----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:55:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] 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 8.464972200043093 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577753479999998 0.000000000000000 c -8.430056903098720 0.000000000000000 10.560669968646168 Atomic positions (fractional): *1 K 0.78006968768999 0.64401970308193 0.79404109647075 39.098 *2 K 0.19941980167337 0.53222543048225 0.69213917114486 39.098 3 K 0.21993031231001 0.35598029691807 0.20595890352925 39.098 4 K 0.21993031231001 0.14401970308193 0.70595890352925 39.098 5 K 0.19941980167337 0.96777456951775 0.19213917114486 39.098 6 K 0.80058019832663 0.03222543048225 0.80786082885514 39.098 7 K 0.80058019832663 0.46777456951775 0.30786082885514 39.098 8 K 0.78006968768999 0.85598029691807 0.29404109647075 39.098 *9 In 0.73839920140668 0.33327939767449 0.54036723734162 114.818 10 In 0.73839920140668 0.16672060232551 0.04036723734162 114.818 11 In 0.26160079859332 0.83327939767449 0.95963276265838 114.818 12 In 0.26160079859332 0.66672060232551 0.45963276265838 114.818 *13 Si 0.31266995021523 0.54237238991410 0.99574525261286 28.085 14 Si 0.68733004978477 0.45762761008590 0.00425474738714 28.085 *15 Si 0.38687863280769 0.67352171623086 0.21229538274286 28.085 16 Si 0.68733004978477 0.04237238991410 0.50425474738714 28.085 *17 Si 0.70530014380289 0.63103775243472 0.49748377074428 28.085 *18 Si 0.97682023343690 0.66383657350468 0.16528838763539 28.085 19 Si 0.02317976656310 0.33616342649532 0.83471161236461 28.085 20 Si 0.02317976656310 0.16383657350468 0.33471161236461 28.085 21 Si 0.70530014380289 0.86896224756528 0.99748377074428 28.085 22 Si 0.38687863280769 0.82647828376914 0.71229538274286 28.085 23 Si 0.61312136719231 0.17352171623086 0.28770461725714 28.085 24 Si 0.29469985619711 0.36896224756528 0.50251622925572 28.085 25 Si 0.61312136719231 0.32647828376914 0.78770461725714 28.085 26 Si 0.29469985619711 0.13103775243472 0.00251622925572 28.085 27 Si 0.31266995021523 0.95762761008590 0.49574525261286 28.085 28 Si 0.97682023343690 0.83616342649532 0.66528838763539 28.085 *29 O 0.84654229051686 0.93470372866521 0.55469393715077 15.999 *30 O 0.43990486675999 0.14967780979548 0.96541052024814 15.999 *31 O 0.78379807995408 0.14066865353739 0.27051778812987 15.999 *32 O 0.40292138548824 0.56051102480905 0.14396184196904 15.999 *33 O 0.03532490875072 0.15282181302263 0.22100029925413 15.999 *34 O 0.08852196146173 0.28863890629385 0.40632781975281 15.999 35 O 0.56009513324001 0.64967780979548 0.53458947975186 15.999 *36 O 0.21344288758610 0.00239738877184 0.99190811115527 15.999 37 O 0.59707861451176 0.06051102480905 0.35603815803096 15.999 38 O 0.40292138548824 0.93948897519095 0.64396184196904 15.999 39 O 0.56009513324001 0.85032219020452 0.03458947975186 15.999 40 O 0.21620192004593 0.64066865353739 0.22948221187013 15.999 *41 O 0.65720259852594 0.20814071076905 0.86127779283350 15.999 42 O 0.59707861451176 0.43948897519095 0.85603815803096 15.999 *43 O 0.20219732009925 0.84588698840726 0.40904087395387 15.999 44 O 0.03532490875072 0.34717818697737 0.72100029925413 15.999 45 O 0.21344288758610 0.49760261122816 0.49190811115527 15.999 46 O 0.78655711241390 0.50239738877184 0.50809188884473 15.999 47 O 0.34279740147406 0.79185928923095 0.13872220716650 15.999 48 O 0.79780267990075 0.15411301159274 0.59095912604613 15.999 49 O 0.91147803853827 0.78863890629385 0.09367218024719 15.999 50 O 0.21620192004593 0.85933134646261 0.72948221187013 15.999 *51 O 0.39509770937728 0.18203652250437 0.14598089846321 15.999 52 O 0.15345770948314 0.43470372866521 0.94530606284923 15.999 53 O 0.20219732009925 0.65411301159274 0.90904087395387 15.999 54 O 0.34279740147406 0.70814071076905 0.63872220716650 15.999 55 O 0.65720259852594 0.29185928923095 0.36127779283350 15.999 56 O 0.78655711241390 0.99760261122816 0.00809188884473 15.999 57 O 0.96467509124928 0.84717818697737 0.77899970074587 15.999 58 O 0.91147803853827 0.71136109370615 0.59367218024719 15.999 *59 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 60 O 0.15345770948314 0.06529627133479 0.44530606284923 15.999 61 O 0.60490229062272 0.68203652250437 0.35401910153679 15.999 62 O 0.39509770937728 0.31796347749563 0.64598089846321 15.999 63 O 0.08852196146173 0.21136109370615 0.90632781975281 15.999 64 O 0.96467509124928 0.65282181302263 0.27899970074587 15.999 65 O 0.60490229062272 0.81796347749563 0.85401910153679 15.999 66 O 0.78379807995408 0.35933134646261 0.77051778812987 15.999 67 O 0.79780267990075 0.34588698840726 0.09095912604613 15.999 68 O 0.43990486675999 0.35032219020452 0.46541052024814 15.999 69 O 0.84654229051686 0.56529627133479 0.05469393715077 15.999 70 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.464972200043093 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577753479999998 0.000000000000000 c -8.430056903098720 0.000000000000000 10.560669968646168 Atomic positions (fractional): *1 K 0.78006968768999 0.64401970308193 0.79404109647075 39.098 > 1 *2 K 0.19941980167337 0.53222543048225 0.69213917114486 39.098 > 2 3 K 0.21993031231001 0.35598029691807 0.20595890352925 39.098 > 3 4 K 0.21993031231001 0.14401970308193 0.70595890352925 39.098 > 4 5 K 0.19941980167337 0.96777456951775 0.19213917114486 39.098 > 5 6 K 0.80058019832663 0.03222543048225 0.80786082885514 39.098 > 6 7 K 0.80058019832663 0.46777456951775 0.30786082885514 39.098 > 7 8 K 0.78006968768999 0.85598029691807 0.29404109647075 39.098 > 8 *9 In 0.73839920140668 0.33327939767449 0.54036723734162 114.818 > 9 10 In 0.73839920140668 0.16672060232551 0.04036723734162 114.818 > 10 11 In 0.26160079859332 0.83327939767449 0.95963276265838 114.818 > 11 12 In 0.26160079859332 0.66672060232551 0.45963276265838 114.818 > 12 *13 Si 0.31266995021523 0.54237238991410 0.99574525261286 28.085 > 13 14 Si 0.68733004978477 0.45762761008590 0.00425474738714 28.085 > 14 *15 Si 0.38687863280769 0.67352171623086 0.21229538274286 28.085 > 15 16 Si 0.68733004978477 0.04237238991410 0.50425474738714 28.085 > 16 *17 Si 0.70530014380289 0.63103775243472 0.49748377074428 28.085 > 17 *18 Si 0.97682023343690 0.66383657350468 0.16528838763539 28.085 > 18 19 Si 0.02317976656310 0.33616342649532 0.83471161236461 28.085 > 19 20 Si 0.02317976656310 0.16383657350468 0.33471161236461 28.085 > 20 21 Si 0.70530014380289 0.86896224756528 0.99748377074428 28.085 > 21 22 Si 0.38687863280769 0.82647828376914 0.71229538274286 28.085 > 22 23 Si 0.61312136719231 0.17352171623086 0.28770461725714 28.085 > 23 24 Si 0.29469985619711 0.36896224756528 0.50251622925572 28.085 > 24 25 Si 0.61312136719231 0.32647828376914 0.78770461725714 28.085 > 25 26 Si 0.29469985619711 0.13103775243472 0.00251622925572 28.085 > 26 27 Si 0.31266995021523 0.95762761008590 0.49574525261286 28.085 > 27 28 Si 0.97682023343690 0.83616342649532 0.66528838763539 28.085 > 28 *29 O 0.84654229051686 0.93470372866521 0.55469393715077 15.999 > 29 *30 O 0.43990486675999 0.14967780979548 0.96541052024814 15.999 > 30 *31 O 0.78379807995408 0.14066865353739 0.27051778812987 15.999 > 31 *32 O 0.40292138548824 0.56051102480905 0.14396184196904 15.999 > 32 *33 O 0.03532490875072 0.15282181302263 0.22100029925413 15.999 > 33 *34 O 0.08852196146173 0.28863890629385 0.40632781975281 15.999 > 34 35 O 0.56009513324001 0.64967780979548 0.53458947975186 15.999 > 35 *36 O 0.21344288758610 0.00239738877184 0.99190811115527 15.999 > 36 37 O 0.59707861451176 0.06051102480905 0.35603815803096 15.999 > 37 38 O 0.40292138548824 0.93948897519095 0.64396184196904 15.999 > 38 39 O 0.56009513324001 0.85032219020452 0.03458947975186 15.999 > 39 40 O 0.21620192004593 0.64066865353739 0.22948221187013 15.999 > 40 *41 O 0.65720259852594 0.20814071076905 0.86127779283350 15.999 > 41 42 O 0.59707861451176 0.43948897519095 0.85603815803096 15.999 > 42 *43 O 0.20219732009925 0.84588698840726 0.40904087395387 15.999 > 43 44 O 0.03532490875072 0.34717818697737 0.72100029925413 15.999 > 44 45 O 0.21344288758610 0.49760261122816 0.49190811115527 15.999 > 45 46 O 0.78655711241390 0.50239738877184 0.50809188884473 15.999 > 46 47 O 0.34279740147406 0.79185928923095 0.13872220716650 15.999 > 47 48 O 0.79780267990075 0.15411301159274 0.59095912604613 15.999 > 48 49 O 0.91147803853827 0.78863890629385 0.09367218024719 15.999 > 49 50 O 0.21620192004593 0.85933134646261 0.72948221187013 15.999 > 50 *51 O 0.39509770937728 0.18203652250437 0.14598089846321 15.999 > 51 52 O 0.15345770948314 0.43470372866521 0.94530606284923 15.999 > 52 53 O 0.20219732009925 0.65411301159274 0.90904087395387 15.999 > 53 54 O 0.34279740147406 0.70814071076905 0.63872220716650 15.999 > 54 55 O 0.65720259852594 0.29185928923095 0.36127779283350 15.999 > 55 56 O 0.78655711241390 0.99760261122816 0.00809188884473 15.999 > 56 57 O 0.96467509124928 0.84717818697737 0.77899970074587 15.999 > 57 58 O 0.91147803853827 0.71136109370615 0.59367218024719 15.999 > 58 *59 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 59 60 O 0.15345770948314 0.06529627133479 0.44530606284923 15.999 > 60 61 O 0.60490229062272 0.68203652250437 0.35401910153679 15.999 > 61 62 O 0.39509770937728 0.31796347749563 0.64598089846321 15.999 > 62 63 O 0.08852196146173 0.21136109370615 0.90632781975281 15.999 > 63 64 O 0.96467509124928 0.65282181302263 0.27899970074587 15.999 > 64 65 O 0.60490229062272 0.81796347749563 0.85401910153679 15.999 > 65 66 O 0.78379807995408 0.35933134646261 0.77051778812987 15.999 > 66 67 O 0.79780267990075 0.34588698840726 0.09095912604613 15.999 > 67 68 O 0.43990486675999 0.35032219020452 0.46541052024814 15.999 > 68 69 O 0.84654229051686 0.56529627133479 0.05469393715077 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 70 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.929944400086185 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577753479999998 0.000000000000000 c -8.430056903098720 0.000000000000000 10.560669968646168 Atomic positions (fractional): *1 K 0.39003484384499 0.64401970308193 0.79404109647075 39.098 > 1 2 K 0.89003484384499 0.64401970308193 0.79404109647075 39.098 > 1 *3 K 0.09970990083669 0.53222543048225 0.69213917114486 39.098 > 2 4 K 0.59970990083669 0.53222543048225 0.69213917114486 39.098 > 2 5 K 0.10996515615501 0.35598029691807 0.20595890352925 39.098 > 3 6 K 0.60996515615501 0.35598029691807 0.20595890352925 39.098 > 3 7 K 0.10996515615501 0.14401970308193 0.70595890352925 39.098 > 4 8 K 0.60996515615501 0.14401970308193 0.70595890352925 39.098 > 4 9 K 0.09970990083669 0.96777456951775 0.19213917114486 39.098 > 5 10 K 0.59970990083669 0.96777456951775 0.19213917114486 39.098 > 5 11 K 0.40029009916331 0.03222543048225 0.80786082885514 39.098 > 6 12 K 0.90029009916331 0.03222543048225 0.80786082885514 39.098 > 6 13 K 0.40029009916331 0.46777456951775 0.30786082885514 39.098 > 7 14 K 0.90029009916331 0.46777456951775 0.30786082885514 39.098 > 7 15 K 0.39003484384499 0.85598029691807 0.29404109647075 39.098 > 8 16 K 0.89003484384499 0.85598029691807 0.29404109647075 39.098 > 8 *17 In 0.36919960070334 0.33327939767449 0.54036723734162 114.818 > 9 18 In 0.86919960070334 0.33327939767449 0.54036723734162 114.818 > 9 19 In 0.36919960070334 0.16672060232551 0.04036723734162 114.818 > 10 20 In 0.86919960070334 0.16672060232551 0.04036723734162 114.818 > 10 21 In 0.13080039929666 0.83327939767449 0.95963276265838 114.818 > 11 22 In 0.63080039929666 0.83327939767449 0.95963276265838 114.818 > 11 23 In 0.13080039929666 0.66672060232551 0.45963276265838 114.818 > 12 24 In 0.63080039929666 0.66672060232551 0.45963276265838 114.818 > 12 *25 Si 0.15633497510761 0.54237238991410 0.99574525261286 28.085 > 13 26 Si 0.65633497510761 0.54237238991410 0.99574525261286 28.085 > 13 27 Si 0.34366502489238 0.45762761008590 0.00425474738714 28.085 > 14 28 Si 0.84366502489238 0.45762761008590 0.00425474738714 28.085 > 14 *29 Si 0.19343931640385 0.67352171623086 0.21229538274286 28.085 > 15 30 Si 0.69343931640385 0.67352171623086 0.21229538274286 28.085 > 15 31 Si 0.34366502489238 0.04237238991410 0.50425474738714 28.085 > 16 32 Si 0.84366502489238 0.04237238991410 0.50425474738714 28.085 > 16 *33 Si 0.35265007190144 0.63103775243472 0.49748377074428 28.085 > 17 34 Si 0.85265007190144 0.63103775243472 0.49748377074428 28.085 > 17 *35 Si 0.48841011671845 0.66383657350468 0.16528838763539 28.085 > 18 36 Si 0.98841011671845 0.66383657350468 0.16528838763539 28.085 > 18 37 Si 0.01158988328155 0.33616342649532 0.83471161236461 28.085 > 19 38 Si 0.51158988328155 0.33616342649532 0.83471161236461 28.085 > 19 39 Si 0.01158988328155 0.16383657350468 0.33471161236461 28.085 > 20 40 Si 0.51158988328155 0.16383657350468 0.33471161236461 28.085 > 20 41 Si 0.35265007190144 0.86896224756528 0.99748377074428 28.085 > 21 42 Si 0.85265007190144 0.86896224756528 0.99748377074428 28.085 > 21 43 Si 0.19343931640385 0.82647828376914 0.71229538274286 28.085 > 22 44 Si 0.69343931640385 0.82647828376914 0.71229538274286 28.085 > 22 45 Si 0.30656068359615 0.17352171623086 0.28770461725714 28.085 > 23 46 Si 0.80656068359615 0.17352171623086 0.28770461725714 28.085 > 23 47 Si 0.14734992809856 0.36896224756528 0.50251622925572 28.085 > 24 48 Si 0.64734992809856 0.36896224756528 0.50251622925572 28.085 > 24 49 Si 0.30656068359615 0.32647828376914 0.78770461725714 28.085 > 25 50 Si 0.80656068359615 0.32647828376914 0.78770461725714 28.085 > 25 51 Si 0.14734992809856 0.13103775243472 0.00251622925572 28.085 > 26 52 Si 0.64734992809856 0.13103775243472 0.00251622925572 28.085 > 26 53 Si 0.15633497510761 0.95762761008590 0.49574525261286 28.085 > 27 54 Si 0.65633497510761 0.95762761008590 0.49574525261286 28.085 > 27 55 Si 0.48841011671845 0.83616342649532 0.66528838763539 28.085 > 28 56 Si 0.98841011671845 0.83616342649532 0.66528838763539 28.085 > 28 *57 O 0.42327114525843 0.93470372866521 0.55469393715077 15.999 > 29 58 O 0.92327114525843 0.93470372866521 0.55469393715077 15.999 > 29 *59 O 0.21995243338000 0.14967780979548 0.96541052024814 15.999 > 30 60 O 0.71995243338000 0.14967780979548 0.96541052024814 15.999 > 30 *61 O 0.39189903997704 0.14066865353739 0.27051778812987 15.999 > 31 62 O 0.89189903997704 0.14066865353739 0.27051778812987 15.999 > 31 *63 O 0.20146069274412 0.56051102480905 0.14396184196904 15.999 > 32 64 O 0.70146069274412 0.56051102480905 0.14396184196904 15.999 > 32 *65 O 0.01766245437536 0.15282181302263 0.22100029925413 15.999 > 33 66 O 0.51766245437536 0.15282181302263 0.22100029925413 15.999 > 33 *67 O 0.04426098073087 0.28863890629385 0.40632781975281 15.999 > 34 68 O 0.54426098073087 0.28863890629385 0.40632781975281 15.999 > 34 69 O 0.28004756662000 0.64967780979548 0.53458947975186 15.999 > 35 70 O 0.78004756662000 0.64967780979548 0.53458947975186 15.999 > 35 *71 O 0.10672144379305 0.00239738877184 0.99190811115527 15.999 > 36 72 O 0.60672144379305 0.00239738877184 0.99190811115527 15.999 > 36 73 O 0.29853930725588 0.06051102480905 0.35603815803096 15.999 > 37 74 O 0.79853930725588 0.06051102480905 0.35603815803096 15.999 > 37 75 O 0.20146069274412 0.93948897519095 0.64396184196904 15.999 > 38 76 O 0.70146069274412 0.93948897519095 0.64396184196904 15.999 > 38 77 O 0.28004756662000 0.85032219020452 0.03458947975186 15.999 > 39 78 O 0.78004756662000 0.85032219020452 0.03458947975186 15.999 > 39 79 O 0.10810096002296 0.64066865353739 0.22948221187013 15.999 > 40 80 O 0.60810096002296 0.64066865353739 0.22948221187013 15.999 > 40 *81 O 0.32860129926297 0.20814071076905 0.86127779283350 15.999 > 41 82 O 0.82860129926297 0.20814071076905 0.86127779283350 15.999 > 41 83 O 0.29853930725588 0.43948897519095 0.85603815803096 15.999 > 42 84 O 0.79853930725588 0.43948897519095 0.85603815803096 15.999 > 42 *85 O 0.10109866004962 0.84588698840726 0.40904087395387 15.999 > 43 86 O 0.60109866004962 0.84588698840726 0.40904087395387 15.999 > 43 87 O 0.01766245437536 0.34717818697737 0.72100029925413 15.999 > 44 88 O 0.51766245437536 0.34717818697737 0.72100029925413 15.999 > 44 89 O 0.10672144379305 0.49760261122816 0.49190811115527 15.999 > 45 90 O 0.60672144379305 0.49760261122816 0.49190811115527 15.999 > 45 91 O 0.39327855620695 0.50239738877184 0.50809188884473 15.999 > 46 92 O 0.89327855620695 0.50239738877184 0.50809188884473 15.999 > 46 93 O 0.17139870073703 0.79185928923095 0.13872220716650 15.999 > 47 94 O 0.67139870073703 0.79185928923095 0.13872220716650 15.999 > 47 95 O 0.39890133995038 0.15411301159274 0.59095912604613 15.999 > 48 96 O 0.89890133995038 0.15411301159274 0.59095912604613 15.999 > 48 97 O 0.45573901926913 0.78863890629385 0.09367218024719 15.999 > 49 98 O 0.95573901926913 0.78863890629385 0.09367218024719 15.999 > 49 99 O 0.10810096002296 0.85933134646261 0.72948221187013 15.999 > 50 100 O 0.60810096002296 0.85933134646261 0.72948221187013 15.999 > 50 *101 O 0.19754885468864 0.18203652250437 0.14598089846321 15.999 > 51 102 O 0.69754885468864 0.18203652250437 0.14598089846321 15.999 > 51 103 O 0.07672885474157 0.43470372866521 0.94530606284923 15.999 > 52 104 O 0.57672885474157 0.43470372866521 0.94530606284923 15.999 > 52 105 O 0.10109866004962 0.65411301159274 0.90904087395387 15.999 > 53 106 O 0.60109866004962 0.65411301159274 0.90904087395387 15.999 > 53 107 O 0.17139870073703 0.70814071076905 0.63872220716650 15.999 > 54 108 O 0.67139870073703 0.70814071076905 0.63872220716650 15.999 > 54 109 O 0.32860129926297 0.29185928923095 0.36127779283350 15.999 > 55 110 O 0.82860129926297 0.29185928923095 0.36127779283350 15.999 > 55 111 O 0.39327855620695 0.99760261122816 0.00809188884473 15.999 > 56 112 O 0.89327855620695 0.99760261122816 0.00809188884473 15.999 > 56 113 O 0.48233754562464 0.84717818697737 0.77899970074587 15.999 > 57 114 O 0.98233754562464 0.84717818697737 0.77899970074587 15.999 > 57 115 O 0.45573901926913 0.71136109370615 0.59367218024719 15.999 > 58 116 O 0.95573901926913 0.71136109370615 0.59367218024719 15.999 > 58 *117 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 59 118 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 59 119 O 0.07672885474157 0.06529627133479 0.44530606284923 15.999 > 60 120 O 0.57672885474157 0.06529627133479 0.44530606284923 15.999 > 60 121 O 0.30245114531136 0.68203652250437 0.35401910153679 15.999 > 61 122 O 0.80245114531136 0.68203652250437 0.35401910153679 15.999 > 61 123 O 0.19754885468864 0.31796347749563 0.64598089846321 15.999 > 62 124 O 0.69754885468864 0.31796347749563 0.64598089846321 15.999 > 62 125 O 0.04426098073087 0.21136109370615 0.90632781975281 15.999 > 63 126 O 0.54426098073087 0.21136109370615 0.90632781975281 15.999 > 63 127 O 0.48233754562464 0.65282181302263 0.27899970074587 15.999 > 64 128 O 0.98233754562464 0.65282181302263 0.27899970074587 15.999 > 64 129 O 0.30245114531136 0.81796347749563 0.85401910153679 15.999 > 65 130 O 0.80245114531136 0.81796347749563 0.85401910153679 15.999 > 65 131 O 0.39189903997704 0.35933134646261 0.77051778812987 15.999 > 66 132 O 0.89189903997704 0.35933134646261 0.77051778812987 15.999 > 66 133 O 0.39890133995038 0.34588698840726 0.09095912604613 15.999 > 67 134 O 0.89890133995038 0.34588698840726 0.09095912604613 15.999 > 67 135 O 0.21995243338000 0.35032219020452 0.46541052024814 15.999 > 68 136 O 0.71995243338000 0.35032219020452 0.46541052024814 15.999 > 68 137 O 0.42327114525843 0.56529627133479 0.05469393715077 15.999 > 69 138 O 0.92327114525843 0.56529627133479 0.05469393715077 15.999 > 69 139 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 70 140 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 70 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5509636 0.0000000 0.0183039 0.0000000 2.6194545 0.0000000 0.0183027 0.0000000 2.6296281 -------------------------- Born effective charges -------------------------- 1 K 1.2707943 0.0224147 0.0244547 0.0030966 1.1594314 -0.0346697 0.0376626 -0.0319553 1.2260947 2 K 1.3092628 0.0368756 -0.0024904 0.0275504 1.1835311 -0.0508127 -0.0044086 -0.0586027 1.1336511 3 K 1.2707943 0.0224147 0.0244547 0.0030966 1.1594314 -0.0346697 0.0376626 -0.0319553 1.2260947 4 K 1.2707943 -0.0224147 0.0244547 -0.0030966 1.1594314 0.0346697 0.0376626 0.0319553 1.2260947 5 K 1.3092628 -0.0368756 -0.0024904 -0.0275504 1.1835311 0.0508127 -0.0044086 0.0586027 1.1336511 6 K 1.3092628 -0.0368756 -0.0024904 -0.0275504 1.1835311 0.0508127 -0.0044086 0.0586027 1.1336511 7 K 1.3092628 0.0368756 -0.0024904 0.0275504 1.1835311 -0.0508127 -0.0044086 -0.0586027 1.1336511 8 K 1.2707943 -0.0224147 0.0244547 -0.0030966 1.1594314 0.0346697 0.0376626 0.0319553 1.2260947 9 In 2.6459457 -0.0895254 -0.0468073 -0.0073621 3.3300299 0.0293210 0.0022821 0.0328014 3.1595644 10 In 2.6459457 0.0895254 -0.0468073 0.0073621 3.3300299 -0.0293210 0.0022821 -0.0328014 3.1595644 11 In 2.6459457 0.0895254 -0.0468073 0.0073621 3.3300299 -0.0293210 0.0022821 -0.0328014 3.1595644 12 In 2.6459457 -0.0895254 -0.0468073 -0.0073621 3.3300299 0.0293210 0.0022821 0.0328014 3.1595644 13 Si 3.2170582 -0.0801810 -0.1680510 -0.1944850 3.4415168 0.1133516 0.1632862 0.3481658 2.9061537 14 Si 3.2170582 -0.0801810 -0.1680510 -0.1944850 3.4415168 0.1133516 0.1632862 0.3481658 2.9061537 15 Si 3.1380977 0.1332615 -0.3860228 -0.1337023 2.7165025 -0.1994193 -0.1010072 -0.1035604 3.3761541 16 Si 3.2170582 0.0801810 -0.1680510 0.1944850 3.4415168 -0.1133516 0.1632862 -0.3481658 2.9061537 17 Si 3.0026878 0.0498765 -0.0306768 -0.1438914 3.2542751 0.2669487 0.2901258 -0.1051425 3.1316674 18 Si 2.8365607 -0.1663606 0.6654225 0.1132933 3.1892384 0.2173573 -0.2978335 -0.1734225 3.3452910 19 Si 2.8365607 -0.1663606 0.6654225 0.1132933 3.1892384 0.2173573 -0.2978335 -0.1734225 3.3452910 20 Si 2.8365607 0.1663606 0.6654225 -0.1132933 3.1892384 -0.2173573 -0.2978335 0.1734225 3.3452910 21 Si 3.0026878 -0.0498765 -0.0306768 0.1438914 3.2542751 -0.2669487 0.2901258 0.1051425 3.1316674 22 Si 3.1380977 -0.1332615 -0.3860228 0.1337023 2.7165025 0.1994193 -0.1010072 0.1035604 3.3761541 23 Si 3.1380977 -0.1332615 -0.3860228 0.1337023 2.7165025 0.1994193 -0.1010072 0.1035604 3.3761541 24 Si 3.0026878 0.0498765 -0.0306768 -0.1438914 3.2542751 0.2669487 0.2901258 -0.1051425 3.1316674 25 Si 3.1380977 0.1332615 -0.3860228 -0.1337023 2.7165025 -0.1994193 -0.1010072 -0.1035604 3.3761541 26 Si 3.0026878 -0.0498765 -0.0306768 0.1438914 3.2542751 -0.2669487 0.2901258 0.1051425 3.1316674 27 Si 3.2170582 0.0801810 -0.1680510 0.1944850 3.4415168 -0.1133516 0.1632862 -0.3481658 2.9061537 28 Si 2.8365607 0.1663606 0.6654225 -0.1132933 3.1892384 -0.2173573 -0.2978335 0.1734225 3.3452910 29 O -1.3127574 0.5456906 -0.3724047 0.5117839 -2.3407841 0.8274654 -0.2469006 0.7728987 -1.6841807 30 O -2.4906499 -0.2007727 0.0065956 -0.2167923 -1.2006615 0.0352144 -0.0467177 -0.0013551 -1.3024328 31 O -2.8356653 0.0844489 -0.1491228 0.0621646 -1.0602716 -0.0532943 -0.0476383 -0.0966769 -1.3718571 32 O -1.3608829 0.3953560 0.5611863 0.3754872 -1.6447181 -0.3968656 0.4335327 -0.4331923 -2.1148862 33 O -1.4066250 0.0457854 -0.0561581 0.0788620 -1.2898252 0.0281053 0.2236722 -0.0497987 -2.1994662 34 O -1.4110247 -0.4715764 -0.4944951 -0.3056251 -2.2481731 -0.7965898 -0.3702218 -0.8387065 -1.7076113 35 O -2.4906499 0.2007727 0.0065956 0.2167923 -1.2006615 -0.0352144 -0.0467177 0.0013551 -1.3024328 36 O -1.3692472 -0.0640512 0.0310329 -0.2345389 -2.5432486 -0.1161329 -0.0488052 -0.2825102 -1.2611141 37 O -1.3608829 -0.3953560 0.5611863 -0.3754872 -1.6447181 0.3968656 0.4335327 0.4331923 -2.1148862 38 O -1.3608829 -0.3953560 0.5611863 -0.3754872 -1.6447181 0.3968656 0.4335327 0.4331923 -2.1148862 39 O -2.4906499 -0.2007727 0.0065956 -0.2167923 -1.2006615 0.0352144 -0.0467177 -0.0013551 -1.3024328 40 O -2.8356653 -0.0844489 -0.1491228 -0.0621646 -1.0602716 0.0532943 -0.0476383 0.0966769 -1.3718571 41 O -1.3531525 -0.2591480 0.4623740 -0.1061327 -1.7737512 0.4191211 0.3072779 0.5100699 -1.8156271 42 O -1.3608829 0.3953560 0.5611863 0.3754872 -1.6447181 -0.3968656 0.4335327 -0.4331923 -2.1148862 43 O -1.1532792 -0.0406546 -0.0182370 -0.1015290 -2.3058439 -0.3097276 -0.0556935 -0.1668101 -1.4347878 44 O -1.4066250 -0.0457854 -0.0561581 -0.0788620 -1.2898252 -0.0281053 0.2236722 0.0497987 -2.1994662 45 O -1.3692472 0.0640512 0.0310329 0.2345389 -2.5432486 0.1161329 -0.0488052 0.2825102 -1.2611141 46 O -1.3692472 0.0640512 0.0310329 0.2345389 -2.5432486 0.1161329 -0.0488052 0.2825102 -1.2611141 47 O -1.3531525 -0.2591480 0.4623740 -0.1061327 -1.7737512 0.4191211 0.3072779 0.5100699 -1.8156271 48 O -1.1532792 -0.0406546 -0.0182370 -0.1015290 -2.3058439 -0.3097276 -0.0556935 -0.1668101 -1.4347878 49 O -1.4110247 0.4715764 -0.4944951 0.3056251 -2.2481731 0.7965898 -0.3702218 0.8387065 -1.7076113 50 O -2.8356653 0.0844489 -0.1491228 0.0621646 -1.0602716 -0.0532943 -0.0476383 -0.0966769 -1.3718571 51 O -1.2209127 0.1163637 0.0214160 0.0303068 -1.1853725 -0.3424696 -0.1415272 -0.4033136 -2.8512796 52 O -1.3127574 -0.5456906 -0.3724047 -0.5117839 -2.3407841 -0.8274654 -0.2469006 -0.7728987 -1.6841807 53 O -1.1532792 0.0406546 -0.0182370 0.1015290 -2.3058439 0.3097276 -0.0556935 0.1668101 -1.4347878 54 O -1.3531525 0.2591480 0.4623740 0.1061327 -1.7737512 -0.4191211 0.3072779 -0.5100699 -1.8156271 55 O -1.3531525 0.2591480 0.4623740 0.1061327 -1.7737512 -0.4191211 0.3072779 -0.5100699 -1.8156271 56 O -1.3692472 -0.0640512 0.0310329 -0.2345389 -2.5432486 -0.1161329 -0.0488052 -0.2825102 -1.2611141 57 O -1.4066250 0.0457854 -0.0561581 0.0788620 -1.2898252 0.0281053 0.2236722 -0.0497987 -2.1994662 58 O -1.4110247 -0.4715764 -0.4944951 -0.3056251 -2.2481731 -0.7965898 -0.3702218 -0.8387065 -1.7076113 59 O -3.0124207 0.6767004 -0.0960321 0.7900727 -1.3637503 0.0383874 -0.1941719 -0.0057693 -1.0706663 60 O -1.3127574 0.5456906 -0.3724047 0.5117839 -2.3407841 0.8274654 -0.2469006 0.7728987 -1.6841807 61 O -1.2209127 -0.1163637 0.0214160 -0.0303068 -1.1853725 0.3424696 -0.1415272 0.4033136 -2.8512796 62 O -1.2209127 -0.1163637 0.0214160 -0.0303068 -1.1853725 0.3424696 -0.1415272 0.4033136 -2.8512796 63 O -1.4110247 0.4715764 -0.4944951 0.3056251 -2.2481731 0.7965898 -0.3702218 0.8387065 -1.7076113 64 O -1.4066250 -0.0457854 -0.0561581 -0.0788620 -1.2898252 -0.0281053 0.2236722 0.0497987 -2.1994662 65 O -1.2209127 0.1163637 0.0214160 0.0303068 -1.1853725 -0.3424696 -0.1415272 -0.4033136 -2.8512796 66 O -2.8356653 -0.0844489 -0.1491228 -0.0621646 -1.0602716 0.0532943 -0.0476383 0.0966769 -1.3718571 67 O -1.1532792 0.0406546 -0.0182370 0.1015290 -2.3058439 0.3097276 -0.0556935 0.1668101 -1.4347878 68 O -2.4906499 0.2007727 0.0065956 0.2167923 -1.2006615 -0.0352144 -0.0467177 0.0013551 -1.3024328 69 O -1.3127574 -0.5456906 -0.3724047 -0.5117839 -2.3407841 -0.8274654 -0.2469006 -0.7728987 -1.6841807 70 O -3.0124207 -0.6767004 -0.0960321 -0.7900727 -1.3637503 -0.0383874 -0.1941719 0.0057693 -1.0706663 ---------------------------------------------------------------------------- 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: 420/420 Permutation basis: 44310/44310 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11244 Number of blocks in projector: 11244 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: 2452 Use submatrix version of eigh solver. (1) Block: 500 / 2452 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2452 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2452 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2452 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2452 / 2452 (1) 425 eigenvectors found. (1) Complementary block size: 163 (1) Compute compressed projector. (1) Use standard solver. (1) 127 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2452 Use submatrix version of eigh solver. (1) Block: 500 / 2452 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2452 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2452 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2452 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2452 / 2452 (1) 425 eigenvectors found. (1) Complementary block size: 163 (1) Compute compressed projector. (1) Use standard solver. (1) 127 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2452 Use submatrix version of eigh solver. (1) Block: 500 / 2452 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2452 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2452 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 2000 / 2452 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2452 / 2452 (1) 437 eigenvectors found. (1) Complementary block size: 133 (1) Compute compressed projector. (1) Use standard solver. (1) 98 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11244, 11083), data: False |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 278), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 278), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 278), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2452, 2417), data: False |-- (2452, 98), data: (2452, 133) @ (133, 98) |-- (452, 437), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2452, 2416), data: False |-- (2452, 127), data: (2452, 163) @ (163, 127) |-- (452, 425), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 466), data: False |-- (500, 25), data: (500, 59) @ (59, 25) |-- (250, 216), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 24), data: (500, 56) @ (56, 24) |-- (250, 220), data: True |-- (250, 224), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True |-- (2452, 2416), data: False |-- (2452, 127), data: (2452, 163) @ (163, 127) |-- (452, 425), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 466), data: False |-- (500, 25), data: (500, 59) @ (59, 25) |-- (250, 216), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 24), data: (500, 56) @ (56, 24) |-- (250, 220), data: True |-- (250, 224), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True ----- Solver_atoms: 1 -- 140 / 140 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2160 - Time: 6.022 Solver_block: 200 / 2160 - Time: 4.651 Solver_block: 300 / 2160 - Time: 4.229 Solver_block: 400 / 2160 - Time: 4.144 Solver_block: 500 / 2160 - Time: 3.930 Solver_block: 600 / 2160 - Time: 4.208 Solver_block: 700 / 2160 - Time: 5.983 Solver_block: 800 / 2160 - Time: 4.638 Solver_block: 900 / 2160 - Time: 4.375 Solver_block: 1000 / 2160 - Time: 3.408 Solver_block: 1100 / 2160 - Time: 3.536 Solver_block: 1200 / 2160 - Time: 3.502 Solver_block: 1300 / 2160 - Time: 3.311 Solver_block: 1400 / 2160 - Time: 3.412 Solver_block: 1500 / 2160 - Time: 3.214 Solver_block: 1600 / 2160 - Time: 4.059 Solver_block: 1700 / 2160 - Time: 3.445 Solver_block: 1800 / 2160 - Time: 3.275 Solver_block: 1900 / 2160 - Time: 7.288 Solver_block: 2000 / 2160 - Time: 5.500 Solver_block: 2100 / 2160 - Time: 7.680 Solver_block: 2160 / 2160 - Time: 3.210 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 101.448 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 420/420 Permutation basis: 44310/44310 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11244 Number of blocks in projector: 11244 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: 2452 Use submatrix version of eigh solver. (1) Block: 500 / 2452 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2452 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2452 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2452 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2452 / 2452 (1) 425 eigenvectors found. (1) Complementary block size: 163 (1) Compute compressed projector. (1) Use standard solver. (1) 127 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2452 Use submatrix version of eigh solver. (1) Block: 500 / 2452 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2452 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2452 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2452 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2452 / 2452 (1) 425 eigenvectors found. (1) Complementary block size: 163 (1) Compute compressed projector. (1) Use standard solver. (1) 127 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2452 Use submatrix version of eigh solver. (1) Block: 500 / 2452 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2452 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2452 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 2000 / 2452 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2452 / 2452 (1) 437 eigenvectors found. (1) Complementary block size: 133 (1) Compute compressed projector. (1) Use standard solver. (1) 98 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11244, 11083), data: False |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 278), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 278), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 278), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2452, 2417), data: False |-- (2452, 98), data: (2452, 133) @ (133, 98) |-- (452, 437), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2452, 2416), data: False |-- (2452, 127), data: (2452, 163) @ (163, 127) |-- (452, 425), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 466), data: False |-- (500, 25), data: (500, 59) @ (59, 25) |-- (250, 216), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 24), data: (500, 56) @ (56, 24) |-- (250, 220), data: True |-- (250, 224), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True |-- (2452, 2416), data: False |-- (2452, 127), data: (2452, 163) @ (163, 127) |-- (452, 425), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 466), data: False |-- (500, 25), data: (500, 59) @ (59, 25) |-- (250, 216), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 24), data: (500, 56) @ (56, 24) |-- (250, 220), data: True |-- (250, 224), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), 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 10:59:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:59:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.464972200043093 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577753479999998 0.000000000000000 c -8.430056903098720 0.000000000000000 10.560669968646168 Atomic positions (fractional): 1 K 0.78006968768999 0.64401970308193 0.79404109647075 39.098 2 K 0.19941980167337 0.53222543048225 0.69213917114486 39.098 3 K 0.21993031231001 0.35598029691807 0.20595890352925 39.098 4 K 0.21993031231001 0.14401970308193 0.70595890352925 39.098 5 K 0.19941980167337 0.96777456951775 0.19213917114486 39.098 6 K 0.80058019832663 0.03222543048225 0.80786082885514 39.098 7 K 0.80058019832663 0.46777456951775 0.30786082885514 39.098 8 K 0.78006968768999 0.85598029691807 0.29404109647075 39.098 9 In 0.73839920140668 0.33327939767449 0.54036723734162 114.818 10 In 0.73839920140668 0.16672060232551 0.04036723734162 114.818 11 In 0.26160079859332 0.83327939767449 0.95963276265838 114.818 12 In 0.26160079859332 0.66672060232551 0.45963276265838 114.818 13 Si 0.31266995021523 0.54237238991410 0.99574525261286 28.085 14 Si 0.68733004978477 0.45762761008590 0.00425474738714 28.085 15 Si 0.38687863280769 0.67352171623086 0.21229538274286 28.085 16 Si 0.68733004978477 0.04237238991410 0.50425474738714 28.085 17 Si 0.70530014380289 0.63103775243472 0.49748377074428 28.085 18 Si 0.97682023343690 0.66383657350468 0.16528838763539 28.085 19 Si 0.02317976656310 0.33616342649532 0.83471161236461 28.085 20 Si 0.02317976656310 0.16383657350468 0.33471161236461 28.085 21 Si 0.70530014380289 0.86896224756528 0.99748377074428 28.085 22 Si 0.38687863280769 0.82647828376914 0.71229538274286 28.085 23 Si 0.61312136719231 0.17352171623086 0.28770461725714 28.085 24 Si 0.29469985619711 0.36896224756528 0.50251622925572 28.085 25 Si 0.61312136719231 0.32647828376914 0.78770461725714 28.085 26 Si 0.29469985619711 0.13103775243472 0.00251622925572 28.085 27 Si 0.31266995021523 0.95762761008590 0.49574525261286 28.085 28 Si 0.97682023343690 0.83616342649532 0.66528838763539 28.085 29 O 0.84654229051686 0.93470372866521 0.55469393715077 15.999 30 O 0.43990486675999 0.14967780979548 0.96541052024814 15.999 31 O 0.78379807995408 0.14066865353739 0.27051778812987 15.999 32 O 0.40292138548824 0.56051102480905 0.14396184196904 15.999 33 O 0.03532490875072 0.15282181302263 0.22100029925413 15.999 34 O 0.08852196146173 0.28863890629385 0.40632781975281 15.999 35 O 0.56009513324001 0.64967780979548 0.53458947975186 15.999 36 O 0.21344288758610 0.00239738877184 0.99190811115527 15.999 37 O 0.59707861451176 0.06051102480905 0.35603815803096 15.999 38 O 0.40292138548824 0.93948897519095 0.64396184196904 15.999 39 O 0.56009513324001 0.85032219020452 0.03458947975186 15.999 40 O 0.21620192004593 0.64066865353739 0.22948221187013 15.999 41 O 0.65720259852594 0.20814071076905 0.86127779283350 15.999 42 O 0.59707861451176 0.43948897519095 0.85603815803096 15.999 43 O 0.20219732009925 0.84588698840726 0.40904087395387 15.999 44 O 0.03532490875072 0.34717818697737 0.72100029925413 15.999 45 O 0.21344288758610 0.49760261122816 0.49190811115527 15.999 46 O 0.78655711241390 0.50239738877184 0.50809188884473 15.999 47 O 0.34279740147406 0.79185928923095 0.13872220716650 15.999 48 O 0.79780267990075 0.15411301159274 0.59095912604613 15.999 49 O 0.91147803853827 0.78863890629385 0.09367218024719 15.999 50 O 0.21620192004593 0.85933134646261 0.72948221187013 15.999 51 O 0.39509770937728 0.18203652250437 0.14598089846321 15.999 52 O 0.15345770948314 0.43470372866521 0.94530606284923 15.999 53 O 0.20219732009925 0.65411301159274 0.90904087395387 15.999 54 O 0.34279740147406 0.70814071076905 0.63872220716650 15.999 55 O 0.65720259852594 0.29185928923095 0.36127779283350 15.999 56 O 0.78655711241390 0.99760261122816 0.00809188884473 15.999 57 O 0.96467509124928 0.84717818697737 0.77899970074587 15.999 58 O 0.91147803853827 0.71136109370615 0.59367218024719 15.999 59 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 60 O 0.15345770948314 0.06529627133479 0.44530606284923 15.999 61 O 0.60490229062272 0.68203652250437 0.35401910153679 15.999 62 O 0.39509770937728 0.31796347749563 0.64598089846321 15.999 63 O 0.08852196146173 0.21136109370615 0.90632781975281 15.999 64 O 0.96467509124928 0.65282181302263 0.27899970074587 15.999 65 O 0.60490229062272 0.81796347749563 0.85401910153679 15.999 66 O 0.78379807995408 0.35933134646261 0.77051778812987 15.999 67 O 0.79780267990075 0.34588698840726 0.09095912604613 15.999 68 O 0.43990486675999 0.35032219020452 0.46541052024814 15.999 69 O 0.84654229051686 0.56529627133479 0.05469393715077 15.999 70 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.929944400086185 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577753479999998 0.000000000000000 c -8.430056903098720 0.000000000000000 10.560669968646168 Atomic positions (fractional): 1 K 0.39003484384499 0.64401970308193 0.79404109647075 39.098 > 1 2 K 0.89003484384499 0.64401970308193 0.79404109647075 39.098 > 1 3 K 0.09970990083669 0.53222543048225 0.69213917114486 39.098 > 3 4 K 0.59970990083669 0.53222543048225 0.69213917114486 39.098 > 3 5 K 0.10996515615501 0.35598029691807 0.20595890352925 39.098 > 5 6 K 0.60996515615501 0.35598029691807 0.20595890352925 39.098 > 5 7 K 0.10996515615501 0.14401970308193 0.70595890352925 39.098 > 7 8 K 0.60996515615501 0.14401970308193 0.70595890352925 39.098 > 7 9 K 0.09970990083669 0.96777456951775 0.19213917114486 39.098 > 9 10 K 0.59970990083669 0.96777456951775 0.19213917114486 39.098 > 9 11 K 0.40029009916331 0.03222543048225 0.80786082885514 39.098 > 11 12 K 0.90029009916331 0.03222543048225 0.80786082885514 39.098 > 11 13 K 0.40029009916331 0.46777456951775 0.30786082885514 39.098 > 13 14 K 0.90029009916331 0.46777456951775 0.30786082885514 39.098 > 13 15 K 0.39003484384499 0.85598029691807 0.29404109647075 39.098 > 15 16 K 0.89003484384499 0.85598029691807 0.29404109647075 39.098 > 15 17 In 0.36919960070334 0.33327939767449 0.54036723734162 114.818 > 17 18 In 0.86919960070334 0.33327939767449 0.54036723734162 114.818 > 17 19 In 0.36919960070334 0.16672060232551 0.04036723734162 114.818 > 19 20 In 0.86919960070334 0.16672060232551 0.04036723734162 114.818 > 19 21 In 0.13080039929666 0.83327939767449 0.95963276265838 114.818 > 21 22 In 0.63080039929666 0.83327939767449 0.95963276265838 114.818 > 21 23 In 0.13080039929666 0.66672060232551 0.45963276265838 114.818 > 23 24 In 0.63080039929666 0.66672060232551 0.45963276265838 114.818 > 23 25 Si 0.15633497510761 0.54237238991410 0.99574525261286 28.085 > 25 26 Si 0.65633497510761 0.54237238991410 0.99574525261286 28.085 > 25 27 Si 0.34366502489238 0.45762761008590 0.00425474738714 28.085 > 27 28 Si 0.84366502489238 0.45762761008590 0.00425474738714 28.085 > 27 29 Si 0.19343931640385 0.67352171623086 0.21229538274286 28.085 > 29 30 Si 0.69343931640385 0.67352171623086 0.21229538274286 28.085 > 29 31 Si 0.34366502489238 0.04237238991410 0.50425474738714 28.085 > 31 32 Si 0.84366502489238 0.04237238991410 0.50425474738714 28.085 > 31 33 Si 0.35265007190144 0.63103775243472 0.49748377074428 28.085 > 33 34 Si 0.85265007190144 0.63103775243472 0.49748377074428 28.085 > 33 35 Si 0.48841011671845 0.66383657350468 0.16528838763539 28.085 > 35 36 Si 0.98841011671845 0.66383657350468 0.16528838763539 28.085 > 35 37 Si 0.01158988328155 0.33616342649532 0.83471161236461 28.085 > 37 38 Si 0.51158988328155 0.33616342649532 0.83471161236461 28.085 > 37 39 Si 0.01158988328155 0.16383657350468 0.33471161236461 28.085 > 39 40 Si 0.51158988328155 0.16383657350468 0.33471161236461 28.085 > 39 41 Si 0.35265007190144 0.86896224756528 0.99748377074428 28.085 > 41 42 Si 0.85265007190144 0.86896224756528 0.99748377074428 28.085 > 41 43 Si 0.19343931640385 0.82647828376914 0.71229538274286 28.085 > 43 44 Si 0.69343931640385 0.82647828376914 0.71229538274286 28.085 > 43 45 Si 0.30656068359615 0.17352171623086 0.28770461725714 28.085 > 45 46 Si 0.80656068359615 0.17352171623086 0.28770461725714 28.085 > 45 47 Si 0.14734992809856 0.36896224756528 0.50251622925572 28.085 > 47 48 Si 0.64734992809856 0.36896224756528 0.50251622925572 28.085 > 47 49 Si 0.30656068359615 0.32647828376914 0.78770461725714 28.085 > 49 50 Si 0.80656068359615 0.32647828376914 0.78770461725714 28.085 > 49 51 Si 0.14734992809856 0.13103775243472 0.00251622925572 28.085 > 51 52 Si 0.64734992809856 0.13103775243472 0.00251622925572 28.085 > 51 53 Si 0.15633497510761 0.95762761008590 0.49574525261286 28.085 > 53 54 Si 0.65633497510761 0.95762761008590 0.49574525261286 28.085 > 53 55 Si 0.48841011671845 0.83616342649532 0.66528838763539 28.085 > 55 56 Si 0.98841011671845 0.83616342649532 0.66528838763539 28.085 > 55 57 O 0.42327114525843 0.93470372866521 0.55469393715077 15.999 > 57 58 O 0.92327114525843 0.93470372866521 0.55469393715077 15.999 > 57 59 O 0.21995243338000 0.14967780979548 0.96541052024814 15.999 > 59 60 O 0.71995243338000 0.14967780979548 0.96541052024814 15.999 > 59 61 O 0.39189903997704 0.14066865353739 0.27051778812987 15.999 > 61 62 O 0.89189903997704 0.14066865353739 0.27051778812987 15.999 > 61 63 O 0.20146069274412 0.56051102480905 0.14396184196904 15.999 > 63 64 O 0.70146069274412 0.56051102480905 0.14396184196904 15.999 > 63 65 O 0.01766245437536 0.15282181302263 0.22100029925413 15.999 > 65 66 O 0.51766245437536 0.15282181302263 0.22100029925413 15.999 > 65 67 O 0.04426098073087 0.28863890629385 0.40632781975281 15.999 > 67 68 O 0.54426098073087 0.28863890629385 0.40632781975281 15.999 > 67 69 O 0.28004756662000 0.64967780979548 0.53458947975186 15.999 > 69 70 O 0.78004756662000 0.64967780979548 0.53458947975186 15.999 > 69 71 O 0.10672144379305 0.00239738877184 0.99190811115527 15.999 > 71 72 O 0.60672144379305 0.00239738877184 0.99190811115527 15.999 > 71 73 O 0.29853930725588 0.06051102480905 0.35603815803096 15.999 > 73 74 O 0.79853930725588 0.06051102480905 0.35603815803096 15.999 > 73 75 O 0.20146069274412 0.93948897519095 0.64396184196904 15.999 > 75 76 O 0.70146069274412 0.93948897519095 0.64396184196904 15.999 > 75 77 O 0.28004756662000 0.85032219020452 0.03458947975186 15.999 > 77 78 O 0.78004756662000 0.85032219020452 0.03458947975186 15.999 > 77 79 O 0.10810096002296 0.64066865353739 0.22948221187013 15.999 > 79 80 O 0.60810096002296 0.64066865353739 0.22948221187013 15.999 > 79 81 O 0.32860129926297 0.20814071076905 0.86127779283350 15.999 > 81 82 O 0.82860129926297 0.20814071076905 0.86127779283350 15.999 > 81 83 O 0.29853930725588 0.43948897519095 0.85603815803096 15.999 > 83 84 O 0.79853930725588 0.43948897519095 0.85603815803096 15.999 > 83 85 O 0.10109866004962 0.84588698840726 0.40904087395387 15.999 > 85 86 O 0.60109866004962 0.84588698840726 0.40904087395387 15.999 > 85 87 O 0.01766245437536 0.34717818697737 0.72100029925413 15.999 > 87 88 O 0.51766245437536 0.34717818697737 0.72100029925413 15.999 > 87 89 O 0.10672144379305 0.49760261122816 0.49190811115527 15.999 > 89 90 O 0.60672144379305 0.49760261122816 0.49190811115527 15.999 > 89 91 O 0.39327855620695 0.50239738877184 0.50809188884473 15.999 > 91 92 O 0.89327855620695 0.50239738877184 0.50809188884473 15.999 > 91 93 O 0.17139870073703 0.79185928923095 0.13872220716650 15.999 > 93 94 O 0.67139870073703 0.79185928923095 0.13872220716650 15.999 > 93 95 O 0.39890133995038 0.15411301159274 0.59095912604613 15.999 > 95 96 O 0.89890133995038 0.15411301159274 0.59095912604613 15.999 > 95 97 O 0.45573901926913 0.78863890629385 0.09367218024719 15.999 > 97 98 O 0.95573901926913 0.78863890629385 0.09367218024719 15.999 > 97 99 O 0.10810096002296 0.85933134646261 0.72948221187013 15.999 > 99 100 O 0.60810096002296 0.85933134646261 0.72948221187013 15.999 > 99 101 O 0.19754885468864 0.18203652250437 0.14598089846321 15.999 > 101 102 O 0.69754885468864 0.18203652250437 0.14598089846321 15.999 > 101 103 O 0.07672885474157 0.43470372866521 0.94530606284923 15.999 > 103 104 O 0.57672885474157 0.43470372866521 0.94530606284923 15.999 > 103 105 O 0.10109866004962 0.65411301159274 0.90904087395387 15.999 > 105 106 O 0.60109866004962 0.65411301159274 0.90904087395387 15.999 > 105 107 O 0.17139870073703 0.70814071076905 0.63872220716650 15.999 > 107 108 O 0.67139870073703 0.70814071076905 0.63872220716650 15.999 > 107 109 O 0.32860129926297 0.29185928923095 0.36127779283350 15.999 > 109 110 O 0.82860129926297 0.29185928923095 0.36127779283350 15.999 > 109 111 O 0.39327855620695 0.99760261122816 0.00809188884473 15.999 > 111 112 O 0.89327855620695 0.99760261122816 0.00809188884473 15.999 > 111 113 O 0.48233754562464 0.84717818697737 0.77899970074587 15.999 > 113 114 O 0.98233754562464 0.84717818697737 0.77899970074587 15.999 > 113 115 O 0.45573901926913 0.71136109370615 0.59367218024719 15.999 > 115 116 O 0.95573901926913 0.71136109370615 0.59367218024719 15.999 > 115 117 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 117 118 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 117 119 O 0.07672885474157 0.06529627133479 0.44530606284923 15.999 > 119 120 O 0.57672885474157 0.06529627133479 0.44530606284923 15.999 > 119 121 O 0.30245114531136 0.68203652250437 0.35401910153679 15.999 > 121 122 O 0.80245114531136 0.68203652250437 0.35401910153679 15.999 > 121 123 O 0.19754885468864 0.31796347749563 0.64598089846321 15.999 > 123 124 O 0.69754885468864 