) 3.079 21.771 ( -1.732 2.279 -3.403) 4.446 21.851 ( 2.580 0.892 0.642) 2.804 21.930 ( -4.169 -0.083 -0.666) 4.223 22.186 ( 2.710 -2.933 2.052) 4.489 22.235 ( -1.074 -3.103 -2.366) 4.048 22.542 ( 5.428 0.526 2.124) 5.852 22.588 ( 2.287 -1.317 -0.214) 2.648 22.698 ( 1.657 -0.007 0.133) 1.663 22.722 ( 0.088 -0.989 -0.132) 1.002 22.816 ( 4.140 1.459 1.293) 4.576 22.822 ( 3.308 1.248 0.030) 3.535 23.100 ( -3.357 -0.359 -2.452) 4.172 23.131 ( -4.470 -1.448 0.667) 4.746 23.187 ( -2.872 0.334 1.467) 3.242 23.212 ( -3.642 -0.254 -2.087) 4.205 23.665 ( 2.580 1.241 -0.676) 2.941 23.737 ( -3.625 -1.327 1.113) 4.017 24.035 ( 1.071 -1.210 -1.127) 1.970 24.083 ( -3.978 -2.740 3.874) 6.192 24.168 ( 2.355 3.823 3.501) 5.694 24.235 ( -2.244 1.906 -6.063) 6.740 24.450 ( 4.251 0.412 -1.208) 4.439 24.516 ( 3.041 -1.385 3.782) 5.047 24.564 ( -5.094 0.653 -0.674) 5.180 24.585 ( -1.364 -0.170 -2.336) 2.711 24.880 ( 1.075 0.392 -1.812) 2.143 24.894 ( -0.540 0.189 1.942) 2.025 24.979 ( 1.504 0.227 1.001) 1.821 25.020 ( -1.668 -1.046 -1.166) 2.288 ======================= Grid point 112 (61/63) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -0.000 0.000 0.000) 0.000 1.227 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 0.000) 0.000 1.385 ( -0.000 0.000 0.000) 0.000 1.443 ( -0.000 -0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.522 ( -0.000 0.000 0.000) 0.000 1.522 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.803 ( 0.000 -0.000 0.000) 0.000 1.803 ( 0.000 0.000 0.000) 0.000 2.037 ( -0.000 -0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.245 ( -0.000 0.000 0.000) 0.000 2.245 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 -0.000 -0.000) 0.000 2.652 ( -0.000 0.000 0.000) 0.000 2.670 ( -0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.755 ( -0.000 -0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.901 ( -0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 2.959 ( -0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 -0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.185 ( -0.000 -0.000 -0.000) 0.000 3.185 ( 0.000 -0.000 0.000) 0.000 3.304 ( 0.000 -0.000 -0.000) 0.000 3.304 ( -0.000 0.000 0.000) 0.000 3.313 ( -0.000 0.000 -0.000) 0.000 3.313 ( -0.000 -0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.876 ( -0.000 -0.000 0.000) 0.000 3.876 ( -0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.154 ( -0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.213 ( -0.000 0.000 0.000) 0.000 4.213 ( -0.000 -0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.672 ( -0.000 -0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 -0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.835 ( -0.000 0.000 0.000) 0.000 4.835 ( -0.000 0.000 0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.324 ( -0.000 0.000 0.000) 0.000 5.582 ( -0.000 -0.000 0.000) 0.000 5.582 ( 0.000 -0.000 0.000) 0.000 5.677 ( -0.000 0.000 0.000) 0.000 5.677 ( -0.000 0.000 0.000) 0.000 5.870 ( -0.000 -0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 6.033 ( -0.000 0.000 0.000) 0.000 6.033 ( -0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.635 ( -0.000 -0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.182 ( -0.000 -0.000 0.000) 0.000 7.182 ( -0.000 -0.000 0.000) 0.000 7.337 ( -0.000 0.000 0.000) 0.000 7.337 ( -0.000 0.000 0.000) 0.000 7.824 ( -0.000 -0.000 0.000) 0.000 7.824 ( -0.000 0.000 0.000) 0.000 7.894 ( 0.000 0.000 0.000) 0.000 7.894 ( -0.000 0.000 0.000) 0.000 8.189 ( -0.000 0.000 0.000) 0.000 8.189 ( 0.000 -0.000 0.000) 0.000 8.312 ( -0.000 0.000 0.000) 0.000 8.312 ( -0.000 0.000 0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 8.745 ( -0.000 0.000 0.000) 0.000 9.486 ( -0.000 -0.000 0.000) 0.000 9.486 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 -0.000 0.000) 0.000 9.843 ( -0.000 0.000 0.000) 0.000 10.270 ( 0.000 0.000 0.000) 0.000 10.270 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 11.020 ( -0.000 0.000 0.000) 0.000 11.020 ( -0.000 0.000 0.000) 0.000 11.140 ( -0.000 0.000 0.000) 0.000 11.140 ( 0.000 0.000 0.000) 0.000 11.791 ( 0.000 0.000 0.000) 0.000 11.791 ( -0.000 0.000 0.000) 0.000 11.899 ( 0.000 0.000 0.000) 0.000 11.899 ( 0.000 0.000 0.000) 0.000 12.228 ( 0.000 0.000 0.000) 0.000 12.228 ( -0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.795 ( -0.000 -0.000 0.000) 0.000 12.795 ( 0.000 0.000 0.000) 0.000 12.826 ( -0.000 0.000 0.000) 0.000 12.826 ( -0.000 0.000 0.000) 0.000 13.009 ( 0.000 -0.000 0.000) 0.000 13.009 ( 0.000 0.000 0.000) 0.000 13.219 ( -0.000 -0.000 0.000) 0.000 13.219 ( 0.000 0.000 0.000) 0.000 14.198 ( 0.000 -0.000 0.000) 0.000 14.198 ( 0.000 0.000 0.000) 0.000 14.207 ( -0.000 -0.000 -0.000) 0.000 14.207 ( -0.000 0.000 -0.000) 0.000 14.558 ( 0.000 0.000 0.000) 0.000 14.558 ( -0.000 0.000 0.000) 0.000 14.587 ( -0.000 -0.000 0.000) 0.000 14.587 ( 0.000 0.000 0.000) 0.000 21.503 ( -0.000 0.000 0.000) 0.000 21.503 ( 0.000 0.000 0.000) 0.000 21.700 ( 0.000 0.000 0.000) 0.000 21.700 ( 0.000 0.000 0.000) 0.000 21.939 ( -0.000 0.000 0.000) 0.000 21.939 ( 0.000 0.000 0.000) 0.000 22.212 ( -0.000 0.000 0.000) 0.000 22.212 ( -0.000 0.000 0.000) 0.000 22.432 ( -0.000 0.000 0.000) 0.000 22.432 ( -0.000 0.000 0.000) 0.000 22.543 ( 0.000 0.000 0.000) 0.000 22.543 ( 0.000 0.000 0.000) 0.000 22.775 ( -0.000 0.000 0.000) 0.000 22.775 ( 0.000 0.000 0.000) 0.000 23.291 ( -0.000 -0.000 -0.000) 0.000 23.291 ( -0.000 0.000 0.000) 0.000 23.296 ( 0.000 0.000 -0.000) 0.000 23.296 ( 0.000 -0.000 0.000) 0.000 23.705 ( -0.000 0.000 0.000) 0.000 23.705 ( -0.000 0.000 0.000) 0.000 24.139 ( -0.000 0.000 0.000) 0.000 24.139 ( 0.000 0.000 -0.000) 