0.31796347749563 0.64598089846321 15.999 > 123 125 O 0.04426098073087 0.21136109370615 0.90632781975281 15.999 > 125 126 O 0.54426098073087 0.21136109370615 0.90632781975281 15.999 > 125 127 O 0.48233754562464 0.65282181302263 0.27899970074587 15.999 > 127 128 O 0.98233754562464 0.65282181302263 0.27899970074587 15.999 > 127 129 O 0.30245114531136 0.81796347749563 0.85401910153679 15.999 > 129 130 O 0.80245114531136 0.81796347749563 0.85401910153679 15.999 > 129 131 O 0.39189903997704 0.35933134646261 0.77051778812987 15.999 > 131 132 O 0.89189903997704 0.35933134646261 0.77051778812987 15.999 > 131 133 O 0.39890133995038 0.34588698840726 0.09095912604613 15.999 > 133 134 O 0.89890133995038 0.34588698840726 0.09095912604613 15.999 > 133 135 O 0.21995243338000 0.35032219020452 0.46541052024814 15.999 > 135 136 O 0.71995243338000 0.35032219020452 0.46541052024814 15.999 > 135 137 O 0.42327114525843 0.56529627133479 0.05469393715077 15.999 > 137 138 O 0.92327114525843 0.56529627133479 0.05469393715077 15.999 > 137 139 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 139 140 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5509636 0.0000000 0.0183039 0.0000000 2.6194545 0.0000000 0.0183027 0.0000000 2.6296281 -------------------------- Born effective charges -------------------------- 1 K 1.2707943 0.0224147 0.0244547 0.0030966 1.1594314 -0.0346697 0.0376626 -0.0319553 1.2260947 2 K 1.3092628 0.0368756 -0.0024904 0.0275504 1.1835311 -0.0508127 -0.0044086 -0.0586027 1.1336511 3 K 1.2707943 0.0224147 0.0244547 0.0030966 1.1594314 -0.0346697 0.0376626 -0.0319553 1.2260947 4 K 1.2707943 -0.0224147 0.0244547 -0.0030966 1.1594314 0.0346697 0.0376626 0.0319553 1.2260947 5 K 1.3092628 -0.0368756 -0.0024904 -0.0275504 1.1835311 0.0508127 -0.0044086 0.0586027 1.1336511 6 K 1.3092628 -0.0368756 -0.0024904 -0.0275504 1.1835311 0.0508127 -0.0044086 0.0586027 1.1336511 7 K 1.3092628 0.0368756 -0.0024904 0.0275504 1.1835311 -0.0508127 -0.0044086 -0.0586027 1.1336511 8 K 1.2707943 -0.0224147 0.0244547 -0.0030966 1.1594314 0.0346697 0.0376626 0.0319553 1.2260947 9 In 2.6459457 -0.0895254 -0.0468073 -0.0073621 3.3300299 0.0293210 0.0022821 0.0328014 3.1595644 10 In 2.6459457 0.0895254 -0.0468073 0.0073621 3.3300299 -0.0293210 0.0022821 -0.0328014 3.1595644 11 In 2.6459457 0.0895254 -0.0468073 0.0073621 3.3300299 -0.0293210 0.0022821 -0.0328014 3.1595644 12 In 2.6459457 -0.0895254 -0.0468073 -0.0073621 3.3300299 0.0293210 0.0022821 0.0328014 3.1595644 13 Si 3.2170582 -0.0801810 -0.1680510 -0.1944850 3.4415168 0.1133516 0.1632862 0.3481658 2.9061537 14 Si 3.2170582 -0.0801810 -0.1680510 -0.1944850 3.4415168 0.1133516 0.1632862 0.3481658 2.9061537 15 Si 3.1380977 0.1332615 -0.3860228 -0.1337023 2.7165025 -0.1994193 -0.1010072 -0.1035604 3.3761541 16 Si 3.2170582 0.0801810 -0.1680510 0.1944850 3.4415168 -0.1133516 0.1632862 -0.3481658 2.9061537 17 Si 3.0026878 0.0498765 -0.0306768 -0.1438914 3.2542751 0.2669487 0.2901258 -0.1051425 3.1316674 18 Si 2.8365607 -0.1663606 0.6654225 0.1132933 3.1892384 0.2173573 -0.2978335 -0.1734225 3.3452910 19 Si 2.8365607 -0.1663606 0.6654225 0.1132933 3.1892384 0.2173573 -0.2978335 -0.1734225 3.3452910 20 Si 2.8365607 0.1663606 0.6654225 -0.1132933 3.1892384 -0.2173573 -0.2978335 0.1734225 3.3452910 21 Si 3.0026878 -0.0498765 -0.0306768 0.1438914 3.2542751 -0.2669487 0.2901258 0.1051425 3.1316674 22 Si 3.1380977 -0.1332615 -0.3860228 0.1337023 2.7165025 0.1994193 -0.1010072 0.1035604 3.3761541 23 Si 3.1380977 -0.1332615 -0.3860228 0.1337023 2.7165025 0.1994193 -0.1010072 0.1035604 3.3761541 24 Si 3.0026878 0.0498765 -0.0306768 -0.1438914 3.2542751 0.2669487 0.2901258 -0.1051425 3.1316674 25 Si 3.1380977 0.1332615 -0.3860228 -0.1337023 2.7165025 -0.1994193 -0.1010072 -0.1035604 3.3761541 26 Si 3.0026878 -0.0498765 -0.0306768 0.1438914 3.2542751 -0.2669487 0.2901258 0.1051425 3.1316674 27 Si 3.2170582 0.0801810 -0.1680510 0.1944850 3.4415168 -0.1133516 0.1632862 -0.3481658 2.9061537 28 Si 2.8365607 0.1663606 0.6654225 -0.1132933 3.1892384 -0.2173573 -0.2978335 0.1734225 3.3452910 29 O -1.3127574 0.5456906 -0.3724047 0.5117839 -2.3407841 0.8274654 -0.2469006 0.7728987 -1.6841807 30 O -2.4906499 -0.2007727 0.0065956 -0.2167923 -1.2006615 0.0352144 -0.0467177 -0.0013551 -1.3024328 31 O -2.8356653 0.0844489 -0.1491228 0.0621646 -1.0602716 -0.0532943 -0.0476383 -0.0966769 -1.3718571 32 O -1.3608829 0.3953560 0.5611863 0.3754872 -1.6447181 -0.3968656 0.4335327 -0.4331923 -2.1148862 33 O -1.4066250 0.0457854 -0.0561581 0.0788620 -1.2898252 0.0281053 0.2236722 -0.0497987 -2.1994662 34 O -1.4110247 -0.4715764 -0.4944951 -0.3056251 -2.2481731 -0.7965898 -0.3702218 -0.8387065 -1.7076113 35 O -2.4906499 0.2007727 0.0065956 0.2167923 -1.2006615 -0.0352144 -0.0467177 0.0013551 -1.3024328 36 O -1.3692472 -0.0640512 0.0310329 -0.2345389 -2.5432486 -0.1161329 -0.0488052 -0.2825102 -1.2611141 37 O -1.3608829 -0.3953560 0.5611863 -0.3754872 -1.6447181 0.3968656 0.4335327 0.4331923 -2.1148862 38 O -1.3608829 -0.3953560 0.5611863 -0.3754872 -1.6447181 0.3968656 0.4335327 0.4331923 -2.1148862 39 O -2.4906499 -0.2007727 0.0065956 -0.2167923 -1.2006615 0.0352144 -0.0467177 -0.0013551 -1.3024328 40 O -2.8356653 -0.0844489 -0.1491228 -0.0621646 -1.0602716 0.0532943 -0.0476383 0.0966769 -1.3718571 41 O -1.3531525 -0.2591480 0.4623740 -0.1061327 -1.7737512 0.4191211 0.3072779 0.5100699 -1.8156271 42 O -1.3608829 0.3953560 0.5611863 0.3754872 -1.6447181 -0.3968656 0.4335327 -0.4331923 -2.1148862 43 O -1.1532792 -0.0406546 -0.0182370 -0.1015290 -2.3058439 -0.3097276 -0.0556935 -0.1668101 -1.4347878 44 O -1.4066250 -0.0457854 -0.0561581 -0.0788620 -1.2898252 -0.0281053 0.2236722 0.0497987 -2.1994662 45 O -1.3692472 0.0640512 0.0310329 0.2345389 -2.5432486 0.1161329 -0.0488052 0.2825102 -1.2611141 46 O -1.3692472 0.0640512 0.0310329 0.2345389 -2.5432486 0.1161329 -0.0488052 0.2825102 -1.2611141 47 O -1.3531525 -0.2591480 0.4623740 -0.1061327 -1.7737512 0.4191211 0.3072779 0.5100699 -1.8156271 48 O -1.1532792 -0.0406546 -0.0182370 -0.1015290 -2.3058439 -0.3097276 -0.0556935 -0.1668101 -1.4347878 49 O -1.4110247 0.4715764 -0.4944951 0.3056251 -2.2481731 0.7965898 -0.3702218 0.8387065 -1.7076113 50 O -2.8356653 0.0844489 -0.1491228 0.0621646 -1.0602716 -0.0532943 -0.0476383 -0.0966769 -1.3718571 51 O -1.2209127 0.1163637 0.0214160 0.0303068 -1.1853725 -0.3424696 -0.1415272 -0.4033136 -2.8512796 52 O -1.3127574 -0.5456906 -0.3724047 -0.5117839 -2.3407841 -0.8274654 -0.2469006 -0.7728987 -1.6841807 53 O -1.1532792 0.0406546 -0.0182370 0.1015290 -2.3058439 0.3097276 -0.0556935 0.1668101 -1.4347878 54 O -1.3531525 0.2591480 0.4623740 0.1061327 -1.7737512 -0.4191211 0.3072779 -0.5100699 -1.8156271 55 O -1.3531525 0.2591480 0.4623740 0.1061327 -1.7737512 -0.4191211 0.3072779 -0.5100699 -1.8156271 56 O -1.3692472 -0.0640512 0.0310329 -0.2345389 -2.5432486 -0.1161329 -0.0488052 -0.2825102 -1.2611141 57 O -1.4066250 0.0457854 -0.0561581 0.0788620 -1.2898252 0.0281053 0.2236722 -0.0497987 -2.1994662 58 O -1.4110247 -0.4715764 -0.4944951 -0.3056251 -2.2481731 -0.7965898 -0.3702218 -0.8387065 -1.7076113 59 O -3.0124207 0.6767004 -0.0960321 0.7900727 -1.3637503 0.0383874 -0.1941719 -0.0057693 -1.0706663 60 O -1.3127574 0.5456906 -0.3724047 0.5117839 -2.3407841 0.8274654 -0.2469006 0.7728987 -1.6841807 61 O -1.2209127 -0.1163637 0.0214160 -0.0303068 -1.1853725 0.3424696 -0.1415272 0.4033136 -2.8512796 62 O -1.2209127 -0.1163637 0.0214160 -0.0303068 -1.1853725 0.3424696 -0.1415272 0.4033136 -2.8512796 63 O -1.4110247 0.4715764 -0.4944951 0.3056251 -2.2481731 0.7965898 -0.3702218 0.8387065 -1.7076113 64 O -1.4066250 -0.0457854 -0.0561581 -0.0788620 -1.2898252 -0.0281053 0.2236722 0.0497987 -2.1994662 65 O -1.2209127 0.1163637 0.0214160 0.0303068 -1.1853725 -0.3424696 -0.1415272 -0.4033136 -2.8512796 66 O -2.8356653 -0.0844489 -0.1491228 -0.0621646 -1.0602716 0.0532943 -0.0476383 0.0966769 -1.3718571 67 O -1.1532792 0.0406546 -0.0182370 0.1015290 -2.3058439 0.3097276 -0.0556935 0.1668101 -1.4347878 68 O -2.4906499 0.2007727 0.0065956 0.2167923 -1.2006615 -0.0352144 -0.0467177 0.0013551 -1.3024328 69 O -1.3127574 -0.5456906 -0.3724047 -0.5117839 -2.3407841 -0.8274654 -0.2469006 -0.7728987 -1.6841807 70 O -3.0124207 -0.6767004 -0.0960321 -0.7900727 -1.3637503 -0.0383874 -0.1941719 0.0057693 -1.0706663 ---------------------------------------------------------------------------- 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 3, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 29, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 35, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 59, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 61, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 63, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 67, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 71, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 85, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 101, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Computing fc3[ 117, 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] [-0.0062 0.0000 0.0078] [ 0.0062 0.0000 -0.0078] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) 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 11:02:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:02:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.464972200043093 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577753479999998 0.000000000000000 c -8.430056903098720 0.000000000000000 10.560669968646168 Atomic positions (fractional): 1 K 0.78006968768999 0.64401970308193 0.79404109647075 39.098 2 K 0.19941980167337 0.53222543048225 0.69213917114486 39.098 3 K 0.21993031231001 0.35598029691807 0.20595890352925 39.098 4 K 0.21993031231001 0.14401970308193 0.70595890352925 39.098 5 K 0.19941980167337 0.96777456951775 0.19213917114486 39.098 6 K 0.80058019832663 0.03222543048225 0.80786082885514 39.098 7 K 0.80058019832663 0.46777456951775 0.30786082885514 39.098 8 K 0.78006968768999 0.85598029691807 0.29404109647075 39.098 9 In 0.73839920140668 0.33327939767449 0.54036723734162 114.818 10 In 0.73839920140668 0.16672060232551 0.04036723734162 114.818 11 In 0.26160079859332 0.83327939767449 0.95963276265838 114.818 12 In 0.26160079859332 0.66672060232551 0.45963276265838 114.818 13 Si 0.31266995021523 0.54237238991410 0.99574525261286 28.085 14 Si 0.68733004978477 0.45762761008590 0.00425474738714 28.085 15 Si 0.38687863280769 0.67352171623086 0.21229538274286 28.085 16 Si 0.68733004978477 0.04237238991410 0.50425474738714 28.085 17 Si 0.70530014380289 0.63103775243472 0.49748377074428 28.085 18 Si 0.97682023343690 0.66383657350468 0.16528838763539 28.085 19 Si 0.02317976656310 0.33616342649532 0.83471161236461 28.085 20 Si 0.02317976656310 0.16383657350468 0.33471161236461 28.085 21 Si 0.70530014380289 0.86896224756528 0.99748377074428 28.085 22 Si 0.38687863280769 0.82647828376914 0.71229538274286 28.085 23 Si 0.61312136719231 0.17352171623086 0.28770461725714 28.085 24 Si 0.29469985619711 0.36896224756528 0.50251622925572 28.085 25 Si 0.61312136719231 0.32647828376914 0.78770461725714 28.085 26 Si 0.29469985619711 0.13103775243472 0.00251622925572 28.085 27 Si 0.31266995021523 0.95762761008590 0.49574525261286 28.085 28 Si 0.97682023343690 0.83616342649532 0.66528838763539 28.085 29 O 0.84654229051686 0.93470372866521 0.55469393715077 15.999 30 O 0.43990486675999 0.14967780979548 0.96541052024814 15.999 31 O 0.78379807995408 0.14066865353739 0.27051778812987 15.999 32 O 0.40292138548824 0.56051102480905 0.14396184196904 15.999 33 O 0.03532490875072 0.15282181302263 0.22100029925413 15.999 34 O 0.08852196146173 0.28863890629385 0.40632781975281 15.999 35 O 0.56009513324001 0.64967780979548 0.53458947975186 15.999 36 O 0.21344288758610 0.00239738877184 0.99190811115527 15.999 37 O 0.59707861451176 0.06051102480905 0.35603815803096 15.999 38 O 0.40292138548824 0.93948897519095 0.64396184196904 15.999 39 O 0.56009513324001 0.85032219020452 0.03458947975186 15.999 40 O 0.21620192004593 0.64066865353739 0.22948221187013 15.999 41 O 0.65720259852594 0.20814071076905 0.86127779283350 15.999 42 O 0.59707861451176 0.43948897519095 0.85603815803096 15.999 43 O 0.20219732009925 0.84588698840726 0.40904087395387 15.999 44 O 0.03532490875072 0.34717818697737 0.72100029925413 15.999 45 O 0.21344288758610 0.49760261122816 0.49190811115527 15.999 46 O 0.78655711241390 0.50239738877184 0.50809188884473 15.999 47 O 0.34279740147406 0.79185928923095 0.13872220716650 15.999 48 O 0.79780267990075 0.15411301159274 0.59095912604613 15.999 49 O 0.91147803853827 0.78863890629385 0.09367218024719 15.999 50 O 0.21620192004593 0.85933134646261 0.72948221187013 15.999 51 O 0.39509770937728 0.18203652250437 0.14598089846321 15.999 52 O 0.15345770948314 0.43470372866521 0.94530606284923 15.999 53 O 0.20219732009925 0.65411301159274 0.90904087395387 15.999 54 O 0.34279740147406 0.70814071076905 0.63872220716650 15.999 55 O 0.65720259852594 0.29185928923095 0.36127779283350 15.999 56 O 0.78655711241390 0.99760261122816 0.00809188884473 15.999 57 O 0.96467509124928 0.84717818697737 0.77899970074587 15.999 58 O 0.91147803853827 0.71136109370615 0.59367218024719 15.999 59 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 60 O 0.15345770948314 0.06529627133479 0.44530606284923 15.999 61 O 0.60490229062272 0.68203652250437 0.35401910153679 15.999 62 O 0.39509770937728 0.31796347749563 0.64598089846321 15.999 63 O 0.08852196146173 0.21136109370615 0.90632781975281 15.999 64 O 0.96467509124928 0.65282181302263 0.27899970074587 15.999 65 O 0.60490229062272 0.81796347749563 0.85401910153679 15.999 66 O 0.78379807995408 0.35933134646261 0.77051778812987 15.999 67 O 0.79780267990075 0.34588698840726 0.09095912604613 15.999 68 O 0.43990486675999 0.35032219020452 0.46541052024814 15.999 69 O 0.84654229051686 0.56529627133479 0.05469393715077 15.999 70 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.929944400086185 0.000000000000000 0.000000000000000 b 0.000000000000000 11.577753479999998 0.000000000000000 c -8.430056903098720 0.000000000000000 10.560669968646168 Atomic positions (fractional): 1 K 0.39003484384499 0.64401970308193 0.79404109647075 39.098 > 1 2 K 0.89003484384499 0.64401970308193 0.79404109647075 39.098 > 1 3 K 0.09970990083669 0.53222543048225 0.69213917114486 39.098 > 3 4 K 0.59970990083669 0.53222543048225 0.69213917114486 39.098 > 3 5 K 0.10996515615501 0.35598029691807 0.20595890352925 39.098 > 5 6 K 0.60996515615501 0.35598029691807 0.20595890352925 39.098 > 5 7 K 0.10996515615501 0.14401970308193 0.70595890352925 39.098 > 7 8 K 0.60996515615501 0.14401970308193 0.70595890352925 39.098 > 7 9 K 0.09970990083669 0.96777456951775 0.19213917114486 39.098 > 9 10 K 0.59970990083669 0.96777456951775 0.19213917114486 39.098 > 9 11 K 0.40029009916331 0.03222543048225 0.80786082885514 39.098 > 11 12 K 0.90029009916331 0.03222543048225 0.80786082885514 39.098 > 11 13 K 0.40029009916331 0.46777456951775 0.30786082885514 39.098 > 13 14 K 0.90029009916331 0.46777456951775 0.30786082885514 39.098 > 13 15 K 0.39003484384499 0.85598029691807 0.29404109647075 39.098 > 15 16 K 0.89003484384499 0.85598029691807 0.29404109647075 39.098 > 15 17 In 0.36919960070334 0.33327939767449 0.54036723734162 114.818 > 17 18 In 0.86919960070334 0.33327939767449 0.54036723734162 114.818 > 17 19 In 0.36919960070334 0.16672060232551 0.04036723734162 114.818 > 19 20 In 0.86919960070334 0.16672060232551 0.04036723734162 114.818 > 19 21 In 0.13080039929666 0.83327939767449 0.95963276265838 114.818 > 21 22 In 0.63080039929666 0.83327939767449 0.95963276265838 114.818 > 21 23 In 0.13080039929666 0.66672060232551 0.45963276265838 114.818 > 23 24 In 0.63080039929666 0.66672060232551 0.45963276265838 114.818 > 23 25 Si 0.15633497510761 0.54237238991410 0.99574525261286 28.085 > 25 26 Si 0.65633497510761 0.54237238991410 0.99574525261286 28.085 > 25 27 Si 0.34366502489238 0.45762761008590 0.00425474738714 28.085 > 27 28 Si 0.84366502489238 0.45762761008590 0.00425474738714 28.085 > 27 29 Si 0.19343931640385 0.67352171623086 0.21229538274286 28.085 > 29 30 Si 0.69343931640385 0.67352171623086 0.21229538274286 28.085 > 29 31 Si 0.34366502489238 0.04237238991410 0.50425474738714 28.085 > 31 32 Si 0.84366502489238 0.04237238991410 0.50425474738714 28.085 > 31 33 Si 0.35265007190144 0.63103775243472 0.49748377074428 28.085 > 33 34 Si 0.85265007190144 0.63103775243472 0.49748377074428 28.085 > 33 35 Si 0.48841011671845 0.66383657350468 0.16528838763539 28.085 > 35 36 Si 0.98841011671845 0.66383657350468 0.16528838763539 28.085 > 35 37 Si 0.01158988328155 0.33616342649532 0.83471161236461 28.085 > 37 38 Si 0.51158988328155 0.33616342649532 0.83471161236461 28.085 > 37 39 Si 0.01158988328155 0.16383657350468 0.33471161236461 28.085 > 39 40 Si 0.51158988328155 0.16383657350468 0.33471161236461 28.085 > 39 41 Si 0.35265007190144 0.86896224756528 0.99748377074428 28.085 > 41 42 Si 0.85265007190144 0.86896224756528 0.99748377074428 28.085 > 41 43 Si 0.19343931640385 0.82647828376914 0.71229538274286 28.085 > 43 44 Si 0.69343931640385 0.82647828376914 0.71229538274286 28.085 > 43 45 Si 0.30656068359615 0.17352171623086 0.28770461725714 28.085 > 45 46 Si 0.80656068359615 0.17352171623086 0.28770461725714 28.085 > 45 47 Si 0.14734992809856 0.36896224756528 0.50251622925572 28.085 > 47 48 Si 0.64734992809856 0.36896224756528 0.50251622925572 28.085 > 47 49 Si 0.30656068359615 0.32647828376914 0.78770461725714 28.085 > 49 50 Si 0.80656068359615 0.32647828376914 0.78770461725714 28.085 > 49 51 Si 0.14734992809856 0.13103775243472 0.00251622925572 28.085 > 51 52 Si 0.64734992809856 0.13103775243472 0.00251622925572 28.085 > 51 53 Si 0.15633497510761 0.95762761008590 0.49574525261286 28.085 > 53 54 Si 0.65633497510761 0.95762761008590 0.49574525261286 28.085 > 53 55 Si 0.48841011671845 0.83616342649532 0.66528838763539 28.085 > 55 56 Si 0.98841011671845 0.83616342649532 0.66528838763539 28.085 > 55 57 O 0.42327114525843 0.93470372866521 0.55469393715077 15.999 > 57 58 O 0.92327114525843 0.93470372866521 0.55469393715077 15.999 > 57 59 O 0.21995243338000 0.14967780979548 0.96541052024814 15.999 > 59 60 O 0.71995243338000 0.14967780979548 0.96541052024814 15.999 > 59 61 O 0.39189903997704 0.14066865353739 0.27051778812987 15.999 > 61 62 O 0.89189903997704 0.14066865353739 0.27051778812987 15.999 > 61 63 O 0.20146069274412 0.56051102480905 0.14396184196904 15.999 > 63 64 O 0.70146069274412 0.56051102480905 0.14396184196904 15.999 > 63 65 O 0.01766245437536 0.15282181302263 0.22100029925413 15.999 > 65 66 O 0.51766245437536 0.15282181302263 0.22100029925413 15.999 > 65 67 O 0.04426098073087 0.28863890629385 0.40632781975281 15.999 > 67 68 O 0.54426098073087 0.28863890629385 0.40632781975281 15.999 > 67 69 O 0.28004756662000 0.64967780979548 0.53458947975186 15.999 > 69 70 O 0.78004756662000 0.64967780979548 0.53458947975186 15.999 > 69 71 O 0.10672144379305 0.00239738877184 0.99190811115527 15.999 > 71 72 O 0.60672144379305 0.00239738877184 0.99190811115527 15.999 > 71 73 O 0.29853930725588 0.06051102480905 0.35603815803096 15.999 > 73 74 O 0.79853930725588 0.06051102480905 0.35603815803096 15.999 > 73 75 O 0.20146069274412 0.93948897519095 0.64396184196904 15.999 > 75 76 O 0.70146069274412 0.93948897519095 0.64396184196904 15.999 > 75 77 O 0.28004756662000 0.85032219020452 0.03458947975186 15.999 > 77 78 O 0.78004756662000 0.85032219020452 0.03458947975186 15.999 > 77 79 O 0.10810096002296 0.64066865353739 0.22948221187013 15.999 > 79 80 O 0.60810096002296 0.64066865353739 0.22948221187013 15.999 > 79 81 O 0.32860129926297 0.20814071076905 0.86127779283350 15.999 > 81 82 O 0.82860129926297 0.20814071076905 0.86127779283350 15.999 > 81 83 O 0.29853930725588 0.43948897519095 0.85603815803096 15.999 > 83 84 O 0.79853930725588 0.43948897519095 0.85603815803096 15.999 > 83 85 O 0.10109866004962 0.84588698840726 0.40904087395387 15.999 > 85 86 O 0.60109866004962 0.84588698840726 0.40904087395387 15.999 > 85 87 O 0.01766245437536 0.34717818697737 0.72100029925413 15.999 > 87 88 O 0.51766245437536 0.34717818697737 0.72100029925413 15.999 > 87 89 O 0.10672144379305 0.49760261122816 0.49190811115527 15.999 > 89 90 O 0.60672144379305 0.49760261122816 0.49190811115527 15.999 > 89 91 O 0.39327855620695 0.50239738877184 0.50809188884473 15.999 > 91 92 O 0.89327855620695 0.50239738877184 0.50809188884473 15.999 > 91 93 O 0.17139870073703 0.79185928923095 0.13872220716650 15.999 > 93 94 O 0.67139870073703 0.79185928923095 0.13872220716650 15.999 > 93 95 O 0.39890133995038 0.15411301159274 0.59095912604613 15.999 > 95 96 O 0.89890133995038 0.15411301159274 0.59095912604613 15.999 > 95 97 O 0.45573901926913 0.78863890629385 0.09367218024719 15.999 > 97 98 O 0.95573901926913 0.78863890629385 0.09367218024719 15.999 > 97 99 O 0.10810096002296 0.85933134646261 0.72948221187013 15.999 > 99 100 O 0.60810096002296 0.85933134646261 0.72948221187013 15.999 > 99 101 O 0.19754885468864 0.18203652250437 0.14598089846321 15.999 > 101 102 O 0.69754885468864 0.18203652250437 0.14598089846321 15.999 > 101 103 O 0.07672885474157 0.43470372866521 0.94530606284923 15.999 > 103 104 O 0.57672885474157 0.43470372866521 0.94530606284923 15.999 > 103 105 O 0.10109866004962 0.65411301159274 0.90904087395387 15.999 > 105 106 O 0.60109866004962 0.65411301159274 0.90904087395387 15.999 > 105 107 O 0.17139870073703 0.70814071076905 0.63872220716650 15.999 > 107 108 O 0.67139870073703 0.70814071076905 0.63872220716650 15.999 > 107 109 O 0.32860129926297 0.29185928923095 0.36127779283350 15.999 > 109 110 O 0.82860129926297 0.29185928923095 0.36127779283350 15.999 > 109 111 O 0.39327855620695 0.99760261122816 0.00809188884473 15.999 > 111 112 O 0.89327855620695 0.99760261122816 0.00809188884473 15.999 > 111 113 O 0.48233754562464 0.84717818697737 0.77899970074587 15.999 > 113 114 O 0.98233754562464 0.84717818697737 0.77899970074587 15.999 > 113 115 O 0.45573901926913 0.71136109370615 0.59367218024719 15.999 > 115 116 O 0.95573901926913 0.71136109370615 0.59367218024719 15.999 > 115 117 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 117 118 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 117 119 O 0.07672885474157 0.06529627133479 0.44530606284923 15.999 > 119 120 O 0.57672885474157 0.06529627133479 0.44530606284923 15.999 > 119 121 O 0.30245114531136 0.68203652250437 0.35401910153679 15.999 > 121 122 O 0.80245114531136 0.68203652250437 0.35401910153679 15.999 > 121 123 O 0.19754885468864 0.31796347749563 0.64598089846321 15.999 > 123 124 O 0.69754885468864 0.31796347749563 0.64598089846321 15.999 > 123 125 O 0.04426098073087 0.21136109370615 0.90632781975281 15.999 > 125 126 O 0.54426098073087 0.21136109370615 0.90632781975281 15.999 > 125 127 O 0.48233754562464 0.65282181302263 0.27899970074587 15.999 > 127 128 O 0.98233754562464 0.65282181302263 0.27899970074587 15.999 > 127 129 O 0.30245114531136 0.81796347749563 0.85401910153679 15.999 > 129 130 O 0.80245114531136 0.81796347749563 0.85401910153679 15.999 > 129 131 O 0.39189903997704 0.35933134646261 0.77051778812987 15.999 > 131 132 O 0.89189903997704 0.35933134646261 0.77051778812987 15.999 > 131 133 O 0.39890133995038 0.34588698840726 0.09095912604613 15.999 > 133 134 O 0.89890133995038 0.34588698840726 0.09095912604613 15.999 > 133 135 O 0.21995243338000 0.35032219020452 0.46541052024814 15.999 > 135 136 O 0.71995243338000 0.35032219020452 0.46541052024814 15.999 > 135 137 O 0.42327114525843 0.56529627133479 0.05469393715077 15.999 > 137 138 O 0.92327114525843 0.56529627133479 0.05469393715077 15.999 > 137 139 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 139 140 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5509636 0.0000000 0.0183039 0.0000000 2.6194545 0.0000000 0.0183027 0.0000000 2.6296281 -------------------------- Born effective charges -------------------------- 1 K 1.2707943 0.0224147 0.0244547 0.0030966 1.1594314 -0.0346697 0.0376626 -0.0319553 1.2260947 2 K 1.3092628 0.0368756 -0.0024904 0.0275504 1.1835311 -0.0508127 -0.0044086 -0.0586027 1.1336511 3 K 1.2707943 0.0224147 0.0244547 0.0030966 1.1594314 -0.0346697 0.0376626 -0.0319553 1.2260947 4 K 1.2707943 -0.0224147 0.0244547 -0.0030966 1.1594314 0.0346697 0.0376626 0.0319553 1.2260947 5 K 1.3092628 -0.0368756 -0.0024904 -0.0275504 1.1835311 0.0508127 -0.0044086 0.0586027 1.1336511 6 K 1.3092628 -0.0368756 -0.0024904 -0.0275504 1.1835311 0.0508127 -0.0044086 0.0586027 1.1336511 7 K 1.3092628 0.0368756 -0.0024904 0.0275504 1.1835311 -0.0508127 -0.0044086 -0.0586027 1.1336511 8 K 1.2707943 -0.0224147 0.0244547 -0.0030966 1.1594314 0.0346697 0.0376626 0.0319553 1.2260947 9 In 2.6459457 -0.0895254 -0.0468073 -0.0073621 3.3300299 0.0293210 0.0022821 0.0328014 3.1595644 10 In 2.6459457 0.0895254 -0.0468073 0.0073621 3.3300299 -0.0293210 0.0022821 -0.0328014 3.1595644 11 In 2.6459457 0.0895254 -0.0468073 0.0073621 3.3300299 -0.0293210 0.0022821 -0.0328014 3.1595644 12 In 2.6459457 -0.0895254 -0.0468073 -0.0073621 3.3300299 0.0293210 0.0022821 0.0328014 3.1595644 13 Si 3.2170582 -0.0801810 -0.1680510 -0.1944850 3.4415168 0.1133516 0.1632862 0.3481658 2.9061537 14 Si 3.2170582 -0.0801810 -0.1680510 -0.1944850 3.4415168 0.1133516 0.1632862 0.3481658 2.9061537 15 Si 3.1380977 0.1332615 -0.3860228 -0.1337023 2.7165025 -0.1994193 -0.1010072 -0.1035604 3.3761541 16 Si 3.2170582 0.0801810 -0.1680510 0.1944850 3.4415168 -0.1133516 0.1632862 -0.3481658 2.9061537 17 Si 3.0026878 0.0498765 -0.0306768 -0.1438914 3.2542751 0.2669487 0.2901258 -0.1051425 3.1316674 18 Si 2.8365607 -0.1663606 0.6654225 0.1132933 3.1892384 0.2173573 -0.2978335 -0.1734225 3.3452910 19 Si 2.8365607 -0.1663606 0.6654225 0.1132933 3.1892384 0.2173573 -0.2978335 -0.1734225 3.3452910 20 Si 2.8365607 0.1663606 0.6654225 -0.1132933 3.1892384 -0.2173573 -0.2978335 0.1734225 3.3452910 21 Si 3.0026878 -0.0498765 -0.0306768 0.1438914 3.2542751 -0.2669487 0.2901258 0.1051425 3.1316674 22 Si 3.1380977 -0.1332615 -0.3860228 0.1337023 2.7165025 0.1994193 -0.1010072 0.1035604 3.3761541 23 Si 3.1380977 -0.1332615 -0.3860228 0.1337023 2.7165025 0.1994193 -0.1010072 0.1035604 3.3761541 24 Si 3.0026878 0.0498765 -0.0306768 -0.1438914 3.2542751 0.2669487 0.2901258 -0.1051425 3.1316674 25 Si 3.1380977 0.1332615 -0.3860228 -0.1337023 2.7165025 -0.1994193 -0.1010072 -0.1035604 3.3761541 26 Si 3.0026878 -0.0498765 -0.0306768 0.1438914 3.2542751 -0.2669487 0.2901258 0.1051425 3.1316674 27 Si 3.2170582 0.0801810 -0.1680510 0.1944850 3.4415168 -0.1133516 0.1632862 -0.3481658 2.9061537 28 Si 2.8365607 0.1663606 0.6654225 -0.1132933 3.1892384 -0.2173573 -0.2978335 0.1734225 3.3452910 29 O -1.3127574 0.5456906 -0.3724047 0.5117839 -2.3407841 0.8274654 -0.2469006 0.7728987 -1.6841807 30 O -2.4906499 -0.2007727 0.0065956 -0.2167923 -1.2006615 0.0352144 -0.0467177 -0.0013551 -1.3024328 31 O -2.8356653 0.0844489 -0.1491228 0.0621646 -1.0602716 -0.0532943 -0.0476383 -0.0966769 -1.3718571 32 O -1.3608829 0.3953560 0.5611863 0.3754872 -1.6447181 -0.3968656 0.4335327 -0.4331923 -2.1148862 33 O -1.4066250 0.0457854 -0.0561581 0.0788620 -1.2898252 0.0281053 0.2236722 -0.0497987 -2.1994662 34 O -1.4110247 -0.4715764 -0.4944951 -0.3056251 -2.2481731 -0.7965898 -0.3702218 -0.8387065 -1.7076113 35 O -2.4906499 0.2007727 0.0065956 0.2167923 -1.2006615 -0.0352144 -0.0467177 0.0013551 -1.3024328 36 O -1.3692472 -0.0640512 0.0310329 -0.2345389 -2.5432486 -0.1161329 -0.0488052 -0.2825102 -1.2611141 37 O -1.3608829 -0.3953560 0.5611863 -0.3754872 -1.6447181 0.3968656 0.4335327 0.4331923 -2.1148862 38 O -1.3608829 -0.3953560 0.5611863 -0.3754872 -1.6447181 0.3968656 0.4335327 0.4331923 -2.1148862 39 O -2.4906499 -0.2007727 0.0065956 -0.2167923 -1.2006615 0.0352144 -0.0467177 -0.0013551 -1.3024328 40 O -2.8356653 -0.0844489 -0.1491228 -0.0621646 -1.0602716 0.0532943 -0.0476383 0.0966769 -1.3718571 41 O -1.3531525 -0.2591480 0.4623740 -0.1061327 -1.7737512 0.4191211 0.3072779 0.5100699 -1.8156271 42 O -1.3608829 0.3953560 0.5611863 0.3754872 -1.6447181 -0.3968656 0.4335327 -0.4331923 -2.1148862 43 O -1.1532792 -0.0406546 -0.0182370 -0.1015290 -2.3058439 -0.3097276 -0.0556935 -0.1668101 -1.4347878 44 O -1.4066250 -0.0457854 -0.0561581 -0.0788620 -1.2898252 -0.0281053 0.2236722 0.0497987 -2.1994662 45 O -1.3692472 0.0640512 0.0310329 0.2345389 -2.5432486 0.1161329 -0.0488052 0.2825102 -1.2611141 46 O -1.3692472 0.0640512 0.0310329 0.2345389 -2.5432486 0.1161329 -0.0488052 0.2825102 -1.2611141 47 O -1.3531525 -0.2591480 0.4623740 -0.1061327 -1.7737512 0.4191211 0.3072779 0.5100699 -1.8156271 48 O -1.1532792 -0.0406546 -0.0182370 -0.1015290 -2.3058439 -0.3097276 -0.0556935 -0.1668101 -1.4347878 49 O -1.4110247 0.4715764 -0.4944951 0.3056251 -2.2481731 0.7965898 -0.3702218 0.8387065 -1.7076113 50 O -2.8356653 0.0844489 -0.1491228 0.0621646 -1.0602716 -0.0532943 -0.0476383 -0.0966769 -1.3718571 51 O -1.2209127 0.1163637 0.0214160 0.0303068 -1.1853725 -0.3424696 -0.1415272 -0.4033136 -2.8512796 52 O -1.3127574 -0.5456906 -0.3724047 -0.5117839 -2.3407841 -0.8274654 -0.2469006 -0.7728987 -1.6841807 53 O -1.1532792 0.0406546 -0.0182370 0.1015290 -2.3058439 0.3097276 -0.0556935 0.1668101 -1.4347878 54 O -1.3531525 0.2591480 0.4623740 0.1061327 -1.7737512 -0.4191211 0.3072779 -0.5100699 -1.8156271 55 O -1.3531525 0.2591480 0.4623740 0.1061327 -1.7737512 -0.4191211 0.3072779 -0.5100699 -1.8156271 56 O -1.3692472 -0.0640512 0.0310329 -0.2345389 -2.5432486 -0.1161329 -0.0488052 -0.2825102 -1.2611141 57 O -1.4066250 0.0457854 -0.0561581 0.0788620 -1.2898252 0.0281053 0.2236722 -0.0497987 -2.1994662 58 O -1.4110247 -0.4715764 -0.4944951 -0.3056251 -2.2481731 -0.7965898 -0.3702218 -0.8387065 -1.7076113 59 O -3.0124207 0.6767004 -0.0960321 0.7900727 -1.3637503 0.0383874 -0.1941719 -0.0057693 -1.0706663 60 O -1.3127574 0.5456906 -0.3724047 0.5117839 -2.3407841 0.8274654 -0.2469006 0.7728987 -1.6841807 61 O -1.2209127 -0.1163637 0.0214160 -0.0303068 -1.1853725 0.3424696 -0.1415272 0.4033136 -2.8512796 62 O -1.2209127 -0.1163637 0.0214160 -0.0303068 -1.1853725 0.3424696 -0.1415272 0.4033136 -2.8512796 63 O -1.4110247 0.4715764 -0.4944951 0.3056251 -2.2481731 0.7965898 -0.3702218 0.8387065 -1.7076113 64 O -1.4066250 -0.0457854 -0.0561581 -0.0788620 -1.2898252 -0.0281053 0.2236722 0.0497987 -2.1994662 65 O -1.2209127 0.1163637 0.0214160 0.0303068 -1.1853725 -0.3424696 -0.1415272 -0.4033136 -2.8512796 66 O -2.8356653 -0.0844489 -0.1491228 -0.0621646 -1.0602716 0.0532943 -0.0476383 0.0966769 -1.3718571 67 O -1.1532792 0.0406546 -0.0182370 0.1015290 -2.3058439 0.3097276 -0.0556935 0.1668101 -1.4347878 68 O -2.4906499 0.2007727 0.0065956 0.2167923 -1.2006615 -0.0352144 -0.0467177 0.0013551 -1.3024328 69 O -1.3127574 -0.5456906 -0.3724047 -0.5117839 -2.3407841 -0.8274654 -0.2469006 -0.7728987 -1.6841807 70 O -3.0124207 -0.6767004 -0.0960321 -0.7900727 -1.3637503 -0.0383874 -0.1941719 0.0057693 -1.0706663 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.41, Number of G-points: 315, Lambda: 0.07 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: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 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 0.763 ( 0.000 0.000 0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 1.374 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.714 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.475 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 5.656 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.601 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 0.000) 0.000 7.098 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.603 ( 0.000 0.000 0.000) 0.000 7.680 ( 0.000 0.000 0.000) 0.000 7.871 ( 0.000 0.000 0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 0.000 0.000) 0.000 8.289 ( 0.000 0.000 0.000) 0.000 8.379 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 8.733 ( 0.000 0.000 0.000) 0.000 8.850 ( 0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 9.213 ( 0.000 0.000 0.000) 0.000 9.375 ( 0.000 0.000 0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 9.736 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 9.982 ( 0.000 0.000 0.000) 0.000 10.047 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.124 ( 0.000 0.000 0.000) 0.000 10.242 ( 0.000 0.000 0.000) 0.000 10.448 ( 0.000 0.000 0.000) 0.000 10.512 ( 0.000 0.000 0.000) 0.000 10.525 ( 0.000 0.000 0.000) 0.000 10.651 ( 0.000 0.000 0.000) 0.000 10.795 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.208 ( 0.000 0.000 0.000) 0.000 11.272 ( 0.000 0.000 0.000) 0.000 11.476 ( 0.000 0.000 0.000) 0.000 11.545 ( 0.000 0.000 0.000) 0.000 11.659 ( 0.000 0.000 0.000) 0.000 11.674 ( 0.000 0.000 0.000) 0.000 11.769 ( 0.000 0.000 0.000) 0.000 11.932 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 12.132 ( 0.000 0.000 0.000) 0.000 12.227 ( 0.000 0.000 0.000) 0.000 12.445 ( 0.000 0.000 0.000) 0.000 12.910 ( 0.000 0.000 0.000) 0.000 13.016 ( 0.000 0.000 0.000) 0.000 13.087 ( 0.000 0.000 0.000) 0.000 13.206 ( 0.000 0.000 0.000) 0.000 13.231 ( 0.000 0.000 0.000) 0.000 13.240 ( 0.000 0.000 0.000) 0.000 13.345 ( 0.000 0.000 0.000) 0.000 13.482 ( 0.000 0.000 0.000) 0.000 13.506 ( 0.000 0.000 0.000) 0.000 13.986 ( 0.000 0.000 0.000) 0.000 14.025 ( 0.000 0.000 0.000) 0.000 14.410 ( 0.000 0.000 0.000) 0.000 14.441 ( 0.000 0.000 0.000) 0.000 14.445 ( 0.000 0.000 0.000) 0.000 14.527 ( 0.000 0.000 0.000) 0.000 14.556 ( 0.000 0.000 0.000) 0.000 14.599 ( 0.000 0.000 0.000) 0.000 14.778 ( 0.000 0.000 0.000) 0.000 14.869 ( 0.000 0.000 0.000) 0.000 14.890 ( 0.000 0.000 0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.434 ( 0.000 0.000 0.000) 0.000 15.451 ( 0.000 0.000 0.000) 0.000 15.741 ( 0.000 0.000 0.000) 0.000 16.966 ( 0.000 0.000 0.000) 0.000 17.156 ( 0.000 0.000 0.000) 0.000 17.209 ( 0.000 0.000 0.000) 0.000 17.517 ( 0.000 0.000 0.000) 0.000 18.177 ( 0.000 0.000 0.000) 0.000 18.672 ( 0.000 0.000 0.000) 0.000 19.143 ( 0.000 0.000 0.000) 0.000 19.217 ( 0.000 0.000 0.000) 0.000 19.485 ( 0.000 0.000 0.000) 0.000 19.917 ( 0.000 0.000 0.000) 0.000 20.164 ( 0.000 0.000 0.000) 0.000 21.082 ( 0.000 0.000 0.000) 0.000 21.223 ( 0.000 0.000 0.000) 0.000 21.416 ( 0.000 0.000 0.000) 0.000 21.511 ( 0.000 0.000 0.000) 0.000 22.027 ( 0.000 0.000 0.000) 0.000 22.069 ( 0.000 0.000 0.000) 0.000 22.087 ( 0.000 0.000 0.000) 0.000 22.309 ( 0.000 0.000 0.000) 0.000 22.354 ( 0.000 0.000 0.000) 0.000 22.408 ( 0.000 0.000 0.000) 0.000 22.591 ( 0.000 0.000 0.000) 0.000 27.406 ( 0.000 0.000 0.000) 0.000 27.945 ( 0.000 0.000 0.000) 0.000 28.019 ( 0.000 0.000 0.000) 0.000 28.472 ( 0.000 0.000 0.000) 0.000 28.486 ( 0.000 0.000 0.000) 0.000 28.554 ( 0.000 0.000 0.000) 0.000 28.684 ( 0.000 0.000 0.000) 0.000 28.773 ( 0.000 0.000 0.000) 0.000 28.773 ( 0.000 0.000 0.000) 0.000 28.878 ( 0.000 0.000 0.000) 0.000 28.931 ( 0.000 0.000 0.000) 0.000 29.133 ( 0.000 0.000 0.000) 0.000 29.421 ( 0.000 0.000 0.000) 0.000 29.469 ( 0.000 0.000 0.000) 0.000 29.715 ( 0.000 0.000 0.000) 0.000 29.721 ( 0.000 0.000 0.000) 0.000 29.778 ( 0.000 0.000 0.000) 0.000 29.878 ( 0.000 0.000 0.000) 0.000 29.994 ( 0.000 0.000 0.000) 0.000 30.100 ( 0.000 0.000 0.000) 0.000 30.129 ( 0.000 0.000 0.000) 0.000 30.166 ( 0.000 0.000 0.000) 0.000 30.261 ( 0.000 0.000 0.000) 0.000 30.365 ( 0.000 0.000 0.000) 0.000 31.025 ( 0.000 0.000 0.000) 0.000 31.123 ( 0.000 0.000 0.000) 0.000 31.125 ( 0.000 0.000 0.000) 0.000 31.280 ( 0.000 0.000 0.000) 0.000 31.509 ( 0.000 0.000 0.000) 0.000 31.562 ( 0.000 0.000 0.000) 0.000 31.621 ( 0.000 0.000 0.000) 0.000 31.643 ( 0.000 0.000 0.000) 0.000 31.644 ( 0.000 0.000 0.000) 0.000 31.881 ( 0.000 0.000 0.000) 0.000 31.911 ( 0.000 0.000 0.000) 0.000 32.458 ( 0.000 0.000 0.000) 0.000 32.495 ( 0.000 0.000 0.000) 0.000 32.635 ( 0.000 0.000 0.000) 0.000 32.735 ( 0.000 0.000 0.000) 0.000 33.374 ( 0.000 0.000 0.000) 0.000 34.224 ( 0.000 0.000 0.000) 0.000 34.339 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 19.107 0.000 15.031) 24.310 0.599 ( 33.479 0.000 8.571) 34.558 0.962 ( 17.581 0.000 9.507) 19.987 0.984 ( 17.982 0.000 31.246) 36.050 1.226 ( 2.401 0.000 10.262) 10.540 1.241 ( -3.025 0.000 -2.251) 3.771 1.546 ( -8.441 0.000 1.836) 8.638 1.654 ( 6.665 0.000 -5.959) 8.940 1.747 ( -17.883 0.000 8.243) 19.692 2.015 ( 1.956 0.000 7.696) 7.940 2.100 ( 2.609 0.000 15.482) 15.700 2.178 ( 9.835 0.000 -3.236) 10.353 2.356 ( 6.300 0.000 -5.306) 8.237 2.365 ( -1.402 0.000 -3.754) 4.007 2.400 ( 0.849 0.000 1.327) 1.576 2.472 ( -7.950 0.000 1.369) 8.067 2.497 ( 0.981 0.000 -0.735) 1.226 2.546 ( -3.573 0.000 -3.996) 5.360 2.658 ( 4.367 0.000 -2.791) 5.183 2.696 ( -0.854 0.000 -1.287) 1.545 2.703 ( 3.960 0.000 -6.904) 7.959 2.744 ( 5.164 0.000 6.843) 8.573 2.794 ( -1.431 0.000 -4.307) 4.539 2.893 ( 2.684 0.000 -0.748) 2.786 2.915 ( -2.275 0.000 -1.984) 3.019 3.026 ( -2.382 0.000 4.785) 5.345 3.132 ( 1.803 0.000 3.006) 3.505 3.138 ( -4.350 0.000 -0.935) 4.449 3.192 ( -4.220 0.000 1.720) 4.557 3.208 ( 1.819 0.000 3.524) 3.966 3.262 ( 6.018 0.000 -8.485) 10.402 3.410 ( -12.989 0.000 -3.370) 13.419 3.418 ( -2.176 0.000 1.774) 2.808 3.459 ( 1.081 0.000 -1.599) 1.930 3.588 ( -1.241 0.000 -3.535) 3.747 3.632 ( -4.190 0.000 -9.681) 10.549 3.644 ( -5.968 0.000 4.164) 7.277 3.657 ( 1.772 0.000 -1.412) 2.266 3.742 ( 2.580 0.000 7.365) 7.804 3.859 ( -3.765 0.000 -6.853) 7.819 3.947 ( 1.125 0.000 -6.449) 6.546 4.141 ( -3.147 0.000 2.529) 4.037 4.177 ( -4.801 0.000 -6.604) 8.165 4.237 ( 5.005 0.000 5.623) 7.528 4.256 ( 1.566 0.000 5.007) 5.246 4.325 ( -1.631 0.000 -2.058) 2.626 4.339 ( 1.678 0.000 2.228) 2.789 4.502 ( -2.205 0.000 -4.314) 4.845 4.514 ( -0.728 0.000 -3.263) 3.343 4.652 ( -3.130 0.000 -0.415) 3.157 4.715 ( -0.813 0.000 -1.903) 2.070 4.883 ( 0.885 0.000 1.796) 2.003 4.896 ( -0.546 0.000 -6.250) 6.274 5.024 ( 2.042 0.000 -0.549) 2.114 5.049 ( -3.483 0.000 2.086) 4.060 5.142 ( -0.131 0.000 5.431) 5.433 5.184 ( -2.181 0.000 2.328) 3.190 5.249 ( -0.660 0.000 -4.005) 4.059 5.364 ( -2.281 0.000 -5.678) 6.119 5.430 ( -3.126 0.000 0.484) 3.163 5.546 ( 1.064 0.000 5.303) 5.409 5.625 ( 2.977 0.000 2.982) 4.213 5.708 ( -2.018 0.000 7.777) 8.034 5.750 ( -2.805 0.000 -0.198) 2.812 5.960 ( -0.740 0.000 -10.550) 10.576 5.967 ( 2.586 0.000 -5.834) 6.382 6.051 ( 4.134 0.000 4.992) 6.481 6.068 ( 4.718 0.000 -9.406) 10.522 6.293 ( 7.885 0.000 7.292) 10.739 6.443 ( -2.901 0.000 -10.340) 10.740 6.586 ( -5.637 0.000 3.621) 6.700 6.588 ( -1.630 0.000 -2.558) 3.033 6.859 ( 6.484 0.000 -1.878) 6.750 6.864 ( 2.503 0.000 10.429) 10.725 7.046 ( -1.780 0.000 -15.620) 15.721 7.124 ( -4.040 0.000 0.792) 4.117 7.210 ( 4.246 0.000 11.513) 12.271 7.311 ( 1.272 0.000 1.753) 2.166 7.408 ( 3.803 0.000 2.324) 4.457 7.570 ( -3.037 0.000 -7.154) 7.772 7.612 ( 1.850 0.000 -2.150) 2.837 7.703 ( -8.110 0.000 1.382) 8.227 7.748 ( -1.120 0.000 4.083) 4.234 7.865 ( 2.141 0.000 6.275) 6.630 8.254 ( 2.345 0.000 5.209) 5.713 8.309 ( 1.695 0.000 -3.288) 3.700 8.326 ( -8.417 0.000 6.850) 10.852 8.436 ( 7.208 0.000 -6.824) 9.926 8.646 ( 9.751 0.000 0.438) 9.761 8.782 ( 3.636 0.000 -1.696) 4.012 8.878 ( -0.571 0.000 1.558) 1.659 8.976 ( 0.088 0.000 0.280) 0.293 9.064 ( -1.128 0.000 7.586) 7.669 9.068 ( -3.311 0.000 2.224) 3.989 9.317 ( 2.161 0.000 8.076) 8.360 9.344 ( 0.628 0.000 -6.415) 6.446 9.691 ( 8.652 0.000 -0.310) 8.658 9.744 ( -4.770 0.000 -4.770) 6.746 9.768 ( 0.908 0.000 3.566) 3.680 9.879 ( -5.792 0.000 -4.169) 7.137 10.018 ( -6.330 0.000 0.687) 6.367 10.048 ( -0.016 0.000 -1.575) 1.575 10.168 ( -3.531 0.000 -6.979) 7.822 10.190 ( 3.760 0.000 1.754) 4.149 10.477 ( -8.191 0.000 -2.653) 8.610 10.481 ( 0.183 0.000 -1.909) 1.918 10.542 ( 0.207 0.000 3.275) 3.282 10.629 ( -0.833 0.000 -8.661) 8.701 10.853 ( 4.035 0.000 6.491) 7.643 11.116 ( -12.098 0.000 0.124) 12.099 11.208 ( 8.675 0.000 -9.102) 12.574 11.331 ( 6.350 0.000 1.310) 6.483 11.452 ( 1.230 0.000 0.969) 1.566 11.461 ( -0.989 0.000 -9.161) 9.214 11.629 ( 1.354 0.000 -7.244) 7.369 11.705 ( 2.562 0.000 -0.841) 2.697 11.910 ( 4.957 0.000 5.025) 7.059 11.956 ( -12.928 0.000 1.816) 13.055 12.029 ( 6.153 0.000 7.512) 9.710 12.095 ( -3.448 0.000 2.359) 4.178 12.384 ( 8.086 0.000 4.100) 9.066 12.586 ( 11.008 0.000 4.879) 12.040 12.737 ( -17.847 0.000 4.200) 18.334 12.958 ( -3.605 0.000 -8.884) 9.588 12.994 ( -6.503 0.000 -4.040) 7.656 13.192 ( -6.607 0.000 -9.168) 11.301 13.216 ( -0.708 0.000 6.458) 6.496 13.317 ( 7.696 0.000 0.621) 7.721 13.368 ( 6.120 0.000 3.226) 6.918 13.566 ( 8.077 0.000 -0.197) 8.079 13.966 ( -0.996 0.000 -1.992) 2.227 14.011 ( -5.189 0.000 15.056) 15.925 14.228 ( 5.875 0.000 -7.861) 9.814 14.334 ( -4.827 0.000 -4.099) 6.333 14.407 ( -1.961 0.000 -3.049) 3.625 14.456 ( -3.059 0.000 -2.049) 3.682 14.526 ( -4.235 0.000 1.373) 4.452 14.700 ( 6.046 0.000 1.497) 6.229 14.784 ( -0.644 0.000 1.949) 2.053 14.892 ( 0.570 0.000 0.029) 0.571 14.971 ( 11.752 0.000 -1.136) 11.807 15.157 ( 7.111 0.000 -2.296) 7.472 15.312 ( -15.723 0.000 12.054) 19.811 15.435 ( 0.707 0.000 -0.588) 0.919 15.585 ( -7.582 0.000 24.129) 25.293 15.704 ( -2.651 0.000 -3.161) 4.126 16.907 ( -6.503 0.000 -0.402) 6.515 17.096 ( -11.226 0.000 -1.424) 11.316 17.497 ( 2.055 0.000 -6.006) 6.347 17.573 ( 12.555 0.000 -7.577) 14.664 18.234 ( 6.202 0.000 2.067) 6.538 18.708 ( -0.859 0.000 -3.343) 3.452 19.060 ( 1.429 0.000 1.190) 1.859 19.290 ( 4.312 0.000 -0.802) 4.386 19.676 ( 12.970 0.000 6.389) 14.458 19.832 ( -4.151 0.000 -8.114) 9.114 20.208 ( 4.289 0.000 1.743) 4.630 20.981 ( -2.823 0.000 -12.657) 12.968 21.268 ( 4.650 0.000 5.797) 7.431 21.474 ( -2.244 0.000 -3.551) 4.201 21.596 ( 0.549 0.000 16.653) 16.662 21.974 ( -5.262 0.000 -2.935) 6.025 22.068 ( -2.964 0.000 0.547) 3.014 22.069 ( -1.682 0.000 2.804) 3.270 22.248 ( -5.334 0.000 -2.426) 5.860 22.331 ( -2.822 0.000 0.092) 2.823 22.420 ( -0.334 0.000 1.391) 1.431 22.570 ( -2.414 0.000 -0.397) 2.446 27.461 ( 2.475 0.000 5.849) 6.351 27.874 ( -3.882 0.000 -3.509) 5.233 28.110 ( 8.060 0.000 -2.266) 8.373 28.432 ( -1.377 0.000 -2.634) 2.972 28.511 ( 0.028 0.000 0.980) 0.981 28.534 ( 1.297 0.000 -7.101) 7.218 28.687 ( -1.202 0.000 1.403) 1.848 28.767 ( 0.443 0.000 -1.475) 1.540 28.775 ( 0.203 0.000 -0.029) 0.205 28.823 ( -2.010 0.000 -0.771) 2.153 29.025 ( 6.105 0.000 2.677) 6.666 29.225 ( -5.498 0.000 0.940) 5.578 29.317 ( -1.930 0.000 -3.861) 4.316 29.564 ( -4.617 0.000 -6.543) 8.008 29.741 ( 0.626 0.000 14.673) 14.687 29.810 ( -1.291 0.000 1.810) 2.223 29.843 ( -2.335 0.000 -2.801) 3.647 29.963 ( -7.308 0.000 5.199) 8.969 30.057 ( 2.809 0.000 -0.439) 2.843 30.057 ( -4.515 0.000 6.052) 7.551 30.270 ( -0.896 0.000 2.402) 2.564 30.294 ( 0.237 0.000 0.232) 0.332 30.358 ( 10.859 0.000 2.529) 11.150 30.515 ( 7.773 0.000 -6.207) 9.947 31.078 ( 0.765 0.000 -0.669) 1.016 31.239 ( 2.800 0.000 6.676) 7.239 31.272 ( 2.006 0.000 -3.759) 4.261 31.345 ( -3.677 0.000 4.946) 6.163 31.467 ( -12.613 0.000 -2.300) 12.821 31.554 ( 1.175 0.000 -2.285) 2.569 31.676 ( -0.329 0.000 5.419) 5.429 31.677 ( 1.748 0.000 -1.906) 2.586 31.697 ( 5.990 0.000 -2.356) 6.437 31.952 ( 3.156 0.000 0.846) 3.267 32.407 ( 1.417 0.000 -8.560) 8.676 32.412 ( -0.555 0.000 -11.211) 11.224 32.642 ( -3.472 0.000 4.200) 5.449 32.746 ( 6.976 0.000 -1.173) 7.074 33.105 ( -22.819 0.000 25.780) 34.428 33.356 ( -1.833 0.000 -0.827) 2.010 34.285 ( 5.860 0.000 2.577) 6.401 34.602 ( 13.808 0.000 -21.758) 25.769 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -17.306 0.000 -2.237) 17.450 0.926 ( 13.641 0.000 4.329) 14.311 1.170 ( 29.475 0.000 6.140) 30.108 1.228 ( 8.324 0.000 4.240) 9.341 1.442 ( 9.920 0.000 11.413) 15.122 1.580 ( 4.014 0.000 13.094) 13.696 1.585 ( -7.573 0.000 5.288) 9.236 1.711 ( 9.324 0.000 -0.352) 9.331 1.812 ( 9.105 0.000 9.216) 12.955 2.117 ( -5.350 0.000 -4.322) 6.878 2.173 ( -1.090 0.000 -6.607) 6.696 2.185 ( 6.924 0.000 5.978) 9.148 2.314 ( 2.072 0.000 -6.044) 6.390 2.331 ( -4.893 0.000 -3.790) 6.189 2.463 ( 1.805 0.000 -1.057) 2.092 2.468 ( -5.834 0.000 12.478) 13.775 2.508 ( -6.725 0.000 0.652) 6.756 2.517 ( 2.486 0.000 2.923) 3.837 2.598 ( -2.229 0.000 -3.246) 3.938 2.611 ( -0.187 0.000 -5.898) 5.901 2.677 ( -3.581 0.000 3.903) 5.297 2.732 ( 2.566 0.000 0.504) 2.614 2.809 ( -6.080 0.000 -0.256) 6.085 2.860 ( -11.852 0.000 -1.763) 11.983 2.862 ( -4.060 0.000 -4.114) 5.780 3.031 ( 6.938 0.000 6.245) 9.335 3.057 ( 0.912 0.000 6.321) 6.387 3.089 ( -2.551 0.000 0.400) 2.583 3.113 ( -9.098 0.000 -3.286) 9.674 3.268 ( 4.233 0.000 -1.991) 4.678 3.288 ( 3.346 0.000 2.138) 3.971 3.301 ( 3.837 0.000 2.219) 4.432 3.367 ( -3.316 0.000 -0.209) 3.322 3.462 ( -4.137 0.000 -7.318) 8.407 3.562 ( 3.029 0.000 -3.111) 4.342 3.609 ( -2.294 0.000 1.642) 2.821 3.610 ( -2.043 0.000 3.362) 3.934 3.716 ( 14.349 0.000 -0.819) 14.373 3.769 ( -2.146 0.000 -1.038) 2.384 3.816 ( 2.777 0.000 -2.379) 3.656 3.944 ( -2.508 0.000 -3.172) 4.044 4.140 ( -3.292 0.000 3.977) 5.163 4.149 ( 8.899 0.000 5.838) 10.643 4.210 ( -2.592 0.000 -4.612) 5.290 4.237 ( 3.077 0.000 -12.925) 13.286 4.301 ( -8.173 0.000 -0.755) 8.208 4.419 ( 7.505 0.000 6.230) 9.754 4.426 ( -4.250 0.000 2.125) 4.751 4.506 ( 1.842 0.000 2.518) 3.120 4.724 ( 5.738 0.000 -0.798) 5.793 4.729 ( -6.067 0.000 -5.938) 8.489 4.766 ( -8.630 0.000 -4.348) 9.664 4.795 ( 2.220 0.000 1.847) 2.888 4.895 ( -11.930 0.000 -1.499) 12.024 4.954 ( -4.950 0.000 -0.449) 4.971 5.155 ( -1.322 0.000 -4.971) 5.144 5.160 ( -6.720 0.000 -1.117) 6.812 5.249 ( 3.306 0.000 0.065) 3.306 5.339 ( -1.793 0.000 2.357) 2.962 5.425 ( -0.683 0.000 7.772) 7.802 5.550 ( 3.035 0.000 -3.974) 5.001 5.584 ( -8.428 0.000 -6.010) 10.351 5.737 ( -1.349 0.000 0.422) 1.413 5.754 ( -0.549 0.000 3.252) 3.298 5.915 ( 10.643 0.000 0.568) 10.658 5.966 ( 3.950 0.000 -1.561) 4.247 5.996 ( -2.584 0.000 -7.480) 7.913 6.280 ( 13.053 0.000 -2.216) 13.240 6.318 ( -2.305 0.000 -6.855) 7.232 6.497 ( -7.444 0.000 -2.247) 7.776 6.547 ( 1.347 0.000 -2.447) 2.793 6.579 ( 10.337 0.000 17.620) 20.429 6.800 ( -1.921 0.000 -11.028) 11.194 6.886 ( -6.267 0.000 -0.217) 6.270 6.974 ( -6.258 0.000 -11.663) 13.235 7.011 ( 6.545 0.000 4.078) 7.712 7.328 ( -10.196 0.000 -5.802) 11.731 7.376 ( 3.663 0.000 4.515) 5.814 7.387 ( -1.716 0.000 8.752) 8.919 7.415 ( -3.811 0.000 -2.611) 4.620 7.600 ( 3.937 0.000 1.766) 4.315 7.780 ( 4.777 0.000 5.188) 7.053 7.895 ( 16.534 0.000 -1.069) 16.569 8.030 ( -1.329 0.000 12.292) 12.363 8.290 ( 2.495 0.000 0.930) 2.663 8.293 ( -4.742 0.000 9.028) 10.197 8.436 ( 10.435 0.000 2.266) 10.678 8.473 ( 6.007 0.000 -3.756) 7.084 8.710 ( -0.687 0.000 -1.847) 1.970 8.742 ( -1.987 0.000 -6.716) 7.004 8.878 ( -3.248 0.000 8.282) 8.897 8.988 ( 1.390 0.000 -1.236) 1.860 9.108 ( -1.949 0.000 5.630) 5.958 9.128 ( -2.744 0.000 5.080) 5.774 9.278 ( 0.305 0.000 -2.729) 2.746 9.469 ( 4.442 0.000 6.087) 7.535 9.653 ( 1.140 0.000 -2.070) 2.363 9.767 ( -2.112 0.000 -3.634) 4.203 9.802 ( -4.083 0.000 3.178) 5.174 9.843 ( 7.602 0.000 0.553) 7.622 9.931 ( -4.959 0.000 2.187) 5.420 10.010 ( -0.721 0.000 -3.706) 3.776 10.029 ( -0.855 0.000 -6.260) 6.318 10.222 ( -1.089 0.000 -0.503) 1.200 10.290 ( -9.815 0.000 -3.601) 10.455 10.376 ( -4.556 0.000 -7.365) 8.661 10.499 ( -2.381 0.000 -8.363) 8.695 10.564 ( -3.073 0.000 2.257) 3.813 10.946 ( -7.412 0.000 -1.527) 7.567 11.023 ( 6.245 0.000 2.387) 6.686 11.258 ( 