0.000 24.168 ( -0.000 -0.000 0.000) 0.000 24.168 ( -0.000 -0.000 0.000) 0.000 24.395 ( 0.000 0.000 0.000) 0.000 24.395 ( 0.000 0.000 0.000) 0.000 24.701 ( -0.000 -0.000 0.000) 0.000 24.701 ( -0.000 0.000 0.000) 0.000 24.893 ( -0.000 -0.000 0.000) 0.000 24.893 ( 0.000 0.000 0.000) 0.000 24.968 ( -0.000 -0.000 0.000) 0.000 24.968 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 116 (62/63) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.332 -6.109 1.901) 6.406 1.208 ( -0.332 6.109 1.901) 6.406 1.410 ( -0.699 -2.260 2.062) 3.138 1.410 ( -0.699 2.260 2.062) 3.138 1.460 ( 5.342 -3.696 -1.657) 6.704 1.460 ( 5.342 3.696 -1.657) 6.704 1.670 ( 8.165 -4.873 2.919) 9.946 1.670 ( 8.165 4.873 2.919) 9.946 1.797 ( 3.283 -6.893 -0.918) 7.690 1.797 ( 3.283 6.893 -0.918) 7.690 1.849 ( 4.325 -2.107 -5.376) 7.214 1.849 ( 4.325 2.107 -5.376) 7.214 1.972 ( -6.344 -4.460 0.273) 7.760 1.972 ( -6.344 4.460 0.273) 7.760 2.070 ( 3.787 -0.670 -1.817) 4.253 2.070 ( 3.787 0.670 -1.817) 4.253 2.283 ( 0.900 -1.659 3.135) 3.659 2.283 ( 0.900 1.659 3.135) 3.659 2.386 ( -7.282 -2.547 -0.724) 7.748 2.386 ( -7.282 2.547 -0.724) 7.748 2.641 ( -0.929 -1.153 -0.290) 1.509 2.641 ( -0.929 1.153 -0.290) 1.509 2.700 ( -3.040 -5.764 1.482) 6.683 2.700 ( -3.040 5.764 1.482) 6.683 2.756 ( -5.048 -3.147 -1.648) 6.173 2.756 ( -5.048 3.147 -1.648) 6.173 2.826 ( 3.645 -3.133 0.188) 4.810 2.826 ( 3.645 3.133 0.188) 4.810 2.985 ( -1.325 -5.280 1.747) 5.717 2.985 ( -1.325 5.280 1.747) 5.717 3.118 ( -3.079 -3.118 -0.292) 4.392 3.118 ( -3.079 3.118 -0.292) 4.392 3.201 ( 0.135 -6.125 2.359) 6.565 3.201 ( 0.135 6.125 2.359) 6.565 3.280 ( 1.326 -3.071 -1.617) 3.715 3.280 ( 1.326 3.071 -1.617) 3.715 3.332 ( 0.114 -0.933 0.435) 1.036 3.332 ( 0.114 0.933 0.435) 1.036 3.556 ( 4.954 -2.321 1.371) 5.640 3.556 ( 4.954 2.321 1.371) 5.640 3.856 ( -2.284 -4.081 -0.530) 4.707 3.856 ( -2.284 4.081 -0.530) 4.707 4.020 ( -1.494 -4.384 1.760) 4.955 4.020 ( -1.494 4.384 1.760) 4.955 4.173 ( 1.359 -2.548 0.072) 2.889 4.173 ( 1.359 2.548 0.072) 2.889 4.323 ( 8.859 -3.610 -2.809) 9.970 4.323 ( 8.859 3.610 -2.809) 9.970 4.500 ( 3.531 -3.024 -1.492) 4.883 4.500 ( 3.531 3.024 -1.492) 4.883 4.621 ( -1.786 -4.733 -4.432) 6.726 4.621 ( -1.786 4.733 -4.432) 6.726 4.686 ( -1.148 -3.228 -0.483) 3.460 4.686 ( -1.148 3.228 -0.483) 3.460 4.842 ( 0.658 -5.022 3.754) 6.304 4.842 ( 0.658 5.022 3.754) 6.304 5.038 ( -1.870 -1.494 3.048) 3.876 5.038 ( -1.870 1.494 3.048) 3.876 5.330 ( -1.552 -3.487 0.570) 3.859 5.330 ( -1.552 3.487 0.570) 3.859 5.590 ( 2.231 -1.352 -2.450) 3.578 5.590 ( 2.231 1.352 -2.450) 3.578 5.692 ( 1.640 -2.833 1.087) 3.449 5.692 ( 1.640 2.833 1.087) 3.449 5.888 ( 1.035 -1.988 -0.994) 2.452 5.888 ( 1.035 1.988 -0.994) 2.452 6.006 ( -2.112 -1.533 -1.227) 2.884 6.006 ( -2.112 1.533 -1.227) 2.884 6.630 ( -0.513 -1.469 1.423) 2.109 6.630 ( -0.513 1.469 1.423) 2.109 6.781 ( -0.516 -1.394 -0.704) 1.645 6.781 ( -0.516 1.394 -0.704) 1.645 7.108 ( -0.976 -2.098 1.182) 2.598 7.108 ( -0.976 2.098 1.182) 2.598 7.185 ( 0.375 -6.837 -0.419) 6.860 7.185 ( 0.375 6.837 -0.419) 6.860 7.340 ( 0.292 -0.827 2.433) 2.586 7.340 ( 0.292 0.827 2.433) 2.586 7.786 ( -2.291 -2.250 -2.553) 4.102 7.786 ( -2.291 2.250 -2.553) 4.102 7.933 ( 2.159 -1.708 2.474) 3.701 7.933 ( 2.159 1.708 2.474) 3.701 8.196 ( 0.838 -2.175 -1.762) 2.922 8.196 ( 0.838 2.175 -1.762) 2.922 8.301 ( -1.056 -0.962 0.555) 1.533 8.301 ( -1.056 0.962 0.555) 1.533 8.741 ( -0.323 -0.937 0.013) 0.992 8.741 ( -0.323 0.937 0.013) 0.992 9.485 ( 0.162 -1.629 -0.750) 1.801 9.485 ( 0.162 1.629 -0.750) 1.801 9.828 ( -1.236 -0.787 0.028) 1.465 9.828 ( -1.236 0.787 0.028) 1.465 10.262 ( -0.611 -0.610 -0.208) 0.888 10.262 ( -0.611 0.610 -0.208) 0.888 10.807 ( -2.439 -2.723 0.811) 3.744 10.807 ( -2.439 2.723 0.811) 3.744 11.053 ( 2.777 -0.913 -1.773) 3.419 11.053 ( 2.777 0.913 -1.773) 3.419 11.198 ( 4.850 -1.735 -1.664) 5.413 11.198 ( 4.850 1.735 -1.664) 5.413 11.694 ( -6.949 -4.216 3.132) 8.711 11.694 ( -6.949 4.216 3.132) 8.711 11.972 ( 4.555 -2.171 -1.347) 5.223 11.972 ( 4.555 2.171 -1.347) 5.223 12.148 ( -4.714 -1.542 3.360) 5.990 12.148 ( -4.714 1.542 3.360) 5.990 12.353 ( 2.733 -1.689 -1.139) 3.409 12.353 ( 2.733 1.689 -1.139) 3.409 12.777 ( -1.050 -2.135 0.819) 2.516 12.777 ( -1.050 2.135 0.819) 2.516 12.827 ( -0.413 -0.851 -0.047) 0.947 12.827 ( -0.413 0.851 -0.047) 0.947 13.049 ( 3.567 -1.509 -2.707) 4.725 13.049 ( 3.567 1.509 -2.707) 4.725 13.218 ( -0.139 -2.541 -0.253) 2.557 13.218 ( -0.139 2.541 -0.253) 2.557 14.072 ( -6.029 -0.809 0.946) 6.156 14.072 ( -6.029 0.809 0.946) 6.156 14.201 ( -4.085 -0.862 0.245) 4.182 14.201 ( -4.085 0.862 0.245) 4.182 14.591 ( 3.828 -1.387 0.347) 4.086 14.591 ( 3.828 1.387 0.347) 4.086 14.664 ( 4.297 -0.618 -0.286) 4.350 14.664 ( 4.297 0.618 -0.286) 4.350 21.496 ( -0.442 -0.804 0.119) 0.925 21.496 ( -0.442 0.804 0.119) 0.925 21.729 ( 1.995 -2.612 1.827) 3.760 21.729 ( 1.995 2.612 1.827) 3.760 21.926 ( -0.870 -3.452 -1.428) 3.836 21.926 ( -0.870 3.452 -1.428) 3.836 22.194 ( -1.323 -3.141 -0.969) 3.543 22.194 ( -1.323 3.141 -0.969) 3.543 22.456 ( 3.558 -1.906 0.072) 4.037 22.456 ( 3.558 1.906 0.072) 4.037 22.642 ( 6.064 -0.575 1.604) 6.299 22.642 ( 6.064 0.575 1.604) 6.299 22.771 ( 0.261 -0.771 -0.097) 0.820 22.771 ( 0.261 0.771 -0.097) 0.820 23.214 ( -5.398 -1.302 -1.017) 5.645 23.214 ( -5.398 1.302 -1.017) 5.645 23.280 ( -2.416 -1.010 0.047) 2.619 23.280 ( -2.416 1.010 0.047) 2.619 23.702 ( -0.102 -3.537 -0.394) 3.561 23.702 ( -0.102 3.537 -0.394) 3.561 24.088 ( -3.545 -3.467 3.229) 5.918 24.088 ( -3.545 3.467 3.229) 5.918 24.210 ( 2.355 -4.831 -0.503) 5.398 24.210 ( 2.355 4.831 -0.503) 5.398 24.419 ( 2.204 -1.970 -1.699) 3.409 24.419 ( 2.204 1.970 -1.699) 3.409 24.653 ( -3.452 -1.481 -0.661) 3.814 24.653 ( -3.452 1.481 -0.661) 3.814 24.886 ( -0.135 -1.015 -0.046) 1.025 24.886 ( -0.135 1.015 -0.046) 1.025 24.987 ( 0.928 -2.587 0.142) 2.753 24.987 ( 0.928 2.587 0.142) 2.753 ======================= Grid point 118 (63/63) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 2.533 -4.603 1.140) 5.376 1.245 ( 2.533 4.603 1.140) 5.376 1.394 ( -1.442 -3.055 0.580) 3.428 1.394 ( -1.442 3.055 0.580) 3.428 1.582 ( 4.723 -6.036 1.418) 7.794 1.582 ( 4.723 6.036 1.418) 7.794 1.713 ( -3.116 -5.097 -3.447) 6.897 1.713 ( -3.116 5.097 -3.447) 6.897 1.845 ( 1.310 -1.337 1.284) 2.270 1.845 ( 1.310 1.337 1.284) 2.270 1.878 ( -1.322 -6.303 -0.412) 6.454 1.878 ( -1.322 6.303 -0.412) 6.454 2.008 ( 9.787 -2.720 -0.033) 10.158 2.008 ( 9.787 2.720 -0.033) 10.158 2.193 ( 2.324 -2.649 -1.234) 3.734 2.193 ( 2.324 2.649 -1.234) 3.734 2.235 ( -4.581 -2.260 -1.785) 5.411 2.235 ( -4.581 2.260 -1.785) 5.411 2.289 ( -0.066 -1.935 2.648) 3.280 2.289 ( -0.066 1.935 2.648) 3.280 2.608 ( -1.322 -2.772 0.113) 3.073 2.608 ( -1.322 2.772 0.113) 3.073 2.630 ( -2.534 -4.028 -3.073) 5.665 2.630 ( -2.534 4.028 -3.073) 5.665 2.654 ( -2.942 -0.629 2.151) 3.699 2.654 ( -2.942 0.629 2.151) 3.699 2.803 ( -3.957 -1.142 0.403) 4.138 2.803 ( -3.957 1.142 0.403) 4.138 3.003 ( 3.180 -2.242 0.589) 3.935 3.003 ( 3.180 2.242 0.589) 3.935 3.085 ( -2.673 -2.584 -0.168) 3.722 3.085 ( -2.673 2.584 -0.168) 3.722 3.209 ( 1.684 -2.758 2.915) 4.352 3.209 ( 1.684 2.758 2.915) 4.352 3.309 ( 1.332 -0.686 0.151) 1.506 3.309 ( 1.332 0.686 0.151) 1.506 3.366 ( 1.106 -1.933 -1.503) 2.687 3.366 ( 1.106 1.933 -1.503) 2.687 3.662 ( 2.217 -1.963 0.279) 2.975 3.662 ( 2.217 1.963 0.279) 2.975 3.813 ( 0.775 -2.622 -0.895) 2.877 3.813 ( 0.775 2.622 -0.895) 2.877 3.977 ( -2.804 -2.678 1.225) 4.066 3.977 ( -2.804 2.678 1.225) 4.066 4.172 ( -1.092 -1.319 0.024) 1.713 4.172 ( -1.092 1.319 0.024) 1.713 4.445 ( 3.342 -7.608 -3.996) 9.221 4.445 ( 3.342 7.608 -3.996) 9.221 4.506 ( -3.082 -8.249 1.988) 9.028 4.506 ( -3.082 8.249 1.988) 9.028 4.605 ( 1.839 -4.725 0.998) 5.167 4.605 ( 1.839 4.725 0.998) 5.167 4.766 ( 6.045 -1.863 -3.212) 7.094 4.766 ( 6.045 1.863 -3.212) 7.094 4.860 ( -0.008 -3.121 -1.422) 3.430 4.860 ( -0.008 3.121 -1.422) 3.430 5.027 ( 0.494 -4.259 4.373) 6.124 5.027 ( 0.494 4.259 4.373) 6.124 5.231 ( -5.961 -4.591 1.206) 7.620 5.231 ( -5.961 4.591 1.206) 7.620 5.679 ( 5.454 -0.487 -4.240) 6.925 5.679 ( 5.454 0.487 -4.240) 6.925 5.729 ( 0.046 -1.639 3.318) 3.701 5.729 ( 0.046 1.639 3.318) 3.701 5.899 ( 0.755 -0.377 -1.143) 1.421 5.899 ( 0.755 0.377 -1.143) 1.421 5.944 ( -3.025 -1.170 -0.642) 3.306 5.944 ( -3.025 1.170 -0.642) 3.306 6.625 ( -0.236 -0.833 0.702) 1.115 6.625 ( -0.236 0.833 0.702) 1.115 