7.845 0.000 -3.163) 8.459 11.327 ( 0.336 0.000 -3.983) 3.997 11.486 ( 4.269 0.000 4.708) 6.355 11.492 ( 0.524 0.000 -8.271) 8.287 11.550 ( -0.586 0.000 2.050) 2.132 11.717 ( 2.067 0.000 -1.419) 2.508 11.855 ( -4.343 0.000 3.370) 5.497 11.954 ( -3.289 0.000 0.707) 3.365 12.126 ( 3.649 0.000 3.169) 4.833 12.176 ( 4.364 0.000 0.240) 4.370 12.529 ( 1.464 0.000 4.692) 4.915 12.601 ( -11.271 0.000 3.774) 11.886 12.703 ( -6.867 0.000 -9.501) 11.723 12.705 ( -0.017 0.000 -0.521) 0.522 12.971 ( 5.498 0.000 6.693) 8.661 13.080 ( 0.248 0.000 -0.853) 0.888 13.315 ( 1.306 0.000 7.926) 8.033 13.428 ( 4.861 0.000 1.918) 5.226 13.475 ( 3.296 0.000 2.727) 4.277 13.677 ( 7.987 0.000 -2.876) 8.489 13.911 ( -1.033 0.000 -4.855) 4.963 14.077 ( -11.016 0.000 10.514) 15.228 14.189 ( 0.044 0.000 -5.109) 5.109 14.257 ( 3.563 0.000 -1.282) 3.786 14.347 ( -1.151 0.000 -2.717) 2.951 14.372 ( -3.187 0.000 -4.916) 5.859 14.481 ( -2.374 0.000 -0.037) 2.375 14.748 ( -3.141 0.000 2.498) 4.013 14.804 ( -0.275 0.000 2.628) 2.642 14.926 ( 5.243 0.000 -2.066) 5.636 15.038 ( -1.515 0.000 -4.503) 4.751 15.201 ( 0.769 0.000 -0.110) 0.777 15.362 ( 9.729 0.000 5.557) 11.204 15.436 ( -0.358 0.000 -0.983) 1.046 15.597 ( -2.666 0.000 -6.215) 6.763 15.759 ( -0.414 0.000 14.012) 14.018 16.798 ( -7.667 0.000 0.435) 7.679 16.934 ( -8.169 0.000 0.568) 8.189 17.457 ( 2.528 0.000 -5.063) 5.659 17.690 ( 7.195 0.000 2.599) 7.650 18.402 ( 8.967 0.000 6.431) 11.035 18.501 ( -12.084 0.000 -8.962) 15.044 19.289 ( 17.204 0.000 5.597) 18.091 19.322 ( 3.123 0.000 -5.652) 6.457 19.647 ( -5.079 0.000 -9.351) 10.641 19.925 ( 9.804 0.000 6.426) 11.722 20.319 ( 6.652 0.000 2.493) 7.103 20.808 ( 0.857 0.000 -11.997) 12.028 21.364 ( -4.956 0.000 -5.330) 7.278 21.444 ( 7.723 0.000 5.900) 9.719 21.776 ( -1.015 0.000 12.918) 12.958 21.791 ( -11.936 0.000 -6.194) 13.448 22.011 ( -4.815 0.000 -1.213) 4.966 22.103 ( 1.292 0.000 3.537) 3.766 22.130 ( -5.878 0.000 -0.828) 5.936 22.288 ( -3.418 0.000 1.072) 3.582 22.426 ( -1.210 0.000 1.514) 1.938 22.516 ( -3.644 0.000 -0.885) 3.749 27.606 ( 4.083 0.000 10.007) 10.808 27.778 ( -4.616 0.000 -1.537) 4.866 28.203 ( 4.202 0.000 2.309) 4.794 28.355 ( -2.865 0.000 -5.712) 6.390 28.465 ( 0.694 0.000 -6.390) 6.427 28.513 ( -0.190 0.000 0.637) 0.665 28.675 ( -2.034 0.000 0.542) 2.105 28.750 ( 0.572 0.000 -2.149) 2.223 28.772 ( -0.202 0.000 -0.782) 0.807 28.822 ( 0.766 0.000 0.808) 1.114 29.085 ( -2.345 0.000 -8.960) 9.262 29.154 ( 6.051 0.000 4.270) 7.406 29.360 ( 1.978 0.000 5.110) 5.480 29.447 ( -3.152 0.000 -3.010) 4.359 29.729 ( -5.773 0.000 -4.015) 7.032 29.752 ( -4.432 0.000 -3.102) 5.410 29.836 ( -4.090 0.000 5.835) 7.126 29.910 ( -5.344 0.000 0.033) 5.344 30.106 ( 4.996 0.000 1.842) 5.325 30.159 ( 9.235 0.000 -0.232) 9.238 30.222 ( -4.656 0.000 -0.271) 4.664 30.285 ( 0.253 0.000 0.648) 0.696 30.578 ( 6.892 0.000 -1.286) 7.011 30.663 ( 14.944 0.000 9.657) 17.793 31.137 ( 5.266 0.000 3.253) 6.190 31.172 ( -16.061 0.000 -2.612) 16.272 31.255 ( -0.560 0.000 -0.558) 0.791 31.342 ( -4.071 0.000 3.827) 5.587 31.397 ( 2.059 0.000 5.025) 5.431 31.554 ( 1.954 0.000 -1.461) 2.440 31.666 ( 0.764 0.000 -2.251) 2.377 31.737 ( 0.504 0.000 4.133) 4.163 31.780 ( 1.326 0.000 7.032) 7.156 31.976 ( -0.957 0.000 -1.311) 1.623 32.259 ( 0.077 0.000 -12.232) 12.232 32.323 ( 3.126 0.000 -11.065) 11.498 32.623 ( -4.177 0.000 2.534) 4.886 32.830 ( 4.193 0.000 0.614) 4.238 33.061 ( -11.224 0.000 9.847) 14.931 33.296 ( -3.428 0.000 -2.892) 4.485 34.442 ( 8.539 0.000 4.877) 9.834 34.542 ( 3.862 0.000 -9.909) 10.635 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -19.237 0.000 -0.530) 19.245 1.095 ( 5.074 0.000 1.294) 5.236 1.310 ( -3.457 0.000 -0.097) 3.459 1.412 ( -3.896 0.000 -7.368) 8.334 1.522 ( 3.825 0.000 5.484) 6.686 1.705 ( 4.456 0.000 -11.340) 12.184 1.753 ( 7.262 0.000 4.001) 8.291 1.828 ( 7.432 0.000 9.153) 11.790 1.886 ( -3.078 0.000 4.603) 5.537 1.949 ( -5.014 0.000 -8.613) 9.966 2.053 ( -2.597 0.000 -7.904) 8.320 2.212 ( 5.334 0.000 5.289) 7.512 2.257 ( -2.125 0.000 -0.400) 2.163 2.323 ( 9.066 0.000 -1.090) 9.132 2.417 ( -0.683 0.000 2.075) 2.184 2.471 ( 3.207 0.000 -0.964) 3.348 2.487 ( 4.404 0.000 -4.191) 6.079 2.543 ( -1.258 0.000 2.439) 2.744 2.622 ( -1.180 0.000 7.002) 7.101 2.662 ( -1.190 0.000 2.725) 2.973 2.708 ( -3.901 0.000 1.243) 4.094 2.708 ( -7.075 0.000 1.616) 7.257 2.769 ( -3.357 0.000 -1.108) 3.535 2.793 ( -0.250 0.000 -0.359) 0.438 2.835 ( 0.349 0.000 4.570) 4.584 3.058 ( 0.555 0.000 0.696) 0.890 3.065 ( -1.485 0.000 2.134) 2.600 3.127 ( 0.404 0.000 3.208) 3.234 3.171 ( 2.059 0.000 5.288) 5.675 3.277 ( -2.587 0.000 -0.450) 2.626 3.293 ( 0.746 0.000 2.183) 2.306 3.320 ( 0.045 0.000 -4.798) 4.798 3.411 ( 0.069 0.000 7.257) 7.257 3.431 ( 0.299 0.000 -2.282) 2.301 3.488 ( -9.944 0.000 -2.427) 10.236 3.495 ( -6.027 0.000 -4.221) 7.358 3.640 ( 4.644 0.000 8.018) 9.266 3.778 ( 7.295 0.000 -2.516) 7.717 3.783 ( 4.677 0.000 -11.919) 12.804 3.895 ( 0.442 0.000 3.097) 3.128 3.934 ( 7.441 0.000 -5.905) 9.499 4.099 ( -3.033 0.000 2.219) 3.758 4.168 ( -3.289 0.000 3.237) 4.615 4.182 ( 3.725 0.000 -4.969) 6.210 4.210 ( 1.754 0.000 -0.274) 1.775 4.398 ( 8.594 0.000 5.978) 10.469 4.447 ( -0.836 0.000 4.122) 4.206 4.524 ( -6.341 0.000 -3.732) 7.358 4.558 ( -8.402 0.000 1.764) 8.585 4.563 ( 0.358 0.000 1.078) 1.135 4.603 ( 5.463 0.000 7.427) 9.220 4.697 ( -3.134 0.000 -9.325) 9.837 4.729 ( -6.213 0.000 1.829) 6.477 4.911 ( 2.168 0.000 1.448) 2.607 4.995 ( 5.132 0.000 0.141) 5.134 5.000 ( -5.760 0.000 -2.942) 6.468 5.126 ( 2.780 0.000 0.077) 2.781 5.185 ( -1.913 0.000 -10.888) 11.055 5.322 ( -3.853 0.000 0.987) 3.978 5.325 ( -12.416 0.000 -2.304) 12.628 5.559 ( 2.325 0.000 -2.308) 3.276 5.573 ( 3.900 0.000 2.782) 4.791 5.751 ( 1.781 0.000 1.951) 2.642 5.766 ( -1.393 0.000 1.363) 1.949 5.828 ( -5.743 0.000 -7.550) 9.486 6.040 ( 7.444 0.000 -0.718) 7.478 6.133 ( 4.962 0.000 8.824) 10.123 6.249 ( 2.426 0.000 -0.495) 2.476 6.308 ( -5.348 0.000 -5.791) 7.882 6.371 ( 2.562 0.000 -7.463) 7.891 6.522 ( -3.752 0.000 -1.020) 3.888 6.585 ( -0.491 0.000 -6.597) 6.616 6.766 ( -4.831 0.000 -3.920) 6.221 6.789 ( -2.610 0.000 -6.537) 7.039 7.019 ( 6.077 0.000 13.339) 14.658 7.144 ( 2.388 0.000 10.876) 11.134 7.177 ( -2.033 0.000 -2.407) 3.151 7.349 ( -7.494 0.000 1.008) 7.561 7.376 ( -4.736 0.000 -5.456) 7.225 7.414 ( 3.644 0.000 4.380) 5.698 7.766 ( 10.270 0.000 1.808) 10.427 7.850 ( 3.805 0.000 2.711) 4.672 8.121 ( -3.999 0.000 5.283) 6.626 8.162 ( 16.598 0.000 -2.741) 16.823 8.303 ( 4.838 0.000 -3.638) 6.053 8.402 ( 2.117 0.000 9.879) 10.104 8.478 ( 1.137 0.000 -3.623) 3.797 8.608 ( -4.696 0.000 -4.362) 6.409 8.620 ( 5.505 0.000 6.727) 8.692 8.655 ( -5.991 0.000 3.378) 6.878 8.936 ( -2.575 0.000 -5.071) 5.688 8.979 ( -2.955 0.000 5.968) 6.660 9.123 ( 1.212 0.000 -4.028) 4.207 9.126 ( 0.537 0.000 8.346) 8.364 9.301 ( 0.773 0.000 2.865) 2.967 9.522 ( -0.977 0.000 1.413) 1.718 9.669 ( 1.000 0.000 -3.569) 3.707 9.695 ( -6.211 0.000 -1.790) 6.464 9.798 ( -7.013 0.000 -1.489) 7.169 9.813 ( 7.353 0.000 2.580) 7.793 9.968 ( 0.387 0.000 -1.926) 1.965 9.971 ( 2.193 0.000 2.908) 3.642 10.108 ( 9.051 0.000 2.768) 9.465 10.131 ( -4.026 0.000 -6.008) 7.232 10.150 ( -4.178 0.000 -3.176) 5.248 10.251 ( -1.767 0.000 -4.011) 4.384 10.375 ( -4.456 0.000 -4.112) 6.064 10.502 ( -6.141 0.000 -0.530) 6.164 10.898 ( -0.707 0.000 4.074) 4.134 10.969 ( -2.977 0.000 -8.298) 8.816 11.285 ( -3.512 0.000 -13.043) 13.508 11.381 ( 5.654 0.000 3.317) 6.555 11.438 ( 7.022 0.000 4.899) 8.562 11.543 ( -0.754 0.000 1.428) 1.614 11.615 ( 1.354 0.000 2.058) 2.464 11.784 ( 4.072 0.000 6.328) 7.525 11.861 ( -7.047 0.000 -1.986) 7.322 11.887 ( 0.764 0.000 4.932) 4.991 12.147 ( -0.653 0.000 -8.943) 8.967 12.242 ( 6.907 0.000 -0.204) 6.910 12.370 ( -8.942 0.000 -2.321) 9.238 12.406 ( -9.985 0.000 -6.979) 12.182 12.721 ( 2.767 0.000 3.065) 4.129 12.854 ( 7.830 0.000 12.234) 14.525 13.134 ( 2.975 0.000 3.685) 4.736 13.158 ( 5.488 0.000 6.906) 8.821 13.386 ( -2.967 0.000 2.759) 4.051 13.507 ( 1.793 0.000 3.300) 3.755 13.536 ( 1.687 0.000 2.467) 2.989 13.717 ( 4.508 0.000 -5.865) 7.398 13.825 ( -0.574 0.000 -6.729) 6.753 13.994 ( -11.084 0.000 8.328) 13.864 14.087 ( -0.079 0.000 -9.912) 9.912 14.232 ( -3.474 0.000 -7.308) 8.092 14.333 ( 0.302 0.000 -0.489) 0.574 14.393 ( 4.178 0.000 5.672) 7.044 14.475 ( 2.213 0.000 2.365) 3.239 14.697 ( -5.146 0.000 1.218) 5.288 14.835 ( -0.560 0.000 3.007) 3.058 14.892 ( -6.292 0.000 -7.506) 9.795 14.967 ( 3.750 0.000 -2.583) 4.554 15.213 ( 0.949 0.000 -0.437) 1.045 15.361 ( -3.601 0.000 -4.163) 5.504 15.555 ( 2.390 0.000 -1.652) 2.906 15.581 ( 9.740 0.000 3.580) 10.377 15.878 ( -0.279 0.000 6.585) 6.591 16.704 ( -5.215 0.000 0.400) 5.230 16.875 ( -3.097 0.000 2.406) 3.921 17.476 ( 4.750 0.000 -1.037) 4.862 17.836 ( 5.239 0.000 5.282) 7.440 18.219 ( -10.797 0.000 -7.974) 13.422 18.611 ( 6.345 0.000 7.640) 9.932 19.231 ( -1.535 0.000 -8.773) 8.907 19.499 ( -2.493 0.000 -6.589) 7.045 19.573 ( 12.367 0.000 2.195) 12.560 20.124 ( 6.927 0.000 6.885) 9.767 20.436 ( 5.095 0.000 1.467) 5.302 20.745 ( 4.461 0.000 -6.044) 7.512 21.233 ( -4.013 0.000 -4.139) 5.765 21.513 ( -12.933 0.000 -6.895) 14.656 21.587 ( 5.374 0.000 1.066) 5.478 21.806 ( -11.365 0.000 5.287) 12.535 21.959 ( 2.402 0.000 1.854) 3.034 22.088 ( -1.643 0.000 0.670) 1.775 22.168 ( 2.276 0.000 1.075) 2.517 22.275 ( -0.749 0.000 3.340) 3.423 22.423 ( -1.047 0.000 0.985) 1.438 22.445 ( -3.867 0.000 -1.696) 4.223 27.709 ( -2.992 0.000 -0.345) 3.012 27.800 ( 4.449 0.000 11.244) 12.092 28.216 ( -3.877 0.000 -8.709) 9.533 28.278 ( 1.373 0.000 2.771) 3.092 28.421 ( 1.834 0.000 -3.488) 3.941 28.526 ( 0.147 0.000 1.189) 1.198 28.640 ( -1.990 0.000 -1.268) 2.360 28.748 ( 1.792 0.000 -0.940) 2.023 28.750 ( -0.598 0.000 -1.529) 1.642 28.827 ( -0.390 0.000 -1.076) 1.145 28.981 ( -0.662 0.000 -4.581) 4.629 29.311 ( 5.656 0.000 7.511) 9.402 29.409 ( 0.126 0.000 0.524) 0.538 29.458 ( 3.043 0.000 4.660) 5.565 29.588 ( -6.023 0.000 -3.647) 7.041 29.651 ( -3.835 0.000 -3.435) 5.148 29.791 ( -5.092 0.000 -7.071) 8.713 29.816 ( -2.984 0.000 1.354) 3.277 30.166 ( -2.581 0.000 0.220) 2.591 30.195 ( 2.863 0.000 2.545) 3.830 30.284 ( 0.625 0.000 -2.181) 2.269 30.291 ( 7.989 0.000 -0.413) 8.000 30.677 ( 6.015 0.000 0.536) 6.039 30.915 ( -12.303 0.000 -2.105) 12.482 30.973 ( 9.474 0.000 10.450) 14.105 31.248 ( 0.578 0.000 -0.435) 0.724 31.298 ( 5.983 0.000 6.165) 8.591 31.312 ( -5.197 0.000 2.898) 5.951 31.448 ( 1.121 0.000 0.411) 1.194 31.571 ( 1.308 0.000 -0.207) 1.324 31.667 ( 0.388 0.000 0.741) 0.837 31.782 ( 0.271 0.000 2.272) 2.288 31.874 ( -4.532 0.000 -7.571) 8.824 31.892 ( 0.608 0.000 8.789) 8.810 32.165 ( 1.320 0.000 -5.589) 5.743 32.238 ( 2.593 0.000 -10.540) 10.855 32.593 ( -2.655 0.000 1.489) 3.044 32.880 ( 2.140 0.000 0.072) 2.141 33.014 ( -5.938 0.000 4.014) 7.168 33.197 ( -3.489 0.000 -3.982) 5.294 34.495 ( 1.242 0.000 -4.243) 4.421 34.616 ( 6.245 0.000 4.424) 7.653 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 0.000 0.000 0.000) 0.000 1.124 ( 0.000 0.000 -0.000) 0.000 1.231 ( 0.000 0.000 0.000) 0.000 1.266 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.317 ( -0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.509 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.544 ( -0.000 0.000 -0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 -0.000) 0.000 2.663 ( 0.000 0.000 -0.000) 0.000 2.666 ( -0.000 0.000 0.000) 0.000 2.771 ( -0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.103 ( -0.000 0.000 -0.000) 0.000 3.184 ( 0.000 0.000 -0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.259 ( -0.000 0.000 -0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 -0.000) 0.000 3.405 ( -0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 -0.000) 0.000 3.812 ( -0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 -0.000) 0.000 3.855 ( -0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 -0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.527 ( -0.000 0.000 -0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.723 ( -0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 -0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.223 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.561 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.666 ( -0.000 0.000 -0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 6.137 ( 0.000 0.000 0.000) 0.000 6.184 ( -0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 -0.000) 0.000 6.265 ( -0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 -0.000) 0.000 7.211 ( 0.000 0.000 0.000) 0.000 7.223 ( -0.000 0.000 -0.000) 0.000 7.270 ( 0.000 0.000 0.000) 0.000 7.404 ( -0.000 0.000 -0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 7.911 ( -0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.251 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.445 ( -0.000 0.000 0.000) 0.000 8.547 ( 0.000 0.000 0.000) 0.000 8.581 ( -0.000 0.000 -0.000) 0.000 8.582 ( 0.000 0.000 0.000) 0.000 8.750 ( 0.000 0.000 -0.000) 0.000 8.841 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.072 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.336 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.666 ( 0.000 0.000 0.000) 0.000 9.668 ( 0.000 0.000 0.000) 0.000 9.700 ( -0.000 0.000 0.000) 0.000 9.888 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 0.000) 0.000 10.068 ( 0.000 0.000 0.000) 0.000 10.106 ( 0.000 0.000 0.000) 0.000 10.215 ( 0.000 0.000 0.000) 0.000 10.259 ( -0.000 0.000 -0.000) 0.000 10.260 ( 0.000 0.000 0.000) 0.000 10.424 ( 0.000 0.000 0.000) 0.000 10.884 ( 0.000 0.000 0.000) 0.000 10.969 ( 0.000 0.000 0.000) 0.000 11.121 ( 0.000 0.000 0.000) 0.000 11.527 ( -0.000 0.000 0.000) 0.000 11.531 ( 0.000 0.000 0.000) 0.000 11.536 ( -0.000 0.000 -0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.778 ( 0.000 0.000 0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 12.006 ( 0.000 0.000 0.000) 0.000 12.063 ( 0.000 0.000 0.000) 0.000 12.167 ( 0.000 0.000 0.000) 0.000 12.307 ( 0.000 0.000 0.000) 0.000 12.328 ( 0.000 0.000 0.000) 0.000 12.763 ( 0.000 0.000 0.000) 0.000 13.055 ( 0.000 0.000 0.000) 0.000 13.190 ( 0.000 0.000 0.000) 0.000 13.271 ( -0.000 0.000 -0.000) 0.000 13.295 ( 0.000 0.000 0.000) 0.000 13.547 ( 0.000 0.000 0.000) 0.000 13.569 ( 0.000 0.000 0.000) 0.000 13.703 ( 0.000 0.000 0.000) 0.000 13.777 ( 0.000 0.000 0.000) 0.000 13.981 ( -0.000 0.000 0.000) 0.000 14.000 ( 0.000 0.000 -0.000) 0.000 14.150 ( 0.000 0.000 0.000) 0.000 14.336 ( 0.000 0.000 0.000) 0.000 14.429 ( 0.000 0.000 0.000) 0.000 14.592 ( 0.000 0.000 0.000) 0.000 14.661 ( 0.000 0.000 0.000) 0.000 14.746 ( 0.000 0.000 0.000) 0.000 14.849 ( -0.000 0.000 0.000) 0.000 14.979 ( 0.000 0.000 0.000) 0.000 15.217 ( 0.000 0.000 0.000) 0.000 15.305 ( 0.000 0.000 0.000) 0.000 15.570 ( 0.000 0.000 0.000) 0.000 15.682 ( 0.000 0.000 0.000) 0.000 15.911 ( 0.000 0.000 0.000) 0.000 16.666 ( 0.000 0.000 0.000) 0.000 16.871 ( 0.000 0.000 -0.000) 0.000 17.524 ( 0.000 0.000 0.000) 0.000 17.918 ( 0.000 0.000 0.000) 0.000 18.070 ( 0.000 0.000 0.000) 0.000 18.712 ( 0.000 0.000 0.000) 0.000 19.158 ( 0.000 0.000 0.000) 0.000 19.430 ( 0.000 0.000 0.000) 0.000 19.674 ( 0.000 0.000 0.000) 0.000 20.240 ( 0.000 0.000 0.000) 0.000 20.484 ( 0.000 0.000 0.000) 0.000 20.754 ( 0.000 0.000 0.000) 0.000 21.176 ( 0.000 0.000 0.000) 0.000 21.350 ( 0.000 0.000 0.000) 0.000 21.636 ( -0.000 0.000 -0.000) 0.000 21.720 ( 0.000 0.000 0.000) 0.000 22.038 ( 0.000 0.000 0.000) 0.000 22.053 ( -0.000 0.000 -0.000) 0.000 22.183 ( 0.000 0.000 0.000) 0.000 22.327 ( 0.000 0.000 0.000) 0.000 22.379 ( 0.000 0.000 0.000) 0.000 22.421 ( 0.000 0.000 0.000) 0.000 27.685 ( 0.000 0.000 0.000) 0.000 27.949 ( 0.000 0.000 -0.000) 0.000 28.086 ( 0.000 0.000 0.000) 0.000 28.301 ( 0.000 0.000 0.000) 0.000 28.426 ( 0.000 0.000 0.000) 0.000 28.535 ( 0.000 0.000 0.000) 0.000 28.608 ( 0.000 0.000 0.000) 0.000 28.734 ( 0.000 0.000 0.000) 0.000 28.771 ( 0.000 0.000 0.000) 0.000 28.801 ( -0.000 0.000 -0.000) 0.000 28.952 ( 0.000 0.000 0.000) 0.000 29.417 ( 0.000 0.000 0.000) 0.000 29.455 ( 0.000 0.000 0.000) 0.000 29.514 ( -0.000 0.000 -0.000) 0.000 29.544 ( 0.000 0.000 0.000) 0.000 29.567 ( 0.000 0.000 0.000) 0.000 29.655 ( 0.000 0.000 0.000) 0.000 29.800 ( 0.000 0.000 0.000) 0.000 30.149 ( 0.000 0.000 0.000) 0.000 30.247 ( 0.000 0.000 0.000) 0.000 30.258 ( 0.000 0.000 -0.000) 0.000 30.356 ( 0.000 0.000 0.000) 0.000 30.731 ( 0.000 0.000 0.000) 0.000 30.800 ( 0.000 0.000 0.000) 0.000 31.150 ( 0.000 0.000 0.000) 0.000 31.266 ( 0.000 0.000 -0.000) 0.000 31.270 ( 0.000 0.000 0.000) 0.000 31.309 ( 0.000 0.000 0.000) 0.000 31.579 ( -0.000 0.000 -0.000) 0.000 31.580 ( 0.000 0.000 0.000) 0.000 31.605 ( 0.000 0.000 0.000) 0.000 31.776 ( 0.000 0.000 -0.000) 0.000 31.797 ( 0.000 0.000 0.000) 0.000 31.965 ( 0.000 0.000 0.000) 0.000 32.145 ( 0.000 0.000 0.000) 0.000 32.180 ( 0.000 0.000 0.000) 0.000 32.583 ( 0.000 0.000 0.000) 0.000 32.896 ( 0.000 0.000 0.000) 0.000 32.991 ( 0.000 0.000 0.000) 0.000 33.139 ( 0.000 0.000 0.000) 0.000 34.479 ( 0.000 0.000 0.000) 0.000 34.694 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/63) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.000 31.388 0.000) 31.388 0.734 ( 0.000 32.214 0.000) 32.214 0.916 ( 0.000 12.472 0.000) 12.472 1.296 ( 0.000 0.999 0.000) 0.999 1.354 ( 0.000 33.866 0.000) 33.866 1.394 ( 0.000 6.707 0.000) 6.707 1.553 ( 0.000 30.262 0.000) 30.262 1.845 ( 0.000 13.035 0.000) 13.035 1.882 ( 0.000 -10.029 0.000) 10.029 2.041 ( 0.000 -8.867 0.000) 8.867 2.153 ( 0.000 15.959 0.000) 15.959 2.211 ( 0.000 -13.739 0.000) 13.739 2.306 ( 0.000 9.861 0.000) 9.861 2.313 ( 0.000 14.111 0.000) 14.111 2.430 ( 0.000 -0.536 0.000) 0.536 2.481 ( 0.000 0.704 0.000) 0.704 2.582 ( 0.000 2.461 0.000) 2.461 2.603 ( 0.000 -6.761 0.000) 6.761 2.624 ( 0.000 0.429 0.000) 0.429 2.689 ( 0.000 3.051 0.000) 3.051 2.738 ( 0.000 0.958 0.000) 0.958 2.795 ( 0.000 7.725 0.000) 7.725 2.836 ( 0.000 -5.334 0.000) 5.334 2.862 ( 0.000 0.771 0.000) 0.771 2.879 ( 0.000 -4.163 0.000) 4.163 3.000 ( 0.000 -3.452 0.000) 3.452 3.040 ( 0.000 -7.947 0.000) 7.947 3.115 ( 0.000 -0.262 0.000) 0.262 3.190 ( 0.000 0.910 0.000) 0.910 3.273 ( 0.000 -4.799 0.000) 4.799 3.286 ( 0.000 3.686 0.000) 3.686 3.395 ( 0.000 -4.285 0.000) 4.285 3.408 ( 0.000 9.503 0.000) 9.503 3.474 ( 0.000 6.951 0.000) 6.951 3.542 ( 0.000 -2.127 0.000) 2.127 3.602 ( 0.000 -0.468 0.000) 0.468 3.638 ( 0.000 -0.593 0.000) 0.593 3.700 ( 0.000 1.314 0.000) 1.314 3.797 ( 0.000 -3.091 0.000) 3.091 3.875 ( 0.000 -10.593 0.000) 10.593 4.032 ( 0.000 0.848 0.000) 0.848 4.107 ( 0.000 -3.768 0.000) 3.768 4.144 ( 0.000 7.033 0.000) 7.033 4.148 ( 0.000 -5.020 0.000) 5.020 4.310 ( 0.000 4.591 0.000) 4.591 4.390 ( 0.000 3.630 0.000) 3.630 4.466 ( 0.000 6.627 0.000) 6.627 4.498 ( 0.000 2.879 0.000) 2.879 4.581 ( 0.000 6.085 0.000) 6.085 4.627 ( 0.000 -7.753 0.000) 7.753 4.793 ( 0.000 -8.335 0.000) 8.335 4.812 ( 0.000 -1.628 0.000) 1.628 4.875 ( 0.000 -1.307 0.000) 1.307 4.890 ( 0.000 0.041 0.000) 0.041 5.018 ( 0.000 8.458 0.000) 8.458 5.104 ( 0.000 -5.062 0.000) 5.062 5.262 ( 0.000 -0.472 0.000) 0.472 5.265 ( 0.000 3.989 0.000) 3.989 5.299 ( 0.000 -9.297 0.000) 9.297 5.440 ( 0.000 -4.086 0.000) 4.086 5.527 ( 0.000 -4.743 0.000) 4.743 5.572 ( 0.000 -0.822 0.000) 0.822 5.640 ( 0.000 -3.236 0.000) 3.236 5.880 ( 0.000 -4.288 0.000) 4.288 5.893 ( 0.000 -4.959 0.000) 4.959 5.950 ( 0.000 -6.658 0.000) 6.658 5.988 ( 0.000 -3.539 0.000) 3.539 6.078 ( 0.000 -5.025 0.000) 5.025 6.224 ( 0.000 -4.800 0.000) 4.800 6.379 ( 0.000 -18.367 0.000) 18.367 6.591 ( 0.000 -0.430 0.000) 0.430 6.601 ( 0.000 -4.681 0.000) 4.681 6.702 ( 0.000 -1.074 0.000) 1.074 6.795 ( 0.000 -2.013 0.000) 2.013 6.964 ( 0.000 -6.627 0.000) 6.627 6.970 ( 0.000 -6.677 0.000) 6.677 7.282 ( 0.000 6.869 0.000) 6.869 7.360 ( 0.000 4.136 0.000) 4.136 7.405 ( 0.000 8.732 0.000) 8.732 7.487 ( 0.000 -0.607 0.000) 0.607 7.651 ( 0.000 1.644 0.000) 1.644 7.754 ( 0.000 1.513 0.000) 1.513 7.842 ( 0.000 -3.579 0.000) 3.579 7.895 ( 0.000 -11.684 0.000) 11.684 8.116 ( 0.000 3.622 0.000) 3.622 8.277 ( 0.000 -2.809 0.000) 2.809 8.294 ( 0.000 0.375 0.000) 0.375 8.528 ( 0.000 -10.205 0.000) 10.205 8.599 ( 0.000 6.852 0.000) 6.852 8.694 ( 0.000 2.555 0.000) 2.555 8.764 ( 0.000 5.845 0.000) 5.845 9.110 ( 0.000 2.566 0.000) 2.566 9.163 ( 0.000 -0.587 0.000) 0.587 9.250 ( 0.000 11.011 0.000) 11.011 9.290 ( 0.000 5.435 0.000) 5.435 9.454 ( 0.000 4.150 0.000) 4.150 9.602 ( 0.000 2.515 0.000) 2.515 9.707 ( 0.000 -1.775 0.000) 1.775 9.841 ( 0.000 -0.283 0.000) 0.283 9.960 ( 0.000 -7.871 0.000) 7.871 10.035 ( 0.000 2.317 0.000) 2.317 10.051 ( 0.000 -0.041 0.000) 0.041 10.105 ( 0.000 -0.228 0.000) 0.228 10.175 ( 0.000 -3.490 0.000) 3.490 10.512 ( 0.000 2.682 0.000) 2.682 10.514 ( 0.000 0.295 0.000) 0.295 10.589 ( 0.000 0.100 0.000) 0.100 10.652 ( 0.000 -0.683 0.000) 0.683 10.967 ( 0.000 8.923 0.000) 8.923 11.162 ( 0.000 -0.046 0.000) 0.046 11.243 ( 0.000 2.209 0.000) 2.209 11.273 ( 0.000 -2.895 0.000) 2.895 11.526 ( 0.000 5.817 0.000) 5.817 11.642 ( 0.000 0.898 0.000) 0.898 11.662 ( 0.000 6.496 0.000) 6.496 11.838 ( 0.000 5.427 0.000) 5.427 11.850 ( 0.000 -6.257 0.000) 6.257 11.894 ( 0.000 3.452 0.000) 3.452 12.186 ( 0.000 4.235 0.000) 4.235 12.250 ( 0.000 2.154 0.000) 2.154 12.461 ( 0.000 1.056 0.000) 1.056 12.472 ( 0.000 -0.376 0.000) 0.376 12.917 ( 0.000 0.432 0.000) 0.432 12.996 ( 0.000 -1.093 0.000) 1.093 13.151 ( 0.000 -3.910 0.000) 3.910 13.163 ( 0.000 -6.592 0.000) 6.592 13.253 ( 0.000 1.165 0.000) 1.165 13.257 ( 0.000 0.158 0.000) 0.158 13.357 ( 0.000 0.771 0.000) 0.771 13.471 ( 0.000 -1.732 0.000) 1.732 13.503 ( 0.000 0.060 0.000) 0.060 13.688 ( 0.000 -13.829 0.000) 13.829 14.243 ( 0.000 9.074 0.000) 9.074 14.413 ( 0.000 0.392 0.000) 0.392 14.456 ( 0.000 0.431 0.000) 0.431 14.497 ( 0.000 -1.476 0.000) 1.476 14.560 ( 0.000 -3.679 0.000) 3.679 14.579 ( 0.000 1.926 0.000) 1.926 14.586 ( 0.000 -1.786 0.000) 1.786 14.764 ( 0.000 0.807 0.000) 0.807 14.853 ( 0.000 -1.393 0.000) 1.393 14.913 ( 0.000 -13.759 0.000) 13.759 15.290 ( 0.000 7.245 0.000) 7.245 15.428 ( 0.000 0.071 0.000) 0.071 15.583 ( 0.000 7.006 0.000) 7.006 15.737 ( 0.000 -0.654 0.000) 0.654 16.998 ( 0.000 2.608 0.000) 2.608 17.110 ( 0.000 -2.378 0.000) 2.378 17.280 ( 0.000 4.486 0.000) 4.486 17.486 ( 0.000 -3.808 0.000) 3.808 18.252 ( 0.000 6.788 0.000) 6.788 18.622 ( 0.000 -5.226 0.000) 5.226 19.125 ( 0.000 -1.877 0.000) 1.877 19.141 ( 0.000 -4.578 0.000) 4.578 19.540 ( 0.000 4.100 0.000) 4.100 19.790 ( 0.000 -7.464 0.000) 7.464 20.371 ( 0.000 14.343 0.000) 14.343 21.028 ( 0.000 -9.786 0.000) 9.786 21.201 ( 0.000 -4.704 0.000) 4.704 21.219 ( 0.000 -0.495 0.000) 0.495 21.740 ( 0.000 10.595 0.000) 10.595 22.010 ( 0.000 -4.070 0.000) 4.070 22.030 ( 0.000 0.526 0.000) 0.526 22.138 ( 0.000 -2.040 0.000) 2.040 22.353 ( 0.000 3.477 0.000) 3.477 22.411 ( 0.000 0.104 0.000) 0.104 22.426 ( 0.000 2.028 0.000) 2.028 22.567 ( 0.000 -2.208 0.000) 2.208 27.530 ( 0.000 6.767 0.000) 6.767 27.931 ( 0.000 -7.734 0.000) 7.734 28.007 ( 0.000 5.473 0.000) 5.473 28.343 ( 0.000 -8.049 0.000) 8.049 28.652 ( 0.000 4.772 0.000) 4.772 28.687 ( 0.000 0.022 0.000) 0.022 28.736 ( 0.000 -1.356 0.000) 1.356 28.780 ( 0.000 0.850 0.000) 0.850 28.853 ( 0.000 -1.751 0.000) 1.751 28.896 ( 0.000 -3.219 0.000) 3.219 29.124 ( 0.000 1.598 0.000) 1.598 29.164 ( 0.000 1.234 0.000) 1.234 29.477 ( 0.000 4.711 0.000) 4.711 29.488 ( 0.000 1.762 0.000) 1.762 29.649 ( 0.000 -4.402 0.000) 4.402 29.713 ( 0.000 -4.644 0.000) 4.644 29.833 ( 0.000 3.016 0.000) 3.016 29.901 ( 0.000 0.482 0.000) 0.482 29.975 ( 0.000 -3.808 0.000) 3.808 29.978 ( 0.000 -1.393 0.000) 1.393 30.273 ( 0.000 1.251 0.000) 1.251 30.342 ( 0.000 -0.076 0.000) 0.076 30.437 ( 0.000 14.499 0.000) 14.499 30.899 ( 0.000 -0.304 0.000) 0.304 31.051 ( 0.000 1.934 0.000) 1.934 31.154 ( 0.000 3.044 0.000) 3.044 31.187 ( 0.000 -7.197 0.000) 7.197 31.422 ( 0.000 -2.496 0.000) 2.496 31.459 ( 0.000 -3.061 0.000) 3.061 31.470 ( 0.000 -8.626 0.000) 8.626 31.617 ( 0.000 3.229 0.000) 3.229 31.659 ( 0.000 2.106 0.000) 2.106 31.824 ( 0.000 3.550 0.000) 3.550 31.874 ( 0.000 -0.610 0.000) 0.610 32.424 ( 0.000 -1.128 0.000) 1.128 32.475 ( 0.000 -1.742 0.000) 1.742 32.736 ( 0.000 5.966 0.000) 5.966 32.748 ( 0.000 1.159 0.000) 1.159 32.896 ( 0.000 2.307 0.000) 2.307 33.274 ( 0.000 -8.460 0.000) 8.460 34.396 ( 0.000 4.766 0.000) 4.766 34.622 ( 0.000 -3.737 0.000) 3.737 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 16.738 12.614 5.348) 21.631 0.941 ( 13.854 15.314 13.815) 24.846 1.178 ( -4.241 13.998 2.844) 14.900 1.283 ( -2.086 18.010 -4.154) 18.600 1.352 ( 9.466 7.191 4.726) 12.793 1.425 ( -4.420 8.843 3.423) 10.462 1.652 ( 14.694 19.871 16.505) 29.718 1.764 ( -2.319 20.147 2.751) 20.465 1.902 ( -0.357 3.285 -3.327) 4.689 2.046 ( 4.382 -12.268 -6.244) 14.446 2.208 ( -1.226 11.766 6.420) 13.459 2.259 ( -0.561 8.030 9.071) 12.127 2.289 ( 1.405 -3.476 0.339) 3.764 2.381 ( 2.566 4.167 0.556) 4.925 2.427 ( 1.872 0.757 -3.850) 4.347 2.507 ( -5.776 1.926 -0.200) 6.092 2.524 ( 0.739 -1.957 0.083) 2.093 2.617 ( -1.875 -2.584 -1.181) 3.404 2.644 ( 1.967 -4.157 0.015) 4.599 2.687 ( 3.873 3.576 0.870) 5.343 2.711 ( -3.464 3.776 -3.244) 6.065 2.772 ( 0.351 4.036 -1.836) 4.448 2.793 ( -1.350 3.681 0.118) 3.922 2.849 ( 2.150 -1.020 -0.761) 2.498 2.903 ( 1.530 2.630 0.441) 3.075 2.996 ( -0.880 -3.053 2.324) 3.936 3.047 ( 1.344 -6.210 -0.599) 6.382 3.127 ( -2.812 0.160 0.505) 2.861 3.221 ( 2.991 0.882 2.225) 3.831 3.277 ( -1.129 2.352 -0.299) 2.626 3.309 ( 0.248 -0.261 2.724) 2.747 3.347 ( -0.394 2.426 -0.144) 2.462 3.404 ( -0.673 -3.432 0.200) 3.503 3.460 ( -9.427 1.047 -1.374) 9.584 3.547 ( -4.717 1.168 -0.662) 4.904 3.629 ( 0.642 0.313 6.737) 6.775 3.648 ( 3.194 1.592 -4.065) 5.409 3.720 ( -4.628 4.208 -2.584) 6.767 3.778 ( 9.692 4.694 5.538) 12.109 3.870 ( -2.855 0.912 -1.885) 3.540 4.006 ( -0.441 -3.143 2.436) 4.000 4.086 ( 1.180 0.277 -3.432) 3.639 4.103 ( -1.921 -3.120 -4.947) 6.156 4.148 ( -2.548 -6.467 -0.431) 6.964 4.269 ( -2.500 -2.219 -1.463) 3.649 4.303 ( -7.862 2.655 -1.351) 8.407 4.408 ( 0.585 -2.314 0.785) 2.513 4.466 ( -1.297 0.346 -5.039) 5.215 4.593 ( 3.732 1.200 -3.605) 5.325 4.642 ( -4.062 -0.136 1.426) 4.307 4.672 ( -1.387 -3.655 2.353) 4.563 4.838 ( -2.090 -3.197 0.331) 3.834 4.908 ( 2.601 3.460 -7.449) 8.615 5.002 ( 0.228 1.706 2.052) 2.679 5.018 ( 0.916 0.704 -2.557) 2.805 5.139 ( 0.758 -1.903 -1.706) 2.666 5.171 ( -3.668 -3.500 -0.781) 5.129 5.247 ( -2.618 0.502 3.998) 4.805 5.332 ( 1.149 -11.153 -5.178) 12.350 5.396 ( 0.486 -0.783 -1.528) 1.785 5.462 ( -1.858 -5.013 0.534) 5.373 5.554 ( -6.540 -9.790 -5.373) 12.942 5.618 ( 2.745 -0.908 -0.497) 2.934 5.843 ( -1.157 1.635 2.018) 2.843 5.900 ( -4.501 1.167 -4.409) 6.408 5.968 ( -2.754 -5.437 -1.933) 6.394 6.031 ( 9.155 -2.170 5.681) 10.991 6.085 ( 6.337 1.506 -4.938) 8.174 6.212 ( 2.510 -8.318 -0.826) 8.728 6.341 ( -3.119 -15.140 4.424) 16.079 6.417 ( -5.333 -6.426 -4.929) 9.697 6.576 ( -1.099 1.866 -0.042) 2.166 6.761 ( 4.969 -6.340 -2.464) 8.423 6.834 ( 2.716 -4.754 -4.467) 7.066 7.060 ( 1.826 1.576 2.729) 3.643 7.124 ( 5.868 -2.268 10.648) 12.367 7.145 ( -7.145 3.223 -0.472) 7.853 7.287 ( -1.784 -1.877 -1.862) 3.189 7.469 ( 5.789 5.691 5.005) 9.537 7.608 ( 8.900 0.756 -5.097) 10.284 7.656 ( -10.221 3.513 -6.907) 12.827 7.688 ( -1.199 -1.875 2.784) 3.564 7.743 ( -9.284 -0.564 0.598) 9.320 7.921 ( 3.848 0.926 3.580) 5.337 8.089 ( -3.531 -7.216 8.911) 11.997 8.273 ( 5.621 -1.038 -7.319) 9.287 8.353 ( -7.051 -2.940 7.101) 10.430 8.471 ( 8.464 -3.971 -5.822) 11.014 8.669 ( 1.881 4.624 -3.415) 6.048 8.728 ( 5.549 0.485 1.074) 5.673 8.877 ( 7.932 4.336 6.418) 11.086 9.097 ( -1.124 5.858 -0.511) 5.987 9.112 ( -5.539 3.449 0.502) 6.545 9.236 ( -4.673 2.035 6.012) 7.882 9.346 ( 3.326 7.300 4.037) 8.981 9.417 ( 0.155 5.043 -5.370) 7.369 9.649 ( 2.863 0.121 1.764) 3.365 9.719 ( -1.360 -2.266 2.514) 3.648 9.783 ( -0.218 1.761 -1.982) 2.660 9.950 ( -2.330 3.616 -2.260) 4.860 10.021 ( 0.325 -1.823 2.366) 3.004 10.060 ( -1.029 0.833 -0.265) 1.350 10.111 ( -1.411 -3.322 -3.693) 5.164 10.181 ( 2.375 -1.205 0.811) 2.784 10.439 ( -4.645 -0.573 -5.557) 7.265 10.501 ( -3.468 -2.281 -3.034) 5.141 10.512 ( -4.567 2.024 -0.829) 5.064 10.626 ( -3.859 -1.283 -2.129) 4.590 10.959 ( -1.083 6.032 3.414) 7.015 11.109 ( -8.886 -0.319 -2.525) 9.243 11.230 ( 8.568 2.664 -0.790) 9.007 11.355 ( 7.585 0.082 1.475) 7.727 11.522 ( -0.531 5.913 -2.756) 6.546 11.571 ( 2.258 6.575 -8.985) 11.360 11.653 ( 0.436 3.161 -6.115) 6.898 11.809 ( -2.383 4.185 -3.492) 5.948 11.895 ( -2.245 1.504 2.496) 3.678 11.965 ( 4.112 -1.118 8.486) 9.496 12.099 ( -3.419 4.759 2.963) 6.567 12.159 ( -4.386 2.711 -2.089) 5.563 12.455 ( 4.787 5.454 0.923) 7.315 12.593 ( 9.087 0.074 4.319) 10.062 12.734 ( -17.750 0.885 2.919) 18.010 12.926 ( -9.538 -3.829 -5.794) 11.799 13.004 ( -3.322 0.621 -4.563) 5.678 13.126 ( -3.461 -3.831 -4.264) 6.696 13.278 ( 1.068 2.616 -0.723) 2.916 13.305 ( 3.940 -3.210 1.373) 5.264 13.317 ( 4.440 0.477 0.893) 4.554 13.587 ( 8.438 1.384 0.859) 8.594 13.679 ( 0.752 -14.374 6.644) 15.853 13.917 ( 7.119 -14.935 11.143) 19.947 14.261 ( 3.974 6.994 -4.440) 9.188 14.309 ( -6.225 0.327 -3.393) 7.097 14.447 ( -2.315 1.266 -2.938) 3.949 14.454 ( -2.322 -1.295 -2.071) 3.370 14.520 ( -3.536 -0.895 2.261) 4.291 14.611 ( 1.498 -7.480 -0.712) 7.662 14.694 ( 7.455 -4.224 1.554) 8.708 14.774 ( -1.529 -0.872 3.510) 3.926 14.985 ( 12.336 -1.444 1.722) 12.539 15.168 ( 13.274 -9.792 12.248) 20.545 15.336 ( -2.395 4.330 10.976) 12.040 15.440 ( 1.508 0.710 0.703) 1.809 15.515 ( -2.573 6.559 -2.885) 7.614 15.699 ( -3.145 -0.885 -2.337) 4.017 16.915 ( -8.080 1.739 0.256) 8.269 17.055 ( -9.230 -3.095 -0.460) 9.746 17.416 ( 12.517 -2.367 1.764) 12.860 17.488 ( 3.749 -1.650 -4.813) 6.320 18.260 ( 0.603 4.208 2.539) 4.951 18.615 ( -2.808 -7.995 -2.864) 8.944 19.084 ( 3.918 2.330 1.962) 4.962 19.248 ( 6.076 -3.340 0.505) 6.952 19.661 ( 8.693 -0.420 4.087) 9.615 19.773 ( 1.379 -3.907 -3.913) 5.698 20.364 ( 2.066 11.736 -1.828) 12.056 20.877 ( -3.171 -7.830 -12.313) 14.933 21.258 ( 4.437 0.121 5.662) 7.195 21.367 ( 5.345 -5.128 6.487) 9.846 21.754 ( -4.376 7.146 4.977) 9.747 21.933 ( -5.888 -2.967 -2.555) 7.072 22.045 ( 0.371 0.744 1.269) 1.517 22.125 ( -1.543 -0.345 -0.981) 1.861 22.283 ( -7.423 4.027 -0.159) 8.446 22.376 ( -4.071 1.270 0.868) 4.352 22.429 ( -0.271 1.387 -0.134) 1.420 22.550 ( -2.776 -2.052 0.525) 3.491 27.562 ( 1.310 7.226 4.544) 8.636 27.885 ( -2.889 -1.151 -2.161) 3.787 28.055 ( 2.273 -1.461 3.272) 4.243 28.316 ( -2.115 -8.224 -1.979) 8.720 28.593 ( -2.794 4.196 -3.897) 6.371 28.686 ( -1.850 -0.919 0.509) 2.128 28.705 ( -5.777 2.332 0.320) 6.238 28.773 ( -0.301 0.554 -3.022) 3.087 28.815 ( 1.731 1.040 0.026) 2.020 28.874 ( 1.510 9.606 -12.007) 15.450 28.994 ( 5.630 -2.032 2.467) 6.474 29.203 ( -3.599 -3.414 -5.500) 7.406 29.371 ( -0.993 4.180 -0.905) 4.391 29.508 ( -3.045 -3.227 -5.966) 7.435 29.717 ( 4.077 -0.450 11.227) 11.952 29.801 ( -0.785 -0.560 2.759) 2.922 29.873 ( -2.290 0.304 -1.163) 2.586 29.882 ( -3.107 -3.593 3.448) 5.870 30.021 ( 9.118 -0.390 0.722) 9.155 30.101 ( 12.869 -5.372 -0.045) 13.945 30.272 ( -1.563 0.354 1.966) 2.536 30.301 ( -4.544 0.510 -0.187) 4.577 30.375 ( -7.233 15.456 4.188) 17.571 30.792 ( -1.116 10.278 -3.947) 11.066 30.995 ( -3.356 -6.289 1.292) 7.244 31.183 ( 0.853 -5.006 1.849) 5.405 31.290 ( 0.246 -0.762 3.762) 3.847 31.328 ( -3.584 0.251 -0.471) 3.624 31.494 ( 0.093 -1.861 1.321) 2.284 31.566 ( 4.471 -3.018 0.156) 5.397 31.603 ( -2.039 3.116 3.106) 4.849 31.646 ( -0.115 -0.399 1.618) 1.671 31.791 ( 1.628 4.039 -4.545) 6.294 31.934 ( 0.738 -1.787 3.788) 4.252 32.372 ( 0.772 -0.924 -9.557) 9.633 32.406 ( 1.291 -1.325 -10.243) 10.409 32.679 ( -4.390 3.107 1.896) 5.703 32.850 ( 3.744 4.012 3.879) 6.720 32.928 ( -5.606 -3.469 9.421) 11.499 33.320 ( 3.575 -7.117 -0.082) 7.965 34.349 ( -1.346 5.635 -0.246) 5.798 34.592 ( 4.032 -2.768 -9.075) 10.309 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -9.165 8.751 -0.493) 12.681 1.141 ( 6.429 4.278 -5.240) 9.332 1.218 ( 15.378 6.614 1.123) 16.778 1.364 ( 4.745 9.300 8.112) 13.222 1.520 ( 4.113 5.663 14.434) 16.041 1.609 ( 4.301 9.159 6.488) 12.020 1.735 ( -0.059 4.875 4.759) 6.813 1.835 ( 6.025 11.146 -4.278) 13.373 1.991 ( 9.571 4.295 -7.096) 12.665 2.166 ( 3.276 5.651 4.518) 7.942 2.216 ( -8.004 -0.248 4.530) 9.201 2.233 ( -0.925 -2.215 0.468) 2.446 2.286 ( -6.554 -0.356 0.520) 6.585 2.372 ( 0.650 8.358 -1.279) 8.480 2.464 ( 1.805 2.519 5.184) 6.039 2.474 ( -3.736 -0.501 4.973) 6.240 2.518 ( -0.970 1.766 -1.491) 2.507 2.561 ( 0.136 1.966 0.583) 2.055 2.676 ( 1.702 -2.696 -0.069) 3.189 2.712 ( -1.562 5.637 -2.653) 6.423 2.736 ( -1.946 10.089 2.530) 10.582 2.745 ( -1.092 3.078 0.955) 3.403 2.772 ( 1.586 0.861 1.782) 2.536 2.874 ( 0.122 5.947 -1.640) 6.170 2.923 ( -1.604 5.862 2.404) 6.535 2.999 ( -3.136 1.335 -0.933) 3.534 3.036 ( 1.413 0.605 2.593) 3.015 3.099 ( 1.968 2.957 1.298) 3.782 3.206 ( -1.942 1.407 -1.659) 2.916 3.280 ( 0.631 0.085 0.105) 0.646 3.290 ( -2.254 4.943 -1.780) 5.717 3.321 ( 0.955 0.047 3.187) 3.328 3.348 ( -1.494 -2.055 -0.033) 2.541 3.455 ( 0.984 0.597 -1.393) 1.807 3.573 ( -0.738 -0.946 7.612) 7.706 3.600 ( -1.233 -0.480 -6.191) 6.331 3.663 ( 1.262 2.436 0.494) 2.788 3.761 ( 9.935 3.437 0.394) 10.521 3.831 ( -2.240 2.201 -5.271) 6.136 3.881 ( -4.365 8.316 -2.767) 9.791 3.949 ( -1.119 0.739 -4.994) 5.171 4.001 ( -3.207 -11.614 1.421) 12.133 4.075 ( 0.525 -3.343 2.996) 4.520 4.126 ( 2.348 -5.298 -1.114) 5.901 4.248 ( 0.807 -4.816 -0.174) 4.886 4.296 ( -0.566 -1.257 5.460) 5.631 4.375 ( 1.858 4.558 -3.737) 6.180 4.477 ( -1.009 0.678 -1.782) 2.157 4.519 ( -1.081 -2.012 1.991) 3.030 4.651 ( -5.947 -2.568 -9.251) 11.294 4.706 ( 2.524 -4.159 -0.953) 4.957 4.744 ( 0.291 -1.537 2.860) 3.260 4.785 ( -3.769 -0.619 -4.665) 6.029 4.908 ( -6.668 -1.437 -2.062) 7.126 4.998 ( -1.916 2.360 0.066) 3.040 5.062 ( -0.631 -3.704 -4.122) 5.578 5.167 ( -7.880 -5.442 -2.008) 9.785 5.197 ( -1.673 -7.119 -2.005) 7.583 5.310 ( -0.300 -2.186 -0.958) 2.406 5.378 ( -3.705 -4.578 1.534) 6.086 5.463 ( 0.127 -3.991 5.603) 6.880 5.481 ( 5.381 -2.433 -3.110) 6.674 5.726 ( 4.932 -5.561 3.848) 8.370 5.786 ( -2.286 1.856 -4.709) 5.554 5.827 ( -3.815 2.202 0.465) 4.429 5.900 ( 0.495 -5.768 -4.583) 7.384 6.075 ( 2.589 2.694 -3.277) 4.970 6.149 ( 6.407 -7.694 -2.924) 10.430 6.256 ( -3.736 -12.363 -1.432) 12.995 6.328 ( -0.663 -15.107 0.129) 15.122 6.509 ( 4.942 3.525 1.265) 6.201 6.548 ( 1.188 -0.945 -2.683) 3.083 6.763 ( 3.160 -1.704 2.591) 4.428 6.870 ( 3.271 -0.232 -2.290) 4.000 6.953 ( -2.035 -3.783 6.648) 7.915 7.081 ( -8.060 6.965 -15.521) 18.825 7.195 ( -2.137 -7.668 6.003) 9.971 7.363 ( -5.896 -2.978 1.415) 6.755 7.404 ( -3.808 4.741 -0.940) 6.153 7.527 ( 2.198 4.831 0.463) 5.327 7.610 ( 3.979 1.270 2.856) 5.060 7.785 ( 9.637 -3.692 -1.711) 10.461 7.846 ( 3.378 0.188 8.076) 8.756 7.983 ( 2.982 -0.811 4.168) 5.189 8.227 ( 4.763 -6.595 6.550) 10.444 8.277 ( -1.431 1.102 4.868) 5.193 8.345 ( 3.540 -5.859 1.357) 6.979 8.511 ( 3.295 -3.730 -4.045) 6.414 8.657 ( -0.896 1.986 -1.438) 2.610 8.775 ( 1.606 2.048 -2.373) 3.522 9.019 ( -4.943 3.431 0.090) 6.018 9.058 ( -3.447 6.671 4.013) 8.513 9.104 ( 5.499 2.029 6.073) 8.440 9.254 ( -1.779 7.790 -1.978) 8.232 9.337 ( 3.683 1.165 -1.887) 4.300 9.499 ( 2.315 5.728 8.320) 10.363 9.652 ( -0.448 -1.127 -0.906) 1.514 9.706 ( -0.988 0.362 0.667) 1.246 9.868 ( 5.470 2.307 3.479) 6.881 9.945 ( -3.242 4.758 -0.274) 5.764 9.973 ( 0.155 2.130 -1.129) 2.416 10.025 ( 0.117 1.197 -3.155) 3.377 10.040 ( -4.147 2.785 -1.258) 5.151 10.195 ( -1.307 -1.620 -1.581) 2.614 10.265 ( -8.019 -1.568 -4.381) 9.271 10.357 ( -3.184 -2.527 -8.181) 9.135 10.445 ( -4.027 -2.327 -4.511) 6.479 10.506 ( -7.798 -4.606 -0.188) 9.058 10.980 ( -4.373 2.436 -0.983) 5.101 11.051 ( 5.160 0.226 3.878) 6.459 11.361 ( 5.720 6.974 -1.731) 9.184 11.384 ( -0.705 2.680 -4.772) 5.518 11.513 ( 3.653 8.230 -5.978) 10.808 11.548 ( 4.320 2.910 0.544) 5.237 11.586 ( -0.119 3.151 0.730) 3.236 11.777 ( 0.632 3.523 -0.728) 3.653 11.851 ( -5.095 0.978 2.773) 5.882 12.070 ( -0.658 0.298 -2.569) 2.669 12.088 ( 1.822 2.793 2.913) 4.428 12.186 ( 2.870 0.005 -2.012) 3.505 12.510 ( -1.338 -1.506 4.162) 4.623 12.553 ( -12.687 -2.080 1.523) 12.946 12.714 ( -3.288 1.896 -0.941) 3.911 12.762 ( 0.388 2.182 1.492) 2.672 12.947 ( 3.297 -1.790 2.358) 4.431 13.029 ( -1.607 -4.185 -1.511) 4.731 13.340 ( 2.336 0.827 3.963) 4.674 13.342 ( 1.962 -4.538 -1.428) 5.146 13.449 ( 4.664 -1.298 6.096) 7.785 13.678 ( 2.683 -5.488 1.239) 6.233 13.791 ( 6.408 -1.639 0.699) 6.652 14.029 ( -1.907 -8.967 4.852) 10.372 14.156 ( -5.647 2.493 -5.033) 7.965 14.283 ( 2.883 2.395 -1.857) 4.183 14.375 ( -2.529 -0.055 -2.876) 3.830 14.383 ( -2.659 -1.214 -3.144) 4.293 14.490 ( -2.320 1.549 -0.132) 2.793 14.588 ( -1.144 -9.010 -2.453) 9.408 14.785 ( -1.564 -1.151 2.211) 2.943 14.810 ( 6.842 -5.996 0.007) 9.098 15.157 ( 4.358 5.280 -0.925) 6.909 15.271 ( -1.985 3.326 -1.526) 4.163 15.434 ( 7.328 5.323 5.278) 10.483 15.492 ( 1.761 4.182 -0.141) 4.540 15.607 ( -2.708 0.225 -3.753) 4.634 15.642 ( 6.761 -7.668 12.193) 15.911 16.796 ( -8.271 0.662 0.953) 8.352 16.909 ( -8.806 -2.316 0.763) 9.137 17.478 ( 3.205 1.790 -4.146) 5.538 17.605 ( 9.252 -5.132 2.397) 10.848 18.345 ( 2.768 -2.326 5.615) 6.679 18.457 ( -8.884 -4.358 -4.558) 10.895 19.268 ( 12.510 -0.890 2.432) 12.775 19.302 ( 4.018 -1.664 -5.355) 6.898 19.687 ( 0.364 3.396 -4.430) 5.594 19.878 ( 8.536 -3.983 4.079) 10.265 20.418 ( 5.649 7.713 0.982) 9.611 20.738 ( 2.038 -5.191 -8.301) 10.000 21.352 ( -0.764 0.088 -1.714) 1.879 21.458 ( 3.363 -1.835 0.218) 3.838 21.752 ( -6.145 1.430 5.168) 8.156 21.829 ( -4.035 0.294 3.370) 5.265 22.022 ( -4.887 0.735 -2.376) 5.484 22.065 ( -3.518 -1.759 -2.100) 4.459 22.200 ( -3.608 4.919 3.300) 6.936 22.327 ( -4.299 2.014 1.656) 5.027 22.419 ( -1.244 -0.141 0.520) 1.356 22.502 ( -3.810 -1.469 -0.035) 4.083 27.676 ( 3.234 5.703 8.504) 10.738 27.815 ( -3.671 2.654 -1.074) 4.656 28.133 ( 1.803 -4.859 4.341) 6.760 28.245 ( -2.649 -7.464 -3.290) 8.577 28.518 ( -1.205 3.471 -3.902) 5.360 28.602 ( -3.494 4.866 -3.684) 7.032 28.658 ( -1.578 -1.883 -0.856) 2.601 28.728 ( -2.528 -2.141 -1.913) 3.826 28.819 ( 2.182 5.039 -3.440) 6.479 28.874 ( 4.065 3.653 -1.437) 5.651 29.059 ( -1.175 -1.999 -7.451) 7.804 29.121 ( 5.791 -2.697 3.457) 7.263 29.384 ( -0.945 1.064 1.167) 1.840 29.438 ( 0.400 0.068 0.503) 0.646 29.729 ( -5.319 1.249 -4.034) 6.792 29.782 ( -3.037 -0.852 -2.627) 4.105 29.814 ( -1.964 1.008 -0.154) 2.213 29.947 ( 1.074 -2.000 5.440) 5.895 30.154 ( -1.660 4.518 -0.393) 4.829 30.167 ( 7.590 0.755 0.754) 7.665 30.230 ( -4.457 1.112 0.295) 4.603 30.280 ( 0.584 -0.246 0.740) 0.974 30.502 ( 11.394 1.253 6.089) 12.980 30.818 ( 4.458 7.962 3.113) 9.641 30.972 ( -5.775 -10.610 3.580) 12.599 31.139 ( -4.221 -2.793 -0.443) 5.080 31.287 ( 2.682 0.770 -1.889) 3.370 31.374 ( 1.239 -1.724 2.509) 3.287 31.477 ( -6.756 7.752 7.139) 12.518 31.578 ( 2.803 2.134 -2.422) 4.275 31.656 ( 2.989 -0.312 0.929) 3.146 31.707 ( -2.020 -3.158 8.097) 8.922 31.781 ( 1.666 1.277 -0.305) 2.121 31.945 ( -2.811 -3.003 0.025) 4.114 32.239 ( 0.230 -0.481 -12.678) 12.690 32.307 ( 3.086 -1.847 -12.273) 12.789 32.635 ( -4.376 2.300 1.615) 5.200 32.907 ( -4.315 -7.958 4.972) 10.328 32.971 ( 3.446 8.798 2.632) 9.809 33.333 ( -1.451 -1.358 -0.375) 2.023 34.393 ( 5.658 -0.286 0.479) 5.686 34.550 ( 1.703 -1.844 -4.078) 4.788 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -11.866 17.969 2.033) 21.629 1.096 ( 0.424 2.603 -4.820) 5.494 1.293 ( -0.335 -0.375 0.450) 0.675 1.476 ( 1.935 8.049 -0.843) 8.321 1.564 ( -4.940 -2.351 -4.061) 6.813 1.716 ( -2.347 3.424 -4.700) 6.271 1.862 ( 8.923 4.296 12.422) 15.886 1.911 ( 5.714 6.806 0.745) 8.918 2.088 ( 2.651 -7.675 -1.894) 8.338 2.098 ( 3.727 15.044 4.437) 16.121 2.213 ( -1.787 2.570 7.688) 8.301 2.263 ( 0.996 0.039 -0.007) 0.997 2.314 ( 0.177 8.901 4.258) 9.869 2.372 ( -1.251 8.754 -3.175) 9.396 2.430 ( 9.183 5.367 -5.077) 11.786 2.465 ( -3.167 4.765 0.111) 5.723 2.528 ( -3.159 3.653 -0.240) 4.836 2.583 ( 0.439 2.012 3.714) 4.247 2.620 ( 1.465 8.587 -1.405) 8.823 2.683 ( -2.867 1.265 4.355) 5.365 2.723 ( 0.754 3.704 -2.564) 4.567 2.779 ( 0.495 0.055 3.122) 3.162 2.828 ( -1.073 3.436 -1.409) 3.866 2.910 ( 1.159 6.910 3.402) 7.789 2.924 ( -5.152 10.559 5.075) 12.798 2.961 ( -2.448 -3.714 -2.228) 4.975 3.067 ( 2.932 0.116 0.255) 2.945 3.137 ( -4.243 3.391 -0.482) 5.453 3.138 ( 0.080 -0.256 0.302) 0.404 3.273 ( -3.291 -0.021 0.979) 3.433 3.288 ( 0.059 2.299 -1.093) 2.546 3.308 ( -5.170 -2.746 -2.973) 6.565 3.412 ( -1.059 0.515 -0.279) 1.210 3.424 ( 2.546 1.021 1.416) 3.087 3.495 ( -4.128 1.384 -2.549) 5.045 3.584 ( 3.051 -5.234 -3.682) 7.089 3.690 ( -8.669 6.118 -2.908) 11.002 3.721 ( 4.045 -2.232 -4.467) 6.427 3.813 ( 10.347 1.874 4.280) 11.353 3.892 ( 7.158 4.627 -6.687) 10.834 3.936 ( -3.684 -12.465 1.871) 13.132 4.022 ( 3.694 1.886 1.531) 4.421 4.088 ( 1.787 -1.873 -2.960) 3.933 4.145 ( 2.668 -2.300 1.794) 3.953 4.269 ( 0.626 -2.220 0.743) 2.423 4.349 ( -3.308 -1.183 0.729) 3.588 4.363 ( 2.328 -2.435 2.261) 4.057 4.474 ( 0.788 -3.951 1.171) 4.195 4.508 ( -2.634 2.538 -1.220) 3.856 4.628 ( 0.328 -0.089 5.727) 5.737 4.645 ( -7.826 1.020 -1.205) 7.984 4.689 ( -1.871 -0.091 -2.754) 3.331 4.718 ( -1.113 -4.483 3.046) 5.533 4.890 ( 2.107 -5.008 0.293) 5.441 4.996 ( -1.076 -0.740 -4.091) 4.295 5.005 ( -1.283 -2.730 2.196) 3.731 5.059 ( -1.230 -7.263 -1.894) 7.606 5.143 ( -0.804 -5.026 -2.463) 5.655 5.273 ( -2.915 -0.326 -0.380) 2.958 5.347 ( -1.996 2.226 -0.198) 2.996 5.500 ( 0.963 -1.247 -1.194) 1.977 5.563 ( 1.110 -2.585 2.341) 3.660 5.699 ( -2.663 -5.100 -2.682) 6.347 5.765 ( 2.427 1.039 -0.372) 2.666 5.777 ( -2.425 -0.829 -1.558) 2.999 5.962 ( 4.628 -7.424 3.761) 9.522 6.046 ( -0.080 -6.112 -4.203) 7.418 6.191 ( 1.355 -9.078 -0.372) 9.186 6.233 ( 2.455 -2.453 2.638) 4.359 6.273 ( -4.170 -8.575 -4.658) 10.612 6.458 ( 0.794 -3.849 -1.674) 4.272 6.534 ( 1.154 -3.398 -3.988) 5.365 6.723 ( -5.013 0.938 -13.412) 14.348 6.780 ( -4.693 0.835 -8.429) 9.683 6.994 ( -1.847 -2.151 8.338) 8.807 7.136 ( 5.773 -2.026 16.574) 17.667 7.195 ( -0.447 -0.422 1.669) 1.779 7.245 ( -2.932 -5.855 -6.220) 9.031 7.417 ( -3.779 7.073 4.917) 9.407 7.548 ( 0.898 7.145 0.531) 7.220 7.754 ( 7.029 -1.958 0.119) 7.298 7.844 ( 5.199 0.237 3.024) 6.019 8.011 ( 11.932 -7.917 -1.626) 14.412 8.098 ( 1.264 -3.330 3.786) 5.198 8.302 ( -2.997 -4.205 5.408) 7.477 8.365 ( 7.683 0.358 5.272) 9.325 8.426 ( -2.103 -4.029 0.980) 4.649 8.573 ( 3.941 2.332 2.819) 5.378 8.631 ( 2.374 -2.782 1.594) 3.990 8.688 ( -3.493 3.690 -7.436) 9.006 8.892 ( -9.160 -2.208 -6.128) 11.240 8.996 ( -5.024 -0.466 2.538) 5.648 9.239 ( 2.921 7.841 -3.110) 8.927 9.289 ( 5.924 7.630 7.091) 11.983 9.392 ( 1.392 5.514 1.537) 5.891 9.549 ( -1.020 1.722 0.404) 2.042 9.648 ( 0.182 3.465 3.783) 5.133 9.776 ( 1.927 3.921 0.878) 4.456 9.828 ( -2.622 2.736 -2.053) 4.309 9.885 ( -7.526 4.426 -1.377) 8.839 9.949 ( 1.498 0.311 -0.228) 1.547 10.005 ( 0.245 -0.112 1.285) 1.313 10.080 ( -1.691 -0.688 -3.144) 3.635 10.111 ( 3.012 0.954 -0.219) 3.167 10.183 ( -1.136 -0.452 -2.696) 2.960 10.255 ( 0.823 -0.362 -3.212) 3.335 10.301 ( -6.685 -3.535 -3.780) 8.454 10.428 ( -3.772 -6.124 0.208) 7.195 10.946 ( -0.963 4.785 1.300) 5.051 11.105 ( -0.269 4.027 -2.654) 4.831 11.305 ( 2.781 2.998 -3.841) 5.611 11.390 ( -1.554 5.774 -4.428) 7.441 11.476 ( 0.319 2.117 0.997) 2.362 11.617 ( 4.012 7.146 1.796) 8.390 11.684 ( 1.490 1.970 4.706) 5.315 11.806 ( -1.552 -0.002 2.726) 3.137 11.837 ( 2.129 2.840 2.248) 4.201 11.943 ( -5.452 1.492 -5.157) 7.652 12.106 ( -1.905 -2.125 -7.440) 7.969 12.193 ( 6.309 -4.293 -1.215) 7.727 12.390 ( -5.120 2.172 0.587) 5.593 12.502 ( -8.018 5.119 -4.035) 10.333 12.668 ( 2.267 -1.620 4.643) 5.415 12.915 ( 6.504 3.653 9.455) 12.043 13.027 ( -1.011 -9.508 3.080) 10.045 13.104 ( 6.847 -6.033 6.847) 11.409 13.309 ( -2.798 -3.902 -2.818) 5.568 13.391 ( -0.467 -1.745 -0.025) 1.807 13.583 ( 2.781 -1.451 6.640) 7.344 13.711 ( 1.534 -4.550 -1.223) 4.955 13.850 ( 3.823 4.716 -2.843) 6.703 14.016 ( -7.240 -1.178 5.322) 9.063 14.037 ( 1.336 0.430 -7.566) 7.695 14.262 ( -4.281 -0.214 -3.761) 5.703 14.327 ( -0.781 -3.788 -1.834) 4.280 14.335 ( 1.878 -2.237 0.293) 2.935 14.444 ( -1.595 -0.898 -2.525) 3.119 14.566 ( 0.547 -5.210 0.718) 5.287 14.778 ( -2.074 -0.647 1.290) 2.527 14.894 ( 4.287 -5.197 -0.217) 6.740 15.093 ( -3.700 8.794 -3.502) 10.163 15.240 ( -0.914 1.436 -2.064) 2.675 15.478 ( -0.619 8.016 -2.231) 8.344 15.561 ( 2.463 1.755 0.233) 3.034 15.655 ( 8.707 4.219 3.148) 10.175 15.824 ( 2.535 -4.332 6.305) 8.059 16.705 ( -5.292 0.496 0.892) 5.389 16.831 ( -4.204 -3.648 2.024) 5.922 17.500 ( 4.114 2.523 -1.230) 4.981 17.745 ( 4.983 -6.985 2.240) 8.868 18.243 ( -8.052 2.275 -3.030) 8.899 18.503 ( 3.226 -8.276 6.557) 11.041 19.237 ( -0.197 1.000 -7.579) 7.647 19.376 ( 2.690 -5.449 -4.306) 7.447 19.721 ( 6.477 7.609 0.374) 10.000 20.039 ( 6.237 -6.761 4.471) 10.227 20.522 ( 5.438 6.803 1.101) 8.779 20.743 ( 5.871 -1.040 -2.383) 6.421 21.243 ( -4.354 1.404 -4.570) 6.466 21.420 ( -5.360 -5.440 -4.188) 8.711 21.685 ( -3.741 5.374 -1.166) 6.651 21.813 ( -9.702 -0.060 2.225) 9.954 21.962 ( 2.147 0.564 2.850) 3.613 22.048 ( 1.808 -2.828 2.020) 3.918 22.208 ( -0.891 3.168 0.488) 3.327 22.299 ( -2.334 1.331 2.719) 3.822 22.405 ( -1.016 -0.975 -0.320) 1.444 22.443 ( -3.401 -0.610 -0.382) 3.476 27.759 ( -2.497 4.256 -0.115) 4.936 27.843 ( 3.961 3.268 9.736) 11.007 28.136 ( -2.970 -4.943 -4.339) 7.216 28.230 ( 1.222 -5.258 3.591) 6.483 28.449 ( -0.310 2.776 -5.102) 5.816 28.544 ( -0.914 1.630 -0.773) 2.022 28.624 ( -2.004 -1.273 -0.804) 2.507 28.653 ( -2.366 -5.453 -3.134) 6.720 28.810 ( 1.186 3.358 -2.814) 4.538 28.870 ( 1.071 0.812 -3.938) 4.161 29.034 ( 2.351 5.551 0.114) 6.029 29.262 ( 5.187 -3.589 6.251) 8.880 29.376 ( -0.292 -0.105 1.086) 1.129 29.508 ( 2.967 -0.412 4.104) 5.080 29.593 ( -5.242 1.302 -4.654) 7.129 29.668 ( -3.282 -1.201 -6.621) 7.486 29.783 ( -1.312 4.460 -1.975) 5.052 29.943 ( -5.381 6.619 1.193) 8.614 30.170 ( -0.351 0.063 0.716) 0.800 30.189 ( 1.126 -0.121 1.093) 1.574 30.224 ( 0.951 -2.352 -0.303) 2.555 30.314 ( 2.677 -0.530 -1.258) 3.005 30.694 ( 7.441 1.812 1.648) 7.834 30.875 ( -7.308 -3.802 0.757) 8.272 30.981 ( 6.494 1.710 7.933) 10.394 31.160 ( 1.570 -4.301 3.868) 5.994 31.288 ( 0.839 0.488 -2.409) 2.597 31.374 ( -1.633 -2.772 -1.457) 3.532 31.507 ( -1.679 8.478 8.292) 11.977 31.600 ( 1.755 2.510 0.270) 3.074 31.699 ( -0.226 2.848 0.381) 2.882 31.741 ( 0.365 -2.981 0.743) 3.094 31.845 ( 0.131 -4.225 7.782) 8.856 31.869 ( -3.356 -2.071 -1.974) 4.410 32.103 ( -0.280 -2.524 -10.225) 10.536 32.205 ( 2.271 -2.981 -11.387) 11.988 32.595 ( -2.510 2.468 0.518) 3.558 32.887 ( -2.882 -8.436 1.705) 9.076 33.057 ( 3.712 11.438 2.382) 12.259 33.280 ( -3.608 3.616 -1.562) 5.342 34.456 ( 2.969 -1.716 -1.968) 3.954 34.579 ( 3.104 -3.679 2.393) 5.375 ======================= Grid point 13 (10/63) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 0.000 22.652 0.000) 22.652 1.085 ( 0.000 4.412 0.000) 4.412 1.295 ( 0.000 8.748 0.000) 8.748 1.402 ( 0.000 2.289 0.000) 2.289 1.592 ( 0.000 1.173 0.000) 1.173 1.612 ( -0.000 1.449 -0.000) 1.449 1.934 ( 0.000 8.018 0.000) 8.018 2.026 ( 0.000 7.980 0.000) 7.980 2.086 ( -0.000 2.471 -0.000) 2.471 2.216 ( 0.000 -4.281 0.000) 4.281 2.245 ( 0.000 6.393 0.000) 6.393 2.286 ( 0.000 -3.001 0.000) 3.001 2.356 ( 0.000 18.083 0.000) 