6.753 ( -1.214 -0.492 0.023) 1.310 6.753 ( -1.214 0.492 0.023) 1.310 7.105 ( 0.350 -1.690 0.913) 1.953 7.105 ( 0.350 1.690 0.913) 1.953 7.178 ( -0.738 -4.481 -1.197) 4.697 7.178 ( -0.738 4.481 -1.197) 4.697 7.375 ( 1.522 -0.520 2.414) 2.901 7.375 ( 1.522 0.520 2.414) 2.901 7.729 ( -1.772 -1.212 -1.573) 2.661 7.729 ( -1.772 1.212 -1.573) 2.661 7.978 ( 1.076 -0.537 1.384) 1.834 7.978 ( 1.076 0.537 1.384) 1.834 8.207 ( 0.507 -1.833 -1.722) 2.565 8.207 ( 0.507 1.833 -1.722) 2.565 8.280 ( -0.741 -1.090 0.768) 1.526 8.280 ( -0.741 1.090 0.768) 1.526 8.734 ( -0.178 -0.525 -0.010) 0.554 8.734 ( -0.178 0.525 -0.010) 0.554 9.489 ( 0.271 -1.134 -0.472) 1.258 9.489 ( 0.271 1.134 -0.472) 1.258 9.801 ( -0.952 -0.598 0.044) 1.125 9.801 ( -0.952 0.598 0.044) 1.125 10.249 ( -0.333 -0.397 -0.114) 0.531 10.249 ( -0.333 0.397 -0.114) 0.531 10.769 ( -1.022 -1.457 0.321) 1.808 10.769 ( -1.022 1.457 0.321) 1.808 11.104 ( 1.677 -0.449 -0.742) 1.888 11.104 ( 1.677 0.449 -0.742) 1.888 11.303 ( 4.481 -2.420 -2.547) 5.694 11.303 ( 4.481 2.420 -2.547) 5.694 11.557 ( -5.539 -3.757 3.064) 7.361 11.557 ( -5.539 3.757 3.064) 7.361 12.050 ( 2.662 -3.249 -2.998) 5.160 12.050 ( 2.662 3.249 -2.998) 5.160 12.083 ( -2.085 -3.343 3.908) 5.550 12.083 ( -2.085 3.343 3.908) 5.550 12.382 ( 0.348 -1.094 0.016) 1.148 12.382 ( 0.348 1.094 0.016) 1.148 12.771 ( 0.479 -2.348 -0.321) 2.417 12.771 ( 0.479 2.348 -0.321) 2.417 12.807 ( -1.229 -1.797 0.450) 2.223 12.807 ( -1.229 1.797 0.450) 2.223 13.115 ( 2.552 -0.374 -2.369) 3.503 13.115 ( 2.552 0.374 -2.369) 3.503 13.209 ( -0.671 -2.324 0.718) 2.524 13.209 ( -0.671 2.324 0.718) 2.524 13.990 ( -1.590 -1.283 0.257) 2.059 13.990 ( -1.590 1.283 0.257) 2.059 14.104 ( -3.421 -1.418 0.410) 3.726 14.104 ( -3.421 1.418 0.410) 3.726 14.666 ( 2.094 -1.147 0.056) 2.388 14.666 ( 2.094 1.147 0.056) 2.388 14.732 ( 1.739 -0.773 0.025) 1.903 14.732 ( 1.739 0.773 0.025) 1.903 21.490 ( -0.116 -0.383 0.127) 0.420 21.490 ( -0.116 0.383 0.127) 0.420 21.773 ( 1.147 -1.839 1.583) 2.684 21.773 ( 1.147 1.839 1.583) 2.684 21.901 ( -0.633 -2.892 -1.639) 3.384 21.901 ( -0.633 2.892 -1.639) 3.384 22.168 ( -0.632 -2.013 -0.387) 2.145 22.168 ( -0.632 2.013 -0.387) 2.145 22.560 ( 4.172 -1.190 1.104) 4.476 22.560 ( 4.172 1.190 1.104) 4.476 22.704 ( 0.120 -0.631 -0.115) 0.653 22.704 ( 0.120 0.631 -0.115) 0.653 22.836 ( 3.629 -0.196 0.659) 3.694 22.836 ( 3.629 0.196 0.659) 3.694 23.104 ( -2.660 -0.848 -1.268) 3.066 23.104 ( -2.660 0.848 -1.268) 3.066 23.200 ( -4.153 -0.788 -0.145) 4.229 23.200 ( -4.153 0.788 -0.145) 4.229 23.700 ( -0.021 -1.977 0.101) 1.980 23.700 ( -0.021 1.977 0.101) 1.980 24.036 ( -1.602 -1.366 1.499) 2.585 24.036 ( -1.602 1.366 1.499) 2.585 24.238 ( 0.401 -2.116 -0.646) 2.248 24.238 ( 0.401 2.116 -0.646) 2.248 24.473 ( 2.611 -2.013 0.061) 3.298 24.473 ( 2.611 