18.083 2.393 ( -0.000 13.956 0.000) 13.956 2.408 ( 0.000 -3.128 0.000) 3.128 2.419 ( 0.000 -3.474 0.000) 3.474 2.542 ( -0.000 5.845 -0.000) 5.845 2.612 ( 0.000 8.231 0.000) 8.231 2.666 ( 0.000 4.326 0.000) 4.326 2.690 ( -0.000 6.030 0.000) 6.030 2.750 ( -0.000 3.384 -0.000) 3.384 2.751 ( 0.000 0.421 0.000) 0.421 2.815 ( 0.000 2.642 0.000) 2.642 2.866 ( 0.000 6.691 0.000) 6.691 2.928 ( 0.000 -0.323 0.000) 0.323 2.978 ( 0.000 -0.102 0.000) 0.102 3.056 ( 0.000 5.848 -0.000) 5.848 3.130 ( 0.000 2.265 -0.000) 2.265 3.155 ( -0.000 -6.072 0.000) 6.072 3.157 ( 0.000 2.033 -0.000) 2.033 3.225 ( 0.000 -0.489 0.000) 0.489 3.283 ( 0.000 -0.237 0.000) 0.237 3.391 ( 0.000 4.410 0.000) 4.410 3.428 ( 0.000 0.922 0.000) 0.922 3.451 ( 0.000 -2.790 0.000) 2.790 3.526 ( 0.000 -1.790 0.000) 1.790 3.713 ( 0.000 -3.968 -0.000) 3.968 3.728 ( -0.000 -4.965 0.000) 4.965 3.886 ( 0.000 5.577 0.000) 5.577 3.925 ( 0.000 -4.048 0.000) 4.048 4.025 ( 0.000 0.792 -0.000) 0.792 4.030 ( -0.000 2.318 0.000) 2.318 4.104 ( 0.000 -1.171 -0.000) 1.171 4.178 ( 0.000 -0.769 0.000) 0.769 4.265 ( 0.000 -9.522 -0.000) 9.522 4.274 ( -0.000 4.166 0.000) 4.166 4.425 ( 0.000 -7.693 0.000) 7.693 4.461 ( 0.000 4.898 0.000) 4.898 4.494 ( 0.000 -7.414 0.000) 7.414 4.542 ( 0.000 1.124 0.000) 1.124 4.591 ( 0.000 1.256 0.000) 1.256 4.759 ( 0.000 1.324 0.000) 1.324 4.786 ( -0.000 -5.960 0.000) 5.960 4.897 ( 0.000 -3.220 0.000) 3.220 4.946 ( -0.000 6.111 0.000) 6.111 5.016 ( -0.000 -5.079 0.000) 5.079 5.031 ( 0.000 -15.453 0.000) 15.453 5.123 ( 0.000 -1.065 0.000) 1.065 5.245 ( 0.000 5.909 0.000) 5.909 5.330 ( 0.000 -0.557 0.000) 0.557 5.497 ( 0.000 1.321 0.000) 1.321 5.563 ( 0.000 -5.752 0.000) 5.752 5.645 ( 0.000 1.716 0.000) 1.716 5.744 ( 0.000 -1.488 0.000) 1.488 5.804 ( 0.000 -0.080 0.000) 0.080 6.027 ( -0.000 -8.626 0.000) 8.626 6.058 ( 0.000 -2.311 0.000) 2.311 6.163 ( 0.000 -12.365 0.000) 12.365 6.194 ( 0.000 -8.828 0.000) 8.828 6.351 ( -0.000 -13.177 -0.000) 13.177 6.426 ( 0.000 4.662 0.000) 4.662 6.452 ( 0.000 1.734 0.000) 1.734 6.598 ( 0.000 0.081 0.000) 0.081 6.753 ( 0.000 -4.839 0.000) 4.839 6.995 ( 0.000 -4.805 -0.000) 4.805 7.125 ( 0.000 -4.260 0.000) 4.260 7.226 ( -0.000 1.940 0.000) 1.940 7.329 ( 0.000 -3.801 0.000) 3.801 7.412 ( 0.000 5.001 -0.000) 5.001 7.603 ( 0.000 10.134 0.000) 10.134 7.735 ( 0.000 -3.669 0.000) 3.669 7.941 ( 0.000 1.345 0.000) 1.345 8.093 ( -0.000 -7.503 0.000) 7.503 8.150 ( 0.000 3.693 0.000) 3.693 8.338 ( 0.000 -11.826 -0.000) 11.826 8.404 ( -0.000 -4.248 0.000) 4.248 8.504 ( 0.000 2.888 0.000) 2.888 8.530 ( 0.000 4.158 0.000) 4.158 8.581 ( 0.000 3.404 0.000) 3.404 8.708 ( 0.000 -6.221 0.000) 6.221 8.837 ( -0.000 -3.269 -0.000) 3.269 8.913 ( 0.000 -3.278 0.000) 3.278 9.206 ( 0.000 9.387 0.000) 9.387 9.370 ( 0.000 0.970 0.000) 0.970 9.467 ( -0.000 12.183 -0.000) 12.183 9.545 ( 0.000 3.994 0.000) 3.994 9.710 ( 0.000 5.467 0.000) 5.467 9.747 ( 0.000 6.617 0.000) 6.617 9.751 ( -0.000 4.774 0.000) 4.774 9.845 ( 0.000 -1.625 0.000) 1.625 9.951 ( 0.000 1.859 0.000) 1.859 10.013 ( 0.000 -3.175 0.000) 3.175 10.080 ( 0.000 -3.042 0.000) 3.042 10.138 ( -0.000 -2.020 -0.000) 2.020 10.151 ( 0.000 -1.507 0.000) 1.507 10.183 ( 0.000 0.397 0.000) 0.397 10.294 ( 0.000 1.171 0.000) 1.171 10.390 ( 0.000 -4.407 0.000) 4.407 10.941 ( 0.000 6.518 0.000) 6.518 11.128 ( 0.000 0.054 -0.000) 0.054 11.194 ( 0.000 15.063 0.000) 15.063 11.454 ( 0.000 -3.429 0.000) 3.429 11.478 ( 0.000 0.693 0.000) 0.693 11.650 ( 0.000 5.770 0.000) 5.770 11.666 ( 0.000 5.186 0.000) 5.186 11.805 ( 0.000 2.551 0.000) 2.551 11.872 ( 0.000 -4.424 0.000) 4.424 11.891 ( -0.000 -3.196 -0.000) 3.196 12.142 ( -0.000 -1.206 -0.000) 1.206 12.147 ( 0.000 1.880 0.000) 1.880 12.377 ( 0.000 5.363 -0.000) 5.363 12.386 ( -0.000 5.829 0.000) 5.829 12.727 ( 0.000 -2.517 0.000) 2.517 13.034 ( 0.000 -12.941 0.000) 12.941 13.090 ( -0.000 2.027 0.000) 2.027 13.202 ( 0.000 -10.533 0.000) 10.533 13.281 ( -0.000 -1.219 -0.000) 1.219 13.321 ( 0.000 -1.353 0.000) 1.353 13.656 ( 0.000 -2.908 0.000) 2.908 13.703 ( 0.000 -1.968 0.000) 1.968 13.857 ( 0.000 7.051 0.000) 7.051 13.995 ( 0.000 -0.360 0.000) 0.360 14.009 ( 0.000 3.217 0.000) 3.217 14.182 ( 0.000 1.673 0.000) 1.673 14.309 ( 0.000 -6.881 0.000) 6.881 14.364 ( 0.000 -5.441 0.000) 5.441 14.409 ( 0.000 -1.778 0.000) 1.778 14.587 ( 0.000 -6.824 0.000) 6.824 14.767 ( 0.000 2.812 0.000) 2.812 14.921 ( 0.000 -3.524 0.000) 3.524 15.041 ( 0.000 8.474 0.000) 8.474 15.213 ( 0.000 0.305 0.000) 0.305 15.461 ( 0.000 9.977 0.000) 9.977 15.581 ( 0.000 1.717 0.000) 1.717 15.751 ( 0.000 4.335 0.000) 4.335 15.875 ( 0.000 -2.904 0.000) 2.904 16.669 ( 0.000 0.641 0.000) 0.641 16.816 ( 0.000 -4.556 0.000) 4.556 17.537 ( 0.000 1.662 0.000) 1.662 17.787 ( 0.000 -8.507 -0.000) 8.507 18.167 ( 0.000 6.377 0.000) 6.377 18.572 ( 0.000 -10.884 0.000) 10.884 19.184 ( 0.000 2.333 0.000) 2.333 19.347 ( 0.000 -4.900 0.000) 4.900 19.783 ( 0.000 7.008 0.000) 7.008 20.127 ( 0.000 -8.461 0.000) 8.461 20.573 ( 0.000 7.127 0.000) 7.127 20.790 ( 0.000 0.839 0.000) 0.839 21.179 ( 0.000 1.375 0.000) 1.375 21.326 ( 0.000 -2.362 0.000) 2.362 21.647 ( 0.000 1.162 0.000) 1.162 21.724 ( 0.000 -0.560 0.000) 0.560 22.054 ( 0.000 1.311 0.000) 1.311 22.056 ( -0.000 0.366 -0.000) 0.366 22.196 ( 0.000 1.334 0.000) 1.334 22.308 ( 0.000 -1.867 0.000) 1.867 22.383 ( -0.000 0.532 0.000) 0.532 22.416 ( 0.000 -0.406 0.000) 0.406 27.739 ( 0.000 4.762 0.000) 4.762 28.003 ( -0.000 4.726 -0.000) 4.726 28.016 ( 0.000 -5.725 0.000) 5.725 28.267 ( 0.000 -4.114 0.000) 4.114 28.418 ( 0.000 0.724 0.000) 0.724 28.536 ( 0.000 0.483 0.000) 0.483 28.584 ( 0.000 -2.942 0.000) 2.942 28.624 ( 0.000 -5.310 0.000) 5.310 28.797 ( 0.000 1.984 0.000) 1.984 28.856 ( 0.000 1.460 0.000) 1.460 29.060 ( 0.000 8.876 0.000) 8.876 29.375 ( -0.000 -5.216 -0.000) 5.216 29.390 ( 0.000 -0.911 0.000) 0.911 29.502 ( 0.000 1.970 0.000) 1.970 29.567 ( 0.000 -0.905 0.000) 0.905 29.586 ( 0.000 -5.974 0.000) 5.974 29.745 ( 0.000 12.239 0.000) 12.239 29.899 ( 0.000 7.172 0.000) 7.172 30.157 ( 0.000 0.902 0.000) 0.902 30.220 ( 0.000 -2.030 0.000) 2.030 30.239 ( 0.000 -2.163 -0.000) 2.163 30.315 ( 0.000 -3.791 0.000) 3.791 30.761 ( 0.000 2.491 0.000) 2.491 30.821 ( 0.000 1.152 0.000) 1.152 31.118 ( 0.000 -1.909 0.000) 1.909 31.186 ( 0.000 -4.327 -0.000) 4.327 31.277 ( 0.000 0.430 0.000) 0.430 31.334 ( 0.000 -0.483 0.000) 0.483 31.608 ( -0.000 3.073 -0.000) 3.073 31.615 ( 0.000 3.042 -0.000) 3.042 31.627 ( 0.000 2.358 0.000) 2.358 31.750 ( 0.000 -1.647 0.000) 1.647 31.837 ( 0.000 0.481 -0.000) 0.481 31.947 ( 0.000 0.676 0.000) 0.676 31.999 ( 0.000 -10.447 -0.000) 10.447 32.141 ( 0.000 -3.488 0.000) 3.488 32.579 ( 0.000 2.656 0.000) 2.656 32.874 ( 0.000 -8.064 0.000) 8.064 33.114 ( 0.000 12.766 -0.000) 12.766 33.226 ( 0.000 5.079 0.000) 5.079 34.462 ( 0.000 -0.635 0.000) 0.635 34.627 ( 0.000 -5.602 0.000) 5.602 ======================= Grid point 18 (11/63) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.000 -0.845 0.000) 0.845 1.072 ( 0.000 0.845 0.000) 0.845 1.353 ( 0.000 -24.639 0.000) 24.639 1.353 ( 0.000 24.639 0.000) 24.639 1.583 ( 0.000 -14.234 0.000) 14.234 1.583 ( 0.000 14.234 0.000) 14.234 1.601 ( 0.000 -20.650 0.000) 20.650 1.601 ( 0.000 20.650 0.000) 20.650 2.104 ( 0.000 -10.041 0.000) 10.041 2.104 ( 0.000 10.041 0.000) 10.041 2.343 ( 0.000 -6.558 0.000) 6.558 2.343 ( 0.000 6.558 0.000) 6.558 2.370 ( 0.000 -6.172 0.000) 6.172 2.370 ( 0.000 6.172 0.000) 6.172 2.434 ( 0.000 -1.692 0.000) 1.692 2.434 ( 0.000 1.692 0.000) 1.692 2.520 ( 0.000 -7.726 0.000) 7.726 2.520 ( 0.000 7.726 0.000) 7.726 2.704 ( 0.000 -3.758 0.000) 3.758 2.704 ( 0.000 3.758 0.000) 3.758 2.769 ( 0.000 -2.710 0.000) 2.710 2.769 ( 0.000 2.710 0.000) 2.710 2.865 ( 0.000 -1.787 0.000) 1.787 2.865 ( 0.000 1.787 0.000) 1.787 2.999 ( 0.000 -2.437 0.000) 2.437 2.999 ( 0.000 2.437 0.000) 2.437 3.040 ( 0.000 -16.061 0.000) 16.061 3.040 ( 0.000 16.061 0.000) 16.061 3.182 ( 0.000 -8.475 0.000) 8.475 3.182 ( 0.000 8.475 0.000) 8.475 3.311 ( 0.000 -0.218 0.000) 0.218 3.311 ( 0.000 0.218 0.000) 0.218 3.525 ( 0.000 -2.843 0.000) 2.843 3.525 ( 0.000 2.843 0.000) 2.843 3.618 ( 0.000 -0.084 0.000) 0.084 3.618 ( 0.000 0.084 0.000) 0.084 3.701 ( 0.000 -4.568 0.000) 4.568 3.701 ( 0.000 4.568 0.000) 4.568 3.730 ( 0.000 -13.587 0.000) 13.587 3.730 ( 0.000 13.587 0.000) 13.587 3.950 ( 0.000 -6.950 0.000) 6.950 3.950 ( 0.000 6.950 0.000) 6.950 4.123 ( 0.000 -4.850 0.000) 4.850 4.123 ( 0.000 4.850 0.000) 4.850 4.407 ( 0.000 -1.087 0.000) 1.087 4.407 ( 0.000 1.087 0.000) 1.087 4.570 ( 0.000 -2.249 0.000) 2.249 4.570 ( 0.000 2.249 0.000) 2.249 4.670 ( 0.000 -7.304 0.000) 7.304 4.670 ( 0.000 7.304 0.000) 7.304 4.719 ( 0.000 -7.142 0.000) 7.142 4.719 ( 0.000 7.142 0.000) 7.142 4.859 ( 0.000 -3.952 0.000) 3.952 4.859 ( 0.000 3.952 0.000) 3.952 5.053 ( 0.000 -6.877 0.000) 6.877 5.053 ( 0.000 6.877 0.000) 6.877 5.192 ( 0.000 -4.411 0.000) 4.411 5.192 ( 0.000 4.411 0.000) 4.411 5.369 ( 0.000 -2.887 0.000) 2.887 5.369 ( 0.000 2.887 0.000) 2.887 5.480 ( 0.000 -0.833 0.000) 0.833 5.480 ( 0.000 0.833 0.000) 0.833 5.699 ( 0.000 -7.815 0.000) 7.815 5.699 ( 0.000 7.815 0.000) 7.815 5.886 ( 0.000 -1.419 0.000) 1.419 5.886 ( 0.000 1.419 0.000) 1.419 5.956 ( 0.000 -4.954 0.000) 4.954 5.956 ( 0.000 4.954 0.000) 4.954 6.125 ( 0.000 -0.117 0.000) 0.117 6.125 ( 0.000 0.117 0.000) 0.117 6.579 ( 0.000 -0.985 0.000) 0.985 6.579 ( 0.000 0.985 0.000) 0.985 6.749 ( 0.000 -2.980 0.000) 2.980 6.749 ( 0.000 2.980 0.000) 2.980 6.885 ( 0.000 -0.308 0.000) 0.308 6.885 ( 0.000 0.308 0.000) 0.308 7.444 ( 0.000 -2.488 0.000) 2.488 7.444 ( 0.000 2.488 0.000) 2.488 7.541 ( 0.000 -10.747 0.000) 10.747 7.541 ( 0.000 10.747 0.000) 10.747 7.608 ( 0.000 -3.073 0.000) 3.073 7.608 ( 0.000 3.073 0.000) 3.073 7.782 ( 0.000 -3.111 0.000) 3.111 7.782 ( 0.000 3.111 0.000) 3.111 8.228 ( 0.000 -5.013 0.000) 5.013 8.228 ( 0.000 5.013 0.000) 5.013 8.310 ( 0.000 -4.050 0.000) 4.050 8.310 ( 0.000 4.050 0.000) 4.050 8.719 ( 0.000 -3.021 0.000) 3.021 8.719 ( 0.000 3.021 0.000) 3.021 8.972 ( 0.000 -10.221 0.000) 10.221 8.972 ( 0.000 10.221 0.000) 10.221 9.248 ( 0.000 -3.482 0.000) 3.482 9.248 ( 0.000 3.482 0.000) 3.482 9.494 ( 0.000 -3.309 0.000) 3.309 9.494 ( 0.000 3.309 0.000) 3.309 9.675 ( 0.000 -2.739 0.000) 2.739 9.675 ( 0.000 2.739 0.000) 2.739 9.814 ( 0.000 -1.637 0.000) 1.637 9.814 ( 0.000 1.637 0.000) 1.637 10.054 ( 0.000 -0.578 0.000) 0.578 10.054 ( 0.000 0.578 0.000) 0.578 10.127 ( 0.000 -1.242 0.000) 1.242 10.127 ( 0.000 1.242 0.000) 1.242 10.527 ( 0.000 -0.714 0.000) 0.714 10.527 ( 0.000 0.714 0.000) 0.714 10.616 ( 0.000 -2.143 0.000) 2.143 10.616 ( 0.000 2.143 0.000) 2.143 11.150 ( 0.000 -6.435 0.000) 6.435 11.150 ( 0.000 6.435 0.000) 6.435 11.226 ( 0.000 -2.635 0.000) 2.635 11.226 ( 0.000 2.635 0.000) 2.635 11.685 ( 0.000 -8.154 0.000) 8.154 11.685 ( 0.000 8.154 0.000) 8.154 11.712 ( 0.000 -2.515 0.000) 2.515 11.712 ( 0.000 2.515 0.000) 2.515 11.928 ( 0.000 -1.413 0.000) 1.413 11.928 ( 0.000 1.413 0.000) 1.413 12.263 ( 0.000 -1.701 0.000) 1.701 12.263 ( 0.000 1.701 0.000) 1.701 12.469 ( 0.000 -0.168 0.000) 0.168 12.469 ( 0.000 0.168 0.000) 0.168 12.957 ( 0.000 -3.682 0.000) 3.682 12.957 ( 0.000 3.682 0.000) 3.682 13.079 ( 0.000 -1.818 0.000) 1.818 13.079 ( 0.000 1.818 0.000) 1.818 13.266 ( 0.000 -0.257 0.000) 0.257 13.266 ( 0.000 0.257 0.000) 0.257 13.390 ( 0.000 -3.316 0.000) 3.316 13.390 ( 0.000 3.316 0.000) 3.316 13.523 ( 0.000 -2.349 0.000) 2.349 13.523 ( 0.000 2.349 0.000) 2.349 14.404 ( 0.000 -4.080 0.000) 4.080 14.404 ( 0.000 4.080 0.000) 4.080 14.462 ( 0.000 -2.209 0.000) 2.209 14.462 ( 0.000 2.209 0.000) 2.209 14.527 ( 0.000 -3.567 0.000) 3.567 14.527 ( 0.000 3.567 0.000) 3.567 14.662 ( 0.000 -7.294 0.000) 7.294 14.662 ( 0.000 7.294 0.000) 7.294 14.810 ( 0.000 -2.522 0.000) 2.522 14.810 ( 0.000 2.522 0.000) 2.522 15.405 ( 0.000 -2.907 0.000) 2.907 15.405 ( 0.000 2.907 0.000) 2.907 15.697 ( 0.000 -3.402 0.000) 3.402 15.697 ( 0.000 3.402 0.000) 3.402 17.059 ( 0.000 -2.627 0.000) 2.627 17.059 ( 0.000 2.627 0.000) 2.627 17.385 ( 0.000 -5.101 0.000) 5.101 17.385 ( 0.000 5.101 0.000) 5.101 18.445 ( 0.000 -10.001 0.000) 10.001 18.445 ( 0.000 10.001 0.000) 10.001 19.094 ( 0.000 -0.309 0.000) 0.309 19.094 ( 0.000 0.309 0.000) 0.309 19.646 ( 0.000 -5.732 0.000) 5.732 19.646 ( 0.000 5.732 0.000) 5.732 20.709 ( 0.000 -16.343 0.000) 16.343 20.709 ( 0.000 16.343 0.000) 16.343 21.200 ( 0.000 -1.207 0.000) 1.207 21.200 ( 0.000 1.207 0.000) 1.207 21.916 ( 0.000 -5.581 0.000) 5.581 21.916 ( 0.000 5.581 0.000) 5.581 22.067 ( 0.000 -3.165 0.000) 3.165 22.067 ( 0.000 3.165 0.000) 3.165 22.403 ( 0.000 -1.019 0.000) 1.019 22.403 ( 0.000 1.019 0.000) 1.019 22.498 ( 0.000 -3.932 0.000) 3.932 22.498 ( 0.000 3.932 0.000) 3.932 27.723 ( 0.000 -10.321 0.000) 10.321 27.723 ( 0.000 10.321 0.000) 10.321 28.161 ( 0.000 -8.312 0.000) 8.312 28.161 ( 0.000 8.312 0.000) 8.312 28.684 ( 0.000 -0.074 0.000) 0.074 28.684 ( 0.000 0.074 0.000) 0.074 28.800 ( 0.000 -4.953 0.000) 4.953 28.800 ( 0.000 4.953 0.000) 4.953 28.812 ( 0.000 -1.729 0.000) 1.729 28.812 ( 0.000 1.729 0.000) 1.729 29.161 ( 0.000 -1.320 0.000) 1.320 29.161 ( 0.000 1.320 0.000) 1.320 29.543 ( 0.000 -2.666 0.000) 2.666 29.543 ( 0.000 2.666 0.000) 2.666 29.607 ( 0.000 -4.396 0.000) 4.396 29.607 ( 0.000 4.396 0.000) 4.396 29.886 ( 0.000 -1.697 0.000) 1.697 29.886 ( 0.000 1.697 0.000) 1.697 29.948 ( 0.000 -0.762 0.000) 0.762 29.948 ( 0.000 0.762 0.000) 0.762 30.311 ( 0.000 -1.949 0.000) 1.949 30.311 ( 0.000 1.949 0.000) 1.949 30.764 ( 0.000 -13.051 0.000) 13.051 30.764 ( 0.000 13.051 0.000) 13.051 31.083 ( 0.000 -1.513 0.000) 1.513 31.083 ( 0.000 1.513 0.000) 1.513 31.267 ( 0.000 -7.378 0.000) 7.378 31.267 ( 0.000 7.378 0.000) 7.378 31.418 ( 0.000 -0.378 0.000) 0.378 31.418 ( 0.000 0.378 0.000) 0.378 31.672 ( 0.000 -1.257 0.000) 1.257 31.672 ( 0.000 1.257 0.000) 1.257 31.862 ( 0.000 -0.589 0.000) 0.589 31.862 ( 0.000 0.589 0.000) 0.589 32.433 ( 0.000 -1.670 0.000) 1.670 32.433 ( 0.000 1.670 0.000) 1.670 32.776 ( 0.000 -0.981 0.000) 0.981 32.776 ( 0.000 0.981 0.000) 0.981 33.055 ( 0.000 -10.609 0.000) 10.609 33.055 ( 0.000 10.609 0.000) 10.609 34.515 ( 0.000 -5.700 0.000) 5.700 34.515 ( 0.000 5.700 0.000) 5.700 ======================= Grid point 20 (12/63) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -0.817 -8.472 5.535) 10.153 1.063 ( -0.817 8.472 5.535) 10.153 1.424 ( 3.309 -9.920 -1.989) 10.645 1.424 ( 3.309 9.920 -1.989) 10.645 1.547 ( -0.800 -13.655 -1.407) 13.751 1.547 ( -0.800 13.655 -1.407) 13.751 1.783 ( 15.774 -12.689 6.974) 21.412 1.783 ( 15.774 12.689 6.974) 21.412 2.081 ( -1.466 -3.658 0.000) 3.941 2.081 ( -1.466 3.658 0.000) 3.941 2.215 ( -6.532 -8.794 -6.762) 12.873 2.215 ( -6.532 8.794 -6.762) 12.873 2.385 ( -1.490 -1.133 4.186) 4.586 2.385 ( -1.490 1.133 4.186) 4.586 2.438 ( 1.156 -3.838 2.005) 4.482 2.438 ( 1.156 3.838 2.005) 4.482 2.593 ( -2.759 -4.086 -2.715) 5.628 2.593 ( -2.759 4.086 -2.715) 5.628 2.664 ( 2.375 -5.236 2.103) 6.122 2.664 ( 2.375 5.236 2.103) 6.122 2.805 ( 0.526 -3.621 -0.906) 3.769 2.805 ( 0.526 3.621 -0.906) 3.769 2.869 ( 2.116 -5.092 2.323) 5.983 2.869 ( 2.116 5.092 2.323) 5.983 3.021 ( 1.888 -4.952 2.961) 6.071 3.021 ( 1.888 4.952 2.961) 6.071 3.141 ( 3.442 -12.024 7.356) 14.510 3.141 ( 3.442 12.024 7.356) 14.510 3.184 ( 2.213 -6.154 1.363) 6.680 3.184 ( 2.213 6.154 1.363) 6.680 3.318 ( -0.178 -2.562 -1.514) 2.981 3.318 ( -0.178 2.562 -1.514) 2.981 3.489 ( -5.749 -1.982 3.801) 7.171 3.489 ( -5.749 1.982 3.801) 7.171 3.595 ( -3.359 -10.866 -2.833) 11.721 3.595 ( -3.359 10.866 -2.833) 11.721 3.701 ( 1.053 -3.600 3.144) 4.894 3.701 ( 1.053 3.600 3.144) 4.894 3.812 ( 3.615 -4.419 2.531) 6.245 3.812 ( 3.615 4.419 2.531) 6.245 4.010 ( 2.756 -5.581 2.377) 6.663 4.010 ( 2.756 5.581 2.377) 6.663 4.090 ( -0.356 -2.341 -5.563) 6.046 4.090 ( -0.356 2.341 -5.563) 6.046 4.228 ( -8.675 -3.204 -6.330) 11.207 4.228 ( -8.675 3.204 -6.330) 11.207 4.434 ( -5.161 -6.420 -5.758) 10.050 4.434 ( -5.161 6.420 -5.758) 10.050 4.608 ( -0.133 -6.296 0.379) 6.309 4.608 ( -0.133 6.296 0.379) 6.309 4.774 ( -1.166 -8.370 1.358) 8.559 4.774 ( -1.166 8.370 1.358) 8.559 4.984 ( -1.050 -3.470 2.998) 4.704 4.984 ( -1.050 3.470 2.998) 4.704 5.050 ( 2.683 -4.593 -3.206) 6.211 5.050 ( 2.683 4.593 -3.206) 6.211 5.166 ( -3.310 -6.321 -9.240) 11.674 5.166 ( -3.310 6.321 -9.240) 11.674 5.285 ( -2.518 -7.580 -1.020) 8.052 5.285 ( -2.518 7.580 -1.020) 8.052 5.397 ( 0.230 -0.688 -4.240) 4.301 5.397 ( 0.230 0.688 -4.240) 4.301 5.726 ( 1.035 -9.646 2.679) 10.065 5.726 ( 1.035 9.646 2.679) 10.065 5.937 ( -1.698 -3.351 -1.276) 3.967 5.937 ( -1.698 3.351 -1.276) 3.967 5.991 ( 0.192 -5.012 3.008) 5.849 5.991 ( 0.192 5.012 3.008) 5.849 6.123 ( 6.280 -2.869 -1.604) 7.088 6.123 ( 6.280 2.869 -1.604) 7.088 6.495 ( -3.290 -7.490 3.456) 8.881 6.495 ( -3.290 7.490 3.456) 8.881 6.726 ( 3.456 -3.940 -7.541) 9.183 6.726 ( 3.456 3.940 -7.541) 9.183 7.096 ( 5.181 -1.294 10.037) 11.369 7.096 ( 5.181 1.294 10.037) 11.369 7.239 ( -8.549 -3.484 -2.835) 9.657 7.239 ( -8.549 3.484 -2.835) 9.657 7.598 ( 7.344 -2.742 -3.345) 8.523 7.598 ( 7.344 2.742 -3.345) 8.523 7.687 ( -7.332 -1.487 -2.630) 7.930 7.687 ( -7.332 1.487 -2.630) 7.930 7.763 ( 2.001 -6.255 7.538) 9.997 7.763 ( 2.001 6.255 7.538) 9.997 8.165 ( -2.012 -8.391 0.648) 8.653 8.165 ( -2.012 8.391 0.648) 8.653 8.349 ( 3.729 -4.722 -2.256) 6.426 8.349 ( 3.729 4.722 -2.256) 6.426 8.747 ( 2.961 -1.170 -1.182) 3.396 8.747 ( 2.961 1.170 -1.182) 3.396 9.047 ( 4.124 -8.535 5.648) 11.035 9.047 ( 4.124 8.535 5.648) 11.035 9.193 ( -5.473 -2.774 -0.097) 6.136 9.193 ( -5.473 2.774 -0.097) 6.136 9.479 ( 1.406 -2.186 -1.925) 3.234 9.479 ( 1.406 2.186 -1.925) 3.234 9.684 ( -1.961 -1.402 2.261) 3.305 9.684 ( -1.961 1.402 2.261) 3.305 9.886 ( 5.643 -8.521 2.941) 10.635 9.886 ( 5.643 8.521 2.941) 10.635 10.012 ( -2.389 -2.690 -0.629) 3.652 10.012 ( -2.389 2.690 -0.629) 3.652 10.141 ( 0.604 -2.628 -0.698) 2.786 10.141 ( 0.604 2.628 -0.698) 2.786 10.454 ( -4.938 -1.724 -5.895) 7.881 10.454 ( -4.938 1.724 -5.895) 7.881 10.575 ( -5.666 -3.138 -0.714) 6.517 10.575 ( -5.666 3.138 -0.714) 6.517 11.067 ( -5.290 -3.768 -0.716) 6.534 11.067 ( -5.290 3.768 -0.716) 6.534 11.311 ( 8.206 -3.876 0.427) 9.085 11.311 ( 8.206 3.876 0.427) 9.085 11.651 ( -1.196 -3.123 -2.804) 4.364 11.651 ( -1.196 3.123 -2.804) 4.364 11.740 ( 2.496 -6.960 -1.100) 7.475 11.740 ( 2.496 6.960 -1.100) 7.475 11.962 ( 0.870 -1.749 0.425) 2.000 11.962 ( 0.870 1.749 0.425) 2.000 12.166 ( -4.289 -1.481 -0.336) 4.550 12.166 ( -4.289 1.481 -0.336) 4.550 12.561 ( 5.298 -3.355 2.977) 6.942 12.561 ( 5.298 3.355 2.977) 6.942 12.809 ( -14.918 -5.644 -0.208) 15.951 12.809 ( -14.918 5.644 -0.208) 15.951 13.034 ( -1.175 -3.307 -4.906) 6.032 13.034 ( -1.175 3.307 -4.906) 6.032 13.282 ( 2.152 -0.763 -2.285) 3.230 13.282 ( 2.152 0.763 -2.285) 3.230 13.414 ( 1.205 -7.865 4.976) 9.385 13.414 ( 1.205 7.865 4.976) 9.385 13.681 ( 10.706 -6.602 5.352) 13.670 13.681 ( 10.706 6.602 5.352) 13.670 14.359 ( -3.288 -3.019 -2.781) 5.259 14.359 ( -3.288 3.019 -2.781) 5.259 14.420 ( -1.382 -4.443 -4.728) 6.634 14.420 ( -1.382 4.443 -4.728) 6.634 14.510 ( -0.371 -2.288 0.343) 2.343 14.510 ( -0.371 2.288 0.343) 2.343 14.704 ( 0.620 -3.936 3.483) 5.292 14.704 ( 0.620 3.936 3.483) 5.292 15.005 ( 15.127 -4.131 8.152) 17.674 15.005 ( 15.127 4.131 8.152) 17.674 15.433 ( 1.887 -2.401 1.842) 3.566 15.433 ( 1.887 2.401 1.842) 3.566 15.645 ( -3.813 -4.406 -2.485) 6.335 15.645 ( -3.813 4.406 -2.485) 6.335 16.980 ( -9.183 -3.674 0.336) 9.896 16.980 ( -9.183 3.674 0.336) 9.896 17.438 ( 6.531 -2.635 -0.966) 7.108 17.438 ( 6.531 2.635 -0.966) 7.108 18.413 ( -3.169 -9.332 -0.660) 9.877 18.413 ( -3.169 9.332 -0.660) 9.877 19.158 ( 6.163 -4.299 1.834) 7.735 19.158 ( 6.163 4.299 1.834) 7.735 19.692 ( 5.074 -3.111 0.385) 5.964 19.692 ( 5.074 3.111 0.385) 5.964 20.643 ( -0.493 -12.988 -7.340) 14.927 20.643 ( -0.493 12.988 -7.340) 14.927 21.288 ( 4.748 -2.507 6.145) 8.160 21.288 ( 4.748 2.507 6.145) 8.160 21.865 ( -5.962 -3.603 0.012) 6.967 21.865 ( -5.962 3.603 0.012) 6.967 22.085 ( 0.802 -2.483 0.080) 2.611 22.085 ( 0.802 2.483 0.080) 2.611 22.362 ( -5.427 -2.335 0.767) 5.957 22.362 ( -5.427 2.335 0.767) 5.957 22.487 ( -1.961 -3.384 0.485) 3.941 22.487 ( -1.961 3.384 0.485) 3.941 27.748 ( 0.982 -9.209 2.760) 9.664 27.748 ( 0.982 9.209 2.760) 9.664 28.140 ( -2.615 -7.419 0.032) 7.866 28.140 ( -2.615 7.419 0.032) 7.866 28.655 ( -1.947 -1.887 -2.166) 3.470 28.655 ( -1.947 1.887 -2.166) 3.470 28.740 ( -4.040 -1.995 0.724) 4.564 28.740 ( -4.040 1.995 0.724) 4.564 28.895 ( 6.506 -4.365 -0.663) 7.863 28.895 ( 6.506 4.365 -0.663) 7.863 29.085 ( -1.523 -7.091 -8.192) 10.941 29.085 ( -1.523 7.091 -8.192) 10.941 29.447 ( -1.360 -2.782 -3.936) 5.008 29.447 ( -1.360 2.782 -3.936) 5.008 29.750 ( 3.149 -3.195 7.564) 8.794 29.750 ( 3.149 3.195 7.564) 8.794 29.859 ( -3.945 -1.001 -0.141) 4.073 29.859 ( -3.945 1.001 -0.141) 4.073 30.036 ( 10.933 -1.659 0.579) 11.073 30.036 ( 10.933 1.659 0.579) 11.073 30.287 ( -2.995 -0.885 0.317) 3.139 30.287 ( -2.995 0.885 0.317) 3.139 30.727 ( -6.137 -14.402 2.551) 15.861 30.727 ( -6.137 14.402 2.551) 15.861 31.024 ( -2.375 -8.182 -1.332) 8.624 31.024 ( -2.375 8.182 -1.332) 8.624 31.311 ( 0.117 -1.353 2.615) 2.947 31.311 ( 0.117 1.353 2.615) 2.947 31.488 ( 5.193 -2.333 3.553) 6.710 31.488 ( 5.193 2.333 3.553) 6.710 31.655 ( -1.889 -0.633 0.214) 2.003 31.655 ( -1.889 0.633 0.214) 2.003 31.873 ( -0.211 -3.635 1.060) 3.792 31.873 ( -0.211 3.635 1.060) 3.792 32.376 ( 1.306 -1.086 -10.133) 10.274 32.376 ( 1.306 1.086 -10.133) 10.274 32.763 ( -5.191 -4.639 4.418) 8.246 32.763 ( -5.191 4.639 4.418) 8.246 33.106 ( 5.946 -11.116 -0.064) 12.606 33.106 ( 5.946 11.116 -0.064) 12.606 34.487 ( -0.817 -6.317 -2.573) 6.869 34.487 ( -0.817 6.317 -2.573) 6.869 ======================= Grid point 22 (13/63) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 1.779 -5.361 1.985) 5.987 1.121 ( 1.779 5.361 1.985) 5.987 1.403 ( -0.350 -5.913 -5.021) 7.765 1.403 ( -0.350 5.913 -5.021) 7.765 1.655 ( 7.934 -4.997 9.530) 13.370 1.655 ( 7.934 4.997 9.530) 13.370 1.935 ( -4.524 -7.463 -1.604) 8.873 1.935 ( -4.524 7.463 -1.604) 8.873 2.010 ( -5.170 -4.770 -2.429) 7.442 2.010 ( -5.170 4.770 -2.429) 7.442 2.193 ( 8.187 -3.116 5.307) 10.242 2.193 ( 8.187 3.116 5.307) 10.242 2.424 ( 2.113 -7.707 -1.249) 8.088 2.424 ( 2.113 7.707 -1.249) 8.088 2.449 ( -1.400 -1.851 3.053) 3.835 2.449 ( -1.400 1.851 3.053) 3.835 2.568 ( -0.788 -1.342 3.294) 3.643 2.568 ( -0.788 1.342 3.294) 3.643 2.740 ( 3.924 -5.200 0.731) 6.555 2.740 ( 3.924 5.200 0.731) 6.555 2.782 ( -2.705 -2.757 2.698) 4.712 2.782 ( -2.705 2.757 2.698) 4.712 2.918 ( 1.592 -1.309 -0.253) 2.076 2.918 ( 1.592 1.309 -0.253) 2.076 3.106 ( 2.011 -1.396 3.108) 3.957 3.106 ( 2.011 1.396 3.108) 3.957 3.182 ( -5.029 -6.233 -1.433) 8.136 3.182 ( -5.029 6.233 -1.433) 8.136 3.263 ( 0.158 -4.675 2.012) 5.092 3.263 ( 0.158 4.675 2.012) 5.092 3.332 ( 7.274 -7.367 4.587) 11.323 3.332 ( 7.274 7.367 4.587) 11.323 3.405 ( -5.964 -14.060 -3.347) 15.635 3.405 ( -5.964 14.060 -3.347) 15.635 3.527 ( 0.298 -1.271 -4.352) 4.543 3.527 ( 0.298 1.271 -4.352) 4.543 3.723 ( 0.845 -3.419 -2.646) 4.405 3.723 ( 0.845 3.419 -2.646) 4.405 3.852 ( 1.871 -2.087 2.070) 3.485 3.852 ( 1.871 2.087 2.070) 3.485 3.945 ( -7.999 -1.064 -4.745) 9.361 3.945 ( -7.999 1.064 -4.745) 9.361 4.103 ( 3.779 -4.789 1.292) 6.236 4.103 ( 3.779 4.789 1.292) 6.236 4.195 ( 3.007 -12.358 6.399) 14.238 4.195 ( 3.007 12.358 6.399) 14.238 4.393 ( -1.119 -5.818 1.553) 6.125 4.393 ( -1.119 5.818 1.553) 6.125 4.610 ( 2.266 -3.623 -4.474) 6.187 4.610 ( 2.266 3.623 -4.474) 6.187 4.688 ( -8.254 -11.896 -1.921) 14.607 4.688 ( -8.254 11.896 -1.921) 14.607 4.852 ( -7.057 -3.948 -7.952) 11.341 4.852 ( -7.057 3.948 -7.952) 11.341 4.975 ( -3.382 -4.163 -4.192) 6.807 4.975 ( -3.382 4.163 -4.192) 6.807 5.039 ( 1.469 -1.533 -1.655) 2.692 5.039 ( 1.469 1.533 -1.655) 2.692 5.360 ( -0.334 -6.034 2.734) 6.633 5.360 ( -0.334 6.034 2.734) 6.633 5.394 ( 4.538 -4.432 0.706) 6.382 5.394 ( 4.538 4.432 0.706) 6.382 5.758 ( -0.804 -6.259 1.389) 6.462 5.758 ( -0.804 6.259 1.389) 6.462 5.855 ( -3.610 -3.081 -3.927) 6.160 5.855 ( -3.610 3.081 -3.927) 6.160 5.996 ( 1.022 -1.203 -0.940) 1.837 5.996 ( 1.022 1.203 -0.940) 1.837 6.159 ( 3.072 -4.760 -1.484) 5.856 6.159 ( 3.072 4.760 -1.484) 5.856 6.551 ( -0.933 -0.650 -6.953) 7.045 6.551 ( -0.933 0.650 -6.953) 7.045 6.783 ( 6.806 -3.981 10.482) 13.116 6.783 ( 6.806 3.981 10.482) 13.116 7.020 ( -3.911 -6.946 0.037) 7.971 7.020 ( -3.911 6.946 0.037) 7.971 7.250 ( -5.502 -6.823 -6.661) 11.009 7.250 ( -5.502 6.823 -6.661) 11.009 7.533 ( -1.437 -5.814 3.795) 7.090 7.533 ( -1.437 5.814 3.795) 7.090 7.658 ( 4.249 -3.216 0.027) 5.329 7.658 ( 4.249 3.216 0.027) 5.329 7.956 ( 3.128 -6.316 3.857) 8.034 7.956 ( 3.128 6.316 3.857) 8.034 8.171 ( 8.234 -5.945 3.066) 10.609 8.171 ( 8.234 5.945 3.066) 10.609 8.375 ( -1.897 -6.123 1.042) 6.494 8.375 ( -1.897 6.123 1.042) 6.494 8.758 ( 0.567 -3.886 -0.964) 4.043 8.758 ( 0.567 3.886 -0.964) 4.043 9.068 ( -6.269 -1.426 0.112) 6.430 9.068 ( -6.269 1.426 0.112) 6.430 9.239 ( 6.915 -5.698 4.124) 9.864 9.239 ( 6.915 5.698 4.124) 9.864 9.473 ( 1.341 -8.098 -3.736) 9.019 9.473 ( 1.341 8.098 -3.736) 9.019 9.698 ( -1.115 -2.857 6.461) 7.152 9.698 ( -1.115 2.857 6.461) 7.152 9.957 ( 1.094 -4.794 -1.686) 5.199 9.957 ( 1.094 4.794 -1.686) 5.199 10.008 ( 0.283 -1.404 -0.031) 1.432 10.008 ( 0.283 1.404 -0.031) 1.432 10.138 ( 0.375 -4.593 1.686) 4.907 10.138 ( 0.375 4.593 1.686) 4.907 10.279 ( -6.984 -3.493 -6.468) 10.140 10.279 ( -6.984 3.493 -6.468) 10.140 10.434 ( -8.024 -1.736 -4.172) 9.209 10.434 ( -8.024 1.736 -4.172) 9.209 11.029 ( 0.092 -1.880 0.483) 1.944 11.029 ( 0.092 1.880 0.483) 1.944 11.421 ( 2.326 -0.851 1.021) 2.679 11.421 ( 2.326 0.851 1.021) 2.679 11.626 ( 2.402 -1.686 -0.824) 3.048 11.626 ( 2.402 1.686 -0.824) 3.048 11.751 ( 3.634 -8.092 -3.931) 9.703 11.751 ( 3.634 8.092 -3.931) 9.703 11.919 ( -2.160 -6.686 -0.976) 7.094 11.919 ( -2.160 6.686 -0.976) 7.094 12.182 ( 0.310 -1.201 -0.706) 1.427 12.182 ( 0.310 1.201 -0.706) 1.427 12.517 ( -10.248 -1.867 -0.397) 10.424 12.517 ( -10.248 1.867 -0.397) 10.424 12.761 ( 1.863 -2.074 8.252) 8.711 12.761 ( 1.863 2.074 8.252) 8.711 12.941 ( -1.654 -2.501 -4.951) 5.788 12.941 ( -1.654 2.501 -4.951) 5.788 13.312 ( 2.486 -1.938 0.161) 3.156 13.312 ( 2.486 1.938 0.161) 3.156 13.508 ( 2.174 -6.505 5.962) 9.088 13.508 ( 2.174 6.505 5.962) 9.088 13.860 ( 6.465 -5.713 2.604) 9.012 13.860 ( 6.465 5.713 2.604) 9.012 14.251 ( -5.140 -6.571 -4.223) 9.351 14.251 ( -5.140 6.571 -4.223) 9.351 14.346 ( -0.588 -2.470 -4.641) 5.290 14.346 ( -0.588 2.470 -4.641) 5.290 14.519 ( -0.216 -1.401 0.728) 1.594 14.519 ( -0.216 1.401 0.728) 1.594 14.747 ( 2.579 -1.415 0.111) 2.943 14.747 ( 2.579 1.415 0.111) 2.943 15.257 ( 4.421 -4.045 1.844) 6.269 15.257 ( 4.421 4.045 1.844) 6.269 15.524 ( 6.246 -3.058 6.322) 9.399 15.524 ( 6.246 3.058 6.322) 9.399 15.584 ( 0.744 -2.997 -1.506) 3.436 15.584 ( 0.744 2.997 -1.506) 3.436 16.843 ( -9.365 -3.296 1.073) 9.986 16.843 ( -9.365 3.296 1.073) 9.986 17.526 ( 6.298 -2.578 -0.853) 6.859 17.526 ( 6.298 2.578 -0.853) 6.859 18.357 ( -4.326 -3.462 1.424) 5.720 18.357 ( -4.326 3.462 1.424) 5.720 19.269 ( 7.069 -0.973 -2.121) 7.444 19.269 ( 7.069 0.973 -2.121) 7.444 19.778 ( 5.682 -4.763 0.483) 7.430 19.778 ( 5.682 4.763 0.483) 7.430 20.597 ( 3.949 -7.910 -3.201) 9.402 20.597 ( 3.949 7.910 -3.201) 9.402 21.387 ( 1.001 -3.166 -0.874) 3.434 21.387 ( 1.001 3.166 -0.874) 3.434 21.803 ( -3.690 -2.326 4.816) 6.498 21.803 ( -3.690 2.326 4.816) 6.498 22.039 ( -4.671 -0.877 -3.490) 5.896 22.039 ( -4.671 0.877 -3.490) 5.896 22.304 ( -4.237 -3.867 2.840) 6.401 22.304 ( -4.237 3.867 2.840) 6.401 22.453 ( -2.950 -2.725 0.236) 4.024 22.453 ( -2.950 2.725 0.236) 4.024 27.808 ( 1.147 -4.790 4.132) 6.429 27.808 ( 1.147 4.790 4.132) 6.429 28.103 ( -2.609 -3.964 1.150) 4.883 28.103 ( -2.609 3.964 1.150) 4.883 28.594 ( -1.390 -3.501 -3.368) 5.053 28.594 ( -1.390 3.501 -3.368) 5.053 28.681 ( -4.420 -2.485 -1.276) 5.228 28.681 ( -4.420 2.485 -1.276) 5.228 28.912 ( 2.456 -2.207 -8.744) 9.347 28.912 ( 2.456 2.207 -8.744) 9.347 29.053 ( 4.427 -2.693 1.869) 5.508 29.053 ( 4.427 2.693 1.869) 5.508 29.417 ( -0.266 -1.997 0.244) 2.029 29.417 ( -0.266 1.997 0.244) 2.029 29.764 ( -4.032 -1.264 -5.043) 6.579 29.764 ( -4.032 1.264 -5.043) 6.579 29.859 ( 2.164 -3.781 4.391) 6.186 29.859 ( 2.164 3.781 4.391) 6.186 30.184 ( 3.839 -0.571 0.128) 3.883 30.184 ( 3.839 0.571 0.128) 3.883 30.264 ( 0.230 -1.381 1.163) 1.820 30.264 ( 0.230 1.381 1.163) 1.820 30.695 ( -2.348 -12.940 4.983) 14.064 30.695 ( -2.348 12.940 4.983) 14.064 31.010 ( -0.393 -8.036 2.028) 8.298 31.010 ( -0.393 8.036 2.028) 8.298 31.325 ( 0.535 -2.493 -0.716) 2.648 31.325 ( 0.535 2.493 -0.716) 2.648 31.602 ( 1.990 -3.441 6.218) 7.380 31.602 ( 1.990 3.441 6.218) 7.380 31.645 ( -0.729 -0.940 2.168) 2.473 31.645 ( -0.729 0.940 2.168) 2.473 31.853 ( -3.357 -4.835 -0.479) 5.906 31.853 ( -3.357 4.835 -0.479) 5.906 32.259 ( 2.035 -2.038 -13.447) 13.752 32.259 ( 2.035 2.038 -13.447) 13.752 32.734 ( -4.323 -6.623 2.824) 8.398 32.734 ( -4.323 6.623 2.824) 8.398 33.197 ( 4.664 -9.893 1.161) 10.999 33.197 ( 4.664 9.893 1.161) 10.999 34.462 ( 1.039 -5.189 -1.327) 5.456 34.462 ( 1.039 5.189 -1.327) 5.456 ======================= Grid point 24 (14/63) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -4.494 -6.216 3.328) 8.361 1.148 ( -4.494 6.216 3.328) 8.361 1.395 ( 4.857 -7.910 -0.594) 9.301 1.395 ( 4.857 7.910 -0.594) 9.301 1.682 ( -5.517 -11.415 -3.110) 13.054 1.682 ( -5.517 11.415 -3.110) 13.054 1.879 ( 3.443 -7.757 0.916) 8.536 1.879 ( 3.443 7.757 0.916) 8.536 2.102 ( 3.158 -7.678 7.509) 11.194 2.102 ( 3.158 7.678 7.509) 11.194 2.310 ( -1.522 -5.039 2.309) 5.748 2.310 ( -1.522 5.039 2.309) 5.748 2.406 ( 1.623 -5.973 -2.516) 6.681 2.406 ( 1.623 5.973 -2.516) 6.681 2.482 ( -0.586 -1.178 2.668) 2.975 2.482 ( -0.586 1.178 2.668) 2.975 2.593 ( -1.036 -0.481 7.028) 7.120 2.593 ( -1.036 0.481 7.028) 7.120 2.735 ( 1.600 -4.385 -3.901) 6.083 2.735 ( 1.600 4.385 -3.901) 6.083 2.851 ( 4.013 -1.063 1.834) 4.539 2.851 ( 4.013 1.063 1.834) 4.539 2.897 ( -2.492 -1.612 -1.939) 3.545 2.897 ( -2.492 1.612 -1.939) 3.545 3.038 ( -2.898 -3.637 -1.284) 4.825 3.038 ( -2.898 3.637 -1.284) 4.825 3.177 ( -4.684 -3.993 -0.052) 6.155 3.177 ( -4.684 3.993 -0.052) 6.155 3.257 ( 1.718 -4.219 -0.500) 4.583 3.257 ( 1.718 4.219 -0.500) 4.583 3.349 ( 0.385 -9.628 -1.740) 9.791 3.349 ( 0.385 9.628 -1.740) 9.791 3.438 ( 0.847 -5.517 -6.616) 8.656 3.438 ( 0.847 5.517 -6.616) 8.656 3.466 ( -0.863 -5.949 0.130) 6.012 3.466 ( -0.863 5.949 0.130) 6.012 3.699 ( -2.956 -1.604 -3.901) 5.151 3.699 ( -2.956 1.604 -3.901) 5.151 3.776 ( 4.791 -3.596 0.719) 6.033 3.776 ( 4.791 3.596 0.719) 6.033 3.969 ( 2.197 -2.108 4.179) 5.171 3.969 ( 2.197 2.108 4.179) 5.171 4.182 ( 4.736 -6.301 -1.793) 8.083 4.182 ( 4.736 6.301 -1.793) 8.083 4.323 ( -3.128 -4.693 2.194) 6.051 4.323 ( -3.129 4.693 2.194) 6.052 4.337 ( 0.390 -12.231 1.995) 12.399 4.337 ( 0.390 12.231 1.995) 12.399 4.493 ( -1.581 -7.986 -3.813) 8.990 4.493 ( -1.581 7.986 -3.813) 8.990 4.652 ( -4.863 -0.151 -0.486) 4.890 4.652 ( -4.863 0.151 -0.486) 4.890 4.770 ( 1.302 -6.137 1.226) 6.392 4.770 ( 1.302 6.137 1.226) 6.392 4.892 ( -4.657 -3.717 1.195) 6.077 4.892 ( -4.657 3.717 1.195) 6.077 5.058 ( 2.363 -2.928 -1.192) 3.946 5.058 ( 2.363 2.928 -1.192) 3.946 5.325 ( -0.790 -4.611 -3.652) 5.935 5.325 ( -0.790 4.611 -3.652) 5.935 5.502 ( 0.490 -1.334 7.432) 7.566 5.502 ( 0.490 1.334 7.432) 7.566 5.722 ( -1.919 -4.125 -2.058) 4.994 5.722 ( -1.919 4.125 -2.058) 4.994 5.811 ( 2.200 -3.741 -0.482) 4.367 5.811 ( 2.200 3.741 -0.482) 4.367 6.009 ( 3.189 -5.787 -2.762) 7.161 6.009 ( 3.189 5.787 -2.762) 7.161 6.174 ( -3.799 -3.654 1.827) 5.579 6.174 ( -3.799 3.654 1.827) 5.579 6.463 ( 2.589 -2.862 -3.075) 4.934 6.463 ( 2.589 2.862 -3.075) 4.934 6.784 ( -5.899 -2.254 -13.766) 15.145 6.784 ( -5.899 2.254 -13.766) 15.145 7.010 ( -1.421 -5.949 7.512) 9.687 7.010 ( -1.421 5.949 7.512) 9.687 7.191 ( 0.513 -0.672 1.196) 1.464 7.191 ( 0.513 0.672 1.196) 1.464 7.611 ( -3.202 -7.435 2.405) 8.445 7.611 ( -3.202 7.435 2.405) 8.445 7.746 ( 11.351 -7.606 6.143) 14.981 7.746 ( 11.351 7.606 6.143) 14.981 7.985 ( 3.406 -5.082 -1.005) 6.200 7.985 ( 3.406 5.082 -1.005) 6.200 8.318 ( -4.330 -4.669 1.269) 6.493 8.318 ( -4.330 4.669 1.269) 6.493 8.447 ( 10.502 -6.840 8.650) 15.229 8.447 ( 10.502 6.840 8.651) 15.229 8.716 ( -0.929 -2.024 -6.173) 6.563 8.716 ( -0.929 2.024 -6.173) 6.563 8.927 ( -10.964 -5.029 -2.472) 12.313 8.927 ( -10.964 5.029 -2.472) 12.313 9.326 ( 4.481 -2.447 -3.492) 6.185 9.326 ( 4.481 2.447 -3.492) 6.185 9.520 ( 4.777 -5.020 5.011) 8.552 9.520 ( 4.777 5.020 5.011) 8.552 9.788 ( -1.271 -5.711 8.954) 10.697 9.788 ( -1.271 5.711 8.954) 10.697 9.915 ( 0.036 -4.680 -3.854) 6.063 9.915 ( 0.036 4.680 -3.854) 6.063 9.959 ( -3.412 -2.873 -2.938) 5.341 9.959 ( -3.412 2.873 -2.938) 5.341 10.107 ( -3.817 -2.770 -5.797) 7.473 10.107 ( -3.817 2.770 -5.797) 7.473 10.205 ( -1.936 -5.439 4.274) 7.183 10.205 ( -1.936 5.439 4.274) 7.183 10.306 ( -0.396 -3.646 -3.770) 5.259 10.306 ( -0.396 3.646 -3.770) 5.259 11.059 ( 2.029 -4.969 0.725) 5.416 11.059 ( 2.029 4.969 0.725) 5.416 11.410 ( -2.118 -3.748 0.483) 4.332 11.410 ( -2.118 3.748 0.483) 4.332 11.648 ( 0.300 -6.493 -1.170) 6.604 11.648 ( 0.300 6.493 -1.170) 6.604 11.759 ( 0.656 -5.662 -1.696) 5.947 11.759 ( 0.656 5.662 -1.696) 5.947 11.911 ( 0.530 -3.661 -3.044) 4.790 11.911 ( 0.530 3.661 -3.044) 4.790 12.108 ( -0.167 -2.424 -2.113) 3.220 12.108 ( -0.167 2.424 -2.113) 3.220 12.467 ( -1.822 -4.748 3.559) 6.207 12.467 ( -1.822 4.748 3.559) 6.207 12.794 ( -3.795 -10.156 -0.445) 10.851 12.794 ( -3.795 10.156 -0.445) 10.851 12.984 ( 5.543 -3.632 6.125) 9.024 12.984 ( 5.543 3.632 6.125) 9.024 13.323 ( -0.800 -3.230 -1.159) 3.524 13.323 ( -0.800 3.230 -1.159) 3.524 13.602 ( 1.474 -3.743 4.564) 6.084 13.602 ( 1.474 3.743 4.564) 6.084 13.942 ( 3.421 -3.837 -0.446) 5.160 13.942 ( 3.421 3.837 -0.446) 5.160 14.141 ( -3.363 -7.190 -2.089) 8.208 14.141 ( -3.363 7.190 -2.089) 8.208 14.292 ( -0.478 -0.691 -3.406) 3.508 14.292 ( -0.478 0.691 -3.406) 3.508 14.500 ( -1.483 -3.141 -1.566) 3.810 14.500 ( -1.483 3.141 -1.566) 3.810 14.794 ( 2.669 -3.020 1.138) 4.188 14.794 ( 2.669 3.020 1.138) 4.188 15.227 ( -2.656 -3.316 -2.821) 5.100 15.227 ( -2.656 3.316 -2.821) 5.100 15.591 ( 1.326 -0.998 0.274) 1.682 15.591 ( 1.326 0.998 0.274) 1.682 15.731 ( 7.519 -3.572 4.643) 9.532 15.731 ( 7.519 3.572 4.643) 9.532 16.746 ( -5.537 -3.412 1.469) 6.668 16.746 ( -5.537 3.412 1.469) 6.668 17.594 ( 3.883 -6.133 -0.650) 7.288 17.594 ( 3.883 6.133 -0.650) 7.288 18.333 ( -2.590 -6.348 3.052) 7.505 18.333 ( -2.590 6.348 3.052) 7.505 19.284 ( 1.763 -3.238 -5.426) 6.560 19.284 ( 1.763 3.238 -5.426) 6.560 19.880 ( 5.772 -7.369 1.696) 9.513 19.880 ( 5.772 7.369 1.696) 9.513 20.670 ( 6.259 -5.771 0.457) 8.526 20.670 ( 6.259 5.771 0.457) 8.526 21.308 ( -4.033 -4.490 -4.032) 7.259 21.308 ( -4.033 4.490 -4.032) 7.259 21.780 ( -7.751 -3.116 -0.813) 8.393 21.780 ( -7.751 3.116 -0.813) 8.393 21.992 ( 2.997 -2.126 3.189) 4.865 21.992 ( 2.997 2.126 3.189) 4.865 22.282 ( -2.789 -2.939 0.694) 4.111 22.282 ( -2.789 2.939 0.694) 4.111 22.415 ( -2.164 -1.675 0.263) 2.749 22.415 ( -2.164 1.675 0.263) 2.749 27.859 ( 0.091 -3.397 2.465) 4.198 27.859 ( 0.091 3.397 2.465) 4.198 28.107 ( -0.240 -3.913 3.124) 5.013 28.107 ( -0.240 3.913 3.124) 5.013 28.531 ( -0.915 -4.524 -5.093) 6.873 28.531 ( -0.915 4.524 -5.093) 6.873 28.593 ( -3.409 -1.881 -1.493) 4.170 28.593 ( -3.409 1.881 -1.493) 4.170 28.860 ( 1.362 -1.438 -4.303) 4.737 28.860 ( 1.362 1.438 -4.303) 4.737 29.169 ( 4.955 -5.438 4.353) 8.549 29.169 ( 4.955 5.438 4.353) 8.549 29.428 ( 0.284 -4.702 0.847) 4.786 29.428 ( 0.284 4.702 0.847) 4.786 29.630 ( -4.089 -1.837 -6.281) 7.716 29.630 ( -4.089 1.837 -6.281) 7.716 29.932 ( 2.141 -6.711 2.392) 7.439 29.932 ( 2.141 6.711 2.392) 7.439 30.186 ( -0.977 -1.352 0.290) 1.693 30.186 ( -0.977 1.352 0.290) 1.693 30.256 ( -2.582 -4.584 -0.945) 5.345 30.256 ( -2.582 4.584 -0.945) 5.345 30.769 ( 3.441 -5.023 3.030) 6.801 30.769 ( 3.441 5.023 3.030) 6.801 31.059 ( 1.387 -4.932 4.697) 6.950 31.059 ( 1.387 4.932 4.697) 6.950 31.313 ( 0.228 -2.101 -1.964) 2.885 31.313 ( 0.228 2.101 -1.964) 2.885 31.667 ( 1.476 -2.840 0.483) 3.237 31.667 ( 1.476 2.840 0.483) 3.237 31.704 ( -2.689 -7.903 8.822) 12.146 31.704 ( -2.689 7.903 8.822) 12.146 31.782 ( -2.234 -4.515 -0.841) 5.107 31.782 ( -2.234 4.515 -0.841) 5.107 32.126 ( 1.239 -3.555 -12.640) 13.189 32.126 ( 1.239 3.555 -12.640) 13.189 32.707 ( -2.215 -7.391 1.074) 7.791 32.707 ( -2.215 7.391 1.074) 7.791 33.260 ( 1.953 -5.926 1.107) 6.337 33.260 ( 1.953 5.926 1.107) 6.337 34.482 ( 1.853 -4.015 0.274) 4.431 34.482 ( 1.853 4.015 0.274) 4.431 ======================= Grid point 26 (15/63) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 -12.735 0.000) 12.735 1.105 ( 0.000 12.735 0.000) 12.735 1.443 ( 0.000 -4.346 0.000) 4.346 1.443 ( 0.000 4.346 -0.000) 4.346 1.661 ( 0.000 -1.519 -0.000) 1.519 1.661 ( 0.000 1.519 0.000) 1.519 1.926 ( -0.000 -5.496 -0.000) 5.496 1.926 ( 0.000 5.497 0.000) 5.497 2.104 ( 0.000 -11.717 0.000) 11.717 2.104 ( 0.000 11.717 0.000) 11.717 2.318 ( 0.000 -6.483 0.000) 6.483 2.318 ( 0.000 6.483 0.000) 6.483 2.393 ( 0.000 -4.177 0.000) 4.177 2.393 ( -0.000 4.177 0.000) 4.177 2.490 ( 0.000 -1.514 0.000) 1.514 2.490 ( 0.000 1.514 0.000) 1.514 2.675 ( 0.000 -2.210 -0.000) 2.210 2.675 ( 0.000 2.210 0.000) 2.210 2.738 ( -0.000 -2.119 -0.000) 2.119 2.738 ( 0.000 2.119 0.000) 2.119 2.851 ( 0.000 -3.224 0.000) 3.224 2.851 ( 0.000 3.224 0.000) 3.224 2.935 ( -0.000 -2.707 -0.000) 2.707 2.935 ( 0.000 2.707 0.000) 2.707 2.988 ( 0.000 -8.308 0.000) 8.308 2.988 ( -0.000 8.308 -0.000) 8.308 3.106 ( 0.000 -7.216 0.000) 7.216 3.106 ( 0.000 7.216 0.000) 7.216 3.277 ( -0.000 -0.674 0.000) 0.674 3.277 ( 0.000 0.674 -0.000) 0.674 3.295 ( -0.000 -5.920 0.000) 5.920 3.295 ( 0.000 5.920 -0.000) 5.920 3.344 ( 0.000 -2.681 0.000) 2.681 3.344 ( 0.000 2.681 0.000) 2.681 3.506 ( 0.000 -1.461 0.000) 1.461 3.506 ( 0.000 1.461 0.000) 1.461 3.662 ( 0.000 -16.116 0.000) 16.116 3.662 ( 0.000 16.116 -0.000) 16.116 3.879 ( 0.000 -12.331 0.000) 12.331 3.879 ( 0.000 12.331 0.000) 12.331 4.011 ( 0.000 -5.291 0.000) 5.291 4.011 ( 0.000 5.291 0.000) 5.291 4.166 ( 0.000 -9.262 -0.000) 9.262 4.166 ( 0.000 9.262 0.000) 9.262 4.288 ( 0.000 -2.162 -0.000) 2.162 4.288 ( 0.000 2.162 0.000) 2.162 4.356 ( -0.000 -7.774 0.000) 7.774 4.356 ( 0.000 7.774 0.000) 7.774 4.537 ( 0.000 -6.691 0.000) 6.691 4.537 ( -0.000 6.691 0.000) 6.691 4.563 ( 0.000 -1.823 0.000) 1.823 4.563 ( -0.000 1.823 -0.000) 1.823 4.779 ( -0.000 -12.261 0.000) 12.261 4.779 ( -0.000 12.261 0.000) 12.261 4.883 ( 0.000 -1.122 0.000) 1.122 4.883 ( 0.000 1.122 0.000) 1.122 5.067 ( 0.000 -3.584 0.000) 3.584 5.067 ( -0.000 3.584 0.000) 3.584 5.294 ( 0.000 -0.598 -0.000) 0.598 5.294 ( 0.000 0.598 0.000) 0.598 5.547 ( 0.000 -1.692 -0.000) 1.692 5.547 ( 0.000 1.692 0.000) 1.692 5.694 ( 0.000 -3.304 0.000) 3.304 5.694 ( 0.000 3.305 0.000) 3.305 5.855 ( 0.000 -6.121 0.000) 6.121 5.855 ( 0.000 6.121 0.000) 6.121 6.009 ( 0.000 -1.691 0.000) 1.691 6.009 ( 0.000 1.691 0.000) 1.691 6.140 ( 0.000 -7.873 0.000) 7.873 6.140 ( 0.000 7.873 0.000) 7.873 6.515 ( 0.000 -6.265 0.000) 6.265 6.515 ( -0.000 6.265 -0.000) 6.265 6.598 ( 0.000 -7.681 0.000) 7.681 6.598 ( -0.000 7.681 -0.000) 7.681 7.014 ( 0.000 -5.614 -0.000) 5.614 7.014 ( 0.000 5.614 0.000) 5.614 7.260 ( -0.000 -1.491 -0.000) 1.491 7.260 ( 0.000 1.491 0.000) 1.491 7.532 ( 0.000 -6.244 0.000) 6.244 7.532 ( 0.000 6.244 0.000) 6.244 7.968 ( 0.000 -7.784 -0.000) 7.784 7.968 ( -0.000 7.784 0.000) 7.784 8.014 ( 0.000 -12.558 0.000) 12.558 8.014 ( 0.000 12.558 0.000) 12.558 8.272 ( 0.000 -7.034 -0.000) 7.034 8.272 ( -0.000 7.034 0.000) 7.034 8.594 ( 0.000 -3.080 0.000) 3.080 8.594 ( 0.000 3.080 0.000) 3.080 8.657 ( 0.000 -5.830 0.000) 5.830 8.657 ( 0.000 5.830 -0.000) 5.830 8.783 ( 0.000 -6.110 0.000) 6.110 8.783 ( -0.000 6.110 0.000) 6.110 9.340 ( 0.000 -3.445 0.000) 3.445 9.340 ( 0.000 3.445 0.000) 3.445 9.612 ( -0.000 -0.642 -0.000) 0.642 9.612 ( -0.000 0.642 0.000) 0.642 9.836 ( 0.000 -1.446 -0.000) 1.446 9.836 ( 0.000 1.446 0.000) 1.446 9.867 ( -0.000 -3.333 0.000) 3.333 9.867 ( 0.000 3.333 -0.000) 3.333 9.940 ( 0.000 -5.310 -0.000) 5.310 9.940 ( -0.000 5.310 0.000) 5.310 10.010 ( 0.000 -6.559 0.000) 6.559 10.010 ( 0.000 6.559 0.000) 6.559 10.207 ( 0.000 -3.100 0.000) 3.100 10.207 ( 0.000 3.101 0.000) 3.101 10.305 ( 0.000 -1.040 0.000) 1.040 10.305 ( 0.000 1.040 0.000) 1.040 11.081 ( 0.000 -4.893 0.000) 4.893 11.081 ( 0.000 4.893 0.000) 4.893 11.402 ( 0.000 -2.612 0.000) 2.612 11.402 ( 0.000 2.612 0.000) 2.612 11.631 ( 0.000 -13.112 0.000) 13.112 11.631 ( 0.000 13.112 0.000) 13.112 11.739 ( 0.000 -0.165 -0.000) 0.165 11.739 ( 0.000 0.165 0.000) 0.165 11.872 ( 0.000 -2.843 0.000) 2.843 11.872 ( 0.000 2.843 0.000) 2.843 12.138 ( 0.000 -0.971 0.000) 0.971 12.138 ( 0.000 0.971 0.000) 0.971 12.477 ( 0.000 -0.519 -0.000) 0.519 12.477 ( -0.000 0.519 -0.000) 0.519 12.753 ( 0.000 -8.289 0.000) 8.289 12.753 ( 0.000 8.289 0.000) 8.289 13.093 ( 0.000 -0.153 0.000) 0.153 13.093 ( -0.000 0.153 0.000) 0.153 13.287 ( -0.000 -1.992 -0.000) 1.992 13.287 ( 0.000 1.992 0.000) 1.992 13.642 ( 0.000 -1.943 0.000) 1.943 13.642 ( 0.000 1.943 0.000) 1.943 13.960 ( 0.000 -3.242 0.000) 3.242 13.960 ( 0.000 3.242 0.000) 3.242 14.114 ( 0.000 -5.479 0.000) 5.479 14.114 ( 0.000 5.479 0.000) 5.479 14.260 ( 0.000 -2.808 0.000) 2.808 14.260 ( 0.000 2.808 0.000) 2.808 14.471 ( 0.000 -4.553 0.000) 4.553 14.471 ( 0.000 4.553 0.000) 4.553 14.828 ( 0.000 -3.859 0.000) 3.859 14.828 ( 0.000 3.859 0.000) 3.859 15.183 ( 0.000 -3.915 0.000) 3.915 15.183 ( 0.000 3.915 0.000) 3.915 15.604 ( 0.000 -1.750 0.000) 1.750 15.604 ( 0.000 1.750 0.000) 1.750 15.817 ( 0.000 -2.097 0.000) 2.097 15.817 ( 0.000 2.097 0.000) 2.097 16.714 ( 0.000 -3.828 0.000) 3.828 16.714 ( 0.000 3.828 0.000) 3.828 17.620 ( 0.000 -6.161 0.000) 6.161 17.620 ( 0.000 6.161 -0.000) 6.161 18.336 ( 0.000 -9.674 0.000) 9.674 18.336 ( 0.000 9.674 0.000) 9.674 19.253 ( 0.000 -3.839 0.000) 3.839 19.253 ( 0.000 3.839 0.000) 3.839 19.942 ( 0.000 -7.994 -0.000) 7.994 19.942 ( 0.000 7.994 0.000) 7.994 20.730 ( 0.000 -6.034 0.000) 6.034 20.730 ( 0.000 6.034 0.000) 6.034 21.249 ( 0.000 -4.279 0.000) 4.279 21.249 ( 0.000 4.279 0.000) 4.279 21.687 ( 0.000 -2.327 0.000) 2.327 21.687 ( 0.000 2.327 0.000) 2.327 22.066 ( 0.000 -0.302 0.000) 0.302 22.066 ( 0.000 0.302 0.000) 0.302 22.249 ( 0.000 -3.221 0.000) 3.221 22.249 ( 0.000 3.221 0.000) 3.221 22.401 ( 0.000 -0.965 -0.000) 0.965 22.401 ( 0.000 0.965 0.000) 0.965 27.872 ( 0.000 -7.001 0.000) 7.001 27.872 ( 0.000 7.001 0.000) 7.001 28.135 ( 0.000 -6.954 -0.000) 6.954 28.135 ( 0.000 6.954 0.000) 6.954 28.478 ( -0.000 -4.582 0.000) 4.582 28.478 ( 0.000 4.582 -0.000) 4.582 28.563 ( -0.000 -1.887 0.000) 1.887 28.563 ( 0.000 1.887 0.000) 1.887 28.846 ( 0.000 -1.996 0.000) 1.996 28.846 ( 0.000 1.996 0.000) 1.996 29.253 ( 0.000 -7.183 0.000) 7.183 29.253 ( -0.000 7.183 -0.000) 7.183 29.431 ( 0.000 -5.496 0.000) 5.496 29.431 ( 0.000 5.496 0.000) 5.496 29.547 ( 0.000 -1.678 0.000) 1.678 29.547 ( 0.000 1.678 0.000) 1.678 29.967 ( 0.000 -4.901 0.000) 4.901 29.967 ( 0.000 4.901 -0.000) 4.901 30.182 ( 0.000 -0.954 0.000) 0.954 30.182 ( 0.000 0.954 0.000) 0.954 30.217 ( 0.000 -3.453 0.000) 3.453 30.217 ( 0.000 3.453 0.000) 3.453 30.815 ( 0.000 -1.841 0.000) 1.841 30.815 ( -0.000 1.841 0.000) 1.841 31.114 ( 0.000 -1.914 0.000) 1.914 31.114 ( 0.000 1.914 0.000) 1.914 31.299 ( 0.000 -1.773 0.000) 1.773 31.299 ( 0.000 1.773 0.000) 1.773 31.676 ( 0.000 -0.073 0.000) 0.073 31.676 ( 0.000 0.073 0.000) 0.073 31.697 ( -0.000 -3.334 0.000) 3.334 31.697 ( 0.000 3.334 0.000) 3.334 31.818 ( 0.000 -3.220 -0.000) 3.220 31.818 ( 0.000 3.220 0.000) 3.220 32.038 ( 0.000 -5.633 0.000) 5.633 32.038 ( 0.000 5.633 0.000) 5.633 32.697 ( 0.000 -7.554 0.000) 7.554 32.697 ( 0.000 7.554 0.000) 7.554 33.281 ( 0.000 -1.707 -0.000) 1.707 33.281 ( 0.000 1.707 0.000) 1.707 34.501 ( 0.000 -4.642 0.000) 4.642 34.501 ( 0.000 4.642 0.000) 4.642 ======================= Grid point 45 (16/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( -8.336 0.000 13.638) 15.984 0.580 ( -1.753 0.000 19.856) 19.933 0.884 ( 3.377 0.000 15.512) 15.875 1.085 ( 9.294 0.000 43.278) 44.265 1.309 ( -6.430 0.000 -1.625) 6.632 1.333 ( 1.331 0.000 16.944) 16.996 1.549 ( -0.827 0.000 -6.197) 6.252 1.721 ( -10.510 0.000 -7.649) 12.999 1.929 ( 15.056 0.000 -1.301) 15.112 1.994 ( -8.168 0.000 2.209) 8.461 2.027 ( 3.868 0.000 7.547) 8.481 2.228 ( 4.272 0.000 22.100) 22.509 2.340 ( -3.716 0.000 0.524) 3.752 2.355 ( -2.866 0.000 -8.098) 8.590 2.403 ( -0.723 0.000 3.082) 3.165 2.473 ( 0.311 0.000 -0.625) 0.698 2.475 ( 2.311 0.000 -5.505) 5.971 2.556 ( -0.723 0.000 -3.729) 3.798 2.595 ( 10.750 0.000 0.780) 10.778 2.635 ( -3.171 0.000 0.837) 3.279 2.698 ( -4.955 0.000 -0.939) 5.043 2.707 ( -0.173 0.000 -0.163) 0.237 2.811 ( 5.525 0.000 -3.650) 6.622 2.835 ( -3.461 0.000 -2.858) 4.489 2.988 ( 5.802 0.000 -1.135) 5.912 2.989 ( -3.433 0.000 2.618) 4.317 3.114 ( 8.901 0.000 0.910) 8.947 3.165 ( -4.676 0.000 1.090) 4.802 3.171 ( 0.172 0.000 -1.878) 1.886 3.180 ( -2.153 0.000 0.174) 2.160 3.301 ( -4.993 0.000 4.483) 6.710 3.427 ( 5.330 0.000 -2.491) 5.883 3.437 ( 1.134 0.000 -0.332) 1.182 3.518 ( -6.984 0.000 -3.145) 7.660 3.553 ( 2.773 0.000 -4.651) 5.415 3.595 ( 3.194 0.000 0.799) 3.293 3.608 ( -1.295 0.000 -4.389) 4.576 3.711 ( -2.936 0.000 -1.959) 3.530 3.822 ( -4.616 0.000 -9.828) 10.858 3.865 ( 0.847 0.000 2.438) 2.581 3.940 ( -7.704 0.000 1.700) 7.890 4.154 ( 2.054 0.000 0.421) 2.096 4.182 ( -1.719 0.000 0.650) 1.838 4.218 ( -0.396 0.000 -5.069) 5.085 4.273 ( 1.110 0.000 3.818) 3.976 4.339 ( 0.900 0.000 3.692) 3.800 4.381 ( -9.729 0.000 -0.640) 9.750 4.490 ( 0.306 0.000 5.141) 5.150 4.549 ( -4.531 0.000 -0.094) 4.532 4.696 ( -2.931 0.000 -5.043) 5.833 4.777 ( -3.143 0.000 -0.666) 3.213 4.837 ( 0.508 0.000 -2.825) 2.870 4.908 ( 0.755 0.000 1.878) 2.024 4.941 ( 9.650 0.000 6.057) 11.393 4.981 ( 12.166 0.000 5.164) 13.216 5.136 ( 1.303 0.000 -4.089) 4.291 5.177 ( 9.786 0.000 1.662) 9.927 5.277 ( -7.752 0.000 1.686) 7.933 5.344 ( 0.023 0.000 -4.263) 4.263 5.439 ( 3.200 0.000 0.933) 3.333 5.573 ( -0.980 0.000 -7.812) 7.873 5.587 ( -2.208 0.000 -0.985) 2.418 5.718 ( 8.190 0.000 1.011) 8.252 5.735 ( -2.138 0.000 -9.268) 9.512 5.945 ( -3.450 0.000 -6.419) 7.288 6.015 ( -8.913 0.000 -6.361) 10.950 6.021 ( -0.408 0.000 -5.067) 5.084 6.095 ( -10.532 0.000 -4.477) 11.444 6.224 ( 7.592 0.000 9.582) 12.225 6.418 ( -4.533 0.000 -11.974) 12.804 6.625 ( -4.022 0.000 -0.178) 4.026 6.684 ( -1.530 0.000 6.593) 6.769 6.765 ( 5.120 0.000 -2.332) 5.626 6.902 ( 3.579 0.000 11.305) 11.858 6.938 ( -3.432 0.000 -15.759) 16.128 7.149 ( 0.324 0.000 -0.494) 0.590 7.198 ( 6.068 0.000 9.070) 10.913 7.332 ( 0.930 0.000 1.563) 1.818 7.401 ( 1.070 0.000 3.190) 3.365 7.499 ( -4.992 0.000 -3.175) 5.916 7.639 ( 9.454 0.000 2.825) 9.867 7.688 ( -3.192 0.000 4.259) 5.323 7.880 ( -11.286 0.000 2.671) 11.597 8.012 ( -12.960 0.000 -0.157) 12.961 8.108 ( 11.562 0.000 -4.778) 12.510 8.248 ( 10.659 0.000 -3.477) 11.212 8.454 ( -9.684 0.000 5.005) 10.901 8.465 ( 12.057 0.000 -0.994) 12.097 8.528 ( -10.945 0.000 1.883) 11.106 8.751 ( 0.393 0.000 0.691) 0.795 8.898 ( 0.609 0.000 3.520) 3.572 9.004 ( -3.232 0.000 3.268) 4.596 9.088 ( 0.687 0.000 -1.499) 1.650 9.151 ( -0.651 0.000 9.034) 9.057 9.326 ( -2.472 0.000 -1.488) 2.885 9.329 ( 3.912 0.000 7.607) 8.555 9.612 ( 0.753 0.000 2.733) 2.835 9.765 ( 2.678 0.000 1.778) 3.214 9.817 ( -6.923 0.000 -2.030) 7.215 9.934 ( -5.432 0.000 -4.345) 6.957 10.045 ( -0.405 0.000 0.267) 0.485 10.070 ( -0.468 0.000 -1.727) 1.789 10.128 ( 5.386 0.000 0.597) 5.419 10.183 ( -3.420 0.000 -4.816) 5.907 10.450 ( 1.094 0.000 -3.194) 3.376 10.490 ( 7.591 0.000 -0.947) 7.650 10.541 ( 1.346 0.000 -6.315) 6.457 10.554 ( -3.134 0.000 -3.402) 4.625 10.854 ( 1.593 0.000 5.874) 6.086 11.103 ( 0.975 0.000 -5.881) 5.961 11.258 ( 4.225 0.000 -0.749) 4.291 11.364 ( -16.964 0.000 -8.012) 18.761 11.425 ( -3.720 0.000 -8.838) 9.589 11.480 ( -3.908 0.000 5.667) 6.884 11.587 ( -6.326 0.000 -5.357) 8.289 11.684 ( -0.307 0.000 -0.788) 0.846 11.869 ( 4.703 0.000 4.861) 6.764 12.015 ( 3.823 0.000 7.747) 8.639 12.094 ( -2.503 0.000 -2.289) 3.392 12.189 ( -3.254 0.000 3.316) 4.646 12.274 ( 6.949 0.000 6.117) 9.258 12.523 ( 2.916 0.000 8.235) 8.736 12.857 ( 9.579 0.000 -4.630) 10.640 13.011 ( -15.063 0.000 -4.746) 15.793 13.028 ( -2.763 0.000 -4.527) 5.304 13.233 ( -9.705 0.000 -10.652) 14.410 13.256 ( 2.441 0.000 7.021) 7.433 13.288 ( -0.372 0.000 5.314) 5.327 13.333 ( 1.044 0.000 7.650) 7.721 13.492 ( 0.974 0.000 -0.798) 1.259 13.913 ( 23.725 0.000 -3.124) 23.929 13.950 ( 0.288 0.000 -3.861) 3.872 14.151 ( -0.943 0.000 6.247) 6.318 14.415 ( -4.631 0.000 0.299) 4.641 14.423 ( -2.998 0.000 -3.577) 4.667 14.503 ( -4.189 0.000 0.163) 4.192 14.592 ( -0.765 0.000 3.333) 3.419 14.601 ( 6.492 0.000 0.171) 6.494 14.773 ( 2.354 0.000 -1.148) 2.619 14.804 ( 5.801 0.000 -2.658) 6.381 14.930 ( -2.282 0.000 4.148) 4.734 14.976 ( 15.798 0.000 5.659) 16.781 15.415 ( -2.016 0.000 -3.269) 3.840 15.424 ( -0.308 0.000 -1.277) 1.314 15.736 ( 17.690 0.000 -0.007) 17.690 15.749 ( -4.487 0.000 0.559) 4.521 16.987 ( -2.231 0.000 2.135) 3.088 17.180 ( 0.605 0.000 -2.834) 2.898 17.187 ( 10.115 0.000 2.436) 10.405 17.467 ( -6.052 0.000 -4.842) 7.751 18.226 ( 0.108 0.000 5.179) 5.180 18.655 ( 2.426 0.000 -2.611) 3.564 19.117 ( -6.369 0.000 -1.601) 6.567 19.216 ( 2.783 0.000 -1.306) 3.075 19.530 ( 10.639 0.000 4.459) 11.536 19.874 ( -6.435 0.000 -4.304) 7.742 20.214 ( -1.211 0.000 5.224) 5.363 20.921 ( -2.934 0.000 -15.137) 15.419 21.247 ( 3.394 0.000 4.215) 5.412 21.482 ( -1.950 0.000 -2.652) 3.292 21.733 ( 1.660 0.000 8.997) 9.149 22.005 ( -1.144 0.000 -1.603) 1.969 22.098 ( -0.069 0.000 1.156) 1.158 22.109 ( -0.914 0.000 2.777) 2.923 22.306 ( -2.412 0.000 0.106) 2.414 22.367 ( -1.381 0.000 1.144) 1.793 22.439 ( -0.580 0.000 1.664) 1.762 22.555 ( 2.838 0.000 -3.460) 4.475 27.490 ( 0.663 0.000 8.475) 8.501 27.962 ( -3.588 0.000 1.096) 3.752 28.170 ( -12.595 0.000 1.780) 12.720 28.425 ( -0.770 0.000 -3.383) 3.470 28.493 ( -2.799 0.000 -5.446) 6.123 28.498 ( 2.164 0.000 -0.747) 2.289 28.696 ( 1.196 0.000 0.790) 1.433 28.758 ( -0.669 0.000 -1.351) 1.508 28.780 ( -0.423 0.000 0.614) 0.745 28.837 ( -1.459 0.000 -2.875) 3.224 28.951 ( 5.417 0.000 1.587) 5.644 29.311 ( -9.369 0.000 -11.491) 14.827 29.350 ( -3.550 0.000 1.990) 4.070 29.569 ( -2.585 0.000 -6.656) 7.141 29.727 ( 5.804 0.000 3.703) 6.884 29.809 ( 3.688 0.000 0.723) 3.758 29.900 ( -2.278 0.000 2.300) 3.237 29.995 ( -1.528 0.000 -0.107) 1.532 30.062 ( 18.671 0.000 0.581) 18.680 30.121 ( 0.667 0.000 -0.600) 0.897 30.189 ( 1.807 0.000 8.932) 9.113 30.269 ( -0.471 0.000 0.814) 0.941 30.352 ( -1.874 0.000 -0.815) 2.043 30.773 ( -41.170 0.000 -4.880) 41.458 31.077 ( -1.147 0.000 -1.215) 1.671 31.177 ( 6.027 0.000 -4.797) 7.703 31.263 ( 1.114 0.000 10.023) 10.085 31.397 ( 4.633 0.000 6.538) 8.013 31.501 ( 3.765 0.000 -0.219) 3.772 31.602 ( 2.258 0.000 2.173) 3.134 31.615 ( -1.323 0.000 -0.647) 1.473 31.638 ( -4.144 0.000 -0.681) 4.199 31.718 ( 1.822 0.000 7.201) 7.428 31.911 ( 2.289 0.000 -0.068) 2.290 32.273 ( 5.849 0.000 -11.983) 13.334 32.337 ( -0.920 0.000 -11.748) 11.784 32.651 ( 8.207 0.000 6.745) 10.623 32.724 ( -2.727 0.000 4.780) 5.503 33.305 ( 19.230 0.000 -0.443) 19.235 33.354 ( 0.844 0.000 -1.828) 2.014 34.241 ( 1.815 0.000 1.614) 2.429 34.348 ( -12.565 0.000 -1.005) 12.605 ======================= Grid point 46 (17/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 32.574 0.000 5.800) 33.086 0.788 ( 9.704 0.000 5.711) 11.260 1.127 ( 7.840 0.000 2.480) 8.223 1.164 ( -16.166 0.000 3.711) 16.587 1.381 ( 6.190 0.000 16.269) 17.407 1.543 ( 7.128 0.000 -0.861) 7.180 1.612 ( 0.821 0.000 4.503) 4.577 1.822 ( -14.103 0.000 2.584) 14.338 1.822 ( 5.772 0.000 19.005) 19.862 2.004 ( 4.659 0.000 -11.667) 12.563 2.146 ( -2.833 0.000 -4.468) 5.290 2.205 ( -2.962 0.000 -7.291) 7.870 2.262 ( 6.203 0.000 9.101) 11.014 2.386 ( -3.866 0.000 -0.050) 3.867 2.447 ( 0.976 0.000 3.023) 3.177 2.500 ( -1.644 0.000 -1.208) 2.040 2.500 ( 3.851 0.000 3.489) 5.197 2.572 ( -2.226 0.000 -6.769) 7.126 2.647 ( 8.624 0.000 2.495) 8.978 2.676 ( -1.400 0.000 19.231) 19.282 2.681 ( -3.593 0.000 0.780) 3.677 2.772 ( -5.675 0.000 2.576) 6.232 2.851 ( 2.633 0.000 -3.079) 4.051 2.864 ( 7.614 0.000 4.266) 8.728 2.959 ( -1.930 0.000 2.672) 3.296 3.049 ( 4.875 0.000 -2.677) 5.562 3.090 ( -15.831 0.000 -10.933) 19.240 3.140 ( -4.378 0.000 0.879) 4.465 3.161 ( 4.326 0.000 -2.186) 4.847 3.179 ( 0.131 0.000 0.450) 0.469 3.271 ( -0.944 0.000 -1.930) 2.149 3.336 ( -2.314 0.000 10.870) 11.113 3.431 ( 1.017 0.000 -1.954) 2.203 3.441 ( 9.346 0.000 -3.693) 10.049 3.478 ( -3.353 0.000 -3.266) 4.681 3.495 ( -7.821 0.000 -6.128) 9.936 3.612 ( 0.162 0.000 -1.233) 1.243 3.645 ( 0.595 0.000 1.493) 1.607 3.819 ( 0.590 0.000 1.424) 1.542 3.848 ( -3.937 0.000 -0.548) 3.975 4.015 ( 4.859 0.000 -4.327) 6.506 4.085 ( -7.557 0.000 10.829) 13.205 4.104 ( 3.128 0.000 -8.686) 9.232 4.188 ( -0.061 0.000 2.271) 2.272 4.252 ( -4.627 0.000 -3.610) 5.869 4.371 ( 4.101 0.000 8.183) 9.153 4.413 ( -1.748 0.000 4.440) 4.771 4.446 ( -1.198 0.000 -4.844) 4.990 4.508 ( -2.899 0.000 -1.124) 3.109 4.602 ( 4.318 0.000 -6.215) 7.568 4.794 ( -1.299 0.000 -7.409) 7.522 4.799 ( -1.237 0.000 0.027) 1.238 4.872 ( -10.085 0.000 8.115) 12.944 5.004 ( -2.461 0.000 -1.361) 2.812 5.045 ( -11.940 0.000 -2.531) 12.206 5.138 ( 2.430 0.000 -3.502) 4.263 5.188 ( 4.392 0.000 -0.530) 4.424 5.258 ( -4.596 0.000 1.923) 4.982 5.375 ( -0.156 0.000 2.608) 2.613 5.447 ( 1.219 0.000 -0.543) 1.335 5.467 ( 1.808 0.000 -6.892) 7.125 5.664 ( -3.149 0.000 -3.485) 4.697 5.719 ( 14.063 0.000 2.352) 14.259 5.765 ( 2.537 0.000 2.726) 3.724 5.804 ( -7.377 0.000 -2.354) 7.744 5.908 ( -1.336 0.000 -8.045) 8.155 5.942 ( 3.719 0.000 -5.014) 6.243 6.055 ( 11.438 0.000 -3.101) 11.851 6.312 ( 1.167 0.000 -0.109) 1.172 6.514 ( 6.553 0.000 4.103) 7.732 6.536 ( -5.733 0.000 -3.041) 6.489 6.605 ( -6.675 0.000 -0.484) 6.692 6.733 ( 5.365 0.000 -0.553) 5.394 6.959 ( -2.854 0.000 -1.616) 3.280 6.966 ( 6.117 0.000 7.146) 9.406 6.997 ( -7.876 0.000 -11.076) 13.591 7.354 ( 2.905 0.000 2.957) 4.145 7.380 ( 1.861 0.000 0.585) 1.951 7.426 ( 4.635 0.000 5.978) 7.565 7.460 ( -9.071 0.000 -3.496) 9.721 7.609 ( 6.452 0.000 -0.098) 6.453 7.702 ( -9.734 0.000 0.072) 9.735 7.883 ( -3.216 0.000 3.581) 4.813 8.029 ( 8.791 0.000 8.018) 11.898 8.235 ( 13.617 0.000 -3.583) 14.080 8.326 ( 5.222 0.000 -2.668) 5.864 8.363 ( -7.745 0.000 5.162) 9.308 8.446 ( -3.217 0.000 5.776) 6.612 8.635 ( 8.399 0.000 0.610) 8.421 8.727 ( -1.380 0.000 -4.778) 4.973 8.969 ( 0.200 0.000 8.618) 8.620 9.004 ( -2.273 0.000 1.654) 2.811 9.125 ( -2.246 0.000 -7.388) 7.722 9.135 ( 2.937 0.000 3.058) 4.240 9.369 ( -3.259 0.000 12.794) 13.202 9.471 ( 2.974 0.000 7.749) 8.300 9.669 ( -6.018 0.000 -2.752) 6.617 9.746 ( 6.474 0.000 4.452) 7.857 9.785 ( -5.158 0.000 -6.128) 8.010 9.832 ( 1.970 0.000 1.723) 2.617 9.952 ( -1.217 0.000 -8.729) 8.814 10.019 ( -2.355 0.000 -1.253) 2.667 10.091 ( -7.074 0.000 1.903) 7.325 10.209 ( 2.759 0.000 0.469) 2.799 10.362 ( -2.313 0.000 -9.227) 9.512 10.408 ( -8.234 0.000 -5.234) 9.757 10.454 ( -1.449 0.000 -6.334) 6.497 10.586 ( 2.565 0.000 1.294) 2.873 10.964 ( 3.550 0.000 3.044) 4.676 11.068 ( -7.784 0.000 -2.872) 8.297 11.142 ( 2.366 0.000 -0.917) 2.537 11.305 ( -0.371 0.000 -2.201) 2.232 11.407 ( 10.001 0.000 3.793) 10.696 11.446 ( -2.241 0.000 -8.063) 8.368 11.560 ( 1.990 0.000 4.470) 4.893 11.670 ( 2.178 0.000 -1.225) 2.499 11.961 ( -7.970 0.000 -1.639) 8.137 11.977 ( 2.070 0.000 2.978) 3.627 12.146 ( 1.934 0.000 3.564) 4.055 12.152 ( -3.389 0.000 2.046) 3.959 12.509 ( 7.595 0.000 9.337) 12.035 12.705 ( 2.163 0.000 5.983) 6.362 12.725 ( -6.758 0.000 -12.043) 13.810 12.809 ( -14.588 0.000 -1.535) 14.669 12.953 ( 1.250 0.000 1.234) 1.756 13.037 ( 3.046 0.000 -5.302) 6.115 13.346 ( 1.204 0.000 6.669) 6.776 13.385 ( 3.739 0.000 6.141) 7.190 13.458 ( 2.414 0.000 4.994) 5.547 13.545 ( 6.509 0.000 -2.259) 6.890 13.881 ( -0.892 0.000 -6.800) 6.859 14.031 ( 7.908 0.000 -9.118) 12.070 14.241 ( 1.367 0.000 5.803) 5.962 14.334 ( -9.359 0.000 5.771) 10.995 14.346 ( -1.282 0.000 -3.120) 3.373 14.415 ( -6.275 0.000 -2.426) 6.727 14.540 ( -5.241 0.000 -0.053) 5.241 14.729 ( 8.219 0.000 1.899) 8.436 14.792 ( 1.407 0.000 -0.774) 1.606 14.908 ( 10.271 0.000 -5.411) 11.610 14.926 ( -4.188 0.000 2.624) 4.942 15.162 ( 5.484 0.000 0.041) 5.484 15.337 ( -1.443 0.000 0.684) 1.597 15.416 ( 1.592 0.000 -1.533) 2.210 15.636 ( -7.726 0.000 -4.076) 8.735 15.845 ( 1.308 0.000 4.749) 4.926 16.929 ( -8.082 0.000 2.407) 8.433 17.059 ( -8.905 0.000 -2.111) 9.152 17.379 ( 2.334 0.000 -5.978) 6.417 17.486 ( 20.043 0.000 -0.299) 20.045 18.333 ( 5.019 0.000 8.350) 9.743 18.579 ( -5.980 0.000 -9.311) 11.066 19.120 ( 8.095 0.000 4.114) 9.080 19.252 ( 3.426 0.000 -3.038) 4.579 19.677 ( -8.183 0.000 -8.071) 11.494 19.787 ( 13.104 0.000 5.506) 14.214 20.306 ( 2.047 0.000 8.796) 9.031 20.707 ( -0.328 0.000 -14.475) 14.478 21.384 ( 5.815 0.000 5.250) 7.834 21.396 ( -4.087 0.000 -4.504) 6.082 21.850 ( 0.580 0.000 9.729) 9.746 21.904 ( -8.150 0.000 -4.302) 9.216 22.100 ( -3.408 0.000 2.313) 4.119 22.118 ( -0.755 0.000 1.673) 1.835 22.231 ( -7.649 0.000 0.815) 7.692 22.342 ( -2.922 0.000 0.639) 2.991 22.448 ( -0.663 0.000 0.957) 1.164 22.537 ( -0.480 0.000 -2.603) 2.647 27.640 ( 2.427 0.000 12.372) 12.608 27.854 ( -7.049 0.000 -1.362) 7.179 28.192 ( 1.584 0.000 6.529) 6.718 28.353 ( -2.303 0.000 -5.864) 6.300 28.414 ( -0.196 0.000 -5.210) 5.214 28.508 ( 1.326 0.000 -0.791) 1.544 28.708 ( -1.154 0.000 0.831) 1.423 28.729 ( -0.233 0.000 -2.227) 2.239 28.777 ( -0.731 0.000 0.063) 0.733 28.815 ( 0.530 0.000 -0.217) 0.573 29.071 ( -5.049 0.000 -9.083) 10.392 29.082 ( 7.586 0.000 4.026) 8.588 29.377 ( 0.590 0.000 4.504) 4.542 29.466 ( -2.612 0.000 -3.740) 4.562 29.777 ( -1.821 0.000 -2.564) 3.145 29.779 ( -4.251 0.000 -3.423) 5.458 29.936 ( 0.344 0.000 6.004) 6.014 29.991 ( -4.933 0.000 -3.431) 6.009 30.052 ( 3.430 0.000 1.743) 3.847 30.100 ( -5.001 0.000 -0.449) 5.022 30.278 ( 1.701 0.000 -0.162) 1.709 30.291 ( -4.532 0.000 -0.592) 4.571 30.508 ( -0.603 0.000 0.480) 0.771 30.513 ( 15.914 0.000 13.220) 20.689 31.090 ( 3.088 0.000 1.350) 3.371 31.179 ( 3.991 0.000 -5.303) 6.637 31.371 ( -6.880 0.000 4.158) 8.039 31.438 ( -7.585 0.000 1.138) 7.670 31.475 ( -4.714 0.000 6.338) 7.899 31.537 ( 1.256 0.000 2.279) 2.602 31.637 ( 1.011 0.000 -2.032) 2.269 31.692 ( 5.102 0.000 0.511) 5.127 31.834 ( 1.185 0.000 8.086) 8.172 31.965 ( 2.146 0.000 0.746) 2.272 32.170 ( -0.655 0.000 -13.118) 13.135 32.183 ( 3.921 0.000 -12.188) 12.803 32.706 ( -4.570 0.000 1.852) 4.931 32.782 ( 3.810 0.000 2.818) 4.740 33.284 ( -9.706 0.000 1.082) 9.766 33.314 ( -2.375 0.000 -3.508) 4.237 34.350 ( 8.023 0.000 4.171) 9.042 34.363 ( 8.796 0.000 -5.923) 10.604 ======================= Grid point 47 (18/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -20.497 0.000 5.073) 21.115 1.011 ( 9.926 0.000 5.544) 11.369 1.186 ( 23.994 0.000 -1.899) 24.069 1.259 ( 8.381 0.000 -1.663) 8.545 1.575 ( -1.914 0.000 0.127) 1.919 1.618 ( 6.409 0.000 -2.775) 6.984 1.715 ( -0.748 0.000 7.807) 7.842 1.718 ( 4.840 0.000 2.395) 5.400 1.912 ( 0.744 0.000 -8.011) 8.045 1.946 ( 1.083 0.000 3.225) 3.401 2.061 ( -4.678 0.000 -5.097) 6.918 2.128 ( 9.252 0.000 -1.703) 9.407 2.284 ( -4.470 0.000 -3.680) 5.790 2.332 ( -11.047 0.000 -0.972) 11.089 2.441 ( -6.559 0.000 -0.973) 6.631 2.443 ( -1.662 0.000 -5.852) 6.083 2.472 ( -1.120 0.000 0.935) 1.459 2.511 ( 1.731 0.000 -2.894) 3.372 2.665 ( 3.264 0.000 2.177) 3.924 2.697 ( -2.425 0.000 3.611) 4.350 2.786 ( -2.184 0.000 -3.389) 4.032 2.802 ( -7.367 0.000 -0.442) 7.380 2.821 ( -3.471 0.000 1.052) 3.627 2.849 ( -3.316 0.000 5.135) 6.113 2.922 ( -3.832 0.000 6.473) 7.522 3.074 ( 2.238 0.000 2.116) 3.080 3.086 ( -0.659 0.000 0.034) 0.660 3.131 ( 5.967 0.000 0.435) 5.983 3.142 ( -1.083 0.000 4.839) 4.959 3.220 ( 5.343 0.000 -0.448) 5.362 3.271 ( 2.083 0.000 0.111) 2.086 3.371 ( -4.264 0.000 0.613) 4.307 3.389 ( 1.361 0.000 -0.506) 1.452 3.445 ( 3.755 0.000 5.236) 6.443 3.519 ( 0.602 0.000 -1.894) 1.987 3.529 ( 11.398 0.000 -15.710) 19.409 3.635 ( -7.067 0.000 1.346) 7.194 3.657 ( 3.556 0.000 5.949) 6.931 3.737 ( -5.773 0.000 2.293) 6.212 3.858 ( -6.046 0.000 -4.098) 7.304 3.873 ( 4.421 0.000 2.792) 5.229 4.110 ( 1.021 0.000 1.853) 2.116 4.202 ( -2.689 0.000 1.691) 3.177 4.215 ( 3.637 0.000 5.774) 6.823 4.283 ( -8.194 0.000 -0.730) 8.227 4.328 ( 5.610 0.000 7.849) 9.648 4.465 ( 0.891 0.000 0.476) 1.010 4.507 ( 3.572 0.000 1.196) 3.767 4.562 ( 2.238 0.000 -9.863) 10.114 4.578 ( 7.047 0.000 9.161) 11.558 4.609 ( -8.127 0.000 -2.638) 8.544 4.679 ( -3.481 0.000 -3.967) 5.278 4.870 ( -8.332 0.000 3.228) 8.936 4.950 ( -5.036 0.000 2.396) 5.577 4.963 ( 0.135 0.000 -0.941) 0.951 5.099 ( 1.155 0.000 -0.509) 1.262 5.116 ( -10.130 0.000 -1.377) 10.224 5.130 ( -2.024 0.000 -10.879) 11.066 5.377 ( -2.082 0.000 0.217) 2.094 5.456 ( -6.873 0.000 -5.340) 8.704 5.493 ( 4.624 0.000 -0.662) 4.671 5.535 ( 1.295 0.000 2.280) 2.622 5.750 ( 0.421 0.000 -7.089) 7.101 5.759 ( -0.723 0.000 2.859) 2.949 5.856 ( -3.378 0.000 -5.297) 6.282 5.920 ( 7.624 0.000 0.527) 7.642 6.070 ( 15.162 0.000 10.241) 18.297 6.231 ( 10.959 0.000 1.983) 11.137 6.272 ( -7.522 0.000 -1.021) 7.591 6.334 ( -4.256 0.000 -10.791) 11.599 6.528 ( 3.952 0.000 1.722) 4.311 6.574 ( -2.849 0.000 -1.719) 3.328 6.748 ( -5.192 0.000 -6.872) 8.613 6.891 ( -7.223 0.000 -1.615) 7.401 7.010 ( 6.015 0.000 7.855) 9.893 7.154 ( 6.342 0.000 8.813) 10.858 7.221 ( -8.780 0.000 -5.127) 10.168 7.386 ( 2.108 0.000 3.232) 3.858 7.409 ( -1.623 0.000 -1.790) 2.416 7.530 ( -10.514 0.000 6.716) 12.476 7.637 ( 8.817 0.000 2.686) 9.217 7.768 ( 8.588 0.000 -3.598) 9.311 7.885 ( 11.161 0.000 -0.346) 11.166 8.140 ( 0.954 0.000 -6.643) 6.711 8.262 ( 0.377 0.000 1.782) 1.821 8.388 ( 6.449 0.000 -1.168) 6.554 8.487 ( -2.699 0.000 4.128) 4.932 8.531 ( 10.788 0.000 1.916) 10.957 8.631 ( -0.559 0.000 -1.040) 1.181 8.725 ( 0.370 0.000 4.124) 4.140 8.956 ( -3.134 0.000 -2.334) 3.907 9.006 ( 0.339 0.000 -8.499) 8.506 9.093 ( -2.767 0.000 8.508) 8.947 9.181 ( -0.410 0.000 4.230) 4.249 9.415 ( -6.323 0.000 4.587) 7.812 9.535 ( 0.430 0.000 2.462) 2.499 9.629 ( -1.393 0.000 -5.899) 6.062 9.732 ( 5.470 0.000 3.753) 6.634 9.733 ( -2.991 0.000 -2.313) 3.781 9.913 ( 0.067 0.000 5.014) 5.015 9.954 ( -0.387 0.000 0.272) 0.473 9.962 ( -0.289 0.000 -1.722) 1.746 10.035 ( 1.096 0.000 3.614) 3.777 10.161 ( -5.507 0.000 -5.677) 7.909 10.223 ( -8.330 0.000 -3.904) 9.200 10.252 ( -1.609 0.000 -1.592) 2.263 10.390 ( -0.828 0.000 -1.972) 2.139 10.578 ( -3.886 0.000 -0.572) 3.928 10.961 ( -4.321 0.000 2.964) 5.240 10.961 ( -2.070 0.000 -4.128) 4.618 11.188 ( 3.809 0.000 -8.795) 9.584 11.352 ( 1.495 0.000 1.191) 1.911 11.379 ( 5.917 0.000 5.408) 8.016 11.530 ( 2.870 0.000 -0.224) 2.879 11.632 ( -0.056 0.000 3.461) 3.462 11.779 ( 4.184 0.000 6.566) 7.786 11.893 ( 1.432 0.000 1.983) 2.446 11.968 ( -6.020 0.000 0.752) 6.067 12.107 ( -3.687 0.000 -6.497) 7.471 12.154 ( 3.054 0.000 -1.073) 3.237 12.465 ( -7.782 0.000 -8.302) 11.379 12.513 ( -10.389 0.000 -4.882) 11.479 12.715 ( 0.101 0.000 1.900) 1.903 12.836 ( 6.775 0.000 12.571) 14.280 13.090 ( 5.484 0.000 0.940) 5.564 13.126 ( 6.589 0.000 9.009) 11.162 13.442 ( -0.841 0.000 4.133) 4.218 13.488 ( 2.174 0.000 1.930) 2.907 13.520 ( 2.633 0.000 1.859) 3.223 13.596 ( 6.533 0.000 -4.327) 7.836 13.770 ( -0.608 0.000 -9.490) 9.510 13.979 ( 1.800 0.000 -10.101) 10.260 14.222 ( -8.878 0.000 4.568) 9.985 14.259 ( -5.739 0.000 -5.213) 7.753 14.328 ( -0.297 0.000 -0.075) 0.306 14.409 ( 1.985 0.000 11.814) 11.979 14.482 ( -2.218 0.000 0.190) 2.227 14.762 ( -3.871 0.000 -2.985) 4.888 14.865 ( 0.621 0.000 4.821) 4.861 14.885 ( -0.412 0.000 -10.080) 10.089 14.885 ( 3.840 0.000 -3.123) 4.949 15.170 ( 2.400 0.000 -3.100) 3.920 15.394 ( -3.744 0.000 -3.242) 4.953 15.460 ( 9.116 0.000 4.250) 10.058 15.505 ( 0.576 0.000 -2.764) 2.823 15.914 ( 0.985 0.000 2.928) 3.089 16.823 ( -9.231 0.000 2.079) 9.462 16.949 ( -5.013 0.000 0.669) 5.057 17.387 ( 5.655 0.000 -2.051) 6.015 17.736 ( 12.251 0.000 2.114) 12.432 18.325 ( -11.090 0.000 -9.080) 14.333 18.551 ( 8.827 0.000 8.672) 12.374 19.206 ( -2.444 0.000 -5.633) 6.140 19.364 ( 16.190 0.000 2.542) 16.388 19.499 ( -3.412 0.000 -5.969) 6.875 20.009 ( 10.190 0.000 2.297) 10.445 20.463 ( 1.419 0.000 12.739) 12.818 20.607 ( 5.890 0.000 -8.710) 10.515 21.268 ( -4.822 0.000 -4.659) 6.705 21.513 ( 5.580 0.000 1.943) 5.908 21.665 ( -14.005 0.000 -7.131) 15.716 21.945 ( -1.434 0.000 0.001) 1.434 22.036 ( -8.870 0.000 8.695) 12.421 22.144 ( 1.855 0.000 1.026) 2.120 22.146 ( -5.255 0.000 1.445) 5.450 22.311 ( -1.911 0.000 0.915) 2.119 22.439 ( -0.861 0.000 -0.450) 0.972 22.481 ( -2.865 0.000 -2.623) 3.884 27.745 ( -3.623 0.000 -3.552) 5.074 27.833 ( 2.841 0.000 12.739) 13.052 28.220 ( -4.306 0.000 -7.536) 8.680 28.292 ( 1.030 0.000 5.440) 5.536 28.371 ( 1.119 0.000 -2.295) 2.554 28.531 ( 0.895 0.000 1.391) 1.654 28.681 ( -3.341 0.000 0.619) 3.398 28.710 ( 1.570 0.000 -1.865) 2.438 28.758 ( -1.255 0.000 -0.409) 1.320 28.820 ( 0.346 0.000 -0.808) 0.879 28.956 ( -0.332 0.000 -4.137) 4.151 29.267 ( 7.661 0.000 7.463) 10.695 29.414 ( -0.641 0.000 -0.469) 0.795 29.454 ( 2.036 0.000 4.752) 5.170 29.655 ( -6.058 0.000 -3.117) 6.813 29.690 ( -4.444 0.000 -2.819) 5.263 29.829 ( -7.470 0.000 -7.544) 10.617 29.902 ( -7.246 0.000 1.034) 7.320 30.138 ( 6.036 0.000 1.378) 6.191 30.161 ( 8.338 0.000 -0.343) 8.345 30.219 ( -4.183 0.000 -0.247) 4.190 30.283 ( -0.901 0.000 0.015) 0.902 30.578 ( 7.283 0.000 0.123) 7.284 30.895 ( 11.451 0.000 13.250) 17.512 31.095 ( -11.314 0.000 -3.845) 11.949 31.177 ( 3.754 0.000 -4.780) 6.078 31.255 ( 4.814 0.000 8.020) 9.354 31.434 ( -6.582 0.000 2.136) 6.920 31.448 ( -1.658 0.000 -1.204) 2.049 31.598 ( -0.662 0.000 5.832) 5.869 31.654 ( 2.212 0.000 1.308) 2.570 31.739 ( 3.169 0.000 -2.728) 4.181 31.893 ( -5.576 0.000 -7.956) 9.715 31.917 ( 2.302 0.000 0.571) 2.372 32.096 ( 3.610 0.000 -3.127) 4.777 32.145 ( 2.946 0.000 -1.686) 3.394 32.647 ( -4.060 0.000 -0.385) 4.078 32.843 ( 2.099 0.000 0.123) 2.102 33.163 ( -9.053 0.000 2.579) 9.413 33.209 ( -3.311 0.000 -5.890) 6.757 34.404 ( 5.892 0.000 -4.791) 7.594 34.544 ( 8.630 0.000 5.788) 10.391 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -24.749 0.000 8.453) 26.152 1.122 ( 0.314 0.000 -0.350) 0.470 1.283 ( 0.399 0.000 -1.616) 1.664 1.299 ( -4.861 0.000 -3.576) 6.035 1.553 ( 6.458 0.000 -5.384) 8.408 1.600 ( 5.547 0.000 2.665) 6.154 1.761 ( -0.134 0.000 -0.731) 0.743 1.869 ( 8.677 0.000 -7.214) 11.285 1.930 ( -0.603 0.000 6.436) 6.464 1.956 ( -1.684 0.000 -3.893) 4.242 1.967 ( -2.223 0.000 7.346) 7.675 2.209 ( 1.009 0.000 -3.906) 4.034 2.236 ( 9.310 0.000 -1.511) 9.432 2.373 ( 2.348 0.000 2.275) 3.270 2.403 ( 6.578 0.000 -4.008) 7.703 2.466 ( 3.566 0.000 3.398) 4.926 2.498 ( 4.544 0.000 3.518) 5.747 2.513 ( 2.176 0.000 -2.082) 3.012 2.637 ( -2.218 0.000 -6.990) 7.333 2.677 ( -2.777 0.000 0.063) 2.778 2.692 ( 0.160 0.000 -3.509) 3.512 2.722 ( -2.884 0.000 -1.145) 3.103 2.808 ( -13.368 0.000 2.997) 13.700 2.832 ( -1.614 0.000 1.527) 2.222 2.890 ( 3.526 0.000 4.051) 5.371 2.979 ( -3.675 0.000 -1.795) 4.090 3.075 ( 0.914 0.000 -2.804) 2.949 3.175 ( -1.579 0.000 0.181) 1.590 3.210 ( 3.950 0.000 -1.768) 4.328 3.236 ( -7.714 0.000 -2.735) 8.184 3.268 ( -1.372 0.000 0.507) 1.463 3.340 ( 0.221 0.000 -5.380) 5.385 3.360 ( -4.325 0.000 -1.116) 4.467 3.418 ( -2.403 0.000 -2.992) 3.837 3.486 ( -3.815 0.000 -1.660) 4.161 3.520 ( -6.635 0.000 4.608) 8.079 3.611 ( 13.986 0.000 -0.660) 14.002 3.736 ( 7.312 0.000 0.397) 7.323 3.878 ( 2.484 0.000 8.165) 8.535 3.903 ( -1.451 0.000 -1.720) 2.250 3.928 ( 8.781 0.000 9.034) 12.598 4.115 ( -3.036 0.000 0.583) 3.091 4.168 ( -11.210 0.000 -4.387) 12.037 4.203 ( -2.253 0.000 2.195) 3.145 4.251 ( 4.430 0.000 4.481) 6.301 4.427 ( 3.142 0.000 -4.445) 5.443 4.484 ( -8.775 0.000 3.677) 9.514 4.534 ( 3.552 0.000 0.030) 3.553 4.538 ( 5.524 0.000 -0.064) 5.525 4.545 ( -3.490 0.000 -1.868) 3.959 4.587 ( -2.522 0.000 0.669) 2.609 4.776 ( -8.053 0.000 -2.051) 8.311 4.814 ( 3.999 0.000 6.313) 7.473 4.852 ( -5.886 0.000 -7.424) 9.474 4.894 ( 1.291 0.000 2.440) 2.761 5.014 ( 5.670 0.000 -3.561) 6.695 5.081 ( -3.194 0.000 8.385) 8.972 5.187 ( 4.578 0.000 3.654) 5.857 5.288 ( -6.990 0.000 -2.807) 7.532 5.297 ( -6.000 0.000 -2.786) 6.616 5.548 ( 2.185 0.000 1.090) 2.442 5.624 ( 3.368 0.000 5.251) 6.238 5.685 ( 4.686 0.000 -8.624) 9.815 5.708 ( -3.444 0.000 -2.764) 4.416 5.815 ( -2.043 0.000 2.183) 2.990 6.078 ( 7.375 0.000 6.208) 9.640 6.198 ( 1.311 0.000 -3.155) 3.417 6.228 ( -2.376 0.000 0.529) 2.435 6.360 ( -1.554 0.000 4.717) 4.966 6.383 ( 4.682 0.000 11.339) 12.268 6.425 ( -3.621 0.000 -7.168) 8.030 6.549 ( 1.622 0.000 1.725) 2.367 6.668 ( -8.012 0.000 -7.684) 11.101 6.810 ( 0.402 0.000 8.725) 8.734 7.020 ( 1.945 0.000 -4.442) 4.849 7.190 ( 3.379 0.000 3.956) 5.202 7.272 ( -6.833 0.000 -3.948) 7.892 7.337 ( 4.869 0.000 -0.385) 4.885 7.358 ( -4.432 0.000 -6.204) 7.624 7.462 ( -7.343 0.000 1.613) 7.518 7.830 ( 4.567 0.000 5.762) 7.352 7.850 ( 6.824 0.000 -2.298) 7.200 8.048 ( 2.581 0.000 -5.308) 5.902 8.076 ( 13.910 0.000 -6.365) 15.297 8.342 ( 3.815 0.000 5.333) 6.557 8.426 ( 1.060 0.000 -0.638) 1.237 8.514 ( 1.752 0.000 -4.509) 4.837 8.527 ( 4.070 0.000 1.451) 4.321 8.718 ( -6.585 0.000 1.758) 6.816 8.786 ( 3.397 0.000 8.120) 8.802 8.849 ( -6.441 0.000 -8.415) 10.597 8.956 ( 6.865 0.000 -5.459) 8.771 9.010 ( -8.867 0.000 1.121) 8.938 9.251 ( -0.470 0.000 -1.537) 1.608 9.346 ( -1.137 0.000 -1.425) 1.823 9.488 ( -0.060 0.000 -5.126) 5.126 9.654 ( 1.908 0.000 1.244) 2.277 9.715 ( -2.537 0.000 5.243) 5.825 9.792 ( -11.190 0.000 -0.886) 11.225 9.824 ( 6.924 0.000 2.026) 7.215 9.968 ( -3.637 0.000 -0.214) 3.643 10.045 ( 1.961 0.000 4.764) 5.152 10.074 ( -2.733 0.000 -3.890) 4.754 10.120 ( 1.270 0.000 6.120) 6.251 10.170 ( 6.249 0.000 4.005) 7.422 10.218 ( -1.494 0.000 2.630) 3.025 10.351 ( -4.708 0.000 0.742) 4.766 10.474 ( -6.464 0.000 -2.499) 6.931 10.900 ( -1.273 0.000 1.359) 1.862 10.971 ( -1.226 0.000 -2.471) 2.758 11.103 ( 1.895 0.000 0.056) 1.896 11.488 ( 2.659 0.000 0.503) 2.706 11.520 ( 7.227 0.000 10.634) 12.858 11.560 ( -0.013 0.000 1.719) 1.719 11.586 ( -5.821 0.000 -4.017) 7.073 11.854 ( 2.368 0.000 0.552) 2.432 11.866 ( -8.883 0.000 1.926) 9.090 12.003 ( 3.677 0.000 -5.382) 6.518 12.003 ( 0.634 0.000 0.811) 1.029 12.154 ( 1.271 0.000 -4.006) 4.203 12.341 ( -3.282 0.000 -0.882) 3.398 12.341 ( -2.963 0.000 0.550) 3.014 12.758 ( 1.321 0.000 1.237) 1.809 13.047 ( 2.536 0.000 4.148) 4.862 13.173 ( 2.778 0.000 0.250) 2.789 13.269 ( 2.116 0.000 4.317) 4.808 13.338 ( -7.821 0.000 -6.337) 10.066 13.468 ( 3.990 0.000 -9.848) 10.625 13.570 ( -0.115 0.000 -0.313) 0.333 13.674 ( 5.489 0.000 1.085) 5.595 13.727 ( 5.613 0.000 -1.044) 5.709 13.880 ( -0.355 0.000 -7.478) 7.486 14.169 ( -8.041 0.000 8.429) 11.650 14.173 ( -1.419 0.000 2.193) 2.612 14.338 ( 0.114 0.000 0.854) 0.862 14.456 ( -2.295 0.000 2.240) 3.207 14.589 ( 3.032 0.000 5.952) 6.680 14.643 ( -1.637 0.000 -6.705) 6.902 14.735 ( -1.705 0.000 -6.868) 7.077 14.835 ( 0.493 0.000 -4.235) 4.264 14.983 ( 1.749 0.000 4.843) 5.149 15.182 ( 3.322 0.000 -2.659) 4.255 15.317 ( -1.585 0.000 -0.109) 1.589 15.536 ( 3.659 0.000 -0.698) 3.725 15.615 ( 7.252 0.000 -0.259) 7.256 15.926 ( -1.155 0.000 -1.128) 1.614 16.722 ( -6.680 0.000 1.337) 6.812 16.893 ( -3.235 0.000 -0.829) 3.340 17.487 ( 5.775 0.000 2.160) 6.166 17.873 ( 4.984 0.000 -2.021) 5.378 18.105 ( -5.978 0.000 -3.300) 6.829 18.712 ( 1.490 0.000 2.035) 2.522 19.129 ( 1.696 0.000 -1.882) 2.533 19.450 ( -0.455 0.000 2.997) 3.032 19.589 ( 10.894 0.000 -0.079) 10.894 20.127 ( 6.923 0.000 -4.927) 8.498 20.620 ( -4.395 0.000 15.434) 16.047 20.664 ( 9.565 0.000 -2.641) 9.923 21.183 ( -1.366 0.000 -0.885) 1.628 21.395 ( -8.661 0.000 -5.461) 10.239 21.592 ( 3.634 0.000 -0.685) 3.698 21.802 ( -8.721 0.000 -1.500) 8.849 22.069 ( -4.303 0.000 -2.610) 5.032 22.099 ( -3.017 0.000 8.649) 9.160 22.175 ( 1.119 0.000 -0.047) 1.120 22.320 ( 0.921 0.000 0.640) 1.121 22.395 ( -3.311 0.000 -3.076) 4.519 22.417 ( -0.276 0.000 -1.750) 1.772 27.672 ( -0.021 0.000 -4.009) 4.009 27.956 ( -1.559 0.000 -1.377) 2.080 28.112 ( -1.317 0.000 4.274) 4.473 28.315 ( -1.476 0.000 1.026) 1.798 28.410 ( 2.239 0.000 1.849) 2.904 28.546 ( -0.974 0.000 0.718) 1.210 28.647 ( -3.126 0.000 2.738) 4.156 28.745 ( -0.780 0.000 1.190) 1.423 28.745 ( 3.504 0.000 1.060) 3.660 28.804 ( -0.634 0.000 -1.038) 1.216 28.943 ( 1.272 0.000 0.161) 1.282 29.409 ( 2.044 0.000 2.227) 3.022 29.454 ( 1.211 0.000 2.081) 2.408 29.536 ( 1.868 0.000 3.054) 3.580 29.542 ( -6.046 0.000 -4.840) 7.745 29.595 ( -3.983 0.000 -1.768) 4.358 29.652 ( -0.247 0.000 -1.278) 1.302 29.823 ( -3.325 0.000 -0.579) 3.375 30.165 ( -2.356 0.000 -0.362) 2.383 30.228 ( 3.434 0.000 -0.337) 3.451 30.263 ( -1.165 0.000 1.454) 1.863 30.279 ( 8.300 0.000 -0.925) 8.351 30.687 ( 6.111 0.000 0.135) 6.112 30.866 ( -8.602 0.000 -3.125) 9.152 31.150 ( 2.753 0.000 6.274) 6.851 31.180 ( 3.635 0.000 -4.047) 5.440 31.324 ( -3.418 0.000 -2.875) 4.466 31.345 ( -5.726 0.000 -1.059) 5.823 31.532 ( 8.371 0.000 8.400) 11.859 31.635 ( -5.026 0.000 -6.081) 7.889 31.637 ( -2.336 0.000 4.332) 4.922 31.731 ( 3.352 0.000 -6.400) 7.224 31.771 ( 0.808 0.000 0.051) 0.809 31.915 ( 2.267 0.000 -5.915) 6.334 32.136 ( 2.153 0.000 2.251) 3.115 32.223 ( 0.444 0.000 9.159) 9.170 32.586 ( -1.603 0.000 -2.670) 3.114 32.853 ( 1.802 0.000 -2.961) 3.466 33.078 ( -7.084 0.000 3.063) 7.718 33.123 ( 0.442 0.000 -3.262) 3.292 34.439 ( 4.294 0.000 -1.632) 4.593 34.687 ( 2.407 0.000 2.877) 3.751 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -7.360 0.000 16.710) 18.259 1.130 ( 0.839 0.000 1.937) 2.111 1.280 ( -0.973 0.000 -0.156) 0.985 1.332 ( 9.665 0.000 9.398) 13.481 1.575 ( -5.749 0.000 -3.115) 6.538 1.649 ( 11.733 0.000 -7.685) 14.026 1.799 ( -1.349 0.000 -12.435) 12.508 1.801 ( -2.853 0.000 -6.374) 6.983 1.922 ( 9.034 0.000 7.628) 11.824 1.954 ( -7.723 0.000 2.802) 8.216 2.015 ( 3.792 0.000 -2.647) 4.625 2.248 ( 0.955 0.000 6.479) 6.550 2.317 ( 4.081 0.000 -6.671) 7.820 2.363 ( -14.964 0.000 -6.879) 16.469 2.405 ( 2.509 0.000 -11.834) 12.097 2.415 ( 0.015 0.000 3.188) 3.188 2.507 ( -0.201 0.000 -0.309) 0.368 2.553 ( 3.879 0.000 1.105) 4.033 2.611 ( 5.334 0.000 2.568) 5.920 2.627 ( 4.023 0.000 -1.718) 4.375 2.638 ( -4.949 0.000 3.662) 6.157 2.693 ( -1.501 0.000 2.755) 3.137 2.769 ( -0.750 0.000 0.915) 1.183 2.807 ( -3.473 0.000 -0.544) 3.516 2.939 ( -11.785 0.000 -1.996) 11.953 3.022 ( 0.276 0.000 -3.897) 3.907 3.062 ( 5.731 0.000 4.987) 7.597 3.121 ( -4.056 0.000 3.551) 5.391 3.124 ( 1.862 0.000 -7.542) 7.768 3.210 ( 3.592 0.000 -2.439) 4.342 3.259 ( 0.077 0.000 -3.371) 3.372 3.317 ( 3.605 0.000 0.400) 3.627 3.368 ( 4.982 0.000 3.275) 5.961 3.427 ( 0.305 0.000 7.445) 7.451 3.442 ( 0.706 0.000 -0.984) 1.211 3.500 ( -3.685 0.000 2.257) 4.321 3.737 ( -12.056 0.000 -4.162) 12.754 3.799 ( 9.885 0.000 0.039) 9.885 3.861 ( -1.319 0.000 2.421) 2.757 3.900 ( -6.389 0.000 1.068) 6.478 3.994 ( 8.228 0.000 4.134) 9.209 4.071 ( -0.731 0.000 -2.658) 2.756 4.136 ( -2.497 0.000 1.933) 3.158 4.226 ( -0.204 0.000 2.062) 2.072 4.370 ( -7.743 0.000 0.513) 7.760 4.382 ( 3.996 0.000 -10.612) 11.339 4.400 ( 4.932 0.000 4.172) 6.460 4.473 ( -1.936 0.000 1.598) 2.511 4.502 ( -6.123 0.000 -0.681) 6.161 4.544 ( -1.671 0.000 -4.658) 4.949 4.609 ( -0.896 0.000 -8.895) 8.940 4.663 ( 1.923 0.000 -1.120) 2.225 4.672 ( 2.268 0.000 4.965) 5.459 4.965 ( -2.491 0.000 3.589) 4.369 4.968 ( 3.970 0.000 5.363) 6.672 5.126 ( -4.220 0.000 3.888) 5.738 5.149 ( 6.112 0.000 -2.155) 6.481 5.180 ( -4.165 0.000 -1.442) 4.408 5.216 ( 2.386 0.000 7.174) 7.561 5.274 ( 2.136 0.000 2.334) 3.163 5.586 ( 0.549 0.000 1.491) 1.589 5.600 ( -3.368 0.000 -4.806) 5.869 5.692 ( 5.373 0.000 -3.959) 6.674 5.769 ( -0.423 0.000 2.297) 2.335 5.826 ( 1.863 0.000 8.563) 8.763 6.148 ( -7.341 0.000 -1.851) 7.571 6.149 ( -2.683 0.000 -3.701) 4.571 6.258 ( 5.354 0.000 6.375) 8.325 6.296 ( -2.395 0.000 2.268) 3.299 6.441 ( 1.296 0.000 10.320) 10.401 6.468 ( 0.611 0.000 -6.602) 6.631 6.616 ( 1.760 0.000 5.950) 6.204 6.690 ( 8.028 0.000 10.306) 13.064 6.870 ( -3.709 0.000 6.024) 7.074 6.980 ( -5.239 0.000 -22.666) 23.264 7.103 ( 1.444 0.000 -2.254) 2.677 7.171 ( 0.366 0.000 -0.242) 0.439 7.318 ( -4.621 0.000 -1.089) 4.748 7.369 ( 3.514 0.000 9.602) 10.225 7.412 ( 0.355 0.000 -3.912) 3.928 7.854 ( -0.664 0.000 -5.701) 5.740 7.886 ( -4.591 0.000 0.461) 4.614 8.012 ( 1.955 0.000 -7.928) 8.165 8.124 ( 9.731 0.000 -11.939) 15.403 8.425 ( -8.492 0.000 2.179) 8.767 8.490 ( 3.074 0.000 4.234) 5.232 8.518 ( -2.618 0.000 -5.891) 6.447 8.535 ( 8.145 0.000 3.854) 9.011 8.597 ( -9.704 0.000 1.130) 9.770 8.646 ( -2.900 0.000 -6.680) 7.283 8.932 ( 3.548 0.000 5.326) 6.399 8.951 ( -2.821 0.000 -1.120) 3.035 9.015 ( 7.821 0.000 -4.849) 9.202 9.098 ( -4.265 0.000 -8.625) 9.621 9.380 ( 2.058 0.000 3.132) 3.748 9.484 ( 2.820 0.000 -0.514) 2.866 9.642 ( -5.371 0.000 -0.510) 5.395 9.681 ( 1.792 0.000 0.947) 2.027 9.780 ( 1.401 0.000 7.389) 7.520 9.883 ( -4.630 0.000 -2.991) 5.513 9.968 ( -1.574 0.000 -4.518) 4.784 10.012 ( 2.040 0.000 8.812) 9.045 10.116 ( 0.416 0.000 0.832) 0.931 10.138 ( 0.833 0.000 3.195) 3.302 10.234 ( -8.261 0.000 -1.595) 8.414 10.263 ( -1.960 0.000 0.699) 2.080 10.331 ( 5.018 0.000 6.195) 7.973 10.435 ( 3.236 0.000 2.139) 3.879 10.874 ( -1.078 0.000 -4.220) 4.355 10.991 ( 3.313 0.000 10.409) 10.923 11.275 ( 7.871 0.000 10.932) 13.471 11.448 ( -5.499 0.000 -2.503) 6.041 11.490 ( -1.200 0.000 -5.420) 5.551 11.528 ( -4.332 0.000 -0.647) 4.380 11.654 ( -3.561 0.000 0.477) 3.593 11.809 ( -5.579 0.000 -7.769) 9.564 11.826 ( 0.484 0.000 5.712) 5.733 11.855 ( 0.007 0.000 -4.732) 4.732 12.125 ( 11.741 0.000 6.380) 13.363 12.310 ( -1.165 0.000 0.375) 1.224 12.314 ( 9.256 0.000 7.316) 11.798 12.326 ( -3.370 0.000 0.141) 3.373 12.746 ( -3.079 0.000 -1.892) 3.614 12.895 ( -9.338 0.000 -11.904) 15.130 13.138 ( -2.117 0.000 -5.180) 5.596 13.192 ( -4.711 0.000 -4.521) 6.529 13.333 ( 1.431 0.000 -1.602) 2.147 13.453 ( 6.148 0.000 -5.680) 8.370 13.540 ( -0.958 0.000 -1.613) 1.876 13.751 ( 8.772 0.000 -6.584) 10.968 13.817 ( -2.372 0.000 1.085) 2.608 13.831 ( 4.009 0.000 4.068) 5.711 14.184 ( -3.710 0.000 8.112) 8.921 14.259 ( 1.409 0.000 9.233) 9.339 14.342 ( -0.381 0.000 0.501) 0.630 14.447 ( -4.204 0.000 2.317) 4.800 14.503 ( -4.937 0.000 -5.234) 7.195 14.606 ( 4.754 0.000 -3.044) 5.645 14.791 ( 1.467 0.000 -5.401) 5.596 14.829 ( 7.563 0.000 4.466) 8.784 15.037 ( -2.132 0.000 4.891) 5.336 15.198 ( 2.232 0.000 -1.787) 2.859 15.348 ( 2.206 0.000 3.793) 4.388 15.573 ( 1.492 0.000 0.593) 1.606 15.639 ( -0.747 0.000 -4.553) 4.614 15.849 ( -3.336 0.000 -5.996) 6.862 16.674 ( -1.124 0.000 0.844) 1.406 16.833 ( -0.595 0.000 -3.636) 3.684 17.536 ( -1.920 0.000 1.327) 2.334 17.833 ( -1.137 0.000 -7.686) 7.770 18.138 ( 6.861 0.000 6.767) 9.637 18.638 ( -5.193 0.000 -6.988) 8.706 19.242 ( 6.478 0.000 8.408) 10.614 19.534 ( 0.244 0.000 9.001) 9.004 19.661 ( -0.902 0.000 -1.543) 1.787 20.079 ( 0.969 0.000 -11.661) 11.701 20.633 ( -14.185 0.000 10.133) 17.433 20.781 ( 5.164 0.000 2.617) 5.790 21.211 ( 2.653 0.000 3.591) 4.465 21.392 ( 8.807 0.000 4.465) 9.874 21.592 ( 2.734 0.000 -4.766) 5.494 21.716 ( -4.377 0.000 -1.494) 4.625 21.978 ( -1.450 0.000 -1.203) 1.884 22.113 ( -4.318 0.000 2.268) 4.877 22.184 ( 0.235 0.000 -0.141) 0.274 22.253 ( -2.920 0.000 -6.088) 6.753 22.398 ( 3.263 0.000 0.626) 3.322 22.398 ( 0.785 0.000 -1.709) 1.881 27.657 ( 3.271 0.000 -2.270) 3.982 27.804 ( -5.851 0.000 -8.889) 10.641 28.233 ( 2.344 0.000 8.838) 9.144 28.297 ( -2.228 0.000 0.537) 2.292 28.453 ( 0.614 0.000 2.702) 2.771 28.528 ( -1.121 0.000 -0.626) 1.284 28.650 ( -1.376 0.000 2.622) 2.961 28.762 ( -0.207 0.000 2.376) 2.385 28.772 ( -1.025 0.000 0.119) 1.031 28.821 ( 1.755 0.000 1.418) 2.256 28.998 ( 1.957 0.000 5.375) 5.720 29.328 ( -4.588 0.000 -8.867) 9.984 29.413 ( -1.220 0.000 -1.267) 1.759 29.479 ( -4.127 0.000 -4.112) 5.826 29.535 ( 4.914 0.000 4.038) 6.360 29.630 ( 2.390 0.000 3.895) 4.569 29.773 ( 3.924 0.000 6.544) 7.630 29.789 ( -0.195 0.000 -1.180) 1.196 30.143 ( 0.161 0.000 -0.541) 0.564 30.202 ( -1.407 0.000 -2.504) 2.872 30.312 ( 0.494 0.000 3.183) 3.221 30.360 ( 1.058 0.000 0.414) 1.136 30.735 ( -0.872 0.000 0.650) 1.088 30.790 ( 3.277 0.000 -0.569) 3.326 31.047 ( -8.937 0.000 -7.590) 11.726 31.157 ( 2.687 0.000 -8.500) 8.915 31.296 ( 0.575 0.000 1.292) 1.414 31.331 ( -1.718 0.000 -0.700) 1.855 31.471 ( -3.997 0.000 -3.869) 5.563 31.633 ( -1.218 0.000 -0.385) 1.277 31.653 ( 1.928 0.000 0.145) 1.933 31.696 ( 1.459 0.000 -5.241) 5.440 31.860 ( -0.622 0.000 -4.886) 4.925 31.867 ( 3.306 0.000 6.772) 7.535 32.213 ( 0.977 0.000 7.250) 7.316 32.340 ( -0.744 0.000 10.026) 10.054 32.549 ( 1.274 0.000 -2.661) 2.950 32.834 ( 3.147 0.000 -6.223) 6.974 33.022 ( -5.522 0.000 2.874) 6.225 33.156 ( 4.717 0.000 1.078) 4.839 34.498 ( 3.541 0.000 1.904) 4.021 34.671 ( -4.542 0.000 -2.330) 5.105 ======================= Grid point 50 (21/63) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 5.458 0.000 16.923) 17.781 1.105 ( -10.413 0.000 1.998) 10.603 1.250 ( 1.981 0.000 -6.907) 7.185 1.378 ( -5.700 0.000 -12.056) 13.335 1.393 ( -14.869 0.000 -18.935) 24.075 1.522 ( -0.810 0.000 -13.249) 13.274 1.681 ( -10.626 0.000 -1.557) 10.739 1.771 ( 5.678 0.000 -4.069) 6.986 1.918 ( -7.621 0.000 4.607) 8.905 1.980 ( 6.217 0.000 -7.581) 9.804 2.171 ( 8.808 0.000 0.899) 8.854 2.177 ( 5.396 0.000 2.747) 6.055 2.293 ( 2.331 0.000 0.507) 2.386 2.338 ( 4.984 0.000 -5.121) 7.145 2.349 ( 0.007 0.000 3.451) 3.451 2.452 ( -5.956 0.000 7.740) 9.767 2.527 ( -2.064 0.000 4.844) 5.265 2.582 ( -3.277 0.000 1.758) 3.719 2.599 ( -1.059 0.000 -3.099) 3.275 2.639 ( 0.175 0.000 6.214) 6.216 2.709 ( -6.515 0.000 5.433) 8.483 2.722 ( 2.065 0.000 0.848) 2.232 2.739 ( 1.905 0.000 -0.801) 2.066 2.810 ( -0.701 0.000 2.720) 2.809 2.836 ( 4.275 0.000 5.388) 6.877 3.005 ( 1.708 0.000 -5.012) 5.295 3.043 ( -0.640 0.000 1.203) 1.363 3.071 ( -3.390 0.000 -4.454) 5.598 3.080 ( -0.589 0.000 -1.072) 1.223 3.234 ( 3.069 0.000 -5.274) 6.102 3.261 ( 3.140 0.000 -5.622) 6.440 3.356 ( -4.735 0.000 -1.240) 4.895 3.429 ( 3.004 0.000 4.951) 5.791 3.461 ( -1.121 0.000 -8.901) 8.972 3.488 ( -1.874 0.000 4.571) 4.940 3.517 ( 8.374 0.000 0.713) 8.404 3.617 ( -0.241 0.000 6.715) 6.719 3.772 ( -2.817 0.000 -3.922) 4.829 3.871 ( -6.265 0.000 6.248) 8.848 3.954 ( -4.866 0.000 -3.261) 5.858 4.016 ( -7.818 0.000 1.299) 7.925 4.056 ( 5.899 0.000 1.480) 6.082 4.134 ( 3.164 0.000 0.876) 3.283 4.203 ( 1.672 0.000 -3.011) 3.444 4.299 ( 1.960 0.000 -1.867) 2.707 4.315 ( -8.484 0.000 -0.763) 8.518 4.436 ( -4.861 0.000 0.900) 4.944 4.438 ( 6.014 0.000 -7.214) 9.392 4.521 ( -0.560 0.000 10.234) 10.249 4.535 ( 7.965 0.000 -3.113) 8.552 4.682 ( 11.929 0.000 10.418) 15.838 4.751 ( 6.862 0.000 3.565) 7.733 4.804 ( 4.027 0.000 -0.381) 4.045 4.880 ( -8.823 0.000 0.666) 8.848 4.923 ( -8.417 0.000 -5.715) 10.174 5.097 ( 4.152 0.000 3.435) 5.389 5.173 ( 1.866 0.000 2.956) 3.495 5.281 ( 0.158 0.000 0.761) 0.777 5.317 ( -0.135 0.000 2.688) 2.691 5.321 ( 7.018 0.000 -3.829) 7.994 5.535 ( 2.400 0.000 2.415) 3.404 5.585 ( -0.210 0.000 -2.409) 2.418 5.713 ( 1.638 0.000 -2.603) 3.076 5.739 ( -2.027 0.000 -1.216) 2.364 5.979 ( 2.693 0.000 5.129) 5.793 6.031 ( -4.789 0.000 -0.870) 4.867 6.071 ( -5.993 0.000 5.814) 8.350 6.350 ( 1.556 0.000 7.919) 8.070 6.388 ( 4.632 0.000 1.410) 4.842 6.426 ( -5.832 0.000 -10.025) 11.598 6.505 ( 7.280 0.000 -2.081) 7.571 6.579 ( -6.957 0.000 -16.501) 17.907 6.847 ( 5.580 0.000 17.966) 18.813 6.849 ( 0.776 0.000 6.271) 6.319 6.977 ( 4.341 0.000 11.154) 11.969 7.106 ( -6.911 0.000 1.116) 7.000 7.230 ( 5.582 0.000 -8.820) 10.438 7.248 ( 5.315 0.000 2.902) 6.056 7.414 ( -3.748 0.000 -0.107) 3.749 7.435 ( -0.809 0.000 3.190) 3.291 7.713 ( -10.426 0.000 -3.588) 11.027 7.754 ( -1.608 0.000 -8.159) 8.316 7.891 ( 1.478 0.000 -14.859) 14.933 8.100 ( 4.821 0.000 -8.184) 9.499 8.278 ( -21.296 0.000 -0.442) 21.301 8.336 ( -3.260 0.000 -1.022) 3.417 8.530 ( -5.902 0.000 -2.372) 6.360 8.566 ( 1.245 0.000 2.009) 2.364 8.605 ( 7.278 0.000 -0.338) 7.286 8.739 ( 5.498 0.000 7.743) 9.497 8.818 ( -0.373 0.000 -3.250) 3.272 8.980 ( 6.817 0.000 -8.752) 11.093 9.062 ( -1.094 0.000 -2.809) 3.014 9.062 ( -2.389 0.000 3.464) 4.208 9.390 ( -6.386 0.000 7.670) 9.981 9.493 ( -2.308 0.000 -3.263) 3.997 9.674 ( 7.836 0.000 -2.563) 8.244 9.699 ( -2.157 0.000 1.434) 2.590 9.772 ( -1.290 0.000 -0.690) 1.463 9.851 ( 1.606 0.000 -1.480) 2.184 9.973 ( -4.023 0.000 3.958) 5.644 10.053 ( -2.301 0.000 4.288) 4.867 10.076 ( -2.712 0.000 2.323) 3.571 10.197 ( 2.090 0.000 0.680) 2.198 10.198 ( 4.302 0.000 2.244) 4.852 10.312 ( 8.776 0.000 1.862) 8.971 10.486 ( 5.659 0.000 5.440) 7.850 10.498 ( 3.069 0.000 -1.314) 3.338 10.889 ( 3.045 0.000 3.680) 4.777 11.087 ( -4.970 0.000 -5.041) 7.079 11.363 ( 0.046 0.000 4.909) 4.909 11.377 ( -4.312 0.000 3.304) 5.432 11.487 ( -1.430 0.000 -2.759) 3.107 11.512 ( 4.449 0.000 3.040) 5.389 11.572 ( -2.942 0.000 5.259) 6.026 11.743 ( -1.146 0.000 -0.953) 1.490 11.795 ( 0.784 0.000 -2.941) 3.044 11.896 ( 3.289 0.000 0.573) 3.339 12.211 ( -9.165 0.000 -2.961) 9.631 12.259 ( -5.630 0.000 0.825) 5.690 12.425 ( 11.346 0.000 0.883) 11.380 12.488 ( 3.990 0.000 -0.627) 4.039 12.675 ( 1.732 0.000 1.724) 2.444 12.703 ( -0.214 0.000 -1.084) 1.105 13.028 ( -8.361 0.000 -6.477) 10.576 13.075 ( 0.465 0.000 -0.915) 1.026 13.277 ( -1.137 0.000 -6.214) 6.317 13.464 ( -0.135 0.000 -1.205) 1.213 13.507 ( -2.517 0.000 -0.764) 2.630 13.773 ( 4.684 0.000 -6.955) 8.385 13.823 ( 2.716 0.000 -2.849) 3.936 13.915 ( 2.003 0.000 2.328) 3.071 14.219 ( -1.343 0.000 2.945) 3.236 14.350 ( -5.198 0.000 1.510) 5.413 14.354 ( 0.644 0.000 2.224) 2.315 14.373 ( 2.160 0.000 4.460) 4.956 14.477 ( -0.871 0.000 2.637) 2.777 14.677 ( 4.333 0.000 0.964) 4.439 14.759 ( 1.919 0.000 -4.089) 4.517 14.959 ( 6.751 0.000 -2.302) 7.132 15.033 ( -5.336 0.000 3.409) 6.331 15.202 ( 0.674 0.000 -1.224) 1.398 15.428 ( 1.878 0.000 2.362) 3.017 15.492 ( -9.788 0.000 -5.455) 11.205 15.619 ( 1.152 0.000 5.271) 5.395 15.690 ( -4.192 0.000 -11.347) 12.097 16.710 ( 4.189 0.000 1.188) 4.354 16.821 ( 5.086 0.000 -2.762) 5.788 17.526 ( -2.290 0.000 4.182) 4.768 17.714 ( -2.189 0.000 -6.463) 6.824 18.384 ( 11.640 0.000 8.981) 14.703 18.453 ( -5.909 0.000 -8.900) 10.683 19.423 ( -1.222 0.000 9.662) 9.739 19.489 ( -14.675 0.000 -6.852) 16.196 19.647 ( 3.088 0.000 8.695) 9.227 19.948 ( -1.378 0.000 -9.348) 9.449 20.497 ( -15.296 0.000 5.340) 16.201 20.884 ( 1.454 0.000 7.758) 7.893 21.328 ( 5.058 0.000 5.676) 7.603 21.530 ( -9.783 0.000 -6.092) 11.525 21.608 ( 7.620 0.000 -11.970) 14.189 21.651 ( 13.356 0.000 7.373) 15.256 22.030 ( -1.465 0.000 5.713) 5.898 22.066 ( 2.275 0.000 0.106) 2.278 22.107 ( -3.576 0.000 -5.453) 6.521 22.229 ( 3.613 0.000 -1.041) 3.760 22.396 ( 1.130 0.000 -1.418) 1.813 22.455 ( 4.234 0.000 -0.649) 4.284 27.618 ( -5.824 0.000 -7.177) 9.243 27.715 ( 5.535 0.000 0.832) 5.598 28.268 ( -3.697 0.000 2.499) 4.462 28.352 ( 2.579 0.000 4.756) 5.410 28.508 ( -0.382 0.000 -0.637) 0.743 28.508 ( 0.908 0.000 4.852) 4.936 28.659 ( -0.306 0.000 1.059) 1.102 28.767 ( -0.146 0.000 0.702) 0.717 28.781 ( -0.270 0.000 1.236) 1.265 28.825 ( -0.707 0.000 -1.679) 1.822 29.115 ( 2.163 0.000 7.992) 8.280 29.196 ( -3.760 0.000 -4.183) 5.624 29.367 ( -3.675 0.000 -4.288) 5.647 29.420 ( 2.678 0.000 1.543) 3.091 29.672 ( 5.788 0.000 4.534) 7.353 29.702 ( 2.558 0.000 -0.173) 2.564 29.783 ( 1.307 0.000 -0.332) 1.349 29.848 ( 2.100 0.000 -1.608) 2.645 30.149 ( -2.043 0.000 -2.065) 2.905 30.164 ( 3.162 0.000 0.323) 3.178 30.299 ( -8.185 0.000 0.669) 8.213 30.315 ( -3.816 0.000 0.399) 3.837 30.687 ( -5.888 0.000 2.123) 6.259 30.804 ( -11.913 0.000 -6.754) 13.695 30.958 ( 14.602 0.000 2.904) 14.888 31.125 ( 7.509 0.000 -7.845) 10.860 31.212 ( -7.129 0.000 -1.764) 7.344 31.345 ( 0.742 0.000 2.826) 2.922 31.399 ( -2.383 0.000 -4.143) 4.780 31.599 ( 2.072 0.000 -5.763) 6.124 31.654 ( -2.136 0.000 -1.060) 2.385 31.688 ( 0.446 0.000 2.714) 2.751 31.797 ( -2.049 0.000 -1.420) 2.493 31.955 ( 2.730 0.000 0.481) 2.772 32.342 ( 0.578 0.000 12.020) 12.034 32.423 ( -1.658 0.000 6.937) 7.132 32.554 ( 2.683 0.000 -2.099) 3.406 32.800 ( 5.133 0.000 -10.269) 11.480 32.968 ( -5.465 0.000 0.990) 5.554 33.247 ( 5.146 0.000 0.712) 5.195 34.530 ( -7.901 0.000 -4.358) 9.024 34.594 ( 3.537 0.000 5.854) 6.840 ======================= Grid point 51 (22/63) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -21.564 0.000 -20.449) 29.718 0.840 ( -21.918 0.000 -2.547) 22.066 1.077 ( 1.749 0.000 9.933) 10.086 1.123 ( -5.918 0.000 -4.824) 7.635 1.296 ( -2.042 0.000 -0.755) 2.177 1.369 ( -5.361 0.000 -0.150) 5.363 1.488 ( -1.773 0.000 -4.529) 4.864 1.523 ( -19.537 0.000 -9.176) 21.585 1.813 ( -8.110 0.000 -0.285) 8.116 1.989 ( 6.002 0.000 -6.754) 9.036 2.027 ( -9.717 0.000 -4.726) 10.805 2.255 ( 7.413 0.000 -0.221) 7.416 2.382 ( -2.633 0.000 -0.038) 2.633 2.391 ( -1.792 0.000 2.246) 2.873 2.399 ( -1.833 0.000 -3.023) 3.535 2.493 ( -0.446 0.000 -0.456) 0.638 2.522 ( 1.411 0.000 1.900) 2.367 2.548 ( -7.888 0.000 2.879) 8.397 2.619 ( 8.784 0.000 -1.229) 8.869 2.698 ( -0.077 0.000 1.441) 1.443 2.723 ( 0.641 0.000 6.687) 6.717 2.803 ( 2.829 0.000 5.444) 6.135 2.869 ( -3.162 0.000 0.065) 3.162 2.923 ( -1.980 0.000 -3.583) 4.094 2.930 ( 8.615 0.000 3.774) 9.406 2.964 ( 7.490 0.000 5.020) 9.016 2.983 ( -2.041 0.000 2.233) 3.025 3.077 ( 3.175 0.000 -0.437) 3.205 3.184 ( 9.511 0.000 4.644) 10.584 3.214 ( 2.518 0.000 -3.660) 4.442 3.223 ( -3.823 0.000 -4.261) 5.725 3.292 ( 11.564 0.000 -0.534) 11.576 3.386 ( 0.426 0.000 -3.510) 3.536 3.478 ( -0.022 0.000 -5.849) 5.849 3.516 ( -2.282 0.000 3.701) 4.348 3.585 ( 2.920 0.000 2.872) 4.096 3.624 ( -3.098 0.000 0.575) 3.151 3.751 ( -7.725 0.000 -7.079) 10.478 3.835 ( -6.472 0.000 4.187) 7.708 3.846 ( 5.667 0.000 11.215) 12.565 4.019 ( -1.769 0.000 6.186) 6.434 4.080 ( 1.583 0.000 -2.671) 3.105 4.160 ( 2.013 0.000 3.842) 4.337 4.266 ( -3.825 0.000 -2.777) 4.727 4.292 ( 0.116 0.000 -0.826) 0.835 4.311 ( 11.814 0.000 -5.413) 12.995 4.336 ( -4.681 0.000 0.659) 4.727 4.361 ( -3.961 0.000 -0.113) 3.963 4.611 ( -0.572 0.000 -11.592) 11.606 4.617 ( -2.307 0.000 6.401) 6.804 4.768 ( -4.077 0.000 1.818) 4.464 4.768 ( 12.474 0.000 -0.646) 12.491 4.919 ( 9.627 0.000 -0.003) 9.627 4.951 ( 1.692 0.000 9.518) 9.668 4.959 ( 7.597 0.000 -1.668) 7.778 5.064 ( -1.919 0.000 -9.731) 9.918 5.241 ( -5.729 0.000 0.553) 5.756 5.319 ( 1.250 0.000 10.622) 10.695 5.373 ( 3.627 0.000 10.445) 11.057 5.373 ( 4.819 0.000 1.383) 5.013 5.501 ( 0.114 0.000 -11.913) 11.914 5.609 ( 0.271 0.000 -5.377) 5.384 5.680 ( -2.160 0.000 -0.542) 2.227 5.692 ( 3.520 0.000 -0.740) 3.597 6.006 ( 2.068 0.000 -0.663) 2.172 6.064 ( -3.783 0.000 8.824) 9.601 6.136 ( -10.101 0.000 -4.925) 11.238 6.177 ( 1.329 0.000 13.888) 13.952 6.344 ( -6.354 0.000 -7.399) 9.753 6.474 ( 2.890 0.000 8.151) 8.648 6.477 ( 4.510 0.000 -5.294) 6.955 6.559 ( 4.105 0.000 -1.510) 4.374 6.868 ( -5.280 0.000 -3.785) 6.496 6.989 ( -7.650 0.000 3.475) 8.402 7.060 ( 1.908 0.000 -2.303) 2.991 7.084 ( 2.843 0.000 4.588) 5.397 7.164 ( -0.654 0.000 -10.357) 10.378 7.344 ( -3.256 0.000 -2.229) 3.945 7.459 ( 10.608 0.000 7.601) 13.050 7.466 ( -1.764 0.000 0.895) 1.978 7.573 ( 0.964 0.000 -0.199) 0.984 7.650 ( 1.761 0.000 0.854) 1.957 7.815 ( 3.419 0.000 -6.118) 7.009 7.926 ( -21.399 0.000 2.143) 21.506 8.156 ( 7.258 0.000 -5.002) 8.815 8.280 ( -2.989 0.000 1.690) 3.434 8.407 ( -7.599 0.000 -1.275) 7.705 8.592 ( -4.660 0.000 6.179) 7.739 8.694 ( 1.834 0.000 -2.271) 2.919 8.818 ( 0.720 0.000 -2.580) 2.679 8.869 ( 2.040 0.000 4.341) 4.797 8.969 ( 2.668 0.000 -7.755) 8.201 9.003 ( -1.070 0.000 2.447) 2.670 9.024 ( -0.521 0.000 1.783) 1.857 9.319 ( -6.623 0.000 -8.203) 10.543 9.414 ( -2.887 0.000 4.839) 5.634 9.706 ( 3.444 0.000 -4.283) 5.496 9.746 ( 1.355 0.000 6.242) 6.388 9.829 ( 4.553 0.000 3.769) 5.911 9.832 ( -8.240 0.000 -0.617) 8.263 9.925 ( 5.806 0.000 2.290) 6.241 10.060 ( -0.391 0.000 -0.074) 0.398 10.174 ( 2.166 0.000 5.857) 6.245 10.207 ( -0.229 0.000 -1.646) 1.662 10.373 ( 9.688 0.000 5.086) 10.942 10.453 ( 6.086 0.000 -0.670) 6.122 10.490 ( 1.075 0.000 -4.151) 4.288 10.613 ( 5.634 0.000 1.516) 5.834 10.875 ( -5.703 0.000 -7.947) 9.781 11.006 ( 4.612 0.000 3.964) 6.082 11.386 ( -3.480 0.000 -5.999) 6.936 11.402 ( -3.118 0.000 10.807) 11.248 11.464 ( -1.740 0.000 0.592) 1.838 11.528 ( 0.446 0.000 12.326) 12.334 11.703 ( -0.245 0.000 8.772) 8.776 11.751 ( 7.719 0.000 -2.071) 7.992 11.784 ( -3.815 0.000 -0.870) 3.913 11.920 ( -0.269 0.000 -5.006) 5.013 12.065 ( -1.777 0.000 -2.551) 3.109 12.103 ( -9.718 0.000 -4.528) 10.721 12.425 ( -2.753 0.000 -5.362) 6.027 12.483 ( 10.829 0.000 -4.411) 11.692 12.755 ( -12.051 0.000 2.274) 12.264 12.899 ( 8.073 0.000 1.118) 8.150 12.907 ( 10.490 0.000 8.577) 13.550 13.161 ( 5.654 0.000 7.534) 9.420 13.186 ( -1.819 0.000 -4.985) 5.306 13.418 ( -4.827 0.000 0.053) 4.828 13.442 ( -5.214 0.000 -0.078) 5.214 13.703 ( -9.338 0.000 -0.214) 9.341 13.766 ( 7.636 0.000 -20.384) 21.768 13.951 ( 1.677 0.000 -0.195) 1.688 14.257 ( 1.956 0.000 4.322) 4.744 14.356 ( 0.525 0.000 3.408) 3.448 14.406 ( 1.978 0.000 3.193) 3.756 14.439 ( 1.514 0.000 2.194) 2.666 14.502 ( -0.690 0.000 3.158) 3.232 14.725 ( 1.849 0.000 -0.372) 1.886 14.737 ( 0.603 0.000 -4.421) 4.462 14.902 ( 2.636 0.000 -23.900) 24.045 14.967 ( -6.885 0.000 2.135) 7.209 15.169 ( -5.100 0.000 -3.374) 6.115 15.280 ( -9.587 0.000 -0.695) 9.612 15.452 ( -0.800 0.000 1.273) 1.503 15.505 ( -3.358 0.000 -6.359) 7.191 15.712 ( 1.062 0.000 5.806) 5.902 16.817 ( 6.719 0.000 2.643) 7.220 16.928 ( 11.182 0.000 -0.344) 11.187 17.569 ( -1.402 0.000 6.467) 6.617 17.627 ( -1.546 0.000 -4.569) 4.824 18.276 ( -4.107 0.000 -8.225) 9.193 18.649 ( 10.057 0.000 6.391) 11.916 19.163 ( -14.236 0.000 -6.812) 15.782 19.395 ( -8.738 0.000 2.002) 8.964 19.782 ( -7.713 0.000 -8.437) 11.432 19.834 ( 4.623 0.000 8.990) 10.109 20.334 ( -12.391 0.000 2.893) 12.725 21.016 ( 2.752 0.000 8.410) 8.849 21.310 ( -6.953 0.000 -6.236) 9.340 21.462 ( 3.473 0.000 4.733) 5.871 21.519 ( 0.589 0.000 -13.391) 13.404 21.894 ( 8.844 0.000 3.921) 9.675 22.026 ( 0.965 0.000 -3.066) 3.214 22.047 ( 0.629 0.000 3.482) 3.538 22.196 ( 5.276 0.000 5.155) 7.376 22.285 ( 3.779 0.000 0.930) 3.892 22.398 ( 1.372 0.000 -1.141) 1.784 22.505 ( 4.751 0.000 -2.316) 5.285 27.480 ( -4.341 0.000 -2.955) 5.251 27.829 ( 6.052 0.000 2.997) 6.753 28.269 ( -3.501 0.000 8.269) 8.979 28.419 ( 2.176 0.000 1.179) 2.475 28.498 ( 0.171 0.000 -1.300) 1.311 28.594 ( 2.234 0.000 5.526) 5.960 28.674 ( -0.589 0.000 3.794) 3.839 28.785 ( -0.428 0.000 0.837) 0.941 28.785 ( -0.151 0.000 1.142) 1.152 28.794 ( 1.057 0.000 -1.846) 2.127 29.086 ( -5.202 0.000 -3.853) 6.474 29.179 ( -0.765 0.000 -2.597) 2.708 29.332 ( 0.952 0.000 5.555) 5.636 29.525 ( 5.923 0.000 4.745) 7.589 29.639 ( -1.218 0.000 -11.097) 11.164 29.780 ( 1.397 0.000 -0.325) 1.434 29.824 ( 5.275 0.000 -5.613) 7.703 29.836 ( 2.052 0.000 2.143) 2.967 30.069 ( -7.601 0.000 -1.871) 7.828 30.177 ( -7.313 0.000 0.489) 7.330 30.238 ( -0.700 0.000 -3.468) 3.538 30.252 ( 3.834 0.000 3.432) 5.146 30.544 ( -14.429 0.000 -3.428) 14.830 30.669 ( -3.800 0.000 8.166) 9.007 31.108 ( -1.165 0.000 0.740) 1.380 31.198 ( 9.180 0.000 -1.247) 9.265 31.211 ( 4.385 0.000 1.045) 4.508 31.338 ( 3.711 0.000 0.192) 3.716 31.350 ( -2.900 0.000 0.448) 2.934 31.571 ( 1.382 0.000 -3.392) 3.663 31.614 ( 0.093 0.000 -2.071) 2.073 31.714 ( -1.237 0.000 2.577) 2.858 31.791 ( -1.963 0.000 6.268) 6.568 31.968 ( 0.343 0.000 -1.942) 1.972 32.458 ( -0.971 0.000 2.475) 2.659 32.472 ( -0.044 0.000 6.123) 6.124 32.579 ( 2.901 0.000 1.086) 3.098 32.705 ( 5.522 0.000 -23.950) 24.578 32.881 ( -7.711 0.000 2.712) 8.174 33.312 ( 4.076 0.000 -1.163) 4.239 34.367 ( -7.605 0.000 -2.871) 8.129 34.737 ( 4.217 0.000 7.828) 8.891 ======================= Grid point 52 (23/63) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -16.278 0.000 29.496) 33.690 0.523 ( -24.809 0.000 14.628) 28.801 0.744 ( -41.232 0.000 5.337) 41.576 0.902 ( -16.245 0.000 1.473) 16.312 1.251 ( -3.749 0.000 3.069) 4.845 1.355 ( 3.021 0.000 4.144) 5.128 1.598 ( 15.660 0.000 3.946) 16.149 1.644 ( 11.921 0.000 11.348) 16.458 1.673 ( -5.055 0.000 -4.283) 6.626 1.941 ( -0.581 0.000 0.967) 1.128 2.036 ( 0.465 0.000 5.616) 5.635 2.138 ( -7.054 0.000 -6.214) 9.401 2.336 ( -0.485 0.000 -1.571) 1.644 2.412 ( 0.715 0.000 -0.281) 0.768 2.443 ( -2.715 0.000 -3.633) 4.536 2.446 ( 8.458 0.000 -0.736) 8.490 2.485 ( -3.932 0.000 2.401) 4.607 2.603 ( 1.788 0.000 0.892) 1.999 2.632 ( -4.447 0.000 -4.507) 6.331 2.685 ( -2.745 0.000 -0.166) 2.750 2.713 ( 0.989 0.000 -0.935) 1.360 2.796 ( -2.864 0.000 -9.776) 10.187 2.844 ( -6.530 0.000 1.946) 6.814 2.895 ( 3.640 0.000 -0.385) 3.661 2.930 ( 2.508 0.000 -1.256) 2.805 3.002 ( 2.625 0.000 -1.496) 3.021 3.072 ( 0.828 0.000 -0.681) 1.072 3.151 ( 1.681 0.000 -1.375) 2.172 3.159 ( -1.794 0.000 6.150) 6.406 3.172 ( 3.689 0.000 1.846) 4.125 3.355 ( 0.254 0.000 -4.150) 4.158 3.384 ( -2.724 0.000 -3.067) 4.102 3.437 ( 3.652 0.000 -2.967) 4.705 3.448 ( 9.112 0.000 0.380) 9.120 3.499 ( -5.747 0.000 8.361) 10.146 3.579 ( 1.761 0.000 -3.176) 3.632 3.636 ( 0.033 0.000 -2.421) 2.421 3.818 ( 10.226 0.000 -1.046) 10.280 3.825 ( -0.991 0.000 5.214) 5.307 4.022 ( -2.114 0.000 -2.314) 3.134 4.065 ( -7.032 0.000 2.668) 7.521 4.098 ( -3.484 0.000 -2.778) 4.456 4.114 ( 2.799 0.000 12.609) 12.916 4.179 ( -2.111 0.000 1.853) 2.809 4.258 ( -1.307 0.000 -0.276) 1.336 4.307 ( -0.801 0.000 -0.461) 0.924 4.363 ( 4.104 0.000 6.059) 7.318 4.436 ( 7.323 0.000 -1.670) 7.511 4.603 ( -4.597 0.000 2.006) 5.016 4.676 ( 13.189 0.000 2.814) 13.486 4.762 ( 2.149 0.000 -0.387) 2.184 4.792 ( -3.943 0.000 -6.114) 7.275 4.916 ( -4.949 0.000 -6.448) 8.128 4.956 ( -1.956 0.000 -4.967) 5.339 4.973 ( 1.423 0.000 -8.142) 8.266 5.034 ( 9.906 0.000 -4.792) 11.005 5.172 ( -0.715 0.000 -2.437) 2.539 5.300 ( -2.007 0.000 -3.920) 4.403 5.429 ( 0.362 0.000 -0.502) 0.619 5.460 ( -0.484 0.000 2.296) 2.346 5.569 ( -1.717 0.000 1.743) 2.447 5.579 ( 6.368 0.000 -1.443) 6.529 5.698 ( -0.513 0.000 -6.195) 6.217 5.764 ( 5.465 0.000 18.451) 19.244 6.029 ( 1.646 0.000 0.860) 1.858 6.051 ( -3.743 0.000 -0.898) 3.849 6.072 ( 0.374 0.000 0.799) 0.883 6.207 ( -8.845 0.000 -0.459) 8.857 6.230 ( -0.741 0.000 -0.847) 1.125 6.516 ( 8.403 0.000 0.424) 8.414 6.615 ( -2.981 0.000 -1.425) 3.304 6.652 ( 3.455 0.000 6.764) 7.595 6.714 ( -2.913 0.000 2.352) 3.744 6.821 ( -5.341 0.000 -7.244) 9.000 7.071 ( 3.613 0.000 0.301) 3.626 7.074 ( 2.068 0.000 -0.126) 2.071 7.245 ( 3.678 0.000 -1.526) 3.982 7.246 ( -5.598 0.000 -9.241) 10.804 7.286 ( 1.757 0.000 3.581) 3.989 7.615 ( -3.008 0.000 -2.102) 3.670 7.675 ( -15.256 0.000 1.412) 15.321 7.683 ( 0.542 0.000 3.539) 3.580 7.833 ( 8.923 0.000 11.835) 14.822 7.907 ( 11.883 0.000 5.754) 13.203 8.200 ( 7.164 0.000 -6.820) 9.891 8.217 ( -10.561 0.000 -0.757) 10.588 8.396 ( 4.219 0.000 7.483) 8.590 8.448 ( -8.185 0.000 -6.241) 10.293 8.654 ( -7.085 0.000 2.391) 7.477 8.773 ( -2.628 0.000 -0.774) 2.739 8.877 ( -2.707 0.000 1.348) 3.024 9.015 ( -0.163 0.000 5.075) 5.078 9.067 ( -1.928 0.000 2.762) 3.368 9.069 ( 9.910 0.000 -0.764) 9.939 9.212 ( -0.010 0.000 0.278) 0.278 9.392 ( -2.644 0.000 -1.230) 2.916 9.716 ( 1.022 0.000 -2.513) 2.712 9.745 ( -2.636 0.000 -1.650) 3.110 9.845 ( 1.019 0.000 5.001) 5.104 9.953 ( 4.530 0.000 3.933) 6.000 10.029 ( 4.390 0.000 0.543) 4.424 10.040 ( -0.069 0.000 -2.548) 2.548 10.142 ( -3.331 0.000 -3.438) 4.787 10.238 ( 0.493 0.000 0.137) 0.512 10.435 ( 2.280 0.000 -5.340) 5.806 10.476 ( 1.216 0.000 -3.386) 3.598 10.509 ( 2.358 0.000 2.660) 3.555 10.648 ( 1.311 0.000 -6.812) 6.937 10.801 ( -0.363 0.000 1.500) 1.543 11.101 ( 7.695 0.000 -2.064) 7.967 11.275 ( -1.584 0.000 -4.560) 4.828 11.472 ( 1.657 0.000 1.131) 2.006 11.593 ( -7.393 0.000 -0.749) 7.431 11.633 ( 3.231 0.000 17.392) 17.689 11.673 ( 0.205 0.000 -0.509) 0.549 11.703 ( -8.989 0.000 -9.520) 13.093 11.834 ( 4.564 0.000 8.779) 9.894 11.942 ( 15.732 0.000 1.152) 15.774 11.980 ( -6.149 0.000 0.167) 6.151 12.106 ( 3.549 0.000 3.327) 4.865 12.320 ( -4.769 0.000 -2.935) 5.600 12.551 ( -12.746 0.000 1.351) 12.818 12.705 ( 19.544 0.000 -0.886) 19.564 13.098 ( 0.698 0.000 3.411) 3.482 13.119 ( 6.517 0.000 0.248) 6.522 13.120 ( 7.370 0.000 8.258) 11.068 13.259 ( -5.821 0.000 0.589) 5.851 13.362 ( -7.209 0.000 2.452) 7.615 13.362 ( -2.068 0.000 -0.709) 2.186 13.474 ( -6.610 0.000 -13.484) 15.017 13.581 ( -7.448 0.000 -4.260) 8.581 13.966 ( 1.676 0.000 -1.720) 2.402 14.332 ( -10.688 0.000 -20.430) 23.057 14.375 ( 5.587 0.000 6.459) 8.540 14.467 ( -1.447 0.000 2.096) 2.547 14.481 ( 4.072 0.000 1.535) 4.352 14.512 ( -3.397 0.000 0.900) 3.514 14.544 ( 3.954 0.000 3.066) 5.004 14.635 ( -4.561 0.000 -5.290) 6.985 14.751 ( 2.726 0.000 -1.488) 3.106 14.921 ( -3.039 0.000 2.976) 4.253 14.965 ( -11.256 0.000 -2.591) 11.550 15.320 ( 6.558 0.000 10.570) 12.439 15.444 ( -1.432 0.000 0.355) 1.476 15.458 ( -0.435 0.000 0.609) 0.749 15.766 ( -1.372 0.000 3.503) 3.762 16.941 ( 4.365 0.000 2.657) 5.110 17.100 ( 11.433 0.000 -1.148) 11.490 17.452 ( -11.924 0.000 -18.274) 21.820 17.587 ( -5.569 0.000 2.886) 6.272 18.169 ( 0.455 0.000 -1.309) 1.386 18.703 ( -4.518 0.000 -2.663) 5.245 19.092 ( 6.277 0.000 3.745) 7.309 19.272 ( -7.301 0.000 -1.639) 7.483 19.545 ( -9.232 0.000 -6.944) 11.552 19.929 ( -0.472 0.000 2.027) 2.081 20.224 ( -6.688 0.000 2.979) 7.322 21.078 ( -0.930 0.000 -4.224) 4.325 21.227 ( -1.219 0.000 -1.473) 1.912 21.478 ( 9.059 0.000 7.866) 11.997 21.515 ( -0.381 0.000 0.487) 0.618 21.990 ( 4.068 0.000 -0.722) 4.132 22.071 ( 1.864 0.000 2.953) 3.492 22.096 ( -0.149 0.000 2.103) 2.108 22.296 ( 2.115 0.000 1.666) 2.693 22.347 ( 1.772 0.000 1.780) 2.511 22.422 ( 2.056 0.000 0.690) 2.168 22.539 ( 4.757 0.000 -3.710) 6.033 27.431 ( -1.916 0.000 2.786) 3.381 27.929 ( 2.937 0.000 1.939) 3.519 28.353 ( 1.850 0.000 0.475) 1.910 28.460 ( 2.009 0.000 0.145) 2.014 28.472 ( 0.070 0.000 -2.601) 2.602 28.657 ( 2.756 0.000 -1.141) 2.983 28.739 ( -4.945 0.000 -8.381) 9.732 28.776 ( -0.327 0.000 -0.488) 0.588 28.778 ( -0.169 0.000 0.842) 0.859 28.840 ( 3.792 0.000 0.528) 3.828 28.960 ( -4.478 0.000 -4.153) 6.107 29.291 ( 16.608 0.000 36.018) 39.663 29.429 ( -0.790 0.000 -0.898) 1.196 29.472 ( -1.510 0.000 -2.312) 2.761 29.668 ( 4.570 0.000 -2.206) 5.075 29.708 ( 0.636 0.000 -0.995) 1.181 29.786 ( -4.317 0.000 -11.100) 11.910 29.926 ( 8.760 0.000 1.219) 8.845 29.940 ( -5.714 0.000 3.696) 6.805 30.082 ( -5.641 0.000 0.235) 5.646 30.242 ( 2.403 0.000 0.105) 2.405 30.312 ( -12.505 0.000 2.026) 12.668 30.347 ( 1.646 0.000 0.029) 1.646 30.833 ( 8.865 0.000 19.393) 21.323 31.122 ( 0.036 0.000 -0.059) 0.069 31.172 ( -4.084 0.000 4.048) 5.750 31.291 ( -2.336 0.000 -2.391) 3.343 31.343 ( 6.097 0.000 3.897) 7.236 31.509 ( 10.069 0.000 1.957) 10.258 31.558 ( 0.016 0.000 -0.584) 0.585 31.624 ( 2.519 0.000 0.557) 2.580 31.710 ( -3.094 0.000 1.689) 3.525 31.879 ( -2.700 0.000 -5.890) 6.479 31.928 ( -1.918 0.000 -1.879) 2.685 32.240 ( -13.982 0.000 -27.847) 31.160 32.456 ( 0.240 0.000 -7.009) 7.013 32.467 ( -0.235 0.000 1.836) 1.851 32.669 ( 0.232 0.000 7.277) 7.281 32.894 ( 1.583 0.000 12.256) 12.358 33.345 ( 2.955 0.000 -1.793) 3.457 34.255 ( -4.293 0.000 -0.546) 4.328 34.794 ( -4.479 0.000 -12.492) 13.270 ======================= Grid point 53 (24/63) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.088 29.204 6.689) 29.960 0.889 ( 0.365 9.890 19.441) 21.815 1.227 ( 5.195 27.442 10.742) 29.924 1.285 ( 3.151 2.052 7.867) 8.719 1.358 ( -3.913 10.713 3.758) 12.009 1.519 ( -2.815 5.166 -1.407) 6.049 1.628 ( -0.949 10.646 4.215) 11.489 1.796 ( -1.983 9.841 3.368) 10.588 1.892 ( -1.915 9.856 3.875) 10.762 2.064 ( -2.834 -3.855 4.635) 6.662 2.214 ( 6.307 -4.224 -1.190) 7.684 2.299 ( 1.972 0.896 6.014) 6.392 2.325 ( -4.718 12.449 6.796) 14.947 2.351 ( 2.074 6.709 1.899) 7.275 2.391 ( -0.483 0.368 -1.732) 1.836 2.475 ( 3.482 0.740 -0.463) 3.590 2.542 ( 3.721 -3.316 -1.374) 5.170 2.579 ( 4.223 1.416 -4.029) 6.006 2.623 ( -3.741 1.638 3.285) 5.241 2.668 ( -2.436 0.986 -1.920) 3.255 2.709 ( 0.259 1.289 -3.763) 3.986 2.762 ( -0.643 6.579 -1.998) 6.906 2.816 ( 2.921 -1.869 0.833) 3.566 2.875 ( -5.448 0.271 -1.928) 5.785 2.902 ( 0.544 5.647 3.326) 6.577 2.973 ( 3.528 -1.258 -0.958) 3.866 3.052 ( -2.281 -4.614 5.608) 7.612 3.134 ( 3.416 0.322 -0.418) 3.457 3.199 ( -1.442 3.162 -0.946) 3.602 3.250 ( 0.931 1.715 -0.384) 1.989 3.354 ( -3.365 -5.824 3.720) 7.686 3.394 ( 1.413 -1.691 0.741) 2.325 3.416 ( -0.442 7.358 1.149) 7.460 3.475 ( 3.335 1.285 -2.120) 4.156 3.564 ( 1.309 0.011 -2.340) 2.681 3.623 ( -5.931 4.052 2.234) 7.523 3.649 ( 7.197 1.092 1.798) 7.498 3.679 ( -2.269 1.514 -2.536) 3.725 3.840 ( -3.069 -1.664 3.182) 4.724 3.935 ( -0.387 6.720 -8.698) 10.999 3.947 ( 1.145 -5.599 4.213) 7.100 4.065 ( -2.065 -2.230 -0.847) 3.155 4.157 ( -1.960 -6.515 -5.093) 8.499 4.161 ( -3.733 -3.927 2.785) 6.092 4.259 ( -2.493 0.989 -5.683) 6.284 4.372 ( -3.322 -3.189 -3.817) 5.981 4.443 ( -2.063 0.777 2.489) 3.325 4.503 ( -3.311 4.805 -0.086) 5.836 4.563 ( -5.297 1.206 -1.422) 5.616 4.652 ( 1.881 -4.581 -5.115) 7.120 4.714 ( -0.403 -1.710 2.590) 3.129 4.810 ( 1.005 -4.198 -4.974) 6.586 4.875 ( 2.730 0.383 3.264) 4.273 4.951 ( 7.147 -2.138 5.156) 9.068 5.006 ( 2.115 6.098 1.077) 6.543 5.123 ( 1.035 -3.054 -0.179) 3.229 5.151 ( 3.152 1.515 -3.242) 4.768 5.270 ( 2.364 -0.006 0.316) 2.385 5.304 ( 0.157 -7.363 -0.755) 7.403 5.360 ( 1.600 -3.374 -1.390) 3.984 5.432 ( 1.550 -9.151 -5.797) 10.943 5.563 ( -3.812 -12.745 -8.019) 15.533 5.628 ( -2.948 0.821 -0.936) 3.200 5.810 ( 5.905 5.067 -5.799) 9.704 5.875 ( 6.635 -2.407 -0.927) 7.118 5.926 ( -1.191 -5.076 -2.434) 5.754 6.021 ( -1.473 -1.414 -1.148) 2.343 6.042 ( -6.893 -2.968 -4.221) 8.611 6.185 ( 2.262 -5.586 1.330) 6.171 6.419 ( -2.526 -18.369 2.106) 18.661 6.478 ( -5.908 -3.493 -5.397) 8.731 6.573 ( -1.585 0.937 -4.132) 4.524 6.697 ( 3.009 -6.469 0.492) 7.152 6.778 ( -2.249 -5.759 -7.911) 10.041 7.057 ( 3.134 3.798 5.973) 7.741 7.095 ( 5.729 -2.166 7.994) 10.071 7.185 ( 5.383 3.579 2.700) 7.005 7.351 ( -9.993 1.433 -2.579) 10.420 7.412 ( -0.609 0.897 -3.745) 3.899 7.548 ( -2.020 1.652 -2.605) 3.687 7.607 ( 9.197 0.604 7.297) 11.756 7.784 ( -1.390 2.550 4.042) 4.977 7.838 ( -9.532 -1.357 -0.451) 9.638 8.028 ( -6.220 -5.110 5.305) 9.641 8.125 ( 5.553 2.000 -4.338) 7.324 8.263 ( -8.759 -5.591 3.445) 10.948 8.272 ( 10.184 1.003 -0.324) 10.239 8.513 ( -4.020 -3.192 0.231) 5.138 8.582 ( 3.205 1.191 0.301) 3.433 8.680 ( 1.476 -3.246 -1.149) 3.746 8.836 ( 2.670 6.718 6.368) 9.634 9.118 ( -3.005 6.288 -1.302) 7.090 9.175 ( -2.437 4.897 -0.354) 5.481 9.284 ( 4.310 -3.661 3.098) 6.448 9.344 ( -1.235 7.905 0.668) 8.029 9.419 ( -0.968 6.895 5.517) 8.883 9.633 ( 1.769 3.445 4.237) 5.740 9.739 ( 0.304 -1.046 1.118) 1.561 9.827 ( -6.103 -2.297 -1.050) 6.606 9.957 ( -1.757 2.827 -4.102) 5.282 10.015 ( 1.759 -4.875 2.379) 5.703 10.065 ( -0.219 1.489 -2.900) 3.267 10.095 ( 3.693 -1.942 2.341) 4.784 10.155 ( -0.391 -1.492 -1.655) 2.262 10.428 ( -1.766 -0.521 -8.823) 9.013 10.482 ( 1.965 -1.525 -4.791) 5.398 10.578 ( -1.969 2.632 1.160) 3.485 10.622 ( 2.360 2.711 -2.508) 4.382 10.992 ( 1.530 9.314 2.808) 9.847 11.152 ( -0.827 3.169 -3.366) 4.697 11.245 ( 5.387 -1.994 0.637) 5.779 11.269 ( -12.154 -3.970 -0.450) 12.793 11.499 ( -0.322 6.640 -5.564) 8.669 11.513 ( -2.607 5.150 -4.337) 7.220 11.613 ( -0.154 4.872 -5.238) 7.155 11.801 ( -1.773 1.299 -6.211) 6.589 11.903 ( 3.268 1.531 4.296) 5.610 11.962 ( 4.807 -2.718 8.173) 9.864 12.183 ( -2.038 4.289 -2.445) 5.342 12.223 ( -4.568 1.667 -2.061) 5.282 12.391 ( 2.068 8.008 1.675) 8.439 12.535 ( 3.446 0.533 7.661) 8.417 12.869 ( 8.734 1.421 -3.357) 9.464 13.005 ( -13.941 0.474 -3.074) 14.284 13.054 ( -5.473 -0.920 -3.697) 6.668 13.181 ( -8.214 -4.701 -3.461) 10.077 13.213 ( 3.616 -1.990 1.078) 4.266 13.267 ( 3.262 -2.431 3.285) 5.229 13.333 ( -2.267 2.635 2.442) 4.248 13.498 ( 2.649 0.845 -0.030) 2.781 13.701 ( 2.267 -12.205 0.861) 12.443 13.754 ( 15.973 -14.359 7.844) 22.866 14.264 ( -2.525 7.465 2.222) 8.188 14.388 ( -4.788 -1.774 -2.576) 5.720 14.432 ( 0.076 0.122 -4.198) 4.200 14.493 ( -2.362 -2.274 2.250) 3.977 14.565 ( 1.749 -3.564 -0.258) 3.979 14.592 ( 3.446 -3.310 -1.243) 4.938 14.644 ( -5.192 -0.150 4.906) 7.145 14.796 ( 7.219 0.823 2.312) 7.625 14.884 ( -2.449 -4.803 2.207) 5.825 14.952 ( 16.106 -4.544 5.197) 17.523 15.410 ( 1.782 0.426 -0.064) 1.833 15.461 ( 0.641 -3.255 7.602) 8.294 15.562 ( -3.282 5.211 0.141) 6.161 15.750 ( -3.865 -1.172 0.382) 4.057 17.014 ( -1.783 2.428 1.732) 3.474 17.114 ( 0.723 -2.135 0.129) 2.258 17.279 ( 4.249 4.175 0.022) 5.957 17.445 ( -4.240 -2.469 -3.830) 6.224 18.279 ( -0.340 5.241 3.176) 6.138 18.599 ( 0.603 -5.378 -2.869) 6.125 19.100 ( -3.630 -0.689 -0.102) 3.696 19.183 ( 4.003 -3.044 1.410) 5.223 19.567 ( 6.044 2.559 2.675) 7.087 19.763 ( -3.300 -6.176 -2.171) 7.331 20.360 ( -2.034 10.781 0.448) 10.980 20.837 ( -4.123 -7.289 -13.746) 16.096 21.245 ( 2.946 0.299 5.128) 5.921 21.351 ( 2.673 -5.898 5.099) 8.242 21.826 ( 0.838 6.098 5.828) 8.477 21.988 ( -3.781 -1.911 -1.774) 4.593 22.047 ( 1.445 -0.734 1.582) 2.265 22.137 ( -0.654 -1.767 -0.018) 1.885 22.358 ( -1.765 3.832 0.692) 4.275 22.407 ( 2.033 2.430 -0.284) 3.181 22.432 ( -1.538 0.151 1.452) 2.121 22.556 ( 1.946 -1.111 -1.484) 2.688 27.593 ( 0.217 7.463 6.946) 10.197 27.968 ( -7.343 -3.674 1.941) 8.437 28.061 ( 1.463 -0.721 5.507) 5.744 28.325 ( -1.122 -6.944 -2.079) 7.335 28.557 ( 1.418 2.774 -7.064) 7.720 28.612 ( 6.411 1.108 -9.103) 11.189 28.729 ( 2.370 2.733 0.452) 3.645 28.792 ( -2.894 0.859 -0.562) 3.070 28.820 ( -0.385 2.869 -3.215) 4.326 28.837 ( -5.013 0.940 -3.367) 6.111 28.942 ( 1.217 1.619 -0.239) 2.039 29.236 ( -7.517 -6.422 -8.184) 12.835 29.393 ( -1.580 3.170 0.999) 3.680 29.515 ( -2.636 -3.519 -3.951) 5.911 29.698 ( 7.890 -1.080 8.822) 11.885 29.798 ( 3.973 -0.666 0.529) 4.063 29.830 ( 8.223 -1.046 -0.935) 8.342 29.936 ( -0.019 -3.553 2.871) 4.568 29.987 ( -1.092 -0.698 1.942) 2.335 30.029 ( -8.226 -3.509 2.987) 9.429 30.288 ( 0.782 1.046 1.019) 1.656 30.342 ( -1.507 -0.885 -0.417) 1.797 30.481 ( 2.476 16.485 5.508) 17.556 30.878 ( -13.444 4.283 -2.431) 14.318 31.053 ( -3.614 -1.001 0.117) 3.752 31.172 ( 0.910 -3.190 0.102) 3.318 31.273 ( 7.224 -1.086 7.611) 10.549 31.405 ( 0.895 0.706 -0.413) 1.212 31.454 ( -0.200 -4.770 -0.109) 4.775 31.505 ( 4.421 -6.481 2.349) 8.190 31.605 ( 0.328 2.661 -0.275) 2.695 31.672 ( -1.756 1.802 1.294) 2.829 31.778 ( -0.880 4.130 0.698) 4.280 31.941 ( 1.718 -0.473 2.987) 3.478 32.271 ( 2.153 0.234 -13.185) 13.362 32.323 ( -1.175 -0.985 -10.289) 10.403 32.745 ( 2.676 5.670 3.192) 7.035 32.805 ( -1.005 7.499 2.411) 7.941 33.048 ( 3.810 -10.967 8.162) 14.192 33.252 ( -0.066 -8.693 -2.131) 8.951 34.382 ( 2.015 4.701 -1.325) 5.284 34.478 ( -4.721 5.116 -8.348) 10.869 ======================= Grid point 54 (25/63) ======================= q-point: ( 0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 10.635 16.151 4.398) 19.832 1.123 ( 2.828 15.850 -2.364) 16.273 1.177 ( -15.966 8.416 6.255) 19.102 1.344 ( 10.864 9.474 13.606) 19.822 1.521 ( -1.861 10.146 8.339) 13.264 1.627 ( 3.103 7.327 -2.447) 8.325 1.677 ( 11.131 5.840 10.049) 16.093 1.765 ( 1.179 -6.876 -7.629) 10.338 1.924 ( -5.061 11.291 4.075) 13.027 2.190 ( 2.256 13.603 9.005) 16.468 2.209 ( 0.608 5.859 -0.931) 5.964 2.297 ( -1.971 -1.979 1.034) 2.978 2.345 ( 0.621 -0.570 -2.805) 2.929 2.380 ( -3.432 -0.156 -1.295) 3.671 2.474 ( -1.107 0.342 1.627) 1.998 2.484 ( 6.667 -1.937 4.983) 8.545 2.570 ( -5.113 1.614 -7.420) 9.154 2.597 ( 3.048 0.303 4.892) 5.772 2.632 ( -0.186 3.246 2.766) 4.269 2.674 ( 5.757 -0.608 0.936) 5.864 2.726 ( 1.626 5.043 3.271) 6.227 2.757 ( -0.208 -2.298 3.083) 3.851 2.827 ( 3.696 6.314 1.733) 7.518 2.864 ( -4.855 4.907 3.687) 7.825 2.958 ( -0.090 6.568 3.364) 7.380 3.045 ( -0.201 -2.518 1.333) 2.856 3.054 ( 0.728 1.308 3.379) 3.696 3.120 ( -4.334 1.465 -0.079) 4.576 3.217 ( -5.834 2.543 -9.001) 11.024 3.247 ( 5.901 -0.697 -1.537) 6.138 3.288 ( -0.196 4.977 -1.652) 5.248 3.316 ( -0.864 -3.378 -2.607) 4.353 3.418 ( 0.046 -1.330 -2.708) 3.017 3.428 ( -7.137 5.807 4.888) 10.419 3.526 ( 1.915 3.100 -2.236) 4.275 3.583 ( 1.384 0.556 -2.608) 3.004 3.619 ( 0.497 0.851 -3.153) 3.304 3.742 ( -0.590 7.308 2.736) 7.826 3.834 ( 0.194 2.232 -3.846) 4.451 3.915 ( -3.392 -7.454 -8.960) 12.138 3.964 ( 2.283 -1.884 -0.203) 2.967 4.017 ( -5.251 5.560 4.976) 9.124 4.110 ( 3.254 -2.207 0.617) 3.980 4.133 ( -4.313 -5.853 2.612) 7.726 4.213 ( 1.083 -0.611 1.459) 1.917 4.263 ( 0.557 -4.942 -1.260) 5.131 4.435 ( -4.703 -1.718 0.570) 5.040 4.463 ( 1.295 -3.643 -0.118) 3.868 4.532 ( 0.099 2.338 -0.024) 2.341 4.643 ( 1.167 3.631 -1.568) 4.123 4.685 ( -1.819 -5.318 -3.733) 6.747 4.789 ( 0.628 -4.589 -5.057) 6.858 4.858 ( -13.477 -0.227 3.551) 13.939 4.952 ( -1.626 -1.426 -1.760) 2.788 5.028 ( 0.344 -2.811 -1.489) 3.200 5.050 ( -2.709 -1.988 1.700) 3.766 5.202 ( 0.498 -2.028 -2.154) 3.000 5.242 ( -5.574 -9.029 -4.228) 11.422 5.294 ( 0.960 -4.300 -1.645) 4.703 5.400 ( 4.541 -2.388 1.600) 5.374 5.459 ( -4.002 -5.551 3.149) 7.533 5.518 ( 2.064 -6.728 4.970) 8.616 5.615 ( 8.088 1.136 -1.288) 8.268 5.805 ( -4.123 1.738 -3.132) 5.462 5.863 ( -0.418 0.497 -3.088) 3.156 5.877 ( -2.086 -1.948 -4.737) 5.531 5.960 ( 6.312 0.538 -8.042) 10.238 6.026 ( 6.955 -0.646 0.206) 6.988 6.305 ( -1.590 -18.395 1.877) 18.558 6.328 ( 1.565 -10.617 -0.253) 10.735 6.413 ( 3.673 -1.732 -5.026) 6.461 6.518 ( -4.949 -1.547 -11.816) 12.903 6.714 ( 8.851 -1.078 10.463) 13.747 6.825 ( 4.005 -3.821 4.632) 7.218 7.021 ( -3.841 0.421 -3.215) 5.027 7.079 ( -5.640 4.828 -11.948) 14.067 7.241 ( -0.492 -6.095 4.552) 7.623 7.380 ( 3.712 -2.023 4.270) 6.009 7.459 ( 5.036 2.577 -4.329) 7.123 7.531 ( -3.509 5.141 2.784) 6.819 7.582 ( -3.259 0.680 -0.596) 3.382 7.741 ( -6.858 0.646 1.991) 7.170 7.891 ( 0.925 1.533 7.533) 7.743 8.001 ( 0.611 -2.491 5.792) 6.335 8.150 ( 7.547 -4.134 -4.684) 9.798 8.239 ( 3.082 -9.313 3.656) 10.469 8.414 ( 1.236 1.442 3.536) 4.013 8.465 ( -4.869 -0.113 2.026) 5.275 8.640 ( 4.677 2.682 1.271) 5.539 8.710 ( 3.272 1.768 -3.059) 4.815 9.024 ( 7.428 3.126 8.176) 11.480 9.081 ( -4.612 3.565 -1.818) 6.106 9.125 ( 0.221 2.801 1.746) 3.308 9.231 ( -0.327 6.538 -7.763) 10.155 9.379 ( -3.981 -2.859 7.295) 8.788 9.522 ( 1.639 2.912 5.791) 6.686 9.689 ( -3.276 1.203 2.465) 4.273 9.713 ( -1.603 2.496 -1.459) 3.306 9.815 ( 4.874 1.698 4.193) 6.649 9.924 ( 1.818 5.124 1.224) 5.573 9.982 ( -1.479 3.000 -8.370) 9.013 10.038 ( -3.439 -0.058 1.367) 3.702 10.110 ( -2.243 0.218 1.823) 2.898 10.188 ( 1.276 -1.859 -0.546) 2.320 10.291 ( -1.137 -2.148 -8.338) 8.685 10.373 ( -5.847 -2.820 -6.592) 9.252 10.496 ( -7.746 1.985 -3.133) 8.588 10.603 ( -3.622 -0.030 0.131) 3.625 11.021 ( 1.580 3.055 2.431) 4.211 11.068 ( -7.843 0.028 -0.809) 7.885 11.229 ( 7.743 7.207 -1.581) 10.696 11.362 ( -0.061 3.040 -4.840) 5.716 11.416 ( 8.109 3.552 2.681) 9.249 11.481 ( 1.749 4.666 -4.347) 6.613 11.586 ( 0.633 2.742 0.608) 2.879 11.735 ( 2.024 2.502 -4.093) 5.206 11.956 ( -5.019 0.842 2.686) 5.755 12.072 ( -2.233 -0.797 -2.264) 3.278 12.104 ( 0.113 1.706 3.558) 3.947 12.161 ( 0.340 0.535 0.624) 0.889 12.544 ( 2.029 3.463 6.295) 7.466 12.729 ( 4.442 0.678 8.641) 9.740 12.763 ( -5.820 2.827 -5.759) 8.662 12.779 ( -14.344 -1.120 -3.214) 14.742 12.938 ( -2.188 -1.044 -3.588) 4.330 13.035 ( 0.736 -1.723 -0.885) 2.072 13.284 ( 3.346 -3.381 1.906) 5.124 13.344 ( 1.463 -4.851 3.593) 6.211 13.423 ( 3.786 0.555 5.399) 6.618 13.599 ( 7.986 3.441 0.021) 8.696 13.721 ( 1.971 -10.474 -1.151) 10.720 13.943 ( 8.388 -8.719 -6.460) 13.716 14.265 ( -3.402 -0.375 -0.581) 3.472 14.299 ( -5.051 1.349 6.788) 8.568 14.375 ( -1.051 0.460 -3.718) 3.891 14.434 ( -5.978 -1.535 -0.387) 6.184 14.525 ( -2.978 -0.031 -3.135) 4.324 14.593 ( -1.184 -9.173 -0.741) 9.279 14.701 ( 6.179 -1.551 2.442) 6.822 14.855 ( -4.202 -4.969 2.878) 7.116 14.991 ( 13.130 3.936 -1.495) 13.788 15.191 ( 9.978 -0.516 -2.509) 10.302 15.426 ( -0.316 5.494 0.542) 5.530 15.465 ( 0.607 4.788 -1.750) 5.134 15.638 ( -2.160 -3.143 2.169) 4.388 15.673 ( -0.259 -7.289 6.457) 9.741 16.940 ( -9.013 1.534 2.137) 9.389 17.044 ( -8.592 -1.491 -0.680) 8.747 17.395 ( 3.477 1.220 -4.600) 5.894 17.443 ( 13.409 -1.949 1.759) 13.664 18.343 ( 2.393 1.406 6.398) 6.974 18.525 ( -4.431 -4.707 -6.231) 8.978 19.135 ( 6.271 1.404 2.789) 7.005 19.229 ( 2.664 -1.970 -2.388) 4.084 19.664 ( -2.288 -0.126 -4.442) 4.998 19.758 ( 10.424 -2.683 3.365) 11.277 20.389 ( 1.868 6.399 4.744) 8.182 20.653 ( 0.064 -4.119 -10.482) 11.262 21.348 ( 1.213 -0.849 1.923) 2.427 21.409 ( 2.632 -1.301 -0.409) 2.964 21.862 ( -3.579 0.888 4.507) 5.823 21.901 ( -4.087 -0.264 0.317) 4.108 22.075 ( -1.717 -0.776 1.338) 2.311 22.102 ( -3.024 -1.433 -1.491) 3.663 22.299 ( -6.395 4.620 1.547) 8.040 22.399 ( -3.391 3.819 1.434) 5.305 22.433 ( -0.532 -0.908 0.233) 1.077 22.540 ( -1.539 -0.566 -1.395) 2.153 27.712 ( 1.468 5.815 10.770) 12.327 27.881 ( -5.872 1.683 -0.033) 6.109 28.150 ( 1.244 -3.211 6.153) 7.051 28.258 ( -2.627 -5.880 -3.927) 7.543 28.485 ( 0.131 3.687 -6.963) 7.880 28.575 ( 2.444 2.523 -7.380) 8.174 28.695 ( -4.178 0.566 -0.583) 4.256 28.745 ( -1.057 1.672 -0.479) 2.035 28.794 ( -0.646 1.173 -0.606) 1.469 28.822 ( 2.199 0.896 -0.143) 2.379 29.032 ( -1.897 -2.881 -6.020) 6.939 29.050 ( 5.644 -2.644 1.569) 6.427 29.412 ( -0.629 1.943 2.843) 3.500 29.446 ( -1.495 -0.797 -0.529) 1.775 29.770 ( -3.464 -0.094 -3.703) 5.072 29.801 ( -2.366 0.089 -5.112) 5.634 29.858 ( -2.780 -2.153 2.319) 4.212 29.936 ( 2.557 -4.407 2.827) 5.826 30.060 ( 6.500 0.815 2.172) 6.902 30.121 ( 7.664 -2.481 1.067) 8.125 30.287 ( -3.040 0.456 -0.524) 3.119 30.300 ( -1.799 0.572 0.709) 2.017 30.518 ( -5.971 11.556 8.429) 15.500 30.773 ( 3.651 11.583 2.038) 12.314 31.040 ( -0.492 -5.243 3.219) 6.172 31.182 ( 2.191 -3.624 -2.497) 4.917 31.295 ( -10.802 -0.969 -2.406) 11.109 31.389 ( -0.291 -2.137 4.662) 5.137 31.528 ( 2.966 0.531 -0.207) 3.021 31.545 ( 2.721 -0.319 2.396) 3.640 31.658 ( -0.792 1.641 1.272) 2.222 31.723 ( 7.491 0.899 2.876) 8.075 31.777 ( -2.856 0.408 4.756) 5.562 31.988 ( -1.449 -0.322 2.317) 2.751 32.145 ( 1.430 -0.924 -12.968) 13.080 32.177 ( 0.620 -1.213 -11.504) 11.585 32.725 ( -5.888 2.834 1.538) 6.713 32.890 ( 5.814 8.239 1.878) 10.257 33.053 ( -7.413 -11.972 2.547) 14.310 33.302 ( 5.159 -6.609 -1.478) 8.514 34.340 ( 0.378 3.627 -0.643) 3.703 34.465 ( 5.668 2.294 -2.982) 6.803 ======================= Grid point 55 (26/63) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -2.144 4.542 -3.866) 6.339 1.110 ( -8.775 14.818 9.325) 19.584 1.207 ( 10.376 5.495 2.922) 12.100 1.441 ( 0.737 0.085 -0.720) 1.034 1.635 ( -6.147 -1.902 -6.917) 9.447 1.669 ( 7.552 5.626 0.835) 9.454 1.775 ( 12.101 13.708 4.987) 18.953 1.892 ( 3.226 7.215 5.076) 9.393 1.969 ( 3.988 11.153 -0.007) 11.845 2.150 ( -4.879 0.060 -1.304) 5.050 2.200 ( 2.712 -0.625 1.165) 3.017 2.261 ( 0.292 7.523 -2.551) 7.949 2.317 ( 0.391 7.436 -1.801) 7.661 2.367 ( -3.376 2.752 -0.667) 4.406 2.390 ( -3.373 6.994 -0.988) 7.828 2.496 ( -2.744 7.135 1.133) 7.728 2.573 ( -2.173 4.225 -1.844) 5.097 2.604 ( -3.005 4.669 -6.860) 8.825 2.626 ( -0.979 -0.371 1.146) 1.552 2.684 ( 0.173 5.120 1.288) 5.282 2.769 ( -0.415 -8.366 2.851) 8.848 2.803 ( 0.966 2.493 -0.641) 2.749 2.853 ( -5.328 4.079 3.918) 7.771 2.902 ( 2.585 0.540 2.870) 3.900 2.966 ( 1.183 3.306 -1.951) 4.017 2.999 ( -3.066 6.443 0.348) 7.144 3.061 ( 1.697 -0.642 5.937) 6.208 3.125 ( 0.462 0.940 0.295) 1.088 3.211 ( -4.280 2.820 -0.368) 5.138 3.259 ( 3.848 3.801 3.137) 6.253 3.308 ( -1.117 1.571 1.189) 2.265 3.344 ( 0.059 -2.967 -0.043) 2.968 3.381 ( 1.578 0.752 0.035) 1.748 3.450 ( 0.532 -4.691 -11.564) 12.490 3.465 ( 1.804 -0.189 5.806) 6.083 3.568 ( -3.614 4.753 -8.447) 10.345 3.661 ( 0.686 -3.384 1.331) 3.700 3.689 ( 7.458 -4.324 1.051) 8.685 3.760 ( -0.841 8.540 -1.048) 8.645 3.815 ( -6.271 0.962 -1.271) 6.470 3.953 ( 5.417 2.903 -0.920) 6.214 4.029 ( -4.395 -9.030 4.216) 10.891 4.051 ( 0.361 -6.620 -1.113) 6.723 4.140 ( -0.803 -3.111 -0.190) 3.218 4.294 ( 3.384 -2.379 2.799) 4.995 4.379 ( -7.800 -1.935 3.689) 8.842 4.422 ( -3.721 2.603 1.319) 4.729 4.436 ( 5.984 -0.212 1.654) 6.212 4.533 ( -4.308 0.659 -1.989) 4.790 4.587 ( 6.930 -1.093 5.702) 9.041 4.677 ( 3.240 2.532 -2.905) 5.034 4.725 ( -1.584 3.171 -1.385) 3.806 4.780 ( -6.783 -9.292 0.620) 11.521 4.918 ( -3.618 -7.172 2.047) 8.290 4.992 ( -3.704 1.191 -2.732) 4.754 5.037 ( 1.745 -5.014 -0.501) 5.332 5.091 ( -6.171 -3.348 -1.002) 7.092 5.166 ( -2.459 -3.446 -0.334) 4.247 5.309 ( -0.921 -5.011 2.367) 5.617 5.383 ( -4.316 -0.226 -3.219) 5.389 5.469 ( 2.466 1.583 -0.030) 2.930 5.577 ( -0.391 1.001 0.291) 1.113 5.682 ( 1.180 -5.150 -2.711) 5.938 5.737 ( -0.487 -1.340 -1.809) 2.303 5.769 ( -0.366 -0.328 -7.349) 7.365 5.899 ( 5.741 -7.391 1.643) 9.502 6.017 ( 4.643 -5.055 3.987) 7.938 6.146 ( 4.385 -8.379 0.812) 9.492 6.219 ( -1.454 -0.903 -3.480) 3.878 6.322 ( -4.090 -3.519 -2.094) 5.788 6.426 ( 3.901 -9.346 2.712) 10.484 6.453 ( 5.327 -3.914 -0.681) 6.645 6.750 ( -6.669 -4.408 -7.282) 10.813 6.797 ( -6.274 2.292 -11.011) 12.878 7.013 ( 5.167 0.839 5.462) 7.565 7.145 ( 6.337 -2.829 9.869) 12.065 7.228 ( -7.994 -1.346 -5.686) 9.901 7.296 ( -2.145 -4.882 4.087) 6.719 7.482 ( 3.537 5.246 3.381) 7.174 7.574 ( -2.914 2.914 5.511) 6.882 7.653 ( 5.436 1.529 1.091) 5.751 7.753 ( 5.393 -1.884 -1.107) 5.819 7.857 ( 2.826 0.485 -2.064) 3.533 8.108 ( 1.313 -5.059 0.280) 5.234 8.251 ( 8.636 0.561 2.915) 9.132 8.380 ( -0.929 -2.086 1.616) 2.797 8.459 ( -0.259 -3.087 -1.737) 3.552 8.481 ( 8.801 -3.375 6.985) 11.732 8.623 ( -0.073 1.327 -3.341) 3.596 8.713 ( -2.747 1.032 -0.736) 3.025 8.967 ( -5.978 1.929 -5.656) 8.453 9.079 ( 0.220 4.847 -2.150) 5.307 9.143 ( -1.820 0.440 1.486) 2.390 9.302 ( 5.518 9.936 8.205) 14.017 9.362 ( -1.420 -5.140 -3.838) 6.570 9.551 ( 1.218 -0.137 1.223) 1.732 9.704 ( -1.314 6.304 4.027) 7.595 9.741 ( 1.450 4.770 3.933) 6.350 9.844 ( -2.720 4.322 -6.514) 8.277 9.941 ( 1.640 -0.031 2.414) 2.919 9.981 ( -2.144 3.625 1.741) 4.557 10.006 ( 0.310 1.554 2.635) 3.075 10.073 ( -1.192 2.324 -4.171) 4.921 10.107 ( -2.484 -1.291 -2.742) 3.919 10.211 ( -5.658 -1.396 -2.254) 6.249 10.254 ( -2.792 0.798 1.372) 3.211 10.355 ( -4.310 -2.390 -3.028) 5.785 10.519 ( -7.045 -4.993 0.560) 8.653 10.987 ( -3.439 2.761 0.688) 4.464 11.081 ( 1.658 1.949 0.546) 2.617 11.235 ( 1.965 9.889 -6.178) 11.825 11.368 ( 1.912 4.232 -0.085) 4.645 11.467 ( 2.818 4.851 2.429) 6.113 11.572 ( 3.964 3.999 1.781) 5.906 11.676 ( 4.147 0.996 4.963) 6.544 11.777 ( 6.881 -0.084 1.454) 7.033 11.883 ( -4.356 0.262 0.478) 4.390 11.983 ( -4.612 -2.685 -6.020) 8.045 12.090 ( -3.587 1.020 -3.200) 4.914 12.148 ( -1.322 0.007 -0.466) 1.402 12.461 ( -5.606 0.924 -3.057) 6.452 12.596 ( -8.412 3.412 -4.703) 10.223 12.685 ( -1.333 0.078 2.058) 2.453 12.898 ( 5.342 4.081 10.196) 12.212 13.012 ( 5.633 -5.170 3.782) 8.530 13.102 ( 1.545 -6.390 7.426) 9.918 13.313 ( -0.387 -4.215 -2.071) 4.712 13.394 ( 0.523 -3.920 1.161) 4.122 13.553 ( 6.154 -0.583 3.692) 7.201 13.660 ( 2.418 -0.769 -3.685) 4.474 13.740 ( 6.271 0.911 -5.487) 8.383 13.923 ( 3.407 -3.033 -8.388) 9.548 14.197 ( -7.524 -1.932 4.486) 8.970 14.306 ( -4.746 -0.054 -1.180) 4.891 14.335 ( -1.917 0.019 -1.327) 2.331 14.353 ( -1.923 -4.174 3.965) 6.069 14.450 ( -1.757 -1.783 -2.728) 3.703 14.565 ( -0.640 -6.083 -0.372) 6.128 14.812 ( -1.905 -3.242 0.358) 3.778 14.831 ( 5.052 -3.901 2.000) 6.689 15.066 ( 2.921 7.899 -7.043) 10.979 15.204 ( 2.373 1.813 -4.553) 5.445 15.455 ( 1.848 5.049 -2.862) 6.090 15.515 ( 3.617 3.441 0.716) 5.043 15.574 ( 2.718 4.805 1.884) 5.833 15.822 ( 3.467 -7.151 5.278) 9.540 16.827 ( -9.179 0.652 2.007) 9.418 16.924 ( -6.771 -2.125 0.469) 7.112 17.419 ( 5.241 3.046 -1.764) 6.313 17.648 ( 10.072 -6.354 1.875) 12.056 18.343 ( -8.473 1.457 -4.767) 9.831 18.495 ( 4.549 -4.565 6.989) 9.507 19.192 ( -0.679 -0.512 -5.225) 5.293 19.274 ( 7.927 -4.284 -1.222) 9.093 19.626 ( 4.623 7.431 -1.927) 8.961 19.937 ( 9.024 -6.168 1.554) 11.041 20.503 ( 2.762 3.743 7.318) 8.671 20.622 ( 6.736 0.343 -2.956) 7.364 21.277 ( -4.495 1.076 -4.449) 6.416 21.432 ( -0.024 -5.194 -2.826) 5.913 21.761 ( -7.733 6.276 -1.688) 10.101 21.959 ( -2.320 1.218 -0.430) 2.655 21.995 ( -6.561 -3.422 6.938) 10.144 22.052 ( -0.768 -3.739 0.360) 3.834 22.245 ( -3.621 4.611 1.191) 5.983 22.358 ( -3.719 2.742 1.190) 4.771 22.415 ( -1.075 -1.122 -1.120) 1.915 22.486 ( -3.106 -0.288 -1.567) 3.491 27.797 ( -3.573 4.358 -2.133) 6.026 27.875 ( 2.145 3.187 11.496) 12.120 28.157 ( -3.877 -4.035 -4.415) 7.128 28.244 ( 1.212 -4.818 4.954) 7.016 28.405 ( 0.182 2.901 -5.696) 6.395 28.537 ( 0.925 -0.299 -3.006) 3.159 28.647 ( -1.672 -2.540 -1.214) 3.274 28.681 ( -4.581 -0.998 -1.276) 4.859 28.791 ( 0.095 2.115 0.239) 2.131 28.839 ( 1.130 0.257 -0.596) 1.303 28.993 ( 3.070 4.248 -0.266) 5.248 29.216 ( 7.246 -3.867 6.467) 10.454 29.398 ( -1.494 0.327 1.007) 1.831 29.499 ( 2.508 0.275 4.210) 4.908 29.644 ( -6.084 -0.189 -4.305) 7.456 29.674 ( -4.101 -1.816 -6.447) 7.853 29.797 ( -2.974 2.638 -2.566) 4.732 30.008 ( -0.663 -0.107 0.979) 1.188 30.151 ( 0.175 3.229 0.240) 3.242 30.180 ( 5.918 0.706 0.297) 5.968 30.233 ( -3.559 1.493 -0.187) 3.864 30.282 ( -0.687 0.195 0.102) 0.721 30.597 ( 6.213 4.045 2.505) 7.826 30.946 ( 6.777 4.351 9.408) 12.384 31.024 ( -11.601 -8.192 0.302) 14.205 31.147 ( 2.329 -1.163 1.392) 2.952 31.227 ( 5.077 1.223 -2.016) 5.598 31.379 ( -1.972 -4.970 -2.287) 5.816 31.521 ( -0.300 2.900 -1.765) 3.408 31.650 ( 5.017 -1.622 -0.592) 5.306 31.686 ( -0.834 5.452 6.880) 8.818 31.744 ( -3.387 3.996 2.174) 5.671 31.861 ( 1.059 -3.458 0.969) 3.744 31.912 ( -2.511 0.283 -5.308) 5.879 32.038 ( 1.321 -3.332 -6.881) 7.758 32.117 ( 1.235 -3.375 -1.310) 3.825 32.651 ( -4.673 2.513 -0.179) 5.309 32.943 ( -3.057 -3.056 -0.244) 4.329 33.018 ( 2.908 3.105 1.718) 4.587 33.305 ( -1.361 0.613 -2.249) 2.699 34.379 ( 4.803 0.387 -1.423) 5.024 34.540 ( 4.808 -1.959 2.441) 5.737 ======================= Grid point 56 (27/63) ======================= q-point: ( 0.38 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -16.158 15.725 3.535) 22.822 1.079 ( 0.364 5.027 2.576) 5.660 1.341 ( -2.540 9.787 0.583) 10.128 1.454 ( -3.279 5.810 0.169) 6.674 1.534 ( 6.730 -4.721 -0.599) 8.243 1.677 ( -7.502 4.142 2.308) 8.874 1.865 ( 5.329 8.192 -2.610) 10.115 1.964 ( 9.267 2.329 -7.161) 11.941 2.039 ( 2.288 6.593 1.431) 7.124 2.082 ( 5.169 -2.688 -6.596) 8.800 2.272 ( 1.445 12.144 -0.889) 12.262 2.275 ( -0.947 10.472 -2.187) 10.740 2.336 ( 1.057 0.239 -1.960) 2.240 2.352 ( 5.141 2.630 -1.376) 5.937 2.400 ( 0.727 7.693 1.462) 7.864 2.469 ( -1.964 -1.504 2.054) 3.215 2.528 ( 1.752 4.634 -2.169) 5.408 2.559 ( 3.188 8.488 5.745) 10.734 2.648 ( 2.474 5.624 -0.316) 6.152 2.670 ( -0.489 3.223 -3.658) 4.900 2.763 ( -3.541 5.174 -1.525) 6.453 2.795 ( -1.150 1.886 1.698) 2.786 2.839 ( -1.319 3.498 0.483) 3.770 2.885 ( -1.859 -4.898 -5.409) 7.530 2.951 ( -1.490 5.815 2.562) 6.527 2.964 ( -4.843 6.142 -1.765) 8.019 3.092 ( -0.634 -4.605 -0.765) 4.711 3.112 ( 0.044 -1.775 -2.184) 2.814 3.132 ( -4.092 5.072 -1.470) 6.680 3.236 ( -2.222 -3.641 0.576) 4.304 3.263 ( -3.883 0.721 -1.404) 4.191 3.319 ( -1.578 2.387 4.232) 5.109 3.387 ( 3.696 -5.445 1.206) 6.690 3.414 ( 0.796 2.509 -1.473) 3.016 3.436 ( -2.206 1.373 0.187) 2.605 3.541 ( -3.597 0.730 -2.671) 4.540 3.669 ( 0.707 3.818 1.424) 4.136 3.808 ( 7.324 1.422 2.802) 7.970 3.857 ( 0.711 1.956 9.333) 9.562 3.931 ( 9.564 1.169 4.026) 10.442 3.959 ( -3.897 -7.532 1.096) 8.551 4.021 ( 2.668 -3.246 2.341) 4.810 4.088 ( 0.972 -1.753 1.419) 2.456 4.166 ( 4.884 -2.559 0.108) 5.515 4.251 ( -8.305 -2.630 -1.278) 8.805 4.371 ( 4.329 -3.266 -1.525) 5.633 4.393 ( -7.422 0.340 0.049) 7.430 4.434 ( 0.296 -3.537 -0.223) 3.557 4.492 ( 0.210 -2.613 -0.403) 2.652 4.604 ( -5.515 -0.022 -3.619) 6.596 4.665 ( -7.197 2.183 0.813) 7.565 4.734 ( 2.995 -2.331 1.741) 4.175 4.779 ( -0.231 -1.059 -1.798) 2.100 4.865 ( -1.306 -8.533 -2.604) 9.017 4.954 ( 4.753 0.870 1.140) 4.965 5.027 ( -3.041 1.143 1.142) 3.444 5.058 ( -1.496 -11.357 1.973) 11.624 5.163 ( -1.560 2.016 4.357) 5.048 5.251 ( -3.273 0.030 -3.263) 4.621 5.330 ( -0.144 1.602 -1.695) 2.337 5.493 ( 0.814 -1.749 0.729) 2.063 5.547 ( 0.763 -5.547 -2.591) 6.170 5.641 ( -0.064 1.485 -1.080) 1.838 5.693 ( 3.376 -1.974 -4.491) 5.956 5.798 ( 1.097 -0.376 2.243) 2.525 5.992 ( 4.258 -10.758 0.935) 11.608 6.064 ( -0.866 -1.341 0.586) 1.700 6.181 ( -1.798 -12.420 0.019) 12.549 6.223 ( 0.374 -10.512 0.637) 10.538 6.332 ( 2.880 -2.159 9.134) 9.818 6.449 ( -2.221 5.366 -1.237) 5.938 6.509 ( -5.966 -5.278 -2.509) 8.351 6.604 ( 0.883 0.138 5.129) 5.206 6.762 ( 1.979 -7.085 7.392) 10.429 6.975 ( -2.562 -1.321 -7.061) 7.627 7.119 ( 0.761 -3.791 -2.987) 4.886 7.222 ( -0.587 -0.771 -0.133) 0.978 7.321 ( 0.639 -2.776 -4.147) 5.031 7.490 ( -9.017 4.390 3.323) 10.565 7.586 ( 1.022 9.285 -2.153) 9.586 7.730 ( 0.387 -1.691 0.049) 1.735 7.896 ( 7.476 0.425 3.216) 8.149 7.938 ( 12.466 -4.056 -2.131) 13.281 8.145 ( 4.199 2.509 -0.604) 4.928 8.331 ( -0.012 -7.509 -4.508) 8.758 8.394 ( 1.997 -4.710 -0.900) 5.194 8.463 ( 2.959 1.576 0.954) 3.486 8.496 ( 4.597 0.188 -4.552) 6.472 8.613 ( -6.787 -0.242 1.156) 6.889 8.790 ( 1.346 -4.336 6.107) 7.609 8.828 ( -2.286 -1.188 2.505) 3.593 8.975 ( -8.189 -0.938 -5.188) 9.739 9.140 ( 2.643 9.033 -4.268) 10.335 9.320 ( 4.813 -1.017 -0.327) 4.930 9.442 ( 2.671 10.753 0.059) 11.080 9.563 ( -2.736 4.980 -3.934) 6.911 9.699 ( -0.496 3.881 -3.002) 4.931 9.778 ( 1.019 3.029 2.276) 3.923 9.789 ( -0.877 2.692 2.062) 3.503 9.868 ( -5.975 5.027 2.186) 8.109 9.950 ( -1.380 -2.321 -2.217) 3.493 10.028 ( -1.760 -2.154 -0.583) 2.842 10.094 ( 1.031 -2.695 0.294) 2.900 10.105 ( 2.975 -1.192 5.711) 6.549 10.162 ( -2.787 3.081 1.346) 4.367 10.244 ( -2.483 1.113 3.238) 4.229 10.310 ( -1.787 -1.121 3.697) 4.256 10.431 ( -4.997 -4.589 -0.294) 6.791 10.951 ( -1.282 5.462 0.037) 5.610 11.105 ( 0.923 0.301 -3.991) 4.107 11.193 ( 1.393 14.482 2.673) 14.792 11.451 ( 1.418 -1.267 4.623) 4.999 11.493 ( -0.136 1.654 1.616) 2.316 11.652 ( 1.510 4.638 0.516) 4.905 11.689 ( -4.104 6.135 -0.952) 7.442 11.836 ( -1.213 -3.610 -0.302) 3.820 11.865 ( 0.151 -1.064 -0.759) 1.316 11.897 ( -2.160 -2.107 0.067) 3.018 12.053 ( 7.866 0.939 3.294) 8.579 12.150 ( 1.007 -1.201 -3.176) 3.542 12.392 ( -5.836 6.372 -5.085) 10.026 12.426 ( -2.271 4.862 2.093) 5.760 12.730 ( 0.764 -2.046 1.892) 2.889 13.027 ( 0.496 -8.101 0.543) 8.134 13.104 ( 0.034 -1.846 2.394) 3.023 13.194 ( 0.799 -10.406 -1.597) 10.558 13.279 ( 1.539 0.201 3.657) 3.973 13.330 ( -4.016 -2.130 -5.993) 7.522 13.608 ( 2.673 -1.774 -5.380) 6.264 13.689 ( 3.601 -3.994 0.019) 5.377 13.769 ( 6.393 6.348 -4.038) 9.873 13.899 ( 3.760 2.353 -4.393) 6.243 14.156 ( -7.257 -0.939 7.397) 10.405 14.221 ( -3.382 3.012 1.525) 4.779 14.318 ( -1.207 -6.647 0.632) 6.786 14.376 ( 0.033 -6.000 2.622) 6.548 14.411 ( -1.036 -1.920 -0.336) 2.207 14.574 ( 1.232 -5.752 -0.493) 5.903 14.763 ( -1.009 2.504 -3.152) 4.151 14.926 ( 1.968 -4.645 3.126) 5.935 15.010 ( 1.491 8.977 -4.173) 10.011 15.192 ( 1.974 0.407 -2.432) 3.158 15.443 ( 1.600 8.690 -1.127) 8.908 15.558 ( 2.642 2.339 -0.553) 3.572 15.690 ( 6.493 4.870 0.015) 8.117 15.879 ( 0.242 -3.899 -0.422) 3.929 16.724 ( -6.608 0.439 0.893) 6.683 16.845 ( -4.145 -3.882 -0.837) 5.740 17.503 ( 5.017 1.983 1.455) 5.587 17.757 ( 3.789 -8.036 -0.666) 8.909 18.194 ( -4.753 6.374 -2.636) 8.377 18.586 ( -0.792 -9.969 1.377) 10.094 19.155 ( 2.701 2.371 -1.011) 3.733 19.337 ( 2.931 -5.912 1.694) 6.812 19.726 ( 7.140 7.793 0.221) 10.572 20.049 ( 6.502 -6.550 -3.153) 9.753 20.624 ( 1.171 2.995 7.620) 8.271 20.734 ( 5.671 2.190 2.393) 6.533 21.190 ( -1.727 1.379 -0.718) 2.324 21.343 ( -3.656 -3.668 -3.744) 6.391 21.659 ( -2.485 4.380 -1.461) 5.244 21.790 ( -8.835 -1.251 -1.728) 9.089 22.061 ( -0.291 -0.570 0.269) 0.694 22.087 ( -1.154 -0.883 5.952) 6.127 22.200 ( -1.471 2.439 -0.967) 3.007 22.320 ( -2.221 -1.078 -1.316) 2.798 22.383 ( -0.647 0.411 -1.098) 1.339 22.426 ( -1.933 0.021 -1.536) 2.469 27.734 ( -0.568 5.465 -2.868) 6.198 28.010 ( -1.914 4.652 -2.148) 5.469 28.042 ( -1.244 -5.965 4.137) 7.365 28.275 ( -1.240 -4.344 -0.141) 4.520 28.396 ( 2.317 0.263 0.827) 2.474 28.527 ( 1.171 -2.398 -1.011) 2.854 28.602 ( -1.586 -3.480 -0.569) 3.866 28.638 ( -2.175 -2.039 1.743) 3.453 28.812 ( 0.017 1.967 3.423) 3.948 28.858 ( 0.676 1.801 1.890) 2.697 29.049 ( 2.132 8.698 1.414) 9.066 29.371 ( 2.168 -5.312 3.012) 6.480 29.403 ( -0.962 -0.361 1.395) 1.732 29.501 ( -2.403 0.489 -5.105) 5.663 29.574 ( -0.505 -0.961 0.820) 1.361 29.591 ( 0.277 -4.714 2.444) 5.317 29.733 ( -0.019 10.330 -2.297) 10.582 29.935 ( -5.070 7.055 -1.805) 8.873 30.173 ( -2.070 0.889 -0.108) 2.255 30.198 ( 2.932 -2.136 -0.463) 3.657 30.240 ( 0.520 -1.338 1.996) 2.459 30.288 ( 2.289 -0.750 -1.366) 2.769 30.709 ( 6.501 2.473 -0.555) 6.978 30.866 ( -6.383 -0.727 -1.503) 6.597 31.116 ( 2.289 -1.839 4.163) 5.095 31.170 ( 0.458 -1.770 -3.147) 3.639 31.278 ( 0.025 -1.153 1.157) 1.634 31.331 ( -0.219 -2.444 -1.750) 3.014 31.532 ( 4.181 1.380 -0.528) 4.435 31.638 ( -2.873 0.026 -5.716) 6.398 31.663 ( 2.296 -0.717 -6.992) 7.394 31.722 ( -3.558 1.559 1.576) 4.191 31.850 ( -1.306 1.889 2.357) 3.291 31.895 ( 2.921 2.336 -4.248) 5.660 32.027 ( 0.879 -6.993 4.591) 8.411 32.183 ( 0.043 -3.856 9.800) 10.531 32.594 ( -2.209 3.173 -0.585) 3.910 32.884 ( -2.086 -6.060 -1.870) 6.677 33.094 ( 3.438 9.217 1.290) 9.921 33.236 ( -2.766 4.940 -2.588) 6.225 34.429 ( 3.742 0.153 -0.733) 3.816 34.624 ( 1.459 -5.431 1.957) 5.955 ======================= Grid point 57 (28/63) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -3.364 17.171 8.082) 19.274 1.135 ( -0.290 3.170 4.626) 5.615 1.267 ( -0.824 4.388 -0.558) 4.499 1.496 ( 4.255 4.480 9.314) 11.177 1.560 ( -3.518 4.212 -3.176) 6.340 1.716 ( 2.769 2.649 6.113) 7.215 1.879 ( -2.280 5.748 -13.260) 14.631 1.953 ( 3.587 4.776 3.887) 7.127 2.014 ( 4.723 -6.433 -15.461) 17.399 2.097 ( 0.225 9.432 -3.854) 10.192 2.210 ( -5.911 -0.092 -2.064) 6.261 2.259 ( -1.312 14.132 -1.951) 14.326 2.313 ( -1.440 0.087 -0.830) 1.664 2.353 ( 2.322 4.929 -0.975) 5.536 2.400 ( 2.480 0.490 -1.422) 2.900 2.485 ( 1.354 -0.322 4.278) 4.499 2.544 ( 3.867 -1.629 -6.466) 7.708 2.581 ( -1.626 6.049 0.390) 6.276 2.639 ( -1.219 7.621 -0.999) 7.783 2.685 ( -5.337 13.407 1.058) 14.469 2.738 ( -0.270 -4.544 -4.861) 6.660 2.787 ( -0.293 9.045 -0.115) 9.050 2.815 ( 2.763 4.460 0.843) 5.314 2.833 ( 1.086 8.468 2.792) 8.982 2.904 ( -1.851 1.544 0.026) 2.411 2.963 ( -0.346 -2.266 1.940) 3.003 3.087 ( 0.006 -1.602 -2.906) 3.318 3.102 ( 1.002 3.058 -0.504) 3.257 3.149 ( 0.356 7.687 3.002) 8.260 3.221 ( 2.333 -3.716 1.939) 4.797 3.248 ( 2.369 3.384 0.650) 4.182 3.320 ( -3.216 0.391 1.983) 3.798 3.414 ( -0.200 0.653 -0.356) 0.770 3.452 ( -0.510 -0.895 1.251) 1.620 3.461 ( 0.441 0.337 -0.661) 0.863 3.518 ( 8.087 -0.789 2.300) 8.444 3.709 ( -2.487 3.233 -0.041) 4.079 3.837 ( -3.977 -3.331 5.666) 7.682 3.897 ( -5.136 -1.534 -3.620) 6.468 3.926 ( -6.059 4.013 -2.615) 7.723 3.936 ( 3.193 0.457 3.633) 4.858 4.083 ( -0.671 3.642 -1.220) 3.899 4.114 ( -2.305 -2.586 0.920) 3.585 4.224 ( -2.491 -11.546 4.497) 12.639 4.239 ( 6.792 -2.679 0.740) 7.339 4.326 ( -2.142 0.035 3.300) 3.935 4.376 ( 0.648 -4.799 -6.887) 8.419 4.425 ( -1.781 -1.626 -7.411) 7.793 4.490 ( 6.872 0.730 1.286) 7.029 4.518 ( -2.487 0.034 1.043) 2.697 4.628 ( -0.447 -0.664 -0.279) 0.848 4.679 ( -0.757 -0.814 -1.031) 1.516 4.729 ( -2.124 3.388 3.344) 5.213 4.888 ( 3.418 -9.614 -0.340) 10.210 5.009 ( -2.592 -6.061 1.566) 6.776 5.038 ( 0.393 -0.077 0.008) 0.400 5.067 ( -1.667 -6.078 5.113) 8.116 5.176 ( -2.615 -2.390 1.717) 3.937 5.230 ( 3.251 1.863 2.030) 4.261 5.319 ( 0.662 4.670 -1.091) 4.841 5.503 ( 0.447 -6.647 -0.978) 6.733 5.588 ( 2.855 -5.481 2.467) 6.654 5.623 ( 2.832 0.444 -3.890) 4.832 5.765 ( 2.202 -3.469 5.359) 6.753 5.804 ( -2.193 0.803 1.186) 2.620 5.978 ( -1.145 -6.543 -3.004) 7.290 6.079 ( -1.630 -6.312 2.236) 6.892 6.179 ( 2.461 -12.643 0.463) 12.888 6.238 ( 0.329 -4.424 1.015) 4.551 6.298 ( -4.906 -7.982 -3.962) 10.173 6.465 ( 1.398 -0.607 4.456) 4.710 6.578 ( 2.172 -0.283 12.330) 12.523 6.771 ( 3.109 5.116 11.848) 13.275 6.791 ( -1.343 -4.763 1.228) 5.099 6.894 ( 2.515 -5.131 -5.118) 7.671 7.086 ( -5.210 1.051 -18.536) 19.283 7.180 ( -0.033 -3.856 -1.931) 4.313 7.274 ( 2.209 -3.118 7.877) 8.755 7.373 ( -2.856 6.517 -4.360) 8.345 7.544 ( 0.496 5.680 -1.129) 5.812 7.785 ( 2.286 -2.646 -0.869) 3.603 7.907 ( -5.134 0.806 -3.253) 6.131 8.035 ( 2.705 -1.883 -7.938) 8.595 8.098 ( 0.556 -1.674 -7.325) 7.535 8.253 ( -1.487 -9.841 -1.858) 10.125 8.395 ( -0.614 -4.672 -1.572) 4.967 8.461 ( -7.765 -1.168 -1.945) 8.089 8.576 ( 1.718 7.664 3.258) 8.503 8.624 ( 8.391 -1.170 2.911) 8.958 8.736 ( -6.781 0.590 2.842) 7.376 8.850 ( 1.825 -3.263 3.359) 5.026 8.935 ( 0.589 -2.383 -1.418) 2.835 9.162 ( 5.404 12.032 -4.855) 14.055 9.351 ( -2.481 10.331 -6.632) 12.525 9.405 ( 1.052 3.076 2.251) 3.955 9.512 ( 2.057 3.441 -2.763) 4.869 9.657 ( -1.680 -0.128 0.200) 1.696 9.756 ( -0.919 6.599 -0.074) 6.663 9.821 ( 1.317 -2.247 -0.829) 2.734 9.862 ( -2.215 4.505 3.246) 5.978 9.975 ( -1.546 0.362 -1.824) 2.418 10.013 ( 2.828 -0.008 5.345) 6.047 10.066 ( -0.486 -3.657 0.408) 3.711 10.167 ( 0.078 -0.945 1.686) 1.935 10.197 ( -3.270 -0.652 2.440) 4.132 10.243 ( 1.595 -2.062 2.190) 3.405 10.320 ( -3.158 0.763 3.945) 5.111 10.404 ( 0.571 -3.046 1.883) 3.627 10.936 ( -0.579 6.159 -1.358) 6.334 11.102 ( 3.177 4.211 3.850) 6.531 11.339 ( 4.760 3.643 6.534) 8.867 11.411 ( -4.922 0.135 -1.443) 5.131 11.484 ( -1.072 3.259 0.865) 3.538 11.640 ( -0.394 6.280 -0.238) 6.296 11.680 ( -1.387 1.084 -3.537) 3.951 11.794 ( -3.011 1.094 -0.149) 3.207 11.861 ( -2.351 2.521 -2.176) 4.076 11.914 ( 3.481 2.637 5.346) 6.903 12.111 ( 2.208 -0.865 2.147) 3.199 12.259 ( 6.069 -2.222 5.828) 8.703 12.320 ( -0.268 1.594 -2.302) 2.813 12.445 ( 1.755 5.025 2.125) 5.731 12.686 ( -4.777 -2.730 -4.753) 7.271 12.942 ( -5.708 -0.679 -10.473) 11.947 13.002 ( -1.813 -6.703 -2.064) 7.244 13.166 ( -5.399 -6.410 -3.149) 8.953 13.274 ( 3.495 -1.679 1.221) 4.065 13.371 ( 2.543 -0.797 0.217) 2.674 13.552 ( -0.230 -3.041 -6.819) 7.470 13.677 ( 3.770 -6.661 -8.662) 11.559 13.851 ( 4.315 5.197 2.014) 7.049 13.918 ( 1.883 4.375 -0.253) 4.769 14.146 ( -4.964 -2.133 6.167) 8.199 14.246 ( 0.738 -3.153 3.478) 4.752 14.338 ( 0.536 -2.055 3.339) 3.957 14.388 ( -3.057 -3.375 3.508) 5.748 14.438 ( 1.914 -0.507 3.178) 3.745 14.564 ( -0.019 -4.079 -1.427) 4.321 14.733 ( 1.860 2.108 -2.848) 4.002 14.947 ( -0.967 -5.043 -0.166) 5.137 15.042 ( 3.613 8.122 1.684) 9.047 15.215 ( 2.945 0.562 -0.366) 3.021 15.473 ( 1.865 8.397 1.408) 8.717 15.573 ( 0.443 1.222 -0.691) 1.472 15.717 ( -0.905 4.595 -3.334) 5.749 15.821 ( -3.332 -2.217 -5.192) 6.556 16.670 ( -1.054 -0.060 0.068) 1.058 16.783 ( -0.435 -4.119 -3.175) 5.219 17.550 ( -1.048 1.825 1.507) 2.588 17.765 ( -0.425 -5.675 -2.896) 6.385 18.169 ( 3.717 3.285 1.561) 5.201 18.511 ( -4.320 -9.969 -5.771) 12.302 19.257 ( 5.055 1.713 7.307) 9.048 19.426 ( 0.912 -5.802 6.482) 8.747 19.779 ( -0.933 6.553 -0.252) 6.624 20.029 ( 0.445 -4.421 -8.130) 9.265 20.666 ( -9.300 3.365 7.296) 12.290 20.792 ( 1.271 -0.035 0.290) 1.304 21.221 ( 2.733 1.439 4.242) 5.247 21.355 ( 6.054 -3.022 3.057) 7.425 21.633 ( 2.770 3.036 -1.475) 4.367 21.733 ( -0.293 0.322 -0.583) 0.728 21.986 ( -3.552 1.174 -2.237) 4.358 22.091 ( -4.866 -2.063 0.192) 5.289 22.197 ( 1.071 1.559 0.051) 1.892 22.256 ( -0.506 0.178 -4.735) 4.765 22.391 ( 1.247 -0.359 0.211) 1.315 22.401 ( 1.245 -0.210 -1.056) 1.646 27.720 ( 2.321 5.422 -1.616) 6.116 27.852 ( -5.529 3.707 -7.696) 10.175 28.136 ( 1.341 -6.804 4.528) 8.282 28.232 ( -1.878 -6.252 -2.220) 6.895 28.458 ( 2.307 1.458 3.502) 4.439 28.540 ( 0.006 1.118 0.729) 1.335 28.615 ( 1.940 -3.389 2.005) 4.390 28.642 ( 0.035 -3.683 1.809) 4.103 28.849 ( -0.658 4.308 3.097) 5.347 28.926 ( -0.049 1.422 8.455) 8.574 29.061 ( -1.558 7.023 -0.233) 7.197 29.282 ( -3.861 -3.323 -6.742) 8.450 29.378 ( -1.540 -0.021 -0.835) 1.752 29.528 ( -2.254 -0.821 -1.741) 2.964 29.557 ( 3.205 2.384 3.542) 5.338 29.666 ( 3.017 0.024 5.756) 6.499 29.777 ( 2.116 4.923 2.399) 5.870 29.873 ( 1.168 5.999 -2.894) 6.762 30.155 ( -0.009 1.219 -0.275) 1.250 30.192 ( -0.717 -0.959 -1.818) 2.177 30.266 ( -2.045 -3.810 1.702) 4.647 30.321 ( 2.933 -3.675 0.439) 4.723 30.759 ( -0.740 1.983 0.200) 2.126 30.806 ( 1.134 0.832 -1.079) 1.772 31.027 ( -6.634 -0.621 -6.652) 9.415 31.133 ( -0.308 -2.616 -5.949) 6.506 31.298 ( 0.649 0.141 1.229) 1.397 31.338 ( 2.327 0.045 -0.629) 2.411 31.455 ( -3.173 0.117 -7.086) 7.765 31.612 ( 4.849 -2.420 -9.142) 10.628 31.665 ( 3.896 0.819 0.214) 3.987 31.697 ( -2.859 1.606 2.418) 4.075 31.829 ( -0.659 -2.590 -3.827) 4.668 31.867 ( -1.272 -1.589 2.066) 2.900 32.171 ( 1.543 -0.405 12.839) 12.938 32.311 ( -0.506 -2.827 11.363) 11.720 32.572 ( 0.089 3.330 -0.616) 3.388 32.840 ( 0.670 -5.200 -4.038) 6.618 33.099 ( -3.494 9.608 -0.607) 10.242 33.225 ( 4.048 4.101 -0.607) 5.795 34.476 ( 2.058 -1.112 1.407) 2.730 34.609 ( -3.191 -5.129 -1.847) 6.316 ======================= Grid point 58 (29/63) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 2.953 12.258 10.839) 16.627 1.179 ( 1.247 2.384 0.490) 2.735 1.310 ( 2.104 0.724 -2.203) 3.131 1.453 ( -2.070 9.103 -1.748) 9.498 1.515 ( -14.907 9.865 -13.517) 22.411 1.630 ( -5.278 11.970 -6.352) 14.543 1.799 ( -6.937 1.216 0.695) 7.077 1.941 ( 4.349 -4.005 6.493) 8.782 2.015 ( 0.627 7.612 -3.964) 8.605 2.114 ( 0.457 5.707 7.035) 9.070 2.147 ( 4.157 10.524 -0.594) 11.331 2.201 ( 0.187 -4.783 -3.387) 5.864 2.262 ( -2.946 2.802 -4.777) 6.273 2.363 ( 1.237 3.970 -3.898) 5.700 2.421 ( 0.936 -0.474 1.398) 1.748 2.506 ( -4.815 3.378 0.780) 5.933 2.536 ( 3.007 4.959 -1.244) 5.932 2.579 ( -5.290 1.801 2.083) 5.964 2.619 ( 4.533 0.220 -1.689) 4.842 2.669 ( 2.080 10.526 0.370) 10.736 2.700 ( 2.824 -2.251 0.611) 