2.013 0.061) 3.298 24.580 ( -2.677 -0.511 -0.870) 2.861 24.580 ( -2.677 0.511 -0.870) 2.861 24.890 ( 0.351 -0.467 -0.028) 0.585 24.890 ( 0.351 0.467 -0.028) 0.585 24.994 ( -0.136 -1.180 0.097) 1.192 24.994 ( -0.136 1.180 0.097) 1.192 =================== 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 3/24960 10.0 60.827 59.731 80.264 0.000 -11.729 0.000 3/24960 20.0 13.170 12.032 18.176 0.000 -2.714 0.000 3/24960 30.0 6.278 5.645 8.772 0.000 -1.265 0.000 3/24960 40.0 3.977 3.555 5.593 0.000 -0.792 0.000 3/24960 50.0 2.881 2.572 4.059 0.000 -0.569 0.000 3/24960 60.0 2.253 2.012 3.175 0.000 -0.443 0.000 3/24960 70.0 1.849 1.654 2.607 0.000 -0.363 0.000 3/24960 80.0 1.569 1.406 2.215 0.000 -0.308 0.000 3/24960 90.0 1.364 1.225 1.929 0.000 -0.268 0.000 3/24960 100.0 1.207 1.086 1.711 0.000 -0.238 0.000 3/24960 110.0 1.083 0.977 1.540 0.000 -0.214 0.000 3/24960 120.0 0.983 0.889 1.401 0.000 -0.195 0.000 3/24960 130.0 0.901 0.816 1.287 0.000 -0.179 0.000 3/24960 140.0 0.832 0.754 1.192 0.000 -0.166 0.000 3/24960 150.0 0.773 0.702 1.110 0.000 -0.155 0.000 3/24960 160.0 0.722 0.657 1.040 0.000 -0.145 0.000 3/24960 170.0 0.678 0.617 0.979 0.000 -0.136 0.000 3/24960 180.0 0.640 0.582 0.926 0.000 -0.129 0.000 3/24960 190.0 0.605 0.552 0.878 0.000 -0.122 0.000 3/24960 200.0 0.575 0.524 0.836 0.000 -0.116 0.000 3/24960 210.0 0.547 0.499 0.798 0.000 -0.111 0.000 3/24960 220.0 0.523 0.477 0.764 0.000 -0.106 0.000 3/24960 230.0 0.500 0.457 0.733 0.000 -0.102 0.000 3/24960 240.0 0.480 0.438 0.705 0.000 -0.098 0.000 3/24960 250.0 0.461 0.421 0.679 0.000 -0.094 0.000 3/24960 260.0 0.444 0.406 0.655 0.000 -0.091 0.000 3/24960 270.0 0.428 0.391 0.633 0.000 -0.088 0.000 3/24960 280.0 0.413 0.378 0.613 0.000 -0.085 0.000 3/24960 290.0 0.399 0.365 0.594 0.000 -0.082 0.000 3/24960 300.0 0.387 0.353 0.576 0.000 -0.080 0.000 3/24960 310.0 0.375 0.343 0.559 0.000 -0.077 0.000 3/24960 320.0 0.363 0.332 0.543 0.000 -0.075 0.000 3/24960 330.0 0.353 0.323 0.529 0.000 -0.073 0.000 3/24960 340.0 0.343 0.314 0.515 0.000 -0.071 0.000 3/24960 350.0 0.334 0.305 0.502 0.000 -0.069 0.000 3/24960 360.0 0.325 0.297 0.489 0.000 -0.067 0.000 3/24960 370.0 0.316 0.289 0.477 0.000 -0.066 0.000 3/24960 380.0 0.308 0.282 0.466 0.000 -0.064 0.000 3/24960 390.0 0.301 0.275 0.455 0.000 -0.063 0.000 3/24960 400.0 0.294 0.269 0.445 0.000 -0.061 0.000 3/24960 410.0 0.287 0.262 0.435 0.000 -0.060 0.000 3/24960 420.0 0.280 0.256 0.426 0.000 -0.058 0.000 3/24960 430.0 0.274 0.251 0.417 0.000 -0.057 0.000 3/24960 440.0 0.268 0.245 0.408 0.000 -0.056 0.000 3/24960 450.0 0.263 0.240 0.400 0.000 -0.055 0.000 3/24960 460.0 0.257 0.235 0.392 0.000 -0.054 0.000 3/24960 470.0 0.252 0.230 0.385 0.000 -0.053 0.000 3/24960 480.0 0.247 0.226 0.378 0.000 -0.052 0.000 3/24960 490.0 0.242 0.221 0.370 0.000 -0.051 