3.663 2.771 ( -2.203 7.164 -0.773) 7.535 2.819 ( -5.095 2.204 -1.387) 5.722 2.862 ( 2.763 4.176 3.548) 6.137 2.902 ( -2.172 10.276 -0.019) 10.503 2.985 ( 1.879 1.916 1.348) 3.003 3.053 ( -1.867 -0.114 -1.870) 2.644 3.096 ( 0.512 0.468 -2.440) 2.536 3.181 ( 2.913 4.789 0.431) 5.622 3.225 ( 2.403 3.186 -1.700) 4.338 3.297 ( -1.460 1.386 -3.163) 3.750 3.328 ( -1.319 -3.992 0.575) 4.244 3.366 ( -1.231 0.768 -0.907) 1.711 3.479 ( -2.756 2.206 -4.568) 5.773 3.496 ( 2.565 0.083 2.639) 3.681 3.570 ( 5.445 1.277 -0.916) 5.667 3.692 ( -1.438 4.360 0.264) 4.598 3.744 ( 0.493 -0.830 -2.310) 2.503 3.858 ( 4.086 -8.522 2.020) 9.665 3.905 ( 2.603 0.686 0.961) 2.858 3.993 ( -6.229 -2.135 2.217) 6.948 4.032 ( -9.545 -2.729 -0.683) 9.951 4.082 ( -3.763 -0.974 -1.186) 4.063 4.176 ( 3.545 -0.084 3.629) 5.074 4.233 ( -2.694 -6.519 -6.316) 9.468 4.276 ( -3.508 -3.820 -4.231) 6.693 4.352 ( 2.241 0.833 3.270) 4.051 4.460 ( 6.918 -2.590 1.354) 7.510 4.549 ( 0.358 3.580 -2.467) 4.363 4.620 ( 5.311 -3.516 7.197) 9.610 4.683 ( 6.388 0.779 8.025) 10.287 4.749 ( 2.545 2.115 5.082) 6.064 4.778 ( -3.088 -2.478 2.806) 4.853 4.884 ( -1.378 1.730 0.155) 2.217 4.982 ( 0.009 1.716 0.015) 1.716 5.069 ( 5.314 -4.213 0.683) 6.815 5.072 ( -0.382 -9.038 0.101) 9.047 5.202 ( 0.615 -5.850 2.909) 6.562 5.304 ( 2.110 -0.024 3.537) 4.119 5.323 ( 1.547 0.680 0.346) 1.725 5.469 ( -2.204 -3.512 -1.258) 4.333 5.590 ( -4.333 1.199 1.641) 4.786 5.703 ( 5.383 -5.707 -1.058) 7.917 5.758 ( -0.584 0.423 -3.867) 3.934 5.812 ( -1.642 -3.413 2.378) 4.472 5.950 ( -0.773 -7.801 3.446) 8.563 6.103 ( -0.231 -1.685 1.111) 2.032 6.214 ( 0.267 -10.422 3.706) 11.065 6.217 ( 2.301 -7.386 0.604) 7.760 6.307 ( 2.530 -12.519 -0.764) 12.795 6.521 ( -4.228 2.127 -14.527) 15.279 6.567 ( -0.720 -0.640 -1.611) 1.877 6.798 ( 2.007 -2.765 12.018) 12.494 6.857 ( 1.543 0.320 -1.978) 2.529 6.977 ( -4.869 -6.952 0.851) 8.530 7.024 ( 11.309 -1.488 10.009) 15.175 7.132 ( -0.778 -0.324 -5.288) 5.355 7.235 ( 5.243 -1.207 -5.027) 7.363 7.431 ( 0.006 3.199 7.332) 7.999 7.571 ( -4.314 7.101 -1.918) 8.527 7.685 ( -7.354 -2.480 -5.619) 9.582 7.794 ( 0.917 2.208 -2.729) 3.628 7.848 ( -5.154 -3.877 -9.860) 11.782 8.109 ( 6.936 -1.037 -5.246) 8.758 8.180 ( -13.174 -2.042 1.030) 13.371 8.295 ( -7.374 -3.241 -3.371) 8.732 8.398 ( 0.191 -4.509 0.845) 4.591 8.578 ( -3.162 -3.962 3.453) 6.133 8.667 ( 0.030 3.095 4.368) 5.354 8.787 ( 0.515 2.294 -0.155) 2.356 8.904 ( 5.354 6.135 -4.877) 9.492 8.982 ( 6.855 -1.105 1.858) 7.188 9.129 ( -3.303 7.018 -4.088) 8.768 9.262 ( -1.451 9.493 -3.539) 10.235 9.424 ( -2.887 3.915 6.139) 7.833 9.491 ( -2.483 2.161 -4.847) 5.859 9.667 ( 0.680 -0.750 -4.065) 4.189 9.672 ( -1.783 -2.254 0.217) 2.882 9.867 ( 5.954 5.544 1.995) 8.377 9.905 ( -2.103 3.532 -4.901) 6.397 9.970 ( 0.319 2.045 5.338) 5.725 10.047 ( 0.755 -0.880 4.236) 4.392 10.097 ( -6.089 0.916 0.876) 6.219 10.169 ( 5.044 -0.379 3.653) 6.239 10.197 ( 1.331 -1.197 -0.601) 1.888 10.308 ( 7.996 -2.304 1.985) 8.554 10.416 ( 4.042 -3.579 5.365) 7.611 10.443 ( 1.983 -2.975 1.851) 4.026 10.952 ( 1.573 4.607 3.093) 5.768 11.105 ( -5.814 -0.497 -5.541) 8.047 11.377 ( 3.368 1.287 4.768) 5.978 11.415 ( -0.701 1.448 -1.538) 2.226 11.571 ( 2.418 5.785 3.955) 7.413 11.593 ( -2.643 2.910 -0.433) 3.955 11.618 ( -3.366 10.901 4.446) 12.245 11.774 ( -0.092 0.576 -0.634) 0.862 11.795 ( -0.433 2.403 -1.793) 3.030 12.025 ( 5.599 8.341 2.717) 10.407 12.175 ( -8.954 -2.273 -2.540) 9.581 12.264 ( -2.629 -3.260 6.113) 7.410 12.376 ( 7.458 -1.643 -4.480) 8.854 12.468 ( 1.677 -2.972 -2.887) 4.470 12.658 ( 5.999 2.072 4.221) 7.622 12.752 ( -2.740 0.929 -7.356) 7.905 12.985 ( -2.332 -2.233 -0.110) 3.231 13.054 ( -4.525 -2.669 2.169) 5.684 13.303 ( 1.928 1.327 -5.541) 6.015 13.373 ( -0.189 -3.283 0.141) 3.292 13.468 ( -2.554 -4.672 -3.648) 6.454 13.633 ( 4.415 -9.654 -8.812) 13.796 13.870 ( -4.220 3.271 -0.455) 5.358 13.936 ( 1.684 0.311 -2.468) 3.004 14.164 ( -0.142 -1.744 4.433) 4.766 14.314 ( 4.104 -3.480 2.122) 5.784 14.381 ( -0.036 1.104 3.154) 3.341 14.402 ( -2.735 0.164 6.339) 6.905 14.464 ( 0.652 0.594 -1.283) 1.557 14.603 ( 0.373 -5.044 5.624) 7.564 14.727 ( 2.389 0.321 -4.195) 4.838 14.909 ( -3.992 -5.904 -0.384) 7.137 15.107 ( 4.065 6.845 -2.391) 8.312 15.247 ( 1.996 1.231 -1.687) 2.889 15.501 ( -1.801 4.800 -0.224) 5.132 15.547 ( -5.002 4.212 -1.573) 6.726 15.621 ( -3.855 -0.157 -0.076) 3.859 15.678 ( -5.136 -0.432 -5.705) 7.689 16.697 ( 4.410 -0.538 0.208) 4.447 16.787 ( 5.932 -2.968 -2.202) 6.989 17.549 ( -2.486 2.120 3.725) 4.954 17.678 ( -4.193 -2.829 -4.123) 6.526 18.317 ( 6.017 -4.478 2.910) 8.045 18.376 ( 0.120 -5.539 -4.648) 7.232 19.401 ( -1.817 -1.491 7.728) 8.078 19.423 ( -8.663 -3.343 -0.804) 9.320 19.730 ( -2.519 5.261 2.169) 6.223 19.925 ( -2.327 -2.605 -6.053) 6.989 20.559 ( -11.771 5.322 3.761) 13.455 20.816 ( -1.010 -4.922 5.000) 7.089 21.342 ( 3.677 1.305 4.838) 6.215 21.481 ( 2.202 -4.707 0.760) 5.252 21.640 ( -0.265 4.772 -8.529) 9.777 21.720 ( 8.216 2.510 -1.173) 8.671 22.013 ( -0.854 -1.070 3.864) 4.099 22.029 ( 3.320 -1.842 2.645) 4.627 22.157 ( -1.539 3.428 -4.816) 6.109 22.253 ( 4.056 1.198 -1.651) 4.540 22.395 ( 1.039 -0.000 -0.845) 1.340 22.441 ( 3.772 -1.207 -0.775) 4.036 27.687 ( -5.047 5.755 -5.891) 9.659 27.768 ( 4.206 4.446 0.957) 6.195 28.147 ( -2.617 -8.232 -0.843) 8.679 28.227 ( 2.242 -9.239 1.829) 9.681 28.518 ( 0.699 2.515 1.457) 2.989 28.567 ( 3.038 2.886 1.201) 4.359 28.652 ( 0.316 -1.225 1.548) 1.999 28.697 ( 3.180 -3.811 1.623) 5.222 28.879 ( -1.115 7.002 4.945) 8.644 28.951 ( -4.923 6.897 0.111) 8.474 29.091 ( 1.795 -2.029 7.327) 7.812 29.168 ( -3.879 -2.448 -3.475) 5.754 29.374 ( 0.333 1.183 1.259) 1.760 29.450 ( -1.970 1.529 -1.425) 2.872 29.684 ( 4.507 2.148 4.136) 6.483 29.764 ( 1.232 1.316 1.111) 2.117 29.791 ( 1.552 1.200 0.370) 1.996 29.878 ( 3.394 2.693 -5.502) 7.003 30.154 ( -0.776 0.981 -0.557) 1.369 30.174 ( 2.433 1.161 -0.427) 2.730 30.233 ( -3.403 -3.264 0.491) 4.740 30.326 ( -3.743 -1.005 -0.309) 3.888 30.667 ( -11.946 -0.340 -0.740) 11.974 30.847 ( 0.470 -1.868 -1.012) 2.176 30.875 ( 0.386 -0.524 -2.996) 3.066 31.089 ( 3.661 -3.075 -2.641) 5.462 31.305 ( 0.966 4.140 -4.655) 6.304 31.347 ( 2.300 2.149 -0.337) 3.166 31.378 ( -0.963 -1.721 -1.659) 2.577 31.571 ( 5.713 -3.185 -10.074) 12.011 31.661 ( -4.788 1.298 1.762) 5.265 31.697 ( -1.836 1.116 0.064) 2.149 31.795 ( 0.040 -0.255 1.467) 1.490 31.906 ( 2.747 -4.018 0.209) 4.872 32.336 ( -0.295 0.828 12.998) 13.028 32.418 ( -1.482 -1.225 8.793) 9.000 32.580 ( 2.039 2.725 -0.671) 3.468 32.798 ( 2.936 -3.972 -8.271) 9.634 33.030 ( -5.026 8.270 0.316) 9.683 33.283 ( 4.465 1.125 -1.414) 4.817 34.475 ( -5.696 -2.567 -0.821) 6.302 34.567 ( 1.957 -3.167 1.998) 4.226 ======================= Grid point 59 (30/63) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -10.077 12.112 -7.995) 17.668 1.134 ( -12.968 9.644 -0.606) 16.172 1.188 ( -6.337 12.355 0.902) 13.915 1.303 ( -2.220 2.939 9.241) 9.948 1.375 ( 0.488 18.529 0.369) 18.539 1.451 ( -9.915 4.647 -6.241) 12.604 1.639 ( 3.044 15.117 -4.093) 15.955 1.857 ( -16.161 27.942 -6.046) 32.841 2.003 ( -9.708 4.634 -1.196) 10.824 2.093 ( 3.753 1.782 -8.667) 9.611 2.180 ( 0.506 -4.479 7.682) 8.907 2.226 ( -3.974 14.074 -3.451) 15.026 2.279 ( 3.967 -6.174 3.371) 8.076 2.393 ( 1.562 -0.089 -0.464) 1.632 2.435 ( 1.120 2.464 -1.544) 3.116 2.494 ( 2.040 4.215 -0.169) 4.685 2.529 ( -2.443 -4.219 6.343) 8.000 2.541 ( 0.695 -1.488 -3.984) 4.310 2.653 ( 2.073 1.297 -0.447) 2.486 2.674 ( 2.788 -5.414 1.096) 6.188 2.716 ( -0.902 2.713 -1.267) 3.127 2.772 ( 2.624 -1.423 0.479) 3.023 2.815 ( -0.050 2.487 5.412) 5.956 2.877 ( 0.968 2.002 0.178) 2.231 2.929 ( -2.511 1.943 -0.583) 3.228 2.961 ( -1.150 0.070 -3.576) 3.757 3.067 ( -1.577 -0.066 0.350) 1.617 3.107 ( 1.657 5.368 4.423) 7.150 3.223 ( 4.527 3.860 -5.157) 7.873 3.256 ( 2.759 1.119 2.402) 3.826 3.262 ( -1.774 1.437 -2.588) 3.451 3.320 ( 4.457 -3.902 -6.505) 8.798 3.335 ( 7.293 3.755 3.259) 8.827 3.402 ( -4.089 -0.548 1.971) 4.573 3.507 ( -1.243 0.853 -1.553) 2.165 3.599 ( 1.122 2.394 0.254) 2.656 3.666 ( -2.753 -0.402 -0.922) 2.931 3.762 ( -2.290 1.801 -2.079) 3.579 3.874 ( -1.195 1.714 0.399) 2.127 3.895 ( -3.711 2.530 0.712) 4.548 3.964 ( -0.602 -8.865 -0.659) 8.910 4.065 ( 7.315 0.383 4.117) 8.403 4.107 ( 5.295 -2.623 6.798) 9.007 4.153 ( -2.659 -5.828 1.560) 6.593 4.213 ( 1.857 2.132 -2.617) 3.853 4.246 ( 0.022 -4.743 2.526) 5.373 4.442 ( 4.459 -2.112 1.599) 5.187 4.467 ( -1.960 1.924 0.872) 2.882 4.579 ( 0.765 1.943 -1.106) 2.363 4.654 ( -2.856 -0.902 -2.914) 4.178 4.685 ( -4.121 -5.321 0.305) 6.737 4.802 ( 3.860 -3.596 2.105) 5.679 4.888 ( 10.422 8.083 -2.104) 13.356 4.969 ( 1.838 -0.210 3.940) 4.352 5.010 ( 2.704 1.320 -1.474) 3.350 5.120 ( 3.111 -0.150 -4.960) 5.857 5.163 ( 1.094 -0.594 5.135) 5.284 5.230 ( -1.369 -4.484 4.171) 6.275 5.365 ( 0.874 -8.388 2.052) 8.680 5.372 ( 3.767 -7.768 -0.123) 8.634 5.451 ( -0.066 -2.832 7.289) 7.820 5.509 ( -2.508 3.426 -5.352) 6.831 5.630 ( -1.078 -0.993 -6.645) 6.804 5.784 ( 5.485 -0.909 -0.455) 5.579 5.885 ( 1.742 -1.342 5.287) 5.726 5.964 ( -0.771 -8.703 0.436) 8.748 6.093 ( -5.683 -3.498 -7.782) 10.251 6.201 ( -5.374 -1.894 1.992) 6.036 6.236 ( 0.889 -11.010 -0.566) 11.060 6.317 ( -0.646 -12.615 1.948) 12.781 6.384 ( 3.935 -2.628 4.680) 6.655 6.538 ( 3.063 -1.224 -1.791) 3.754 6.843 ( -4.870 -3.956 -3.239) 7.060 6.908 ( -3.262 -4.556 4.028) 6.901 7.044 ( 2.204 -0.527 -2.794) 3.598 7.077 ( 6.051 1.299 11.463) 13.027 7.116 ( -3.675 -1.426 -13.106) 13.686 7.292 ( -0.747 -4.291 -1.433) 4.585 7.454 ( 2.453 1.977 -4.894) 5.821 7.534 ( 7.194 3.260 4.740) 9.211 7.618 ( 0.045 3.552 -2.171) 4.164 7.681 ( 2.367 1.602 5.298) 6.020 7.817 ( -7.158 -1.655 -0.569) 7.369 7.986 ( -9.508 7.825 2.667) 12.599 8.103 ( -8.969 -12.329 -2.989) 15.536 8.193 ( 6.775 1.822 -4.208) 8.181 8.397 ( -4.250 -0.772 4.300) 6.095 8.605 ( -2.454 -8.356 4.562) 9.832 8.716 ( -2.070 2.446 2.709) 4.196 8.769 ( -0.492 3.323 -2.408) 4.133 8.945 ( -4.452 6.589 -4.456) 9.115 8.997 ( 6.347 3.458 -3.108) 7.868 9.051 ( 2.740 1.408 0.797) 3.182 9.211 ( -3.434 4.361 -1.319) 5.706 9.348 ( -2.744 8.462 -5.436) 10.425 9.480 ( -1.822 3.556 5.292) 6.631 9.659 ( 2.153 -1.913 -1.759) 3.375 9.689 ( -0.326 -2.151 1.970) 2.935 9.821 ( -2.515 0.917 -0.583) 2.740 9.938 ( -0.986 3.896 -0.334) 4.033 9.978 ( 4.063 4.421 0.251) 6.010 10.064 ( -0.908 -0.532 0.767) 1.302 10.120 ( 1.075 -3.643 3.233) 4.987 10.190 ( 0.243 -1.758 -1.224) 2.156 10.373 ( 8.802 0.284 5.871) 10.584 10.425 ( 6.157 -2.799 -2.101) 7.082 10.478 ( 2.390 0.332 1.027) 2.623 10.558 ( 6.822 -3.192 2.250) 7.861 10.945 ( -2.918 4.877 -4.506) 7.253 11.041 ( 3.070 1.653 3.619) 5.026 11.359 ( -5.570 0.923 0.943) 5.724 11.420 ( -2.887 0.821 -0.825) 3.113 11.528 ( -0.620 6.066 -0.933) 6.168 11.640 ( 2.030 0.093 6.191) 6.516 11.722 ( 0.386 6.385 7.552) 9.897 11.767 ( 0.054 0.288 -2.924) 2.939 11.839 ( 4.948 5.698 5.061) 9.086 11.980 ( -6.717 0.933 -6.756) 9.573 12.089 ( -2.048 3.973 -1.826) 4.829 12.162 ( -5.492 4.134 -4.502) 8.217 12.425 ( 10.518 -0.707 -0.336) 10.547 12.530 ( 3.392 4.687 -2.131) 6.165 12.716 ( -7.140 -3.027 0.875) 7.804 12.791 ( 10.434 -6.906 3.651) 13.035 12.981 ( 3.645 3.662 4.425) 6.803 13.122 ( 1.661 -2.588 5.619) 6.405 13.253 ( 1.785 4.197 -3.553) 5.781 13.359 ( -3.110 -5.281 0.964) 6.204 13.400 ( -3.989 -2.184 1.048) 4.667 13.582 ( 3.144 -11.672 -11.121) 16.425 13.732 ( -10.204 1.839 -3.109) 10.825 13.885 ( -1.598 -5.912 -6.289) 8.778 14.255 ( 4.446 0.937 4.795) 6.605 14.378 ( -1.287 1.479 3.637) 4.131 14.435 ( 1.192 1.958 1.498) 2.738 14.437 ( 1.833 -0.428 3.517) 3.989 14.480 ( 0.852 -1.866 1.954) 2.833 14.637 ( -1.253 -6.225 0.222) 6.353 14.702 ( 0.605 -1.943 -3.234) 3.821 14.798 ( -5.182 -4.559 -8.231) 10.742 15.053 ( -2.169 3.467 -9.323) 10.180 15.168 ( -8.280 -1.574 -7.422) 11.230 15.387 ( -5.405 6.945 0.330) 8.806 15.486 ( -5.948 0.900 0.058) 6.016 15.521 ( -0.952 4.283 0.778) 4.456 15.697 ( 0.987 -1.645 5.064) 5.415 16.800 ( 7.680 -0.290 1.583) 7.847 16.901 ( 10.599 -2.476 -0.224) 10.886 17.537 ( -5.888 -1.977 -1.192) 6.324 17.585 ( -4.357 -1.892 2.930) 5.581 18.247 ( -0.801 0.700 -4.495) 4.619 18.548 ( 8.817 -8.414 4.507) 12.994 19.189 ( -12.259 2.441 -5.208) 13.541 19.362 ( -8.844 -3.405 0.635) 9.498 19.736 ( -4.390 -0.723 -2.106) 4.923 19.836 ( -3.207 -1.968 1.757) 4.152 20.454 ( -7.586 9.919 3.951) 13.097 20.912 ( 2.712 -7.704 8.993) 12.148 21.297 ( -6.106 0.217 -5.395) 8.151 21.402 ( -5.270 -4.446 -7.827) 10.431 21.644 ( 7.043 7.116 -1.783) 10.169 21.851 ( 7.715 -3.504 2.788) 8.920 22.058 ( -2.036 1.826 0.364) 2.759 22.097 ( 3.946 3.462 1.176) 5.379 22.180 ( 6.447 0.364 2.905) 7.081 22.303 ( 4.903 -0.263 -0.869) 4.986 22.410 ( 1.855 1.271 -0.221) 2.259 22.484 ( 4.254 -1.652 -1.907) 4.946 27.573 ( -3.420 7.559 -2.123) 8.564 27.863 ( 4.467 2.290 3.665) 6.215 28.096 ( -4.017 -9.062 0.900) 9.953 28.291 ( 3.054 -9.710 1.505) 10.289 28.541 ( 3.345 3.429 -1.460) 5.008 28.629 ( 3.510 2.160 0.378) 4.139 28.658 ( 0.952 -1.272 -2.639) 3.080 28.750 ( 2.722 -2.363 0.334) 3.620 28.867 ( -3.987 5.461 -0.656) 6.793 28.974 ( 0.795 8.926 11.515) 14.591 29.059 ( -5.234 -2.376 -2.371) 6.217 29.197 ( 1.291 -0.843 2.129) 2.629 29.379 ( -0.030 4.672 2.987) 5.545 29.505 ( 3.470 -1.136 6.180) 7.178 29.676 ( -1.659 2.650 -9.458) 9.961 29.770 ( 0.315 -0.260 -2.687) 2.718 29.835 ( 3.034 -0.461 -1.410) 3.378 29.843 ( 0.531 -1.829 -2.372) 3.042 30.149 ( -1.138 6.093 0.029) 6.198 30.176 ( -4.661 0.482 0.599) 4.724 30.236 ( -1.447 -0.481 -2.019) 2.530 30.241 ( 3.879 -0.384 1.235) 4.089 30.438 ( -14.685 0.093 -0.346) 14.690 30.829 ( -0.797 8.448 3.693) 9.254 30.932 ( 4.638 -11.304 0.412) 12.226 31.156 ( 3.345 -4.998 1.207) 6.134 31.257 ( -0.163 2.499 -2.678) 3.667 31.340 ( -2.413 -0.897 -1.152) 2.821 31.415 ( 7.312 4.204 -0.228) 8.437 31.551 ( 3.298 -2.555 -5.855) 7.190 31.600 ( -2.708 -0.175 -1.276) 2.998 31.662 ( -3.049 -1.439 2.172) 4.010 31.840 ( 0.405 1.658 4.057) 4.402 31.916 ( 0.023 -3.071 -2.809) 4.162 32.447 ( -1.689 -0.076 5.541) 5.793 32.468 ( -0.601 -0.570 3.552) 3.647 32.631 ( 2.920 2.814 3.852) 5.593 32.719 ( 3.911 -0.328 -13.620) 14.175 32.960 ( -5.850 7.890 1.620) 9.955 33.314 ( 2.585 -2.424 -2.190) 4.166 34.376 ( -4.528 2.434 -0.884) 5.217 34.650 ( 2.176 -6.686 4.504) 8.351 ======================= Grid point 60 (31/63) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -9.911 16.028 2.116) 18.963 0.852 ( -14.201 17.462 6.199) 23.346 1.153 ( -7.500 21.812 1.911) 23.144 1.264 ( 1.510 0.247 -0.288) 1.557 1.383 ( -17.219 11.601 0.240) 20.764 1.498 ( 4.882 10.702 6.847) 13.611 1.595 ( -7.608 39.206 12.771) 41.929 1.757 ( 9.945 14.338 1.813) 17.543 1.930 ( -4.050 1.943 0.592) 4.531 2.048 ( -0.730 -5.364 -3.649) 6.528 2.110 ( 2.086 0.437 -4.115) 4.634 2.272 ( -2.347 3.668 3.548) 5.617 2.277 ( -0.677 1.528 3.728) 4.085 2.364 ( -1.710 6.494 -0.971) 6.785 2.460 ( 0.338 -0.006 -3.948) 3.962 2.472 ( -0.607 0.508 -1.116) 1.368 2.511 ( 1.478 1.983 -1.130) 2.719 2.604 ( 6.429 4.986 1.131) 8.214 2.633 ( -3.182 -1.729 -2.489) 4.394 2.693 ( -4.528 0.512 0.393) 4.574 2.734 ( -0.660 0.717 -0.381) 1.046 2.793 ( 0.683 3.566 0.449) 3.659 2.812 ( 0.464 -2.686 -6.143) 6.721 2.856 ( -0.778 0.017 3.051) 3.149 2.937 ( 2.249 -4.424 -2.747) 5.672 2.973 ( 2.948 -3.485 4.004) 6.072 3.026 ( -4.962 -3.274 0.444) 5.961 3.126 ( -0.734 4.097 0.605) 4.206 3.179 ( 0.869 0.910 0.400) 1.320 3.242 ( -0.068 2.683 -0.534) 2.736 3.315 ( 3.283 0.355 0.027) 3.302 3.362 ( 1.253 0.108 1.037) 1.631 3.406 ( -2.738 -2.020 0.354) 3.421 3.461 ( 5.639 -0.710 -1.359) 5.844 3.546 ( 5.913 -0.456 -0.137) 5.932 3.621 ( -2.179 2.352 5.142) 6.060 3.636 ( 5.788 -0.160 -0.600) 5.822 3.676 ( -4.849 -1.322 -2.956) 5.831 3.822 ( -8.494 1.285 2.037) 8.829 3.914 ( 0.094 -7.602 2.096) 7.886 4.018 ( 6.069 -2.882 5.215) 8.505 4.098 ( -0.553 -0.067 -2.024) 2.100 4.147 ( -2.794 -2.610 -2.657) 4.656 4.171 ( -1.243 0.258 2.349) 2.670 4.302 ( 2.799 1.996 3.441) 4.864 4.359 ( 9.928 3.489 4.062) 11.280 4.441 ( -1.694 1.831 2.526) 3.550 4.531 ( -0.713 6.707 -2.253) 7.111 4.599 ( 0.585 -0.068 3.877) 3.922 4.639 ( 0.702 -3.759 4.456) 5.872 4.703 ( 7.375 -1.137 0.926) 7.520 4.786 ( -3.118 -6.945 -7.023) 10.358 4.874 ( -0.899 2.647 -4.368) 5.186 4.959 ( -5.276 -0.486 -10.536) 11.793 5.002 ( 0.825 2.748 -1.610) 3.290 5.078 ( 6.553 2.492 -4.765) 8.477 5.164 ( 0.367 -0.328 -1.827) 1.892 5.250 ( 0.389 -1.782 0.474) 1.885 5.319 ( -1.329 -3.583 -4.339) 5.782 5.395 ( 0.683 -9.067 -3.175) 9.631 5.464 ( 5.228 -7.781 -5.240) 10.740 5.580 ( 3.744 -0.032 -0.792) 3.827 5.628 ( 0.038 -3.920 6.656) 7.724 5.864 ( 3.866 -1.688 -3.288) 5.349 5.891 ( -0.575 -5.570 -4.481) 7.172 5.932 ( -2.621 -4.609 -0.975) 5.391 6.012 ( -1.493 -4.351 3.902) 6.032 6.129 ( -5.090 -6.795 0.060) 8.491 6.218 ( -0.448 -6.427 -3.684) 7.421 6.344 ( 4.309 -13.956 5.677) 15.670 6.585 ( 3.819 -2.423 9.707) 10.709 6.628 ( -0.636 -2.563 2.023) 3.327 6.737 ( -8.098 -0.403 -10.965) 13.638 6.790 ( 0.561 1.423 -0.045) 1.530 6.964 ( -2.291 -5.423 -2.883) 6.555 6.977 ( 1.362 -6.158 3.652) 7.288 7.225 ( 0.502 2.568 -9.097) 9.466 7.342 ( 6.132 2.877 2.365) 7.175 7.382 ( 1.272 8.250 6.771) 10.749 7.630 ( -8.446 1.972 -1.851) 8.868 7.649 ( -6.764 -0.327 -0.994) 6.845 7.765 ( 0.048 0.580 2.650) 2.713 7.800 ( 8.809 -1.770 5.451) 10.509 7.969 ( -4.958 -9.283 8.862) 13.758 7.998 ( 8.379 1.460 -1.075) 8.573 8.257 ( 3.064 -1.748 -2.951) 4.599 8.389 ( -4.487 2.001 3.638) 6.113 8.535 ( -7.189 4.446 -2.570) 8.835 8.603 ( -2.208 -9.008 -4.793) 10.440 8.747 ( -3.861 -1.178 -0.406) 4.057 8.817 ( -6.636 7.905 0.903) 10.360 9.122 ( 4.886 2.687 3.511) 6.589 9.129 ( 5.532 0.773 2.812) 6.254 9.214 ( 2.535 2.371 0.815) 3.566 9.286 ( -1.989 14.059 1.113) 14.243 9.466 ( -1.984 3.734 -2.507) 4.916 9.629 ( -2.665 -1.208 -0.454) 2.961 9.711 ( 0.252 -0.575 2.076) 2.169 9.851 ( 1.072 -2.142 4.439) 5.044 9.972 ( 1.163 -3.889 -0.759) 4.129 9.989 ( 1.762 0.848 0.602) 2.046 10.051 ( -0.207 0.871 -1.906) 2.105 10.131 ( -3.237 -0.612 -2.233) 3.979 10.168 ( 0.624 -3.452 -0.117) 3.510 10.454 ( 4.547 0.906 -3.409) 5.755 10.507 ( 2.929 -0.157 -1.049) 3.115 10.539 ( 4.579 2.825 0.591) 5.413 10.626 ( 2.562 -1.356 -3.409) 4.475 10.924 ( 2.467 8.228 0.660) 8.616 11.134 ( 6.631 1.317 -0.740) 6.801 11.268 ( -5.781 0.232 0.118) 5.787 11.387 ( -7.783 -2.297 6.480) 10.385 11.528 ( -0.212 4.917 -0.721) 4.974 11.672 ( -3.737 1.703 -3.346) 5.297 11.692 ( -6.184 3.003 -3.448) 7.691 11.788 ( 5.368 -4.091 -1.904) 7.013 11.848 ( 1.662 5.507 1.395) 5.919 11.922 ( -4.542 -0.060 -1.275) 4.718 12.081 ( 6.960 7.447 2.700) 10.544 12.184 ( 9.635 2.105 0.322) 9.868 12.487 ( -5.413 4.805 -0.053) 7.238 12.583 ( -7.298 0.445 0.773) 7.352 12.689 ( 16.343 2.290 -1.099) 16.539 13.011 ( 9.467 -8.115 4.680) 13.318 13.122 ( 5.168 0.035 6.103) 7.997 13.144 ( 2.652 -0.147 -1.515) 3.058 13.223 ( -4.706 -1.193 -2.052) 5.271 13.339 ( -7.866 -2.284 -2.496) 8.562 13.372 ( -1.582 0.608 1.793) 2.467 13.440 ( 0.872 -2.158 -2.821) 3.657 13.573 ( -7.506 -0.152 -0.961) 7.569 13.756 ( -6.195 -12.067 -2.573) 13.806 14.344 ( -8.096 4.800 -0.369) 9.419 14.385 ( 4.145 1.187 2.923) 5.209 14.450 ( 3.652 -1.556 -0.939) 4.079 14.495 ( -1.416 -2.357 0.346) 2.772 14.511 ( 1.747 0.080 2.691) 3.209 14.582 ( -0.325 -1.193 -3.488) 3.701 14.625 ( -1.138 0.367 -1.446) 1.876 14.702 ( 3.975 -4.249 -2.986) 6.540 14.907 ( -7.115 -0.524 -1.608) 7.314 14.945 ( -9.249 -2.224 -1.665) 9.657 15.365 ( -1.708 3.043 4.290) 5.530 15.440 ( -2.542 0.051 1.221) 2.820 15.558 ( 2.295 7.704 1.441) 8.166 15.755 ( -0.442 -1.374 3.456) 3.745 16.934 ( 6.535 0.805 2.102) 6.912 17.058 ( 9.303 -3.330 -0.307) 9.886 17.360 ( -10.893 1.015 -3.714) 11.554 17.553 ( -6.047 -3.910 1.450) 7.345 18.239 ( 2.163 6.512 0.721) 6.900 18.631 ( -0.910 -6.887 -0.936) 7.009 19.084 ( 2.349 0.091 2.045) 3.116 19.215 ( -8.087 -4.332 -2.591) 9.533 19.585 ( -6.645 3.359 -3.420) 8.194 19.817 ( -3.236 -6.852 0.934) 7.636 20.408 ( -4.443 13.381 1.337) 14.163 21.019 ( -0.204 -8.398 -3.622) 9.148 21.215 ( -1.845 -0.669 -2.864) 3.472 21.240 ( -1.024 -6.478 4.273) 7.827 21.722 ( 3.836 9.615 2.257) 10.595 21.980 ( 5.375 -2.721 1.994) 6.346 22.036 ( -1.125 -0.403 -0.103) 1.199 22.141 ( -0.112 -0.300 0.714) 0.783 22.304 ( 6.037 2.723 1.657) 6.827 22.369 ( 3.368 0.672 0.412) 3.459 22.433 ( 0.868 1.132 0.016) 1.427 22.524 ( 4.395 -1.670 -2.010) 5.114 27.543 ( -1.059 8.030 2.483) 8.472 27.970 ( 2.766 0.210 4.951) 5.675 28.044 ( -6.067 -8.283 2.362) 10.535 28.335 ( 1.214 -8.432 0.151) 8.521 28.584 ( 6.544 2.660 -5.161) 8.748 28.622 ( 2.635 -0.791 -6.844) 7.377 28.682 ( 3.046 2.024 0.499) 3.691 28.798 ( 3.953 -2.054 -0.406) 4.473 28.818 ( -2.619 2.945 0.644) 3.994 28.940 ( -4.595 -1.692 -3.388) 5.954 29.114 ( -4.255 6.862 -9.308) 12.322 29.221 ( 3.453 -3.016 15.395) 16.063 29.478 ( 2.937 4.444 5.514) 7.667 29.492 ( -3.416 2.089 -5.890) 7.123 29.646 ( -1.638 -2.294 -4.487) 5.299 29.678 ( 3.715 -2.849 0.805) 4.750 29.779 ( 0.897 0.589 -6.068) 6.162 29.898 ( 1.111 -2.325 3.499) 4.345 30.049 ( -8.221 0.554 2.136) 8.512 30.142 ( -9.553 -5.270 2.457) 11.183 30.250 ( 3.514 1.917 0.550) 4.041 30.313 ( 3.714 5.408 2.836) 7.148 30.359 ( 4.100 11.011 0.681) 11.769 30.930 ( 3.169 4.820 9.640) 11.235 31.007 ( 2.614 -7.184 2.871) 8.166 31.145 ( -0.550 0.720 -1.649) 1.881 31.243 ( -4.692 -3.863 -1.714) 6.314 31.350 ( 7.006 -3.045 2.602) 8.070 31.464 ( -1.478 -3.744 -3.019) 5.032 31.504 ( -1.733 -3.723 -2.371) 4.742 31.614 ( 3.234 1.423 2.062) 4.091 31.658 ( -1.681 0.674 1.664) 2.460 31.832 ( -2.547 0.478 -6.044) 6.576 31.893 ( -0.702 -0.447 4.437) 4.515 32.403 ( -1.109 -0.603 -8.563) 8.655 32.441 ( -0.466 -0.318 -8.139) 8.158 32.661 ( 5.397 8.602 -3.644) 10.789 32.752 ( 2.304 4.280 8.226) 9.555 32.918 ( -2.511 3.828 4.298) 6.280 33.302 ( -1.313 -6.514 -1.677) 6.853 34.345 ( 1.709 6.848 -0.696) 7.092 34.668 ( -3.945 -7.351 -3.348) 8.989 ======================= Grid point 61 (32/63) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 8.709 -11.585 6.039) 15.701 1.130 ( 8.708 11.585 6.039) 15.701 1.399 ( -8.853 -20.245 5.922) 22.876 1.399 ( -8.853 20.245 5.922) 22.876 1.588 ( -0.954 -3.523 1.761) 4.052 1.588 ( -0.954 3.523 1.761) 4.052 1.699 ( 1.116 -9.770 8.980) 13.317 1.699 ( 1.116 9.770 8.980) 13.317 2.037 ( 3.042 -13.730 -6.921) 15.673 2.037 ( 3.042 13.730 -6.921) 15.673 2.293 ( -7.000 -5.101 -2.153) 8.925 2.293 ( -7.000 5.101 -2.153) 8.925 2.396 ( 1.013 -1.204 0.123) 1.578 2.396 ( 1.013 1.204 0.123) 1.578 2.466 ( -0.491 -1.511 3.122) 3.502 2.466 ( -0.491 1.511 3.122) 3.502 2.558 ( 4.512 -5.654 2.123) 7.539 2.558 ( 4.512 5.654 2.123) 7.539 2.665 ( -2.113 -3.009 -2.539) 4.468 2.665 ( -2.113 3.009 -2.539) 4.468 2.785 ( 1.849 -2.986 4.132) 5.423 2.785 ( 1.849 2.986 4.132) 5.423 2.880 ( -0.746 -2.454 -0.453) 2.605 2.880 ( -0.746 2.454 -0.453) 2.605 3.022 ( 0.941 -2.185 3.048) 3.867 3.022 ( 0.941 2.185 3.048) 3.867 3.143 ( 1.168 -12.508 5.438) 13.689 3.143 ( 1.168 12.508 5.438) 13.689 3.207 ( -2.109 -5.348 2.115) 6.126 3.207 ( -2.109 5.348 2.115) 6.126 3.311 ( -0.582 -4.229 0.154) 4.272 3.311 ( -0.582 4.229 0.154) 4.272 3.503 ( 2.671 -4.968 -2.291) 6.088 3.503 ( 2.671 4.968 -2.291) 6.088 3.626 ( 3.123 -5.011 0.215) 5.909 3.626 ( 3.123 5.011 0.215) 5.909 3.737 ( 5.276 -8.308 3.427) 10.421 3.737 ( 5.276 8.308 3.427) 10.421 3.793 ( -4.165 -7.388 6.859) 10.908 3.793 ( -4.165 7.388 6.859) 10.908 3.992 ( 1.930 -5.599 3.856) 7.067 3.992 ( 1.930 5.599 3.856) 7.067 4.056 ( -3.907 -5.642 -6.420) 9.398 4.056 ( -3.907 5.642 -6.420) 9.398 4.296 ( -8.194 -2.232 -13.914) 16.301 4.296 ( -8.194 2.232 -13.914) 16.301 4.462 ( -4.961 -2.977 -5.797) 8.190 4.462 ( -4.961 2.977 -5.797) 8.190 4.651 ( -2.289 -4.177 1.035) 4.874 4.651 ( -2.289 4.177 1.035) 4.874 4.740 ( 5.183 -1.143 0.163) 5.310 4.740 ( 5.183 1.143 0.163) 5.310 4.921 ( 8.087 -2.563 1.649) 8.642 4.921 ( 8.087 2.563 1.649) 8.642 5.061 ( -3.800 -10.923 0.859) 11.596 5.061 ( -3.800 10.923 0.859) 11.596 5.191 ( -1.488 -2.912 -4.333) 5.429 5.191 ( -1.488 2.912 -4.333) 5.429 5.249 ( 0.464 -5.422 -3.958) 6.730 5.249 ( 0.464 5.422 -3.958) 6.730 5.367 ( 2.646 -4.259 -2.880) 5.782 5.367 ( 2.646 4.259 -2.880) 5.782 5.707 ( 2.534 -8.015 1.268) 8.501 5.707 ( 2.534 8.015 1.268) 8.501 5.887 ( 4.467 -2.066 -4.639) 6.763 5.887 ( 4.467 2.066 -4.639) 6.763 6.039 ( -3.199 -3.846 -1.164) 5.136 6.039 ( -3.199 3.846 -1.164) 5.136 6.080 ( -3.105 -8.140 2.275) 9.004 6.080 ( -3.105 8.140 2.275) 9.004 6.533 ( 1.223 -6.684 -0.531) 6.816 6.533 ( 1.223 6.684 -0.531) 6.816 6.655 ( -2.894 -4.962 -7.984) 9.836 6.655 ( -2.894 4.962 -7.984) 9.836 7.085 ( 6.662 -0.579 13.140) 14.744 7.085 ( 6.662 0.579 13.140) 14.744 7.335 ( -4.175 -6.905 -11.248) 13.843 7.335 ( -4.175 6.905 -11.248) 13.843 7.451 ( 0.941 -5.446 -0.482) 5.547 7.451 ( 0.941 5.446 -0.482) 5.547 7.752 ( -0.545 -6.377 6.282) 8.968 7.752 ( -0.545 6.377 6.282) 8.968 7.859 ( -2.528 -4.028 6.610) 8.143 7.859 ( -2.528 4.028 6.610) 8.143 8.188 ( -2.426 -3.680 -7.194) 8.437 8.188 ( -2.426 3.680 -7.194) 8.437 8.339 ( -2.389 -7.097 7.572) 10.649 8.339 ( -2.389 7.097 7.572) 10.649 8.654 ( 6.610 -1.933 -3.171) 7.582 8.654 ( 6.610 1.933 -3.171) 7.582 9.058 ( -0.130 -10.480 4.806) 11.530 9.058 ( -0.130 10.480 4.806) 11.530 9.243 ( -1.191 -2.672 -1.470) 3.274 9.243 ( -1.191 2.672 -1.470) 3.274 9.464 ( -0.845 -3.228 -0.289) 3.349 9.464 ( -0.845 3.228 -0.289) 3.349 9.727 ( -1.618 -0.825 2.152) 2.815 9.727 ( -1.618 0.825 2.152) 2.815 9.841 ( 3.182 -7.687 3.830) 9.159 9.841 ( 3.182 7.687 3.830) 9.159 10.050 ( -1.387 -3.146 0.254) 3.448 10.050 ( -1.387 3.146 0.254) 3.448 10.109 ( 1.268 -2.281 -1.741) 3.138 10.109 ( 1.268 2.281 -1.741) 3.138 10.442 ( -0.507 -1.571 -7.765) 7.938 10.442 ( -0.507 1.571 -7.765) 7.938 10.631 ( -0.441 -1.540 0.934) 1.854 10.631 ( -0.441 1.540 0.934) 1.854 11.159 ( -1.107 -5.165 0.409) 5.298 11.159 ( -1.107 5.165 0.409) 5.298 11.214 ( -1.798 -1.114 -0.528) 2.180 11.214 ( -1.798 1.114 -0.528) 2.180 11.642 ( -0.722 -4.097 -3.804) 5.637 11.642 ( -0.722 4.097 -3.804) 5.637 11.688 ( 1.219 -9.434 -4.168) 10.386 11.688 ( 1.219 9.434 -4.168) 10.386 11.936 ( 3.660 -2.129 2.850) 5.104 11.936 ( 3.660 2.129 2.850) 5.104 12.240 ( -4.397 -0.625 -3.090) 5.411 12.240 ( -4.397 0.625 -3.090) 5.411 12.512 ( 3.686 -3.186 4.958) 6.951 12.512 ( 3.686 3.186 4.958) 6.951 12.943 ( 2.243 -5.895 -0.709) 6.347 12.943 ( 2.243 5.895 -0.709) 6.347 13.064 ( -10.275 -5.049 -1.115) 11.502 13.064 ( -10.275 5.049 -1.115) 11.502 13.228 ( 1.414 -1.683 -3.889) 4.468 13.228 ( 1.414 1.683 -3.889) 4.468 13.448 ( -0.908 -8.704 5.267) 10.214 13.448 ( -0.908 8.704 5.267) 10.214 13.555 ( 7.780 -4.912 2.487) 9.531 13.555 ( 7.780 4.912 2.487) 9.531 14.385 ( -2.006 -3.484 -4.249) 5.850 14.385 ( -2.006 3.484 -4.249) 5.850 14.431 ( -2.514 -5.039 -1.268) 5.773 14.431 ( -2.514 5.039 -1.268) 5.773 14.513 ( 0.579 -1.952 0.950) 2.247 14.513 ( 0.579 1.952 0.950) 2.247 14.729 ( 1.642 -5.965 3.649) 7.183 14.729 ( 1.642 5.965 3.649) 7.183 14.864 ( 5.697 -3.454 5.106) 8.394 14.864 ( 5.697 3.454 5.106) 8.394 15.433 ( 0.732 -1.076 2.760) 3.051 15.433 ( 0.732 1.076 2.760) 3.051 15.689 ( -3.209 -4.665 -1.034) 5.756 15.689 ( -3.209 4.665 -1.034) 5.756 17.070 ( -0.398 -2.308 1.036) 2.561 17.070 ( -0.398 2.308 1.036) 2.561 17.369 ( -0.202 -4.103 -1.389) 4.337 17.369 ( -0.202 4.103 -1.389) 4.337 18.438 ( -1.178 -8.539 -0.649) 8.644 18.438 ( -1.178 8.539 -0.649) 8.644 19.116 ( 1.870 -2.298 2.066) 3.612 19.116 ( 1.870 2.298 2.066) 3.612 19.645 ( 0.779 -4.674 -0.079) 4.740 19.645 ( 0.779 4.674 -0.079) 4.740 20.618 ( -3.104 -12.072 -6.855) 14.225 20.618 ( -3.104 12.072 -6.855) 14.225 21.271 ( 3.282 -2.161 5.167) 6.492 21.271 ( 3.282 2.161 5.167) 6.492 21.933 ( -2.641 -3.373 0.939) 4.385 21.933 ( -2.641 3.373 0.939) 4.385 22.073 ( 1.263 -2.931 0.664) 3.260 22.073 ( 1.263 2.931 0.664) 3.260 22.410 ( -0.344 -1.201 0.589) 1.382 22.410 ( -0.344 1.201 0.589) 1.382 22.499 ( 0.875 -3.894 0.341) 4.006 22.499 ( 0.875 3.894 0.341) 4.006 27.785 ( -1.454 -9.864 6.150) 11.714 27.785 ( -1.454 9.864 6.150) 11.714 28.167 ( -0.857 -7.169 0.353) 7.229 28.167 ( -0.857 7.169 0.353) 7.229 28.600 ( 4.185 -1.294 -7.458) 8.650 28.600 ( 4.185 1.294 -7.458) 8.650 28.800 ( 2.553 -2.381 -0.897) 3.604 28.800 ( 2.553 2.381 -0.897) 3.604 28.814 ( -1.850 -0.770 0.225) 2.017 28.814 ( -1.850 0.770 0.225) 2.017 29.077 ( -5.293 -7.770 -7.094) 11.777 29.077 ( -5.293 7.770 -7.094) 11.777 29.453 ( -1.844 -2.453 -1.520) 3.425 29.453 ( -1.844 2.453 -1.520) 3.425 29.741 ( 5.484 -3.682 4.470) 7.976 29.741 ( 5.484 3.682 4.470) 7.976 29.857 ( 2.742 -2.427 -0.679) 3.724 29.857 ( 2.742 2.427 -0.679) 3.724 29.992 ( -4.109 -0.907 2.945) 5.136 29.992 ( -4.109 0.907 2.945) 5.136 30.316 ( -0.403 -1.422 0.261) 1.501 30.316 ( -0.403 1.422 0.261) 1.501 30.816 ( -1.506 -12.344 5.012) 13.407 30.816 ( -1.506 12.344 5.012) 13.407 31.061 ( -3.945 -3.506 -1.748) 5.559 31.061 ( -3.945 3.506 -1.748) 5.559 31.334 ( 2.911 -5.115 5.391) 7.981 31.334 ( 2.911 5.115 5.391) 7.981 31.417 ( 4.067 -1.548 0.175) 4.355 31.417 ( 4.067 1.548 0.175) 4.355 31.669 ( -1.170 -2.020 -0.262) 2.349 31.669 ( -1.170 2.020 -0.262) 2.349 31.877 ( 1.437 -4.581 1.581) 5.055 31.877 ( 1.437 4.581 1.581) 5.055 32.294 ( -0.759 -1.576 -10.967) 11.106 32.294 ( -0.759 1.576 -10.967) 11.106 32.864 ( -0.726 -5.685 5.956) 8.266 32.864 ( -0.726 5.685 5.956) 8.266 33.029 ( 0.536 -10.638 -2.252) 10.887 33.029 ( 0.536 10.638 -2.252) 10.887 34.477 ( -0.723 -3.395 -3.221) 4.735 34.477 ( -0.723 3.395 -3.221) 4.735 ======================= Grid point 63 (33/63) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -6.280 -6.727 10.100) 13.664 1.214 ( -6.280 6.727 10.100) 13.664 1.401 ( -4.322 -8.980 1.250) 10.044 1.401 ( -4.322 8.980 1.250) 10.044 1.632 ( 3.984 -4.362 5.206) 7.875 1.632 ( 3.984 4.362 5.206) 7.875 1.848 ( 9.041 -5.876 -0.960) 10.826 1.848 ( 9.041 5.876 -0.960) 10.826 2.060 ( 3.609 -2.678 -3.737) 5.845 2.060 ( 3.609 2.678 -3.737) 5.845 2.183 ( -5.149 -9.026 6.723) 12.376 2.183 ( -5.149 9.026 6.723) 12.376 2.416 ( 0.036 -1.591 0.353) 1.630 2.416 ( 0.036 1.591 0.353) 1.630 2.490 ( -1.418 -4.069 1.668) 4.621 2.490 ( -1.418 4.069 1.668) 4.621 2.575 ( 1.612 -1.100 2.593) 3.245 2.575 ( 1.612 1.100 2.593) 3.245 2.690 ( 3.430 -1.915 0.166) 3.932 2.690 ( 3.430 1.915 0.166) 3.932 2.853 ( -0.722 -4.184 3.522) 5.516 2.853 ( -0.722 4.184 3.522) 5.516 2.900 ( 0.548 -7.679 1.711) 7.886 2.900 ( 0.548 7.679 1.711) 7.886 3.079 ( 3.950 -5.368 1.768) 6.895 3.079 ( 3.950 5.368 1.768) 6.895 3.165 ( 3.421 -2.710 -0.514) 4.395 3.165 ( 3.421 2.710 -0.514) 4.395 3.262 ( 0.373 -0.570 -1.523) 1.668 3.262 ( 0.373 0.570 -1.523) 1.668 3.309 ( -0.048 -12.018 2.320) 12.240 3.309 ( -0.048 12.018 2.320) 12.240 3.478 ( -1.526 -5.277 -8.010) 9.712 3.478 ( -1.526 5.277 -8.010) 9.712 3.543 ( -12.519 -1.382 -0.568) 12.608 3.543 ( -12.519 1.382 -0.568) 12.608 3.670 ( 0.650 -3.594 -3.565) 5.104 3.670 ( 0.650 3.594 -3.565) 5.104 3.874 ( -0.337 -1.228 1.666) 2.097 3.874 ( -0.337 1.228 1.666) 2.097 3.987 ( -1.084 -2.930 -1.867) 3.639 3.987 ( -1.084 2.930 -1.867) 3.639 4.084 ( -2.059 -4.524 -3.532) 6.098 4.084 ( -2.059 4.524 -3.532) 6.098 4.185 ( 7.304 -8.268 8.749) 14.080 4.185 ( 7.304 8.268 8.749) 14.080 4.354 ( 2.107 -5.791 -2.429) 6.623 4.354 ( 2.107 5.791 -2.429) 6.623 4.631 ( -4.159 -2.464 0.652) 4.878 4.631 ( -4.159 2.464 0.652) 4.878 4.778 ( 0.750 -5.487 -3.337) 6.466 4.778 ( 0.750 5.487 -3.337) 6.466 4.849 ( -8.517 -1.663 -7.277) 11.325 4.849 ( -8.517 1.663 -7.277) 11.325 5.019 ( -1.600 -6.887 0.669) 7.102 5.019 ( -1.600 6.887 0.669) 7.102 5.065 ( -6.283 -5.437 0.069) 8.308 5.065 ( -6.283 5.437 0.069) 8.308 5.319 ( 4.447 -5.098 -2.153) 7.100 5.319 ( 4.447 5.098 -2.153) 7.100 5.404 ( 1.127 -1.957 8.226) 8.530 5.404 ( 1.127 1.957 8.226) 8.530 5.739 ( 1.780 -7.578 -3.209) 8.420 5.739 ( 1.780 7.578 -3.209) 8.420 5.889 ( -4.960 -1.910 -4.719) 7.108 5.889 ( -4.960 1.910 -4.719) 7.108 5.960 ( 3.600 -5.253 0.533) 6.391 5.960 ( 3.600 5.253 0.533) 6.391 6.090 ( 3.980 -6.846 -0.975) 7.979 6.090 ( 3.980 6.846 -0.975) 7.979 6.480 ( 0.442 -2.892 -14.071) 14.372 6.480 ( 0.442 2.892 -14.071) 14.372 6.739 ( 9.398 -3.934 14.548) 17.761 6.739 ( 9.398 3.934 14.548) 17.761 7.066 ( -5.696 -4.191 -8.955) 11.411 7.066 ( -5.696 4.191 -8.955) 11.411 7.269 ( -2.507 -6.844 -0.395) 7.299 7.269 ( -2.507 6.844 -0.395) 7.299 7.539 ( 7.074 -3.250 -2.534) 8.187 7.539 ( 7.074 3.250 -2.534) 8.187 7.685 ( -9.447 -5.922 5.906) 12.617 7.685 ( -9.447 5.922 5.906) 12.617 7.955 ( 2.354 -3.770 7.022) 8.311 7.955 ( 2.354 3.770 7.022) 8.311 8.092 ( 3.384 -1.151 -2.350) 4.278 8.092 ( 3.384 1.151 -2.350) 4.278 8.425 ( -1.671 -1.513 5.129) 5.603 8.425 ( -1.671 1.513 5.129) 5.603 8.728 ( 3.632 -2.542 -0.121) 4.434 8.728 ( 3.632 2.542 -0.121) 4.434 9.091 ( 1.353 -2.984 -1.180) 3.482 9.091 ( 1.353 2.984 -1.180) 3.482 9.221 ( -0.592 -5.664 2.886) 6.384 9.221 ( -0.592 5.664 2.886) 6.384 9.447 ( -0.905 -7.246 -2.262) 7.645 9.447 ( -0.905 7.246 -2.262) 7.645 9.740 ( 0.822 -1.047 4.016) 4.231 9.740 ( 0.822 1.047 4.016) 4.231 9.920 ( 1.912 -6.821 0.017) 7.084 9.920 ( 1.912 6.821 0.017) 7.084 10.039 ( -2.778 -3.990 2.837) 5.629 10.039 ( -2.778 3.990 2.837) 5.629 10.122 ( 2.418 -4.404 -0.144) 5.026 10.122 ( 2.418 4.404 -0.144) 5.026 10.303 ( -3.820 -3.046 -8.677) 9.958 10.303 ( -3.820 3.046 -8.677) 9.958 10.562 ( -9.487 -3.302 -0.609) 10.064 10.562 ( -9.487 3.302 -0.609) 10.064 11.061 ( -4.177 -0.879 0.450) 4.292 11.061 ( -4.177 0.879 0.450) 4.292 11.343 ( 9.462 -3.206 1.868) 10.164 11.343 ( 9.462 3.206 1.868) 10.164 11.590 ( 0.496 -5.155 -2.479) 5.742 11.590 ( 0.496 5.155 -2.479) 5.742 11.652 ( 2.920 -9.655 -6.106) 11.791 11.652 ( 2.920 9.655 -6.106) 11.791 11.987 ( -4.809 -2.809 1.367) 5.735 11.987 ( -4.809 2.809 1.367) 5.735 12.164 ( 1.607 -1.007 -0.101) 1.899 12.164 ( 1.607 1.007 -0.101) 1.899 12.653 ( -3.882 -5.606 3.746) 7.780 12.653 ( -3.882 5.606 3.746) 7.780 12.806 ( -4.955 -0.705 0.501) 5.030 12.806 ( -4.955 0.705 0.501) 5.030 12.950 ( -3.187 -3.853 -2.074) 5.413 12.950 ( -3.187 3.853 -2.074) 5.413 13.264 ( 4.264 -1.688 0.789) 4.653 13.264 ( 4.264 1.688 0.789) 4.653 13.503 ( 1.737 -6.925 3.510) 7.956 13.503 ( 1.737 6.925 3.510) 7.956 13.737 ( 10.838 -8.266 -0.452) 13.638 13.737 ( 10.838 8.266 -0.452) 13.638 14.287 ( -3.465 -4.694 -4.427) 7.323 14.287 ( -3.465 4.694 -4.427) 7.323 14.375 ( -5.009 -3.389 0.715) 6.090 14.375 ( -5.009 3.389 0.715) 6.090 14.525 ( 0.268 -1.659 0.334) 1.714 14.525 ( 0.268 1.659 0.334) 1.714 14.734 ( -0.944 -4.849 1.254) 5.097 14.734 ( -0.944 4.849 1.254) 5.097 15.101 ( 14.329 -5.926 0.082) 15.506 15.101 ( 14.329 5.926 0.082) 15.506 15.510 ( 2.919 -3.151 4.920) 6.531 15.510 ( 2.919 3.151 4.920) 6.531 15.606 ( -4.072 -4.393 -0.953) 6.066 15.606 ( -4.072 4.393 -0.953) 6.066 16.993 ( -9.335 -2.925 0.980) 9.831 16.993 ( -9.335 2.925 0.980) 9.831 17.419 ( 6.928 -0.840 -0.848) 7.030 17.419 ( 6.928 0.840 -0.848) 7.030 18.411 ( -1.811 -4.834 0.514) 5.187 18.411 ( -1.811 4.834 0.514) 5.187 19.178 ( 3.679 -2.416 -0.006) 4.402 19.178 ( 3.679 2.416 -0.006) 4.402 19.693 ( 5.216 -2.678 -0.288) 5.871 19.693 ( 5.216 2.678 -0.288) 5.871 20.537 ( 1.176 -6.606 -2.893) 7.307 20.537 ( 1.176 6.606 -2.893) 7.307 21.362 ( 2.109 -2.051 1.029) 3.116 21.362 ( 2.109 2.051 1.029) 3.116 21.886 ( -3.596 -1.162 2.326) 4.438 21.886 ( -3.596 1.162 2.326) 4.438 22.077 ( -2.355 -0.784 -1.121) 2.723 22.077 ( -2.355 0.784 -1.121) 2.723 22.384 ( -3.901 -2.944 1.123) 5.015 22.384 ( -3.901 2.944 1.123) 5.015 22.494 ( -2.089 -3.561 0.322) 4.141 22.494 ( -2.089 3.561 0.322) 4.141 27.849 ( -1.085 -5.464 7.069) 9.000 27.849 ( -1.085 5.464 7.069) 9.000 28.142 ( -2.010 -3.705 -0.065) 4.215 28.142 ( -2.010 3.705 -0.065) 4.215 28.555 ( 1.808 -2.709 -7.621) 8.287 28.555 ( 1.808 2.709 -7.621) 8.287 28.742 ( -4.711 -1.636 -1.092) 5.105 28.742 ( -4.711 1.636 -1.092) 5.105 28.836 ( 1.265 -1.081 -3.718) 4.073 28.836 ( 1.265 1.081 -3.718) 4.073 28.996 ( 3.581 -1.001 -0.022) 3.718 28.996 ( 3.581 1.001 -0.022) 3.718 29.436 ( -1.201 -0.729 1.558) 2.098 29.436 ( -1.201 0.729 1.558) 2.098 29.779 ( -2.222 -1.352 -5.298) 5.902 29.779 ( -2.222 1.352 -5.298) 5.902 29.864 ( 0.437 -1.651 3.246) 3.668 29.864 ( 0.437 1.651 3.246) 3.668 30.080 ( 8.311 -1.200 2.321) 8.712 30.080 ( 8.311 1.200 2.321) 8.712 30.295 ( -2.302 -0.479 0.404) 2.386 30.295 ( -2.302 0.479 0.404) 2.386 30.812 ( -6.357 -12.196 5.578) 14.842 30.812 ( -6.357 12.196 5.578) 14.842 31.024 ( 0.233 -8.852 1.202) 8.936 31.024 ( 0.233 8.852 1.202) 8.936 31.333 ( -3.079 -2.672 -0.565) 4.116 31.333 ( -3.079 2.672 -0.565) 4.116 31.544 ( 5.633 -0.770 0.619) 5.719 31.544 ( 5.633 0.770 0.619) 5.719 31.677 ( 2.328 -1.605 2.806) 3.984 31.677 ( 2.328 1.605 2.806) 3.984 31.909 ( -1.703 -6.577 2.871) 7.375 31.909 ( -1.703 6.577 2.871) 7.375 32.148 ( -0.474 -1.030 -11.832) 11.886 32.148 ( -0.474 1.030 -11.832) 11.886 32.837 ( -6.803 -7.546 2.312) 10.419 32.837 ( -6.803 7.546 2.312) 10.419 33.101 ( 8.195 -10.429 -0.119) 13.265 33.101 ( 8.195 10.429 -0.119) 13.265 34.439 ( 0.388 -3.979 -1.804) 4.386 34.439 ( 0.388 3.979 -1.804) 4.386 ======================= Grid point 65 (34/63) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -3.448 -9.933 6.625) 12.427 1.230 ( -3.448 9.933 6.625) 12.427 1.353 ( 0.134 -3.004 -2.286) 3.777 1.353 ( 0.134 3.004 -2.286) 3.777 1.731 ( 0.592 -11.830 0.460) 11.854 1.731 ( 0.592 11.830 0.460) 11.854 1.855 ( -1.545 -7.164 -3.987) 8.343 1.855 ( -1.545 7.164 -3.987) 8.343 2.113 ( 4.179 -7.496 8.783) 12.280 2.113 ( 4.179 7.496 8.783) 12.280 2.289 ( 5.652 -9.761 2.034) 11.461 2.289 ( 5.652 9.761 2.034) 11.461 2.380 ( -3.370 -8.128 -2.790) 9.231 2.380 ( -3.370 8.128 -2.790) 9.231 2.473 ( 0.563 -1.995 -0.200) 2.083 2.473 ( 0.563 1.995 -0.200) 2.083 2.660 ( 0.013 -2.007 3.932) 4.414 2.660 ( 0.013 2.007 3.932) 4.414 2.708 ( -1.158 -5.424 -4.550) 7.174 2.708 ( -1.158 5.424 -4.550) 7.174 2.830 ( 0.199 -5.091 0.578) 5.127 2.830 ( 0.199 5.091 0.578) 5.127 2.910 ( -0.934 -1.550 0.015) 1.810 2.910 ( -0.934 1.550 0.015) 1.810 3.107 ( -0.895 -6.549 0.947) 6.677 3.107 ( -0.895 6.549 0.947) 6.677 3.190 ( -3.556 -5.033 0.301) 6.170 3.190 ( -3.556 5.033 0.301) 6.170 3.283 ( 0.525 -9.068 -4.411) 10.097 3.283 ( 0.525 9.068 -4.411) 10.097 3.317 ( -2.318 -6.875 -0.903) 7.312 3.317 ( -2.318 6.875 -0.903) 7.312 3.344 ( 5.595 -5.633 0.016) 7.940 3.344 ( 5.595 5.633 0.016) 7.940 3.478 ( -0.714 -3.462 0.060) 3.535 3.478 ( -0.714 3.462 0.060) 3.535 3.665 ( 3.554 -3.047 -0.938) 4.774 3.665 ( 3.554 3.047 -0.938) 4.774 3.788 ( -6.748 -3.700 -2.724) 8.164 3.788 ( -6.748 3.700 -2.724) 8.164 3.979 ( 1.989 -4.618 3.709) 6.248 3.979 ( 1.989 4.618 3.709) 6.248 4.100 ( 5.105 -7.356 -0.896) 8.998 4.100 ( 5.105 7.356 -0.896) 8.998 4.296 ( 2.024 -9.021 1.038) 9.303 4.296 ( 2.024 9.021 1.038) 9.303 4.436 ( -4.837 -7.705 3.118) 9.617 4.436 ( -4.837 7.705 3.118) 9.617 4.524 ( -5.424 -9.222 -2.757) 11.049 4.524 ( -5.424 9.222 -2.757) 11.049 4.692 ( -0.574 -1.374 -0.766) 1.675 4.692 ( -0.574 1.374 -0.766) 1.675 4.757 ( -0.523 -5.277 -0.818) 5.365 4.757 ( -0.523 5.277 -0.818) 5.365 4.955 ( -4.492 -3.141 -1.028) 5.576 4.955 ( -4.492 3.141 -1.028) 5.576 5.063 ( -0.452 -2.546 4.552) 5.235 5.063 ( -0.452 2.546 4.552) 5.235 5.317 ( -0.158 -3.618 -1.748) 4.021 5.317 ( -0.158 3.618 -1.748) 4.021 5.549 ( 0.659 -3.682 8.511) 9.296 5.549 ( 0.659 3.682 8.511) 9.296 5.691 ( 1.473 -4.746 -6.970) 8.560 5.691 ( 1.473 4.746 -6.970) 8.560 5.773 ( -0.443 -2.745 -6.216) 6.809 5.773 ( -0.443 2.745 -6.216) 6.809 5.975 ( 0.216 -4.195 1.903) 4.611 5.975 ( 0.216 4.195 1.903) 4.611 6.221 ( 2.659 -2.017 5.590) 6.510 6.221 ( 2.659 2.017 5.590) 6.510 6.385 ( 4.490 -2.603 -3.428) 6.220 6.385 ( 4.490 2.603 -3.428) 6.220 6.768 ( -5.754 -4.046 -13.483) 15.208 6.768 ( -5.754 4.046 -13.483) 15.208 7.072 ( 0.599 -4.177 4.747) 6.351 7.072 ( 0.599 4.177 4.747) 6.351 7.210 ( -1.351 -2.148 2.708) 3.711 7.210 ( -1.351 2.148 2.708) 3.711 7.595 ( 9.489 -2.635 3.204) 10.356 7.595 ( 9.489 2.635 3.204) 10.356 7.693 ( -3.033 -2.471 2.508) 4.647 7.693 ( -3.033 2.471 2.508) 4.647 7.945 ( -0.229 -7.513 -1.597) 7.685 7.945 ( -0.229 7.513 -1.597) 7.685 8.313 ( 10.239 -4.807 4.733) 12.262 8.313 ( 10.239 4.807 4.733) 12.262 8.414 ( -1.373 -1.897 4.248) 4.850 8.414 ( -1.373 1.897 4.248) 4.850 8.702 ( -2.162 -3.090 -5.794) 6.913 8.702 ( -2.162 3.090 -5.794) 6.913 9.056 ( -7.409 -5.256 -1.806) 9.261 9.056 ( -7.409 5.256 -1.806) 9.261 9.228 ( 3.417 -6.313 -3.231) 7.871 9.228 ( 3.417 6.313 -3.231) 7.871 9.479 ( 4.985 -6.109 4.830) 9.247 9.479 ( 4.985 6.109 4.830) 9.247 9.830 ( 2.316 -3.284 2.725) 4.855 9.830 ( 2.316 3.284 2.725) 4.855 9.906 ( -1.202 -4.247 0.121) 4.415 9.906 ( -1.202 4.247 0.121) 4.415 9.997 ( -3.670 -0.279 -1.946) 4.163 9.997 ( -3.670 0.279 -1.946) 4.163 10.110 ( -2.919 -1.203 -4.843) 5.781 10.110 ( -2.919 1.203 -4.843) 5.781 10.233 ( 2.029 -3.478 2.431) 4.703 10.233 ( 2.029 3.478 2.431) 4.703 10.390 ( -11.343 -5.999 0.553) 12.843 10.390 ( -11.343 5.999 0.553) 12.843 11.048 ( -0.087 -2.660 1.080) 2.872 11.048 ( -0.087 2.660 1.080) 2.872 11.431 ( 0.619 -2.757 0.501) 2.870 11.431 ( 0.619 2.757 0.501) 2.870 11.623 ( 1.860 -6.938 -1.293) 7.299 11.623 ( 1.860 6.938 -1.293) 7.299 11.681 ( 8.634 -6.487 0.126) 10.801 11.681 ( 8.634 6.487 0.126) 10.801 11.903 ( -3.246 -2.346 -1.725) 4.361 11.903 ( -3.246 2.346 -1.725) 4.361 12.144 ( -5.311 -1.485 -2.458) 6.038 12.144 ( -5.311 1.485 -2.458) 6.038 12.524 ( -4.073 -5.059 0.750) 6.538 12.524 ( -4.073 5.059 0.750) 6.538 12.840 ( -3.220 -9.946 -2.380) 10.721 12.840 ( -3.220 9.946 -2.380) 10.721 12.973 ( 3.266 -2.970 9.530) 10.503 12.973 ( 3.266 2.970 9.530) 10.503 13.316 ( 1.140 -2.502 -0.385) 2.777 13.316 ( 1.140 2.502 -0.385) 2.777 13.574 ( 4.022 -3.246 0.632) 5.207 13.574 ( 4.022 3.246 0.632) 5.207 13.837 ( 7.877 -5.618 -5.023) 10.902 13.837 ( 7.877 5.618 -5.023) 10.902 14.200 ( -4.439 -4.398 0.419) 6.263 14.200 ( -4.439 4.398 0.419) 6.263 14.311 ( -3.995 -1.149 0.294) 4.167 14.311 ( -3.995 1.149 0.294) 4.167 14.509 ( -1.307 -3.142 -1.791) 3.845 14.509 ( -1.307 3.142 -1.791) 3.845 14.766 ( 2.338 -0.551 2.236) 3.282 14.766 ( 2.338 0.551 2.236) 3.282 15.192 ( 3.790 -3.433 -6.228) 8.058 15.192 ( 3.790 3.433 -6.228) 8.058 15.548 ( 3.051 -1.908 -2.046) 4.140 15.548 ( 3.051 1.908 -2.046) 4.140 15.674 ( 4.601 -5.582 6.437) 9.683 15.674 ( 4.601 5.582 6.437) 9.683 16.866 ( -8.912 -2.801 1.036) 9.399 16.866 ( -8.912 2.801 1.036) 9.399 17.515 ( 6.281 -5.552 -0.153) 8.384 17.515 ( 6.281 5.552 -0.153) 8.384 18.396 ( -2.731 -3.751 2.179) 5.125 18.396 ( -2.731 3.751 2.179) 5.125 19.208 ( 3.334 -1.980 -3.505) 5.227 19.208 ( 3.334 1.980 -3.505) 5.227 19.783 ( 7.337 -7.344 -0.059) 10.381 19.783 ( 7.337 7.344 -0.059) 10.381 20.591 ( 5.621 -3.332 2.405) 6.963 20.591 ( 5.621 3.332 2.405) 6.963 21.329 ( -2.717 -3.865 -4.069) 6.236 21.329 ( -2.717 3.865 -4.069) 6.236 21.893 ( -5.565 -5.682 2.176) 8.246 21.893 ( -5.565 5.682 2.176) 8.246 21.994 ( -1.778 -1.962 0.384) 2.675 21.994 ( -1.778 1.962 0.384) 2.675 22.335 ( -3.925 -3.466 0.240) 5.242 22.335 ( -3.925 3.466 0.240) 5.242 22.453 ( -2.956 -2.679 -0.401) 4.010 22.453 ( -2.956 2.679 -0.401) 4.010 27.895 ( -1.827 -3.025 3.512) 4.982 27.895 ( -1.827 3.025 3.512) 4.982 28.133 ( -0.520 -3.428 2.149) 4.079 28.133 ( -0.520 3.428 2.149) 4.079 28.482 ( 0.868 -3.897 -7.460) 8.461 28.482 ( 0.868 3.897 -7.460) 8.461 28.649 ( -4.873 -1.774 -0.800) 5.247 28.649 ( -4.873 1.774 -0.800) 5.247 28.826 ( 1.044 -1.222 -0.188) 1.618 28.826 ( 1.044 1.222 -0.188) 1.618 29.114 ( 6.635 -5.675 4.170) 9.676 29.114 ( 6.635 5.675 4.170) 9.676 29.442 ( -0.811 -3.598 1.573) 4.010 29.442 ( -0.811 3.598 1.573) 4.010 29.651 ( -4.592 -0.532 -5.716) 7.351 29.651 ( -4.592 0.532 -5.716) 7.351 29.911 ( 2.005 -6.369 0.991) 6.750 29.911 ( 2.005 6.369 0.991) 6.750 30.187 ( 2.847 -0.262 0.157) 2.863 30.187 ( 2.847 0.262 0.157) 2.863 30.272 ( -1.243 -1.518 -0.145) 1.967 30.272 ( -1.243 1.518 -0.145) 1.967 30.792 ( -3.461 -11.597 3.895) 12.714 30.792 ( -3.461 11.597 3.895) 12.714 31.075 ( 1.078 -5.817 4.371) 7.355 31.075 ( 1.078 5.817 4.371) 7.355 31.282 ( 0.714 -3.593 -3.509) 5.073 31.282 ( 0.714 3.593 -3.509) 5.073 31.580 ( 3.846 -3.254 -4.140) 6.521 31.580 ( 3.846 3.254 -4.140) 6.521 31.776 ( 1.792 -3.983 3.154) 5.388 31.776 ( 1.792 3.983 3.154) 5.388 31.883 ( -6.295 -4.600 4.698) 9.102 31.883 ( -6.295 4.600 4.698) 9.102 32.025 ( 1.096 -3.244 -7.726) 8.451 32.025 ( 1.096 3.244 -7.726) 8.451 32.767 ( -4.737 -7.745 0.764) 9.111 32.767 ( -4.737 7.745 0.764) 9.111 33.208 ( 5.589 -8.417 -0.085) 10.104 33.208 ( 5.589 8.417 -0.085) 10.104 34.453 ( 2.173 -5.155 0.436) 5.612 34.453 ( 2.173 5.155 0.436) 5.612 ======================= Grid point 67 (35/63) ======================= q-point: ( 0.38 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -7.781 -6.258 0.710) 10.011 1.197 ( -7.781 6.258 0.710) 10.011 1.413 ( 5.346 -6.242 3.400) 8.894 1.413 ( 5.346 6.242 3.400) 8.894 1.686 ( -2.524 -11.079 1.528) 11.465 1.686 ( -2.524 11.079 1.528) 11.465 1.869 ( 4.892 -7.618 -1.564) 9.188 1.869 ( 4.892 7.618 -1.564) 9.188 2.150 ( -6.484 -14.998 -6.574) 17.612 2.150 ( -6.484 14.998 -6.574) 17.612 2.268 ( 3.867 -7.854 -0.692) 8.781 2.268 ( 3.867 7.854 -0.692) 8.781 2.373 ( 0.432 -0.857 -1.740) 1.987 2.373 ( 0.432 0.857 -1.740) 1.987 2.477 ( -0.683 -3.416 -4.160) 5.426 2.477 ( -0.683 3.416 -4.160) 5.426 2.608 ( 2.307 -1.306 -5.602) 6.197 2.608 ( 2.307 1.306 -5.602) 6.197 2.730 ( 3.373 -2.365 3.051) 5.126 2.730 ( 3.373 2.365 3.051) 5.126 2.890 ( 1.059 -1.541 -0.473) 1.928 2.890 ( 1.059 1.541 -0.473) 1.928 2.937 ( 0.608 -2.633 5.637) 6.251 2.937 ( 0.608 2.633 5.637) 6.251 3.020 ( -6.593 -3.319 -3.576) 8.202 3.020 ( -6.593 3.319 -3.576) 8.202 3.121 ( -2.684 -8.132 0.417) 8.574 3.121 ( -2.684 8.132 0.417) 8.574 3.226 ( 3.186 -1.730 1.600) 3.963 3.226 ( 3.186 1.730 1.600) 3.963 3.301 ( -1.163 -8.531 -0.696) 8.638 3.301 ( -1.163 8.531 -0.696) 8.638 3.434 ( -1.015 -8.007 4.936) 9.461 3.434 ( -1.015 8.007 4.936) 9.461 3.484 ( 0.612 -7.424 0.166) 7.451 3.484 ( 0.612 7.424 0.166) 7.451 3.707 ( -3.216 -9.932 1.221) 10.511 3.707 ( -3.216 9.932 1.221) 10.511 3.814 ( 6.884 -7.564 4.249) 11.075 3.814 ( 6.884 7.564 4.249) 11.075 4.032 ( 0.079 -4.244 1.198) 4.410 4.032 ( 0.079 4.244 1.198) 4.410 4.173 ( 2.807 -6.260 3.054) 7.510 4.173 ( 2.807 6.260 3.054) 7.510 4.286 ( -0.463 -7.288 -6.144) 9.544 4.286 ( -0.463 7.288 -6.144) 9.544 4.348 ( -4.303 -3.004 1.433) 5.440 4.348 ( -4.303 3.004 1.433) 5.440 4.478 ( 2.213 -3.180 0.196) 3.879 4.478 ( 2.213 3.180 0.196) 3.879 4.612 ( -3.752 -2.641 -2.516) 5.233 4.612 ( -3.752 2.641 -2.516) 5.233 4.813 ( -1.127 -9.958 2.690) 10.376 4.813 ( -1.127 9.958 2.690) 10.376 4.875 ( -2.084 -2.549 -4.221) 5.353 4.875 ( -2.084 2.549 -4.221) 5.353 5.120 ( -2.057 -3.443 7.077) 8.134 5.120 ( -2.057 3.443 7.077) 8.134 5.289 ( 0.247 -2.093 -1.418) 2.540 5.289 ( 0.247 2.093 -1.418) 2.540 5.514 ( -0.168 -0.542 -7.270) 7.292 5.514 ( -0.168 0.542 -7.270) 7.292 5.677 ( 1.192 -1.406 -2.108) 2.800 5.677 ( 1.192 1.406 -2.108) 2.800 5.810 ( 5.446 -4.138 1.764) 7.064 5.810 ( 5.446 4.138 1.764) 7.064 6.009 ( 0.268 -2.192 1.910) 2.920 6.009 ( 0.268 2.192 1.910) 2.920 6.206 ( -5.587 -6.795 0.518) 8.812 6.206 ( -5.587 6.795 0.518) 8.812 6.549 ( 0.935 -6.804 9.733) 11.913 6.549 ( 0.935 6.804 9.733) 11.913 6.573 ( 1.397 -6.055 -2.152) 6.576 6.573 ( 1.397 6.055 -2.152) 6.576 7.017 ( -2.692 -4.701 -4.103) 6.796 7.017 ( -2.692 4.701 -4.103) 6.796 7.254 ( 1.551 -2.779 0.561) 3.232 7.254 ( 1.551 2.779 0.561) 3.232 7.566 ( -6.546 -3.813 -2.949) 8.129 7.566 ( -6.546 3.813 -2.949) 8.129 7.888 ( 11.437 -1.554 3.685) 12.116 7.888 ( 11.437 