0.000 3/24960 500.0 0.237 0.217 0.364 0.000 -0.050 0.000 3/24960 510.0 0.233 0.213 0.357 0.000 -0.049 0.000 3/24960 520.0 0.229 0.209 0.351 0.000 -0.048 0.000 3/24960 530.0 0.224 0.205 0.345 0.000 -0.047 0.000 3/24960 540.0 0.220 0.202 0.339 0.000 -0.046 0.000 3/24960 550.0 0.217 0.198 0.333 0.000 -0.045 0.000 3/24960 560.0 0.213 0.195 0.328 0.000 -0.045 0.000 3/24960 570.0 0.209 0.191 0.322 0.000 -0.044 0.000 3/24960 580.0 0.206 0.188 0.317 0.000 -0.043 0.000 3/24960 590.0 0.202 0.185 0.312 0.000 -0.042 0.000 3/24960 600.0 0.199 0.182 0.307 0.000 -0.042 0.000 3/24960 610.0 0.196 0.179 0.303 0.000 -0.041 0.000 3/24960 620.0 0.193 0.176 0.298 0.000 -0.040 0.000 3/24960 630.0 0.190 0.174 0.294 0.000 -0.040 0.000 3/24960 640.0 0.187 0.171 0.290 0.000 -0.039 0.000 3/24960 650.0 0.184 0.168 0.285 0.000 -0.039 0.000 3/24960 660.0 0.182 0.166 0.281 0.000 -0.038 0.000 3/24960 670.0 0.179 0.164 0.277 0.000 -0.038 0.000 3/24960 680.0 0.176 0.161 0.274 0.000 -0.037 0.000 3/24960 690.0 0.174 0.159 0.270 0.000 -0.037 0.000 3/24960 700.0 0.172 0.157 0.266 0.000 -0.036 0.000 3/24960 710.0 0.169 0.155 0.263 0.000 -0.036 0.000 3/24960 720.0 0.167 0.153 0.259 0.000 -0.035 0.000 3/24960 730.0 0.165 0.151 0.256 0.000 -0.035 0.000 3/24960 740.0 0.162 0.149 0.253 0.000 -0.034 0.000 3/24960 750.0 0.160 0.147 0.249 0.000 -0.034 0.000 3/24960 760.0 0.158 0.145 0.246 0.000 -0.033 0.000 3/24960 770.0 0.156 0.143 0.243 0.000 -0.033 0.000 3/24960 780.0 0.154 0.141 0.240 0.000 -0.033 0.000 3/24960 790.0 0.152 0.139 0.237 0.000 -0.032 0.000 3/24960 800.0 0.151 0.138 0.235 0.000 -0.032 0.000 3/24960 810.0 0.149 0.136 0.232 0.000 -0.031 0.000 3/24960 820.0 0.147 0.134 0.229 0.000 -0.031 0.000 3/24960 830.0 0.145 0.133 0.226 0.000 -0.031 0.000 3/24960 840.0 0.144 0.131 0.224 0.000 -0.030 0.000 3/24960 850.0 0.142 0.130 0.221 0.000 -0.030 0.000 3/24960 860.0 0.140 0.128 0.219 0.000 -0.030 0.000 3/24960 870.0 0.139 0.127 0.216 0.000 -0.029 0.000 3/24960 880.0 0.137 0.125 0.214 0.000 -0.029 0.000 3/24960 890.0 0.136 0.124 0.212 0.000 -0.029 0.000 3/24960 900.0 0.134 0.123 0.210 0.000 -0.028 0.000 3/24960 910.0 0.133 0.121 0.207 0.000 -0.028 0.000 3/24960 920.0 0.131 0.120 0.205 0.000 -0.028 0.000 3/24960 930.0 0.130 0.119 0.203 0.000 -0.027 0.000 3/24960 940.0 0.129 0.118 0.201 0.000 -0.027 0.000 3/24960 950.0 0.127 0.116 0.199 0.000 -0.027 0.000 3/24960 960.0 0.126 0.115 0.197 0.000 -0.027 0.000 3/24960 970.0 0.125 0.114 0.195 0.000 -0.026 0.000 3/24960 980.0 0.123 0.113 0.193 0.000 -0.026 0.000 3/24960 990.0 0.122 0.112 0.191 0.000 -0.026 0.000 3/24960 1000.0 0.121 0.111 0.189 0.000 -0.026 0.000 3/24960 Thermal conductivity related properties were written into "kappa-m548.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:44:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|