1.554 3.685) 12.116 7.987 ( 3.034 -14.994 0.676) 15.313 7.987 ( 3.034 14.994 0.676) 15.313 8.293 ( -2.277 -5.590 -3.410) 6.933 8.293 ( -2.277 5.590 -3.410) 6.933 8.494 ( 4.667 -0.652 -6.548) 8.067 8.494 ( 4.667 0.652 -6.548) 8.067 8.690 ( 1.327 -5.165 7.227) 8.981 8.690 ( 1.327 5.165 7.227) 8.981 8.876 ( -9.775 -5.726 -1.539) 11.433 8.876 ( -9.775 5.726 -1.539) 11.433 9.278 ( 5.832 -3.467 -1.193) 6.889 9.278 ( 5.832 3.467 -1.193) 6.889 9.594 ( 2.625 -3.219 -0.263) 4.162 9.594 ( 2.625 3.219 -0.263) 4.162 9.804 ( -1.654 -4.141 -6.147) 7.594 9.804 ( -1.654 4.141 -6.147) 7.594 9.878 ( -0.203 -2.653 0.656) 2.741 9.878 ( -0.203 2.653 0.656) 2.741 9.986 ( -0.597 -3.520 1.519) 3.880 9.986 ( -0.597 3.520 1.519) 3.880 10.025 ( -3.111 -5.912 1.504) 6.848 10.025 ( -3.111 5.912 1.504) 6.848 10.265 ( -5.346 -2.621 1.797) 6.219 10.265 ( -5.346 2.621 1.797) 6.219 10.314 ( -0.508 -3.121 4.564) 5.552 10.314 ( -0.508 3.121 4.564) 5.552 11.064 ( 1.494 -3.940 -0.236) 4.221 11.064 ( 1.494 3.940 -0.236) 4.221 11.424 ( -2.233 -3.759 0.066) 4.373 11.424 ( -2.233 3.759 0.066) 4.373 11.629 ( 0.745 -10.301 -0.084) 10.328 11.629 ( 0.745 10.301 -0.084) 10.328 11.745 ( -0.226 -2.453 1.532) 2.901 11.745 ( -0.226 2.453 1.532) 2.901 11.882 ( -0.463 -2.542 0.057) 2.584 11.882 ( -0.463 2.542 0.057) 2.584 12.097 ( 3.728 -2.879 0.922) 4.799 12.097 ( 3.728 2.879 0.922) 4.799 12.498 ( -2.922 -0.382 -1.357) 3.244 12.498 ( -2.922 0.382 -1.357) 3.244 12.767 ( -2.154 -8.931 -0.781) 9.220 12.767 ( -2.154 8.931 -0.781) 9.220 13.096 ( 0.780 -1.089 2.694) 3.008 13.096 ( 0.780 1.089 2.694) 3.008 13.290 ( -0.899 -1.515 -1.355) 2.222 13.290 ( -0.899 1.515 -1.355) 2.222 13.608 ( 2.482 -2.258 -4.030) 5.244 13.608 ( 2.482 2.258 -4.030) 5.243 13.887 ( 6.469 -4.459 -3.662) 8.669 13.887 ( 6.469 4.459 -3.662) 8.669 14.171 ( -3.965 -3.789 4.119) 6.858 14.171 ( -3.965 3.789 4.119) 6.858 14.278 ( -1.494 -2.787 2.023) 3.754 14.278 ( -1.494 2.787 2.023) 3.754 14.474 ( -0.536 -4.402 -0.531) 4.467 14.474 ( -0.536 4.402 -0.531) 4.467 14.822 ( 1.410 -3.984 0.778) 4.298 14.822 ( 1.410 3.984 0.778) 4.298 15.158 ( 1.771 -4.199 -3.474) 5.730 15.158 ( 1.771 4.199 -3.474) 5.730 15.579 ( 2.843 -2.330 -1.250) 3.883 15.579 ( 2.843 2.330 -1.250) 3.883 15.784 ( 3.763 -4.293 0.506) 5.731 15.784 ( 3.763 4.293 0.506) 5.731 16.760 ( -5.947 -3.212 -0.206) 6.762 16.760 ( -5.947 3.212 -0.206) 6.762 17.593 ( 3.749 -6.325 0.562) 7.374 17.593 ( 3.749 6.325 0.562) 7.374 18.363 ( -3.501 -9.435 -0.449) 10.073 18.363 ( -3.501 9.435 -0.449) 10.073 19.228 ( 3.370 -4.248 0.254) 5.429 19.228 ( 3.370 4.248 0.254) 5.429 19.889 ( 6.208 -7.550 -0.746) 9.803 19.889 ( 6.208 7.550 -0.746) 9.803 20.712 ( 3.954 -3.688 3.796) 6.606 20.712 ( 3.954 3.688 3.796) 6.606 21.255 ( -1.174 -4.148 -1.487) 4.560 21.255 ( -1.174 4.148 -1.487) 4.560 21.742 ( -7.912 -3.152 -2.017) 8.753 21.742 ( -7.912 3.152 -2.017) 8.753 22.064 ( 1.841 -0.887 3.196) 3.793 22.064 ( 1.841 0.887 3.196) 3.793 22.268 ( -3.313 -3.233 -1.787) 4.963 22.268 ( -3.313 3.233 -1.787) 4.963 22.410 ( -1.606 -1.375 -0.874) 2.287 22.410 ( -1.606 1.375 -0.874) 2.287 27.884 ( -1.481 -7.788 -0.208) 7.931 27.884 ( -1.481 7.788 -0.208) 7.931 28.142 ( -1.190 -6.962 -0.655) 7.094 28.142 ( -1.190 6.962 -0.655) 7.094 28.443 ( 2.605 -3.739 -1.518) 4.803 28.443 ( 2.605 3.739 -1.518) 4.803 28.597 ( -2.872 -1.630 1.429) 3.599 28.597 ( -2.872 1.630 1.429) 3.599 28.855 ( 0.482 -1.640 3.168) 3.600 28.855 ( 0.482 1.640 3.168) 3.600 29.238 ( 2.774 -7.483 1.687) 8.157 29.238 ( 2.774 7.483 1.687) 8.157 29.444 ( -0.874 -4.613 1.373) 4.891 29.444 ( -0.874 4.613 1.373) 4.891 29.552 ( -1.397 -1.505 -1.093) 2.326 29.552 ( -1.397 1.505 -1.093) 2.326 29.943 ( 2.198 -7.128 -1.265) 7.566 29.943 ( 2.198 7.128 -1.265) 7.566 30.196 ( -1.135 -1.102 0.619) 1.699 30.196 ( -1.135 1.102 0.619) 1.699 30.234 ( -2.311 -3.273 -1.021) 4.135 30.234 ( -2.311 3.273 -1.021) 4.135 30.799 ( 1.171 -5.031 -0.417) 5.182 30.799 ( 1.171 5.031 -0.417) 5.182 31.119 ( -0.236 -2.109 0.410) 2.161 31.119 ( -0.236 2.109 0.410) 2.161 31.284 ( 1.956 -1.390 -0.286) 2.417 31.284 ( 1.956 1.390 -0.286) 2.417 31.582 ( 4.462 -3.181 -6.406) 8.430 31.582 ( 4.462 3.181 -6.406) 8.430 31.708 ( -2.790 -3.285 -4.806) 6.456 31.708 ( -2.790 3.285 -4.806) 6.456 31.874 ( -3.052 -4.112 -0.324) 5.132 31.874 ( -3.052 4.112 -0.324) 5.132 32.063 ( 1.128 -6.912 10.906) 12.961 32.063 ( 1.128 6.912 10.906) 12.961 32.718 ( -2.639 -7.582 0.144) 8.029 32.718 ( -2.639 7.582 0.144) 8.029 33.257 ( 2.433 -3.823 -1.370) 4.734 33.257 ( 2.433 3.823 -1.370) 4.734 34.491 ( 1.447 -5.579 0.587) 5.794 34.491 ( 1.447 5.579 0.587) 5.794 ======================= Grid point 69 (36/63) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -2.754 -8.881 0.623) 9.319 1.109 ( -2.754 8.881 0.623) 9.319 1.480 ( -4.186 -5.996 2.088) 7.605 1.480 ( -4.186 5.996 2.088) 7.605 1.659 ( 0.124 -6.679 2.500) 7.133 1.659 ( 0.124 6.679 2.500) 7.133 1.908 ( 0.291 -4.891 -2.650) 5.570 1.908 ( 0.291 4.891 -2.650) 5.570 2.070 ( 2.994 -6.404 -1.087) 7.152 2.070 ( 2.994 6.404 -1.087) 7.152 2.269 ( 0.264 -3.024 -6.354) 7.042 2.269 ( 0.264 3.024 -6.354) 7.042 2.378 ( 4.124 -4.172 1.155) 5.979 2.378 ( 4.124 4.172 1.155) 5.979 2.446 ( 1.124 -3.303 -3.816) 5.171 2.446 ( 1.124 3.303 -3.816) 5.171 2.573 ( -2.123 -1.869 -2.532) 3.796 2.573 ( -2.123 1.869 -2.532) 3.796 2.754 ( 0.276 -5.070 -0.904) 5.158 2.754 ( 0.276 5.070 -0.904) 5.158 2.860 ( 0.668 -4.300 0.739) 4.414 2.860 ( 0.668 4.300 0.739) 4.414 2.923 ( -1.608 -0.922 0.845) 2.037 2.923 ( -1.608 0.922 0.845) 2.037 3.037 ( 1.465 -2.176 -0.123) 2.626 3.037 ( 1.465 2.176 -0.123) 2.626 3.119 ( -1.652 -2.431 0.708) 3.023 3.119 ( -1.652 2.431 0.708) 3.023 3.251 ( 3.653 -4.366 -1.749) 5.955 3.251 ( 3.653 4.366 -1.749) 5.955 3.376 ( 0.579 -11.015 2.316) 11.271 3.376 ( 0.579 11.015 2.316) 11.271 3.449 ( -1.067 -1.936 -3.699) 4.309 3.449 ( -1.067 1.936 -3.699) 4.309 3.492 ( -1.237 -8.296 9.937) 13.003 3.492 ( -1.237 8.296 9.937) 13.003 3.694 ( 0.702 -4.932 1.306) 5.150 3.694 ( 0.702 4.932 1.306) 5.150 3.836 ( -4.773 -8.027 -0.729) 9.368 3.836 ( -4.773 8.027 -0.729) 9.368 4.010 ( -3.664 -7.256 -0.717) 8.160 4.010 ( -3.664 7.256 -0.717) 8.160 4.226 ( 3.294 -6.686 -5.476) 9.249 4.226 ( 3.294 6.686 -5.476) 9.249 4.259 ( 0.234 -7.708 3.523) 8.479 4.259 ( 0.234 7.708 3.523) 8.479 4.319 ( 0.798 -4.952 -4.760) 6.915 4.319 ( 0.798 4.952 -4.760) 6.915 4.485 ( 0.858 -3.148 -0.593) 3.316 4.485 ( 0.858 3.148 -0.593) 3.316 4.642 ( 0.310 -7.938 9.872) 12.671 4.642 ( 0.310 7.938 9.872) 12.671 4.775 ( -0.961 -5.659 -2.599) 6.301 4.775 ( -0.961 5.659 -2.599) 6.301 4.843 ( 0.512 -7.806 2.813) 8.313 4.843 ( 0.512 7.806 2.813) 8.313 5.133 ( -4.659 -2.982 3.198) 6.389 5.133 ( -4.659 2.982 3.198) 6.389 5.318 ( 3.397 -6.522 0.629) 7.380 5.318 ( 3.397 6.522 0.629) 7.380 5.463 ( 0.966 -5.202 -2.583) 5.888 5.463 ( 0.966 5.202 -2.583) 5.888 5.686 ( 2.639 -3.415 -0.978) 4.425 5.686 ( 2.639 3.415 -0.978) 4.425 5.844 ( -1.880 -3.645 0.330) 4.115 5.844 ( -1.880 3.645 0.330) 4.115 6.024 ( 1.663 -2.774 -3.592) 4.834 6.024 ( 1.663 2.774 -3.592) 4.834 6.164 ( -1.778 -5.162 4.286) 6.941 6.164 ( -1.778 5.162 4.286) 6.941 6.513 ( -1.688 -4.145 2.635) 5.194 6.513 ( -1.688 4.145 2.635) 5.194 6.777 ( 4.516 -2.564 7.642) 9.239 6.777 ( 4.516 2.564 7.642) 9.239 6.971 ( -1.504 -9.369 -3.741) 10.200 6.971 ( -1.504 9.369 -3.741) 10.200 7.196 ( -0.837 -4.159 -1.284) 4.433 7.196 ( -0.837 4.159 -1.284) 4.433 7.544 ( 2.618 -6.848 -2.438) 7.726 7.544 ( 2.618 6.848 -2.438) 7.726 7.837 ( -6.791 -9.017 -7.471) 13.536 7.837 ( -6.791 9.017 -7.471) 13.536 8.002 ( 1.710 -4.585 -2.984) 5.731 8.002 ( 1.710 4.585 -2.984) 5.731 8.270 ( -0.285 -6.226 -0.894) 6.296 8.270 ( -0.285 6.226 -0.894) 6.296 8.521 ( -2.049 -5.224 -2.060) 5.977 8.521 ( -2.049 5.224 -2.060) 5.977 8.748 ( 1.573 -6.507 5.845) 8.887 8.748 ( 1.573 6.507 5.845) 8.887 8.829 ( 1.343 -6.535 2.467) 7.113 8.829 ( 1.343 6.535 2.467) 7.113 9.349 ( 3.354 -4.505 -1.354) 5.777 9.349 ( 3.354 4.505 -1.354) 5.777 9.541 ( -1.966 -2.893 -3.493) 4.943 9.541 ( -1.966 2.893 -3.493) 4.943 9.711 ( -0.035 -5.152 -7.314) 8.947 9.711 ( -0.035 5.152 -7.314) 8.947 9.924 ( 0.873 -6.903 0.757) 6.999 9.924 ( 0.873 6.903 0.757) 6.999 9.965 ( -0.627 -2.217 4.256) 4.839 9.965 ( -0.627 2.217 4.256) 4.839 10.082 ( 3.322 -5.987 4.140) 8.002 10.082 ( 3.322 5.987 4.140) 8.002 10.208 ( -4.199 -2.559 -0.082) 4.918 10.208 ( -4.199 2.559 -0.082) 4.918 10.351 ( -1.497 -2.212 4.281) 5.046 10.351 ( -1.497 2.212 4.281) 5.046 11.077 ( -0.182 -5.370 -0.211) 5.377 11.077 ( -0.182 5.370 -0.211) 5.377 11.386 ( -0.263 -2.192 -0.700) 2.316 11.386 ( -0.263 2.192 -0.700) 2.316 11.651 ( 0.925 -4.655 1.181) 4.891 11.651 ( 0.925 4.655 1.181) 4.891 11.766 ( -0.150 -5.043 0.258) 5.052 11.766 ( -0.150 5.043 0.258) 5.052 11.925 ( 2.654 -2.584 6.665) 7.625 11.925 ( 2.654 2.584 6.665) 7.625 12.153 ( -2.252 -5.526 1.532) 6.161 12.153 ( -2.252 5.526 1.532) 6.161 12.416 ( 0.401 -5.541 -5.020) 7.487 12.416 ( 0.401 5.541 -5.020) 7.487 12.754 ( 0.666 -7.959 -1.357) 8.101 12.754 ( 0.666 7.959 -1.357) 8.101 13.037 ( -5.330 -3.892 -2.451) 7.040 13.037 ( -5.330 3.892 -2.451) 7.040 13.311 ( 1.908 -3.462 1.183) 4.127 13.311 ( 1.908 3.462 1.183) 4.127 13.551 ( 1.074 -3.547 -9.249) 9.964 13.551 ( 1.074 3.547 -9.249) 9.964 13.943 ( 3.219 -2.581 -0.231) 4.133 13.943 ( 3.219 2.581 -0.231) 4.133 14.153 ( -2.662 -3.108 2.697) 4.901 14.153 ( -2.662 3.108 2.697) 4.901 14.323 ( 0.221 -1.112 5.387) 5.505 14.323 ( 0.221 1.112 5.387) 5.505 14.492 ( 1.190 -3.122 2.038) 3.913 14.492 ( 1.190 3.122 2.038) 3.913 14.817 ( -1.025 -5.619 -1.055) 5.808 14.817 ( -1.025 5.619 -1.055) 5.808 15.183 ( 3.825 -4.062 -0.365) 5.591 15.183 ( 3.825 4.062 -0.365) 5.591 15.591 ( 0.557 -1.350 -0.995) 1.767 15.591 ( 0.557 1.350 -0.995) 1.767 15.781 ( -2.232 -1.463 -3.354) 4.286 15.781 ( -2.232 1.463 -3.354) 4.286 16.696 ( -0.611 -2.926 -1.700) 3.439 16.696 ( -0.611 2.926 -1.700) 3.439 17.631 ( -0.095 -5.621 1.053) 5.720 17.631 ( -0.095 5.621 1.053) 5.720 18.296 ( -1.231 -8.530 -3.465) 9.289 18.296 ( -1.231 8.530 -3.465) 9.289 19.320 ( 2.753 -3.999 6.155) 7.840 19.320 ( 2.753 3.999 6.155) 7.840 19.912 ( -0.552 -5.916 -2.809) 6.572 19.912 ( -0.552 5.916 -2.809) 6.572 20.752 ( -3.413 -3.558 1.755) 5.233 20.752 ( -3.413 3.558 1.755) 5.233 21.279 ( 3.057 -3.583 3.358) 5.785 21.279 ( 3.057 3.583 3.358) 5.785 21.701 ( 3.016 -2.852 0.603) 4.195 21.701 ( 3.016 2.852 0.603) 4.195 22.034 ( -5.248 -2.840 -2.359) 6.416 22.034 ( -5.248 2.840 -2.359) 6.416 22.241 ( 1.671 -1.779 -1.467) 2.848 22.241 ( 1.671 1.779 -1.467) 2.848 22.391 ( 0.470 -0.446 -0.652) 0.920 22.391 ( 0.470 0.446 -0.652) 0.920 27.857 ( -1.050 -5.514 -1.272) 5.755 27.857 ( -1.050 5.514 -1.272) 5.755 28.086 ( -1.054 -4.847 -4.017) 6.383 28.086 ( -1.054 4.847 -4.017) 6.383 28.516 ( 4.098 -3.464 3.368) 6.335 28.516 ( 4.098 3.464 3.368) 6.335 28.591 ( -0.814 -1.871 2.025) 2.874 28.591 ( -0.814 1.871 2.025) 2.874 28.914 ( -0.191 -1.763 6.536) 6.773 28.914 ( -0.191 1.763 6.536) 6.773 29.200 ( -3.446 -4.725 -4.102) 7.144 29.200 ( -3.446 4.725 -4.102) 7.144 29.442 ( -1.696 -5.329 0.657) 5.631 29.442 ( -1.696 5.329 0.657) 5.631 29.617 ( 3.901 -2.996 6.411) 8.081 29.617 ( 3.901 2.996 6.411) 8.081 29.928 ( -0.206 -4.049 -4.014) 5.705 29.928 ( -0.206 4.049 -4.014) 5.705 30.182 ( -0.557 -1.899 0.145) 1.984 30.182 ( -0.557 1.899 0.145) 1.984 30.222 ( 1.433 -3.813 0.180) 4.078 30.222 ( 1.433 3.813 0.180) 4.078 30.801 ( -0.714 -1.369 -1.002) 1.841 30.801 ( -0.714 1.369 -1.002) 1.841 31.058 ( -3.502 -3.313 -4.987) 6.936 31.058 ( -3.502 3.313 -4.987) 6.936 31.314 ( 1.436 -1.476 0.962) 2.272 31.314 ( 1.436 1.476 0.962) 2.272 31.521 ( 3.761 -4.998 -11.654) 13.226 31.521 ( 3.761 4.998 -11.654) 13.226 31.714 ( 3.351 -2.362 2.258) 4.680 31.714 ( 3.351 2.362 2.258) 4.680 31.802 ( -4.664 -2.463 -0.710) 5.322 31.802 ( -4.664 2.463 -0.710) 5.322 32.229 ( 0.244 -4.248 13.757) 14.400 32.229 ( 0.244 4.248 13.757) 14.400 32.691 ( -0.755 -7.073 -0.708) 7.149 32.691 ( -0.755 7.073 -0.708) 7.149 33.255 ( 0.592 -2.777 -2.535) 3.806 33.255 ( 0.592 2.777 -2.535) 3.806 34.498 ( -0.601 -3.730 -0.219) 3.785 34.498 ( -0.601 3.730 -0.219) 3.785 ======================= Grid point 71 (37/63) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 2.454 -7.523 3.654) 8.716 1.144 ( 2.454 7.523 3.654) 8.716 1.430 ( -0.082 -6.246 3.958) 7.395 1.430 ( -0.082 6.246 3.958) 7.395 1.763 ( -10.528 -8.272 -4.486) 14.121 1.763 ( -10.528 8.272 -4.486) 14.121 1.843 ( 5.609 -4.147 6.388) 9.458 1.843 ( 5.609 4.147 6.388) 9.458 2.021 ( -5.244 -0.885 -0.473) 5.340 2.021 ( -5.244 0.885 -0.473) 5.340 2.203 ( 1.003 -5.502 -6.822) 8.821 2.203 ( 1.003 5.502 -6.822) 8.821 2.383 ( 1.894 -2.748 -4.602) 5.685 2.383 ( 1.894 2.748 -4.602) 5.685 2.470 ( 2.296 -7.617 1.782) 8.153 2.470 ( 2.296 7.617 1.782) 8.153 2.555 ( -1.813 -3.382 0.695) 3.899 2.555 ( -1.813 3.382 0.695) 3.900 2.729 ( 0.982 -5.017 -1.629) 5.366 2.729 ( 0.982 5.017 -1.629) 5.366 2.829 ( -7.192 -4.740 -2.334) 8.924 2.829 ( -7.192 4.740 -2.334) 8.924 2.938 ( -0.387 -1.280 0.642) 1.483 2.938 ( -0.387 1.280 0.642) 1.483 3.084 ( 4.074 -4.272 1.690) 6.140 3.084 ( 4.074 4.272 1.690) 6.140 3.141 ( 2.802 -2.161 -0.785) 3.625 3.141 ( 2.802 2.161 -0.785) 3.625 3.232 ( 0.435 -2.841 -1.961) 3.480 3.232 ( 0.435 2.841 -1.961) 3.480 3.339 ( 1.210 -8.398 -1.015) 8.545 3.339 ( 1.210 8.398 -1.015) 8.545 3.415 ( -5.147 -4.387 -4.995) 8.407 3.415 ( -5.147 4.387 -4.995) 8.407 3.557 ( -0.555 -2.373 4.241) 4.891 3.557 ( -0.555 2.373 4.241) 4.891 3.675 ( 4.012 -5.023 -5.271) 8.313 3.675 ( 4.012 5.023 -5.271) 8.313 3.850 ( 1.810 -6.032 4.158) 7.546 3.850 ( 1.809 6.032 4.158) 7.546 3.959 ( -3.009 -1.543 1.455) 3.681 3.959 ( -3.009 1.543 1.455) 3.681 4.148 ( -4.665 -1.583 -6.076) 7.822 4.148 ( -4.665 1.583 -6.076) 7.822 4.200 ( -2.047 -11.304 -3.614) 12.043 4.200 ( -2.047 11.304 -3.614) 12.043 4.329 ( 2.883 -5.694 1.328) 6.519 4.329 ( 2.883 5.694 1.328) 6.519 4.593 ( 7.717 -5.235 3.213) 9.863 4.593 ( 7.717 5.235 3.213) 9.863 4.721 ( -3.238 -1.443 0.868) 3.649 4.721 ( -3.238 1.443 0.868) 3.649 4.799 ( 2.270 -8.147 9.067) 12.399 4.799 ( 2.270 8.147 9.067) 12.399 4.949 ( 4.774 -7.595 7.416) 11.639 4.949 ( 4.774 7.595 7.416) 11.639 5.093 ( -1.929 -3.311 1.134) 3.997 5.093 ( -1.929 3.311 1.134) 3.997 5.336 ( -0.719 -4.408 -2.962) 5.359 5.336 ( -0.719 4.408 -2.962) 5.359 5.473 ( -2.365 -8.411 5.652) 10.406 5.473 ( -2.365 8.411 5.652) 10.406 5.711 ( 1.864 -4.336 -3.946) 6.152 5.711 ( 1.864 4.336 -3.946) 6.152 5.847 ( 1.012 -3.282 4.052) 5.312 5.847 ( 1.012 3.282 4.052) 5.312 5.993 ( 0.846 -2.253 -2.323) 3.345 5.993 ( 0.846 2.253 -2.323) 3.345 6.198 ( -0.034 -3.258 3.078) 4.482 6.198 ( -0.034 3.258 3.078) 4.482 6.544 ( 0.644 -1.500 -6.159) 6.371 6.544 ( 0.644 1.500 -6.159) 6.371 6.796 ( -1.125 -3.075 1.773) 3.723 6.796 ( -1.125 3.075 1.773) 3.723 6.952 ( 4.321 -3.352 -1.836) 5.768 6.952 ( 4.321 3.352 -1.836) 5.768 7.201 ( 1.493 -2.772 -3.110) 4.426 7.201 ( 1.493 2.772 -3.110) 4.426 7.540 ( 0.394 -7.585 3.591) 8.401 7.540 ( 0.394 7.585 3.591) 8.401 7.721 ( -6.443 -5.056 -2.102) 8.455 7.721 ( -6.443 5.056 -2.102) 8.455 7.953 ( 0.182 -9.427 -4.447) 10.425 7.953 ( 0.182 9.427 -4.447) 10.425 8.249 ( -1.557 -5.835 -2.685) 6.610 8.249 ( -1.557 5.835 -2.685) 6.610 8.412 ( -8.099 -7.802 3.865) 11.891 8.412 ( -8.099 7.802 3.865) 11.891 8.776 ( -1.120 -3.461 1.113) 3.805 8.776 ( -1.120 3.461 1.113) 3.805 8.958 ( 7.819 -1.147 0.980) 7.964 8.958 ( 7.819 1.147 0.980) 7.964 9.289 ( -3.785 -4.510 -6.811) 9.003 9.289 ( -3.785 4.510 -6.811) 9.003 9.524 ( -1.278 -4.275 1.603) 4.741 9.524 ( -1.278 4.275 1.603) 4.741 9.640 ( 0.551 -1.578 -3.014) 3.447 9.640 ( 0.551 1.578 -3.014) 3.447 9.954 ( 2.351 -3.232 -0.332) 4.010 9.954 ( 2.351 3.232 -0.332) 4.010 10.025 ( 0.438 -2.408 3.012) 3.881 10.025 ( 0.438 2.408 3.012) 3.881 10.130 ( -2.562 -4.074 -2.760) 5.548 10.130 ( -2.562 4.074 -2.760) 5.548 10.212 ( 6.745 -4.052 5.110) 9.382 10.212 ( 6.745 4.052 5.110) 9.382 10.402 ( 1.712 -1.256 4.878) 5.320 10.402 ( 1.712 1.256 4.878) 5.320 11.050 ( -2.499 -4.019 0.111) 4.734 11.050 ( -2.499 4.019 0.111) 4.734 11.411 ( 2.446 -1.376 -0.045) 2.807 11.411 ( 2.446 1.376 -0.045) 2.807 11.662 ( -1.626 -0.670 0.630) 1.869 11.662 ( -1.626 0.670 0.630) 1.869 11.758 ( 1.656 -1.288 -1.837) 2.789 11.758 ( 1.656 1.288 -1.837) 2.789 11.984 ( -6.381 -13.496 3.681) 15.376 11.984 ( -6.381 13.496 3.681) 15.376 12.176 ( 4.124 -3.210 4.588) 6.954 12.176 ( 4.124 3.210 4.588) 6.954 12.401 ( 3.434 -2.777 -3.238) 5.476 12.401 ( 3.434 2.777 -3.238) 5.476 12.723 ( 0.349 -2.916 -5.331) 6.086 12.723 ( 0.349 2.916 -5.331) 6.086 12.982 ( -2.657 -2.329 5.178) 6.269 12.982 ( -2.657 2.329 5.178) 6.269 13.331 ( -0.094 -2.685 -0.403) 2.717 13.331 ( -0.094 2.685 -0.403) 2.717 13.453 ( 1.767 -5.663 -9.701) 11.371 13.453 ( 1.767 5.663 -9.701) 11.371 13.922 ( -4.805 -1.408 -1.704) 5.289 13.922 ( -4.805 1.408 -1.704) 5.289 14.205 ( 4.466 -4.930 3.280) 7.417 14.205 ( 4.466 4.930 3.280) 7.417 14.388 ( 0.014 -0.300 5.426) 5.434 14.388 ( 0.014 0.300 5.426) 5.434 14.520 ( -0.509 -3.483 1.020) 3.664 14.520 ( -0.509 3.483 1.020) 3.664 14.785 ( -2.187 -5.076 -0.781) 5.582 14.785 ( -2.187 5.076 -0.781) 5.582 15.223 ( 2.944 -3.461 -3.689) 5.852 15.223 ( 2.944 3.461 -3.689) 5.852 15.572 ( -2.110 -1.818 -0.997) 2.958 15.572 ( -2.110 1.818 -0.997) 2.958 15.658 ( -7.608 -2.417 -1.770) 8.176 15.658 ( -7.608 2.417 -1.770) 8.176 16.718 ( 5.974 -2.623 -1.168) 6.628 16.718 ( 5.974 2.623 -1.168) 6.628 17.610 ( -4.102 -3.267 0.862) 5.314 17.610 ( -4.102 3.267 0.862) 5.314 18.280 ( 3.769 -1.964 -1.846) 4.634 18.280 ( 3.769 1.964 -1.846) 4.634 19.384 ( -4.536 -0.322 3.632) 5.820 19.384 ( -4.536 0.322 3.632) 5.820 19.840 ( -3.625 -4.801 -1.778) 6.273 19.840 ( -3.625 4.801 -1.778) 6.273 20.694 ( -5.692 -6.351 2.846) 8.991 20.694 ( -5.692 6.351 2.846) 8.991 21.390 ( 2.869 -3.290 3.412) 5.540 21.390 ( 2.869 3.290 3.412) 5.540 21.723 ( 1.715 -2.202 -5.691) 6.338 21.723 ( 1.715 2.202 -5.691) 6.338 22.004 ( 3.071 -0.422 4.330) 5.325 22.004 ( 3.071 0.422 4.330) 5.325 22.234 ( 1.821 -2.992 -4.057) 5.360 22.234 ( 1.821 2.992 -4.057) 5.360 22.410 ( 2.426 -1.401 -0.186) 2.808 22.410 ( 2.426 1.401 -0.186) 2.808 27.817 ( -2.269 -3.618 -1.379) 4.487 27.817 ( -2.269 3.618 -1.379) 4.487 28.055 ( 2.083 -3.641 -1.993) 4.644 28.055 ( 2.083 3.641 -1.993) 4.644 28.589 ( 1.086 -3.533 1.529) 4.000 28.589 ( 1.086 3.533 1.529) 4.000 28.631 ( 3.441 -2.513 1.325) 4.462 28.631 ( 3.441 2.513 1.325) 4.462 29.003 ( -0.485 -3.832 8.777) 9.590 29.003 ( -0.485 3.832 8.777) 9.590 29.096 ( -3.956 -3.928 -3.149) 6.402 29.096 ( -3.956 3.928 -3.149) 6.402 29.429 ( -1.154 -3.029 1.890) 3.752 29.429 ( -1.154 3.029 1.890) 3.752 29.743 ( 3.291 -2.620 4.392) 6.081 29.743 ( 3.291 2.620 4.392) 6.081 29.855 ( -1.755 -4.205 -5.434) 7.092 29.855 ( -1.755 4.205 -5.434) 7.092 30.185 ( 0.788 -1.324 0.071) 1.542 30.185 ( 0.788 1.324 0.071) 1.542 30.258 ( 2.226 -5.117 -0.786) 5.635 30.258 ( 2.226 5.117 -0.786) 5.635 30.717 ( -7.784 -5.095 -1.578) 9.436 30.717 ( -7.784 5.095 -1.578) 9.436 30.983 ( 1.252 -6.038 -2.613) 6.698 30.983 ( 1.252 6.038 -2.613) 6.698 31.338 ( -0.184 -1.627 0.397) 1.685 31.338 ( -0.184 1.627 0.397) 1.685 31.468 ( 6.442 -5.964 -9.218) 12.730 31.468 ( 6.442 5.964 -9.218) 12.730 31.703 ( -5.185 -1.676 -0.538) 5.476 31.703 ( -5.185 1.676 -0.538) 5.476 31.816 ( 3.390 -3.271 2.165) 5.185 31.816 ( 3.390 3.271 2.165) 5.185 32.375 ( -1.111 -2.302 11.642) 11.919 32.375 ( -1.111 2.302 11.642) 11.919 32.677 ( 1.030 -5.824 -1.953) 6.228 32.677 ( 1.030 5.824 -1.953) 6.228 33.221 ( -0.882 -7.030 -2.602) 7.547 33.221 ( -0.882 7.030 -2.602) 7.547 34.484 ( -0.951 -3.255 0.467) 3.423 34.484 ( -0.951 3.255 0.467) 3.423 ======================= Grid point 73 (38/63) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -13.724 -4.776 4.004) 15.073 1.189 ( -13.724 4.776 4.004) 15.073 1.404 ( -1.249 -8.069 -5.569) 9.883 1.404 ( -1.249 8.069 -5.569) 9.883 1.597 ( 0.638 -13.808 7.662) 15.804 1.597 ( 0.638 13.808 7.662) 15.804 1.898 ( -4.124 -7.660 -4.983) 10.026 1.898 ( -4.124 7.660 -4.983) 10.026 2.083 ( 0.605 -9.114 0.292) 9.139 2.083 ( 0.605 9.114 0.292) 9.139 2.165 ( 4.657 -10.077 4.268) 11.894 2.165 ( 4.657 10.077 4.268) 11.894 2.345 ( -0.912 -3.956 -5.249) 6.636 2.345 ( -0.912 3.956 -5.249) 6.636 2.467 ( -3.293 -5.542 1.796) 6.692 2.467 ( -3.293 5.542 1.796) 6.692 2.514 ( 4.069 -1.778 -3.052) 5.388 2.514 ( 4.069 1.778 -3.052) 5.388 2.709 ( -4.261 -6.206 -1.967) 7.781 2.709 ( -4.261 6.206 -1.967) 7.781 2.796 ( 3.195 -3.356 4.427) 6.409 2.796 ( 3.195 3.356 4.427) 6.409 2.902 ( -2.582 -2.236 -2.322) 4.130 2.902 ( -2.582 2.236 -2.322) 4.130 3.038 ( -3.504 -5.463 -3.216) 7.243 3.038 ( -3.504 5.463 -3.216) 7.243 3.150 ( -3.751 -6.962 -1.393) 8.030 3.150 ( -3.751 6.962 -1.393) 8.030 3.231 ( -0.515 -1.525 -0.541) 1.698 3.231 ( -0.515 1.525 -0.541) 1.698 3.304 ( -0.039 -1.526 1.993) 2.510 3.304 ( -0.039 1.526 1.993) 2.510 3.418 ( 1.649 -9.359 -2.541) 9.837 3.418 ( 1.649 9.359 -2.541) 9.837 3.565 ( 1.940 -7.428 0.276) 7.683 3.565 ( 1.940 7.428 0.276) 7.683 3.689 ( 1.211 -6.685 -1.137) 6.888 3.689 ( 1.211 6.685 -1.137) 6.888 3.821 ( -1.581 -3.529 -3.903) 5.494 3.821 ( -1.581 3.529 -3.903) 5.494 4.037 ( -1.071 -3.210 -0.158) 3.388 4.037 ( -1.071 3.210 -0.158) 3.388 4.087 ( 4.721 -2.167 6.054) 7.977 4.087 ( 4.721 2.167 6.054) 7.977 4.178 ( 1.629 -6.246 3.005) 7.120 4.178 ( 1.629 6.246 3.005) 7.120 4.382 ( 4.967 -8.382 0.461) 9.754 4.382 ( 4.967 8.382 0.461) 9.754 4.647 ( -3.715 -4.914 -0.142) 6.162 4.647 ( -3.715 4.914 -0.142) 6.162 4.730 ( 3.384 -7.307 1.957) 8.287 4.730 ( 3.384 7.307 1.957) 8.287 4.918 ( 4.660 -7.466 -0.115) 8.801 4.918 ( 4.660 7.466 -0.115) 8.801 5.078 ( 1.592 -2.463 1.536) 3.311 5.078 ( 1.592 2.463 1.536) 3.311 5.159 ( 5.794 -5.925 4.259) 9.317 5.159 ( 5.794 5.925 4.259) 9.317 5.265 ( -2.849 -1.298 -4.089) 5.150 5.265 ( -2.849 1.298 -4.089) 5.150 5.485 ( -5.289 -5.626 8.040) 11.147 5.485 ( -5.289 5.626 8.040) 11.147 5.681 ( 2.976 -6.281 -4.977) 8.549 5.681 ( 2.976 6.281 -4.977) 8.549 5.912 ( 1.953 -1.073 1.189) 2.526 5.912 ( 1.953 1.073 1.189) 2.526 5.971 ( -0.369 -4.187 -4.072) 5.852 5.971 ( -0.369 4.187 -4.072) 5.852 6.215 ( -5.475 -2.442 -3.637) 7.012 6.215 ( -5.475 2.442 -3.637) 7.012 6.431 ( 4.341 -5.463 3.035) 7.609 6.431 ( 4.341 5.463 3.035) 7.609 6.821 ( -4.333 -2.951 0.996) 5.336 6.821 ( -4.333 2.951 0.996) 5.336 7.054 ( 6.659 -1.687 2.799) 7.418 7.054 ( 6.659 1.687 2.799) 7.418 7.186 ( -0.753 -5.146 -4.810) 7.084 7.186 ( -0.753 5.146 -4.810) 7.084 7.536 ( 4.457 -3.188 -1.626) 5.716 7.536 ( 4.457 3.188 -1.626) 5.716 7.700 ( 0.305 -2.292 3.233) 3.975 7.700 ( 0.305 2.292 3.233) 3.975 7.843 ( -7.974 -8.192 -1.799) 11.572 7.843 ( -7.974 8.192 -1.799) 11.572 8.172 ( -5.265 -6.481 -1.812) 8.544 8.172 ( -5.265 6.481 -1.812) 8.544 8.420 ( -0.978 -5.866 6.429) 8.758 8.420 ( -0.978 5.866 6.429) 8.758 8.778 ( -1.582 -1.880 0.432) 2.494 8.778 ( -1.582 1.880 0.432) 2.494 9.037 ( 3.411 -0.944 -3.495) 4.974 9.037 ( 3.411 0.944 -3.495) 4.974 9.149 ( -2.490 -6.583 -2.329) 7.414 9.149 ( -2.490 6.583 -2.329) 7.414 9.509 ( -0.903 -2.540 -0.262) 2.708 9.509 ( -0.903 2.540 -0.262) 2.708 9.652 ( 0.983 -1.403 0.794) 1.888 9.652 ( 0.983 1.403 0.794) 1.888 9.940 ( -3.307 -7.382 -2.794) 8.558 9.940 ( -3.307 7.382 -2.794) 8.558 10.006 ( -1.378 -3.696 0.277) 3.954 10.006 ( -1.378 3.696 0.277) 3.954 10.128 ( 2.421 -3.554 0.029) 4.301 10.128 ( 2.421 3.554 0.029) 4.301 10.387 ( 7.838 -1.015 3.854) 8.793 10.387 ( 7.838 1.015 3.854) 8.793 10.503 ( 5.303 -2.069 2.298) 6.139 10.503 ( 5.303 2.069 2.298) 6.139 11.032 ( 0.193 -2.589 0.562) 2.656 11.032 ( 0.193 2.589 0.562) 2.656 11.404 ( -3.489 -2.180 0.166) 4.118 11.404 ( -3.489 2.180 0.166) 4.118 11.648 ( 0.335 -2.902 0.070) 2.922 11.648 ( 0.335 2.902 0.070) 2.922 11.763 ( -0.160 -2.016 -0.603) 2.111 11.763 ( -0.160 2.016 -0.603) 2.111 11.959 ( -0.276 -3.781 0.842) 3.883 11.959 ( -0.276 3.781 0.842) 3.883 12.175 ( -5.050 -3.233 -0.682) 6.035 12.175 ( -5.050 3.233 -0.682) 6.035 12.521 ( 12.329 -7.535 -0.383) 14.455 12.521 ( 12.329 7.535 -0.383) 14.455 12.679 ( -0.228 -2.319 0.433) 2.370 12.679 ( -0.228 2.319 0.433) 2.370 13.050 ( 0.924 -3.240 5.778) 6.689 13.050 ( 0.924 3.240 5.778) 6.689 13.310 ( -0.649 -2.092 -1.542) 2.678 13.310 ( -0.649 2.092 -1.542) 2.678 13.389 ( 0.700 -5.629 -3.959) 6.917 13.389 ( 0.700 5.629 -3.959) 6.917 13.783 ( -8.664 -3.131 -4.162) 10.109 13.783 ( -8.664 3.131 -4.162) 10.109 14.319 ( 5.266 -4.741 2.874) 7.646 14.319 ( 5.266 4.741 2.874) 7.646 14.447 ( 0.703 -0.910 2.492) 2.745 14.447 ( 0.703 0.910 2.492) 2.745 14.515 ( -1.384 -4.966 2.039) 5.543 14.515 ( -1.384 4.966 2.039) 5.543 14.711 ( -3.943 -3.013 -4.362) 6.607 14.711 ( -3.943 3.013 -4.362) 6.607 15.116 ( -7.417 -2.793 -8.298) 11.475 15.116 ( -7.417 2.793 -8.298) 11.475 15.485 ( -5.872 -1.854 0.144) 6.159 15.485 ( -5.872 1.854 0.144) 6.159 15.631 ( 0.725 -4.536 3.671) 5.880 15.631 ( 0.725 4.536 3.671) 5.880 16.834 ( 9.738 -3.048 0.254) 10.207 16.834 ( 9.738 3.048 0.254) 10.207 17.541 ( -6.168 -1.905 0.591) 6.482 17.541 ( -6.168 1.905 0.591) 6.482 18.351 ( 5.648 -8.238 0.748) 10.017 18.351 ( 5.648 8.238 0.748) 10.017 19.267 ( -9.738 -4.551 -2.341) 11.001 19.267 ( -9.738 4.551 -2.341) 11.001 19.770 ( -5.308 -3.152 -0.285) 6.180 19.770 ( -5.308 3.152 -0.285) 6.180 20.700 ( -1.238 -11.537 6.469) 13.285 20.700 ( -1.238 11.537 6.469) 13.285 21.326 ( -6.381 -2.427 -6.557) 9.466 21.326 ( -6.381 2.427 -6.557) 9.466 21.764 ( 7.633 -4.456 0.776) 8.873 21.764 ( 7.633 4.456 0.776) 8.873 22.101 ( -0.338 -1.812 2.521) 3.123 22.101 ( -0.338 1.812 2.521) 3.123 22.252 ( 7.599 -4.114 -1.652) 8.798 22.252 ( 7.599 4.114 -1.652) 8.798 22.445 ( 2.760 -1.809 -0.696) 3.373 22.445 ( 2.760 1.809 -0.696) 3.373 27.770 ( -2.752 -9.725 0.417) 10.115 27.770 ( -2.752 9.725 0.417) 10.115 28.092 ( 3.722 -7.554 0.258) 8.425 28.092 ( 3.722 7.554 0.258) 8.425 28.609 ( 2.442 -2.860 -2.228) 4.371 28.609 ( 2.442 2.860 -2.228) 4.371 28.689 ( 3.193 -3.053 0.218) 4.423 28.689 ( 3.193 3.053 0.218) 4.423 28.982 ( -5.374 -4.596 -1.676) 7.267 28.982 ( -5.374 4.596 -1.676) 7.267 29.124 ( 1.246 -5.319 7.028) 8.902 29.124 ( 1.246 5.319 7.028) 8.902 29.470 ( 0.580 -2.798 5.775) 6.443 29.470 ( 0.580 2.798 5.775) 6.443 29.745 ( -3.310 -3.444 -7.272) 8.700 29.745 ( -3.310 3.444 -7.272) 8.700 29.806 ( 2.299 -1.184 -0.716) 2.683 29.806 ( 2.299 1.184 -0.716) 2.683 30.187 ( -5.911 -1.130 0.720) 6.060 30.187 ( -5.911 1.130 0.720) 6.060 30.238 ( 1.481 -0.391 -0.852) 1.752 30.238 ( 1.481 0.391 -0.852) 1.752 30.645 ( 1.546 -14.425 0.102) 14.508 30.645 ( 1.546 14.425 0.102) 14.508 31.008 ( 1.683 -7.986 2.033) 8.411 31.008 ( 1.683 7.986 2.033) 8.411 31.309 ( -1.569 -2.082 -2.219) 3.423 31.309 ( -1.569 2.082 -2.219) 3.423 31.482 ( 3.455 -3.010 -3.820) 5.965 31.482 ( 3.455 3.010 -3.820) 5.965 31.633 ( -1.618 -2.116 -0.733) 2.763 31.633 ( -1.618 2.116 -0.733) 2.763 31.865 ( 0.854 -1.555 0.493) 1.841 31.865 ( 0.854 1.555 0.493) 1.841 32.454 ( -1.597 -0.596 4.099) 4.439 32.454 ( -1.597 0.596 4.099) 4.439 32.686 ( 2.641 -2.275 -0.109) 3.488 32.686 ( 2.641 2.275 -0.109) 3.488 33.169 ( -3.016 -9.820 -1.436) 10.372 33.169 ( -3.016 9.820 -1.436) 10.372 34.491 ( 0.394 -7.314 1.312) 7.441 34.491 ( 0.394 7.314 1.312) 7.441 ======================= Grid point 75 (39/63) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -1.239 -6.807 -1.504) 7.081 0.973 ( -1.239 6.807 -1.504) 7.081 1.517 ( 6.085 -8.271 4.422) 11.180 1.517 ( 6.085 8.271 4.422) 11.180 1.592 ( -12.211 -9.418 -2.120) 15.566 1.592 ( -12.211 9.418 -2.120) 15.566 1.692 ( -11.181 -3.296 3.297) 12.114 1.692 ( -11.181 3.296 3.297) 12.114 2.067 ( 1.620 -3.094 -2.918) 4.551 2.067 ( 1.620 3.094 -2.918) 4.551 2.305 ( 4.785 -6.388 2.132) 8.261 2.305 ( 4.785 6.388 2.132) 8.261 2.344 ( 5.413 -8.961 2.228) 10.703 2.344 ( 5.413 8.961 2.228) 10.703 2.435 ( -3.096 -2.919 0.775) 4.325 2.435 ( -3.096 2.919 0.775) 4.325 2.573 ( -1.040 -1.727 -2.987) 3.604 2.573 ( -1.040 1.727 -2.987) 3.604 2.681 ( 2.520 -4.161 4.018) 6.309 2.681 ( 2.520 4.161 4.018) 6.309 2.776 ( -4.815 -2.406 -5.177) 7.469 2.776 ( -4.815 2.406 -5.177) 7.469 2.893 ( -0.308 -0.943 5.142) 5.237 2.893 ( -0.308 0.943 5.142) 5.237 2.997 ( -1.541 -3.578 -0.507) 3.929 2.997 ( -1.541 3.578 -0.507) 3.929 3.062 ( -2.254 -13.057 2.680) 13.518 3.062 ( -2.254 13.057 2.680) 13.518 3.247 ( -3.183 -6.319 5.602) 9.025 3.247 ( -3.183 6.319 5.602) 9.025 3.313 ( -1.537 -2.253 -2.223) 3.519 3.313 ( -1.537 2.253 -2.223) 3.519 3.433 ( 9.555 -0.935 -1.221) 9.678 3.433 ( 9.555 0.935 -1.221) 9.678 3.615 ( -0.206 -4.956 -2.200) 5.427 3.615 ( -0.206 4.956 -2.200) 5.427 3.627 ( 1.693 -5.504 -2.891) 6.443 3.627 ( 1.693 5.504 -2.891) 6.443 3.802 ( -1.669 -8.022 3.709) 8.994 3.802 ( -1.669 8.022 3.709) 8.994 3.990 ( -4.519 -8.445 0.573) 9.595 3.990 ( -4.519 8.445 0.573) 9.595 4.134 ( -1.107 -3.472 -0.831) 3.738 4.134 ( -1.107 3.472 -0.831) 3.738 4.372 ( 7.937 -3.144 5.707) 10.269 4.372 ( 7.937 3.144 5.707) 10.269 4.549 ( 10.905 -3.942 3.383) 12.079 4.549 ( 10.905 3.942 3.383) 12.079 4.617 ( -0.303 -5.698 1.740) 5.965 4.617 ( -0.303 5.698 1.740) 5.965 4.706 ( -2.990 -4.308 -6.255) 8.162 4.706 ( -2.990 4.308 -6.255) 8.162 4.885 ( -4.273 -4.245 -5.133) 7.914 4.885 ( -4.273 4.245 -5.133) 7.914 5.084 ( -0.857 -8.148 -0.248) 8.197 5.084 ( -0.857 8.148 -0.248) 8.197 5.179 ( 1.402 -4.718 -1.888) 5.271 5.179 ( 1.402 4.718 -1.888) 5.271 5.270 ( 6.958 -6.101 -3.863) 10.028 5.270 ( 6.958 6.101 -3.863) 10.028 5.459 ( -2.616 -7.951 -7.450) 11.206 5.459 ( -2.616 7.951 -7.450) 11.206 5.678 ( 2.135 -8.143 -1.594) 8.568 5.678 ( 2.135 8.143 -1.594) 8.568 5.911 ( -0.248 -5.460 -2.911) 6.192 5.911 ( -0.248 5.460 -2.911) 6.192 5.949 ( 1.095 -4.876 5.361) 7.329 5.949 ( 1.095 4.876 5.361) 7.329 6.148 ( -2.375 -1.776 1.743) 3.440 6.148 ( -2.375 1.776 1.743) 3.440 6.580 ( 0.980 -1.412 2.857) 3.334 6.580 ( 0.980 1.412 2.857) 3.334 6.784 ( -5.934 -2.331 -3.802) 7.423 6.784 ( -5.934 2.331 -3.802) 7.423 6.894 ( -0.472 -0.388 1.473) 1.595 6.894 ( -0.472 0.388 1.473) 1.595 7.332 ( 8.196 -4.461 -3.131) 9.843 7.332 ( 8.196 4.461 -3.131) 9.843 7.585 ( -1.273 -8.708 4.114) 9.715 7.585 ( -1.273 8.708 4.114) 9.715 7.715 ( -5.704 -6.982 4.524) 10.088 7.715 ( -5.704 6.982 4.524) 10.088 7.756 ( -0.677 -2.235 -0.604) 2.412 7.756 ( -0.677 2.235 -0.604) 2.412 8.151 ( 6.525 -7.633 1.509) 10.154 8.151 ( 6.525 7.633 1.509) 10.154 8.428 ( -8.805 -2.489 2.749) 9.554 8.428 ( -8.805 2.489 2.749) 9.554 8.689 ( -1.866 -4.423 -7.883) 9.230 8.689 ( -1.866 4.423 -7.883) 9.230 9.011 ( -1.523 -8.172 3.201) 8.908 9.011 ( -1.523 8.172 3.201) 8.908 9.210 ( 5.030 -2.642 1.641) 5.914 9.210 ( 5.030 2.642 1.641) 5.914 9.497 ( -0.842 -3.115 -0.896) 3.349 9.497 ( -0.842 3.115 -0.896) 3.349 9.682 ( 0.775 -4.095 3.509) 5.448 9.682 ( 0.775 4.095 3.509) 5.448 9.837 ( -3.842 -4.558 -1.971) 6.279 9.837 ( -3.842 4.558 -1.971) 6.279 10.033 ( 2.382 -2.269 0.707) 3.365 10.033 ( 2.382 2.269 0.707) 3.365 10.133 ( -0.751 -0.922 -1.323) 1.779 10.133 ( -0.751 0.922 -1.323) 1.779 10.484 ( 3.664 -1.708 -2.758) 4.894 10.484 ( 3.664 1.708 -2.758) 4.894 10.591 ( 4.078 -1.989 0.523) 4.567 10.591 ( 4.078 1.989 0.523) 4.567 11.078 ( 4.825 -5.508 0.609) 7.348 11.078 ( 4.825 5.508 0.609) 7.348 11.337 ( -8.077 -3.848 2.202) 9.214 11.337 ( -8.077 3.848 2.202) 9.214 11.658 ( 2.125 -6.615 -1.782) 7.173 11.658 ( 2.125 6.615 -1.782) 7.173 11.729 ( -2.808 -2.288 -0.993) 3.756 11.729 ( -2.808 2.288 -0.993) 3.756 11.923 ( -0.897 -1.032 -3.580) 3.833 11.923 ( -0.897 1.032 -3.580) 3.833 12.195 ( 6.344 -2.125 2.011) 6.986 12.195 ( 6.344 2.125 2.011) 6.986 12.551 ( -6.024 -2.164 -0.223) 6.405 12.551 ( -6.024 2.164 -0.223) 6.405 12.813 ( 12.431 -8.466 1.198) 15.088 12.813 ( 12.431 8.466 1.198) 15.088 13.118 ( 0.979 -0.760 3.212) 3.442 13.118 ( 0.979 0.760 3.212) 3.442 13.259 ( -1.868 -3.636 -2.796) 4.952 13.259 ( -1.868 3.636 -2.796) 4.952 13.397 ( 0.581 -1.614 2.533) 3.059 13.397 ( 0.581 1.614 2.533) 3.059 13.597 ( -9.469 -3.122 -2.537) 10.288 13.597 ( -9.469 3.122 -2.537) 10.288 14.417 ( 2.413 -1.741 1.404) 3.290 14.417 ( 2.413 1.741 1.404) 3.290 14.454 ( 0.947 -2.669 0.037) 2.833 14.454 ( 0.947 2.669 0.037) 2.833 14.515 ( -0.430 -2.675 -4.154) 4.960 14.515 ( -0.430 2.675 -4.154) 4.960 14.627 ( -0.333 -1.341 2.130) 2.539 14.627 ( -0.333 1.341 2.130) 2.539 14.911 ( -9.908 -0.809 -1.154) 10.008 14.911 ( -9.908 0.809 -1.154) 10.008 15.427 ( -2.606 -1.827 0.734) 3.266 15.427 ( -2.606 1.827 0.734) 3.266 15.695 ( 1.181 -4.510 2.450) 5.266 15.695 ( 1.181 4.510 2.450) 5.266 16.984 ( 8.738 -3.291 0.759) 9.368 16.984 ( 8.738 3.291 0.759) 9.368 17.446 ( -6.672 -5.351 -0.377) 8.561 17.446 ( -6.672 5.351 -0.377) 8.561 18.430 ( 2.599 -10.348 1.015) 10.717 18.430 ( 2.599 10.348 1.015) 10.717 19.123 ( -4.649 -3.494 -1.342) 5.969 19.123 ( -4.649 3.494 -1.342) 5.969 19.681 ( -4.800 -5.478 -0.556) 7.304 19.681 ( -4.800 5.478 -0.556) 7.304 20.728 ( -2.671 -15.467 -0.909) 15.722 20.728 ( -2.671 15.467 -0.909) 15.722 21.205 ( -1.067 -0.537 -0.215) 1.214 21.205 ( -1.067 0.537 -0.215) 1.214 21.887 ( 5.159 -5.595 2.421) 7.986 21.887 ( 5.159 5.595 2.421) 7.986 22.081 ( -1.928 -3.543 -0.430) 4.057 22.081 ( -1.928 3.543 -0.430) 4.057 22.364 ( 5.603 -1.507 0.892) 5.870 22.364 ( 5.603 1.507 0.892) 5.870 22.474 ( 2.409 -2.571 -0.748) 3.602 22.474 ( 2.409 2.571 -0.748) 3.602 27.755 ( -2.225 -11.302 3.413) 12.013 27.755 ( -2.225 11.302 3.413) 12.013 28.149 ( 2.171 -8.326 1.015) 8.664 28.149 ( 2.171 8.326 1.015) 8.664 28.612 ( 4.519 -0.810 -5.867) 7.450 28.612 ( 4.519 0.810 -5.867) 7.450 28.741 ( 3.769 -2.976 0.046) 4.802 28.741 ( 3.769 2.976 0.046) 4.802 28.886 ( -5.032 -3.127 -1.116) 6.029 28.886 ( -5.032 3.127 -1.116) 6.029 29.182 ( -1.696 -1.455 1.043) 2.466 29.182 ( -1.696 1.455 1.043) 2.466 29.547 ( -1.620 -1.602 -2.945) 3.723 29.547 ( -1.620 1.602 -2.945) 3.723 29.610 ( 0.605 -2.262 1.168) 2.617 29.610 ( 0.605 2.262 1.168) 2.617 29.822 ( 2.340 -3.369 -1.123) 4.253 29.822 ( 2.340 3.369 -1.123) 4.253 30.070 ( -9.272 -1.768 2.503) 9.765 30.070 ( -9.272 1.768 2.503) 9.765 30.291 ( 2.923 -2.002 0.730) 3.617 30.291 ( 2.923 2.002 0.730) 3.617 30.733 ( 5.155 -16.044 3.404) 17.192 30.733 ( 5.155 16.044 3.404) 17.192 31.075 ( 2.335 -5.759 3.341) 7.055 31.075 ( 2.335 5.759 3.341) 7.055 31.259 ( -0.621 -3.942 -1.813) 4.383 31.259 ( -0.621 3.942 -1.813) 4.383 31.438 ( -2.830 -1.195 -1.829) 3.575 31.438 ( -2.830 1.195 -1.829) 3.575 31.658 ( 2.445 -1.428 0.917) 2.976 31.658 ( 2.445 1.428 0.917) 2.976 31.862 ( -0.489 -1.988 -0.267) 2.064 31.862 ( -0.489 1.988 -0.267) 2.064 32.416 ( -1.005 -1.428 -6.592) 6.819 32.416 ( -1.005 1.428 -6.592) 6.819 32.762 ( 3.577 -2.269 4.605) 6.257 32.762 ( 3.577 2.269 4.605) 6.257 33.097 ( -4.871 -10.769 -0.829) 11.848 33.097 ( -4.871 10.769 -0.829) 11.848 34.507 ( 0.487 -7.666 -0.833) 7.726 34.507 ( 0.487 7.666 -0.833) 7.726 ======================= Grid point 85 (40/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -4.764 0.000 12.820) 13.676 0.719 ( -0.587 0.000 -4.229) 4.270 1.081 ( 0.678 0.000 5.372) 5.414 1.217 ( 1.062 0.000 -9.623) 9.682 1.479 ( -2.458 0.000 13.718) 13.937 1.606 ( -0.361 0.000 -3.234) 3.254 1.624 ( -1.977 0.000 18.687) 18.791 1.833 ( 7.812 0.000 -2.876) 8.325 1.858 ( 2.710 0.000 8.641) 9.056 1.979 ( -5.137 0.000 -9.818) 11.081 2.184 ( 2.580 0.000 -2.523) 3.608 2.187 ( 3.229 0.000 5.871) 6.700 2.313 ( -10.479 0.000 0.745) 10.505 2.392 ( 1.300 0.000 -3.913) 4.124 2.450 ( 1.249 0.000 1.341) 1.833 2.476 ( 0.376 0.000 -1.085) 1.148 2.490 ( 0.370 0.000 4.701) 4.715 2.558 ( 0.524 0.000 1.763) 1.839 2.629 ( -6.448 0.000 -0.462) 6.464 2.638 ( 12.577 0.000 1.276) 12.642 2.765 ( 1.992 0.000 6.467) 6.767 2.772 ( 2.567 0.000 3.736) 4.533 2.827 ( -0.911 0.000 9.292) 9.337 2.878 ( -4.019 0.000 4.991) 6.408 2.956 ( 4.217 0.000 -1.651) 4.529 2.960 ( 4.040 0.000 -4.117) 5.768 3.086 ( 2.342 0.000 -5.901) 6.348 3.129 ( -4.582 0.000 -11.985) 12.831 3.183 ( -1.082 0.000 -2.943) 3.135 3.203 ( -3.583 0.000 -0.535) 3.623 3.230 ( 0.354 0.000 7.126) 7.135 3.364 ( 1.147 0.000 -6.176) 6.282 3.446 ( 1.945 0.000 9.729) 9.921 3.487 ( -4.347 0.000 0.077) 4.348 3.495 ( 6.685 0.000 0.317) 6.692 3.608 ( -3.956 0.000 3.129) 5.044 3.628 ( -2.064 0.000 -6.134) 6.472 3.649 ( -6.832 0.000 3.997) 7.916 3.803 ( 4.915 0.000 -4.191) 6.459 3.807 ( -0.612 0.000 2.451) 2.526 4.001 ( -5.624 0.000 -1.355) 5.785 4.020 ( 0.156 0.000 -9.251) 9.253 4.196 ( 1.607 0.000 2.406) 2.893 4.230 ( -1.870 0.000 4.785) 5.137 4.272 ( -1.258 0.000 -0.285) 1.290 4.394 ( 0.917 0.000 1.390) 1.665 4.430 ( -1.359 0.000 4.248) 4.460 4.461 ( -0.629 0.000 -7.205) 7.233 4.535 ( -1.970 0.000 -1.375) 2.402 4.561 ( -6.719 0.000 -8.204) 10.604 4.760 ( -0.473 0.000 -1.466) 1.540 4.795 ( 2.329 0.000 -2.491) 3.410 4.966 ( 4.225 0.000 1.771) 4.581 5.003 ( 0.865 0.000 -2.133) 2.302 5.062 ( 1.955 0.000 6.121) 6.425 5.121 ( 4.958 0.000 2.003) 5.347 5.277 ( 11.399 0.000 8.250) 14.071 5.313 ( -13.091 0.000 4.519) 13.849 5.363 ( -4.043 0.000 0.182) 4.047 5.414 ( 0.098 0.000 -4.298) 4.299 5.423 ( 10.997 0.000 -5.613) 12.347 5.429 ( -3.121 0.000 -5.644) 6.449 5.723 ( -1.254 0.000 -1.679) 2.096 5.724 ( 3.884 0.000 0.899) 3.987 5.852 ( -1.154 0.000 -8.696) 8.772 5.853 ( 1.866 0.000 -3.060) 3.584 5.938 ( -10.529 0.000 -1.746) 10.673 5.957 ( 2.000 0.000 -3.847) 4.336 6.295 ( 1.744 0.000 3.146) 3.597 6.460 ( 3.733 0.000 3.031) 4.809 6.579 ( 6.935 0.000 -5.082) 8.598 6.628 ( -4.853 0.000 -0.053) 4.853 6.759 ( -6.882 0.000 3.454) 7.700 6.913 ( 7.427 0.000 7.014) 10.216 6.944 ( -1.804 0.000 -8.559) 8.747 7.041 ( -7.134 0.000 -7.363) 10.252 7.345 ( 3.607 0.000 2.879) 4.616 7.362 ( -2.700 0.000 0.120) 2.702 7.465 ( -4.333 0.000 4.752) 6.430 7.469 ( 1.218 0.000 2.013) 2.353 7.664 ( 14.011 0.000 0.105) 14.011 7.698 ( -10.949 0.000 -2.524) 11.236 7.970 ( -5.514 0.000 1.984) 5.860 8.003 ( 8.040 0.000 -3.539) 8.785 8.089 ( -4.192 0.000 7.428) 8.529 8.223 ( 4.478 0.000 -2.666) 5.212 8.489 ( 9.764 0.000 7.176) 12.117 8.528 ( -8.565 0.000 2.015) 8.799 8.550 ( -2.864 0.000 0.911) 3.005 8.695 ( -1.036 0.000 -7.859) 7.927 8.990 ( 4.082 0.000 6.703) 7.848 9.065 ( -4.194 0.000 2.009) 4.651 9.097 ( 3.578 0.000 0.773) 3.660 9.133 ( -4.321 0.000 -5.334) 6.865 9.480 ( 2.881 0.000 7.830) 8.343 9.486 ( -1.230 0.000 9.394) 9.474 9.715 ( 4.965 0.000 7.292) 8.822 9.744 ( -5.833 0.000 -3.855) 6.992 9.783 ( 4.054 0.000 -1.769) 4.423 9.834 ( -6.883 0.000 -5.595) 8.870 9.909 ( -1.721 0.000 -6.075) 6.314 10.017 ( 0.649 0.000 -6.354) 6.387 10.171 ( 3.563 0.000 3.793) 5.204 10.177 ( -2.214 0.000 1.998) 2.982 10.329 ( -0.521 0.000 -4.823) 4.851 10.378 ( 0.840 0.000 -7.419) 7.467 10.509 ( 8.180 0.000 1.298) 8.282 10.533 ( -6.705 0.000 -1.237) 6.819 10.971 ( -0.369 0.000 4.937) 4.951 11.029 ( 3.424 0.000 -2.264) 4.105 11.247 ( -9.807 0.000 -3.197) 10.315 11.254 ( 8.447 0.000 -2.170) 8.722 11.320 ( 0.779 0.000 2.220) 2.352 11.445 ( -5.132 0.000 -7.912) 9.431 11.587 ( -3.038 0.000 3.975) 5.004 11.648 ( -0.955 0.000 -2.595) 2.765 11.950 ( 4.522 0.000 4.196) 6.169 12.030 ( -3.499 0.000 -4.093) 5.385 12.147 ( 2.675 0.000 5.219) 5.864 12.206 ( -1.969 0.000 -1.135) 2.272 12.468 ( 7.641 0.000 13.106) 15.171 12.720 ( -3.524 0.000 -11.578) 12.103 12.731 ( 3.825 0.000 12.630) 13.196 12.905 ( 5.085 0.000 -3.373) 6.102 12.948 ( -2.210 0.000 -3.278) 3.953 13.002 ( -13.161 0.000 -12.031) 17.831 13.388 ( -1.955 0.000 4.462) 4.872 13.412 ( -0.647 0.000 5.467) 5.505 13.474 ( 0.951 0.000 5.154) 5.241 13.479 ( 0.807 0.000 0.410) 0.905 13.844 ( 9.923 0.000 -3.258) 10.444 13.854 ( -1.818 0.000 -4.767) 5.102 14.263 ( 0.661 0.000 4.613) 4.660 14.338 ( -1.188 0.000 -4.203) 4.368 14.444 ( 1.160 0.000 3.424) 3.615 14.508 ( -6.780 0.000 -1.583) 6.962 14.613 ( 7.884 0.000 1.147) 7.967 14.630 ( -7.493 0.000 0.089) 7.494 14.749 ( 2.825 0.000 -0.348) 2.846 14.766 ( 3.180 0.000 -1.567) 3.545 15.022 ( -4.437 0.000 4.519) 6.333 15.057 ( 8.874 0.000 1.701) 9.035 15.364 ( -2.095 0.000 -1.069) 2.352 15.385 ( 0.128 0.000 -2.440) 2.444 15.741 ( 13.142 0.000 0.540) 13.153 15.752 ( -9.228 0.000 -0.373) 9.235 17.042 ( -2.477 0.000 3.483) 4.274 17.114 ( 1.484 0.000 -3.909) 4.181 17.254 ( 9.019 0.000 4.635) 10.140 17.358 ( -8.558 0.000 -6.090) 10.504 18.366 ( 0.813 0.000 9.215) 9.251 18.546 ( -0.179 0.000 -8.657) 8.659 19.123 ( -3.522 0.000 2.239) 4.173 19.177 ( 2.354 0.000 -2.809) 3.665 19.640 ( 12.358 0.000 6.680) 14.048 19.768 ( -10.488 0.000 -6.525) 12.352 20.364 ( -0.342 0.000 10.723) 10.728 20.616 ( -1.848 0.000 -15.510) 15.620 21.343 ( 4.906 0.000 4.975) 6.987 21.423 ( -3.594 0.000 -3.538) 5.043 21.880 ( 4.138 0.000 6.074) 7.350 21.964 ( -3.433 0.000 -3.043) 4.588 22.127 ( 0.683 0.000 1.577) 1.718 22.142 ( -1.082 0.000 0.359) 1.140 22.327 ( -2.557 0.000 2.289) 3.432 22.374 ( -0.787 0.000 -1.384) 1.592 22.466 ( -1.038 0.000 1.042) 1.471 22.489 ( 3.897 0.000 -2.321) 4.536 27.702 ( 1.828 0.000 12.887) 13.016 27.917 ( -4.499 0.000 -7.683) 8.904 28.226 ( 0.734 0.000 4.849) 4.905 28.339 ( -1.564 0.000 -5.894) 6.097 28.424 ( -4.380 0.000 -0.634) 4.426 28.455 ( 3.789 0.000 -2.918) 4.783 28.710 ( 1.479 0.000 0.798) 1.681 28.731 ( -1.434 0.000 -1.390) 1.997 28.791 ( -0.857 0.000 0.532) 1.009 28.801 ( 0.912 0.000 -0.828) 1.232 28.997 ( 7.076 0.000 3.811) 8.037 29.113 ( -8.918 0.000 -8.550) 12.355 29.401 ( 0.116 0.000 3.207) 3.210 29.470 ( -1.759 0.000 -4.162) 4.519 29.764 ( 2.842 0.000 1.013) 3.017 29.788 ( 0.974 0.000 -1.661) 1.926 29.950 ( 0.209 0.000 2.399) 2.408 29.984 ( -1.390 0.000 -1.181) 1.824 30.080 ( 7.596 0.000 1.207) 7.691 30.103 ( -3.800 0.000 -1.179) 3.979 30.289 ( -0.985 0.000 1.167) 1.527 30.306 ( 3.209 0.000 -0.018) 3.209 30.429 ( 5.079 0.000 11.016) 12.130 30.634 ( -18.165 0.000 -9.582) 20.537 31.070 ( 0.201 0.000 0.580) 0.613 31.103 ( 1.444 0.000 -2.889) 3.230 31.458 ( -1.656 0.000 8.479) 8.640 31.508 ( 4.967 0.000 2.844) 5.723 31.526 ( 5.773 0.000 3.782) 6.902 31.592 ( -5.230 0.000 -1.978) 5.591 31.618 ( -4.767 0.000 -1.096) 4.891 31.624 ( 1.910 0.000 -0.291) 1.932 31.878 ( 0.230 0.000 8.636) 8.639 31.917 ( 5.375 0.000 1.348) 5.542 32.059 ( 1.991 0.000 -8.736) 8.960 32.113 ( -3.887 0.000 -11.088) 11.749 32.748 ( 4.159 0.000 3.370) 5.353 32.775 ( -3.459 0.000 0.594) 3.510 33.301 ( 5.508 0.000 0.191) 5.512 33.318 ( -0.406 0.000 -1.641) 1.690 34.279 ( 3.851 0.000 2.283) 4.476 34.320 ( -6.526 0.000 -1.911) 6.800 ======================= Grid point 86 (41/63) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 18.982 0.000 -1.575) 19.047 0.827 ( 20.549 0.000 6.098) 21.435 1.145 ( -0.351 0.000 -4.512) 4.526 1.163 ( 2.100 0.000 2.690) 3.412 1.572 ( 0.192 0.000 2.141) 2.149 1.573 ( -2.067 0.000 -4.753) 5.183 1.698 ( -2.963 0.000 3.633) 4.688 1.758 ( -0.424 0.000 -9.466) 9.475 1.873 ( -0.506 0.000 -2.980) 3.023 1.943 ( 1.261 0.000 4.974) 5.131 2.091 ( -2.001 0.000 4.188) 4.641 2.123 ( -7.082 0.000 -0.807) 7.127 2.360 ( -8.930 0.000 -3.418) 9.561 2.377 ( 0.791 0.000 2.204) 2.341 2.421 ( -1.671 0.000 -5.823) 6.058 2.481 ( -0.636 0.000 -2.398) 2.481 2.481 ( 0.001 0.000 0.244) 0.244 2.611 ( 3.410 0.000 4.017) 5.270 2.618 ( -9.341 0.000 -6.570) 11.421 2.698 ( 9.565 0.000 0.359) 9.572 2.776 ( -1.342 0.000 -5.033) 5.209 2.856 ( -3.032 0.000 -12.056) 12.431 2.881 ( -1.905 0.000 1.730) 2.573 2.882 ( -1.595 0.000 0.947) 1.854 2.926 ( 11.087 0.000 0.191) 11.089 2.988 ( 6.808 0.000 -4.394) 8.103 3.010 ( -1.557 0.000 7.347) 7.511 3.125 ( 1.710 0.000 3.298) 3.715 3.164 ( 1.425 0.000 4.093) 4.334 3.236 ( -1.753 0.000 -1.879) 2.570 3.298 ( -5.694 0.000 6.489) 8.633 3.322 ( 5.194 0.000 -4.512) 6.879 3.355 ( -0.990 0.000 -2.149) 2.366 3.421 ( -5.496 0.000 -2.193) 5.917 3.477 ( -4.485 0.000 0.040) 4.485 3.549 ( -4.255 0.000 1.624) 4.555 3.648 ( 1.502 0.000 2.449) 2.873 3.714 ( -0.292 0.000 5.918) 5.925 3.801 ( 4.819 0.000 -3.932) 6.219 3.861 ( -5.118 0.000 -2.369) 5.640 3.962 ( 0.934 0.000 10.038) 10.081 4.087 ( 5.860 0.000 2.434) 6.346 4.159 ( -0.006 0.000 0.353) 0.353 4.226 ( -0.165 0.000 1.427) 1.436 4.312 ( -0.931 0.000 -5.721) 5.796 4.374 ( -0.111 0.000 10.909) 10.909 4.453 ( 2.545 0.000 -6.557) 7.033 4.469 ( 3.565 0.000 1.762) 3.977 4.528 ( -4.682 0.000 4.362) 6.400 4.546 ( 5.727 0.000 8.577) 10.313 4.718 ( -4.576 0.000 -0.605) 4.616 4.747 ( -7.338 0.000 1.477) 7.485 4.952 ( -1.248 0.000 -4.563) 4.731 4.998 ( 0.601 0.000 -1.654) 1.760 5.024 ( -10.954 0.000 0.322) 10.958 5.092 ( -2.110 0.000 -8.202) 8.469 5.098 ( -5.781 0.000 -2.998) 6.512 5.248 ( -7.742 0.000 0.115) 7.743 5.375 ( 0.451 0.000 -1.539) 1.604 5.429 ( 4.331 0.000 2.353) 4.929 5.441 ( 1.879 0.000 -0.896) 2.081 5.577 ( -0.864 0.000 -2.340) 2.495 5.707 ( -3.593 0.000 -7.146) 7.998 5.759 ( 8.948 0.000 0.313) 8.953 5.841 ( 0.708 0.000 -0.583) 0.917 5.850 ( 5.295 0.000 5.951) 7.966 5.914 ( 6.961 0.000 9.017) 11.391 6.084 ( 11.615 0.000 3.714) 12.194 6.309 ( -1.972 0.000 -7.744) 7.991 6.402 ( -13.557 0.000 -10.240) 16.990 6.483 ( 6.111 0.000 11.810) 13.298 6.628 ( -3.509 0.000 0.689) 3.576 6.803 ( -6.184 0.000 -4.874) 7.874 6.913 ( 2.029 0.000 -2.745) 3.414 6.956 ( 7.731 0.000 8.031) 11.147 7.101 ( 7.106 0.000 5.800) 9.173 7.340 ( -4.388 0.000 -6.722) 8.028 7.385 ( 0.826 0.000 1.416) 1.639 7.422 ( -11.446 0.000 -0.912) 11.483 7.522 ( 8.408 0.000 3.930) 9.281 7.604 ( 9.578 0.000 0.126) 9.579 7.724 ( -6.308 0.000 3.534) 7.231 7.866 ( -6.375 0.000 -0.964) 6.448 8.060 ( 3.121 0.000 -5.369) 6.210 8.229 ( 6.918 0.000 2.297) 7.289 8.252 ( 8.575 0.000 -4.997) 9.925 8.419 ( -2.047 0.000 -4.979) 5.383 8.559 ( -2.481 0.000 3.405) 4.213 8.610 ( 2.595 0.000 -1.261) 2.885 8.710 ( 6.311 0.000 6.100) 8.777 8.966 ( -4.321 0.000 -5.768) 7.207 9.038 ( -4.736 0.000 -0.413) 4.754 9.143 ( 1.588 0.000 1.205) 1.994 9.154 ( 6.145 0.000 4.606) 7.679 9.487 ( -3.380 0.000 -4.690) 5.781 9.541 ( 0.113 0.000 -2.917) 2.919 9.659 ( -7.035 0.000 -3.421) 7.823 9.722 ( -0.075 0.000 4.212) 4.213 9.768 ( 0.395 0.000 3.651) 3.672 9.890 ( 5.392 0.000 5.202) 7.492 9.933 ( 1.357 0.000 -3.601) 3.848 9.951 ( 0.813 0.000 5.632) 5.690 10.123 ( -5.927 0.000 0.187) 5.930 10.192 ( -2.369 0.000 -3.201) 3.982 10.299 ( -2.835 0.000 5.443) 6.137 10.305 ( -4.746 0.000 -3.568) 5.937 10.405 ( -4.521 0.000 -0.325) 4.532 10.594 ( 1.492 0.000 -0.404) 1.546 10.977 ( -2.345 0.000 -0.036) 2.345 11.022 ( -0.281 0.000 -3.903) 3.913 11.127 ( -4.715 0.000 -0.698) 4.766 11.332 ( 6.052 0.000 4.801) 7.725 11.336 ( 1.472 0.000 0.480) 1.549 11.478 ( 4.147 0.000 1.826) 4.531 11.648 ( 1.629 0.000 3.888) 4.215 11.702 ( 10.959 0.000 4.733) 11.937 11.910 ( -4.179 0.000 -3.168) 5.244 12.019 ( -1.658 0.000 0.680) 1.792 12.139 ( -2.368 0.000 -3.694) 4.388 12.173 ( -5.263 0.000 0.274) 5.270 12.476 ( -4.616 0.000 -12.195) 13.039 12.639 ( -7.849 0.000 1.119) 7.928 12.740 ( -4.313 0.000 -5.761) 7.197 12.836 ( 4.321 0.000 11.756) 12.525 12.999 ( 6.437 0.000 0.624) 6.468 13.085 ( 8.951 0.000 10.780) 14.011 13.448 ( 3.527 0.000 3.506) 4.973 13.470 ( 2.516 0.000 -6.058) 6.560 13.488 ( 2.795 0.000 2.044) 3.463 13.503 ( 0.566 0.000 -1.283) 1.402 13.739 ( -4.963 0.000 -6.945) 8.536 13.887 ( 3.073 0.000 -3.832) 4.912 14.282 ( -1.578 0.000 -4.548) 4.814 14.316 ( -0.589 0.000 4.403) 4.442 14.377 ( -6.391 0.000 -0.317) 6.399 14.496 ( -3.432 0.000 6.260) 7.139 14.540 ( -3.317 0.000 2.254) 4.010 14.760 ( 8.713 0.000 0.351) 8.720 14.766 ( 0.829 0.000 -2.298) 2.443 14.778 ( 3.900 0.000 -7.439) 8.399 14.943 ( -7.394 0.000 -1.339) 7.514 15.108 ( 2.424 0.000 -4.999) 5.555 15.389 ( 1.611 0.000 -0.708) 1.760 15.390 ( 4.046 0.000 3.564) 5.391 15.562 ( -10.918 0.000 -3.316) 11.410 15.872 ( 5.730 0.000 -0.829) 5.789 16.988 ( -9.447 0.000 3.602) 10.110 17.023 ( -5.248 0.000 -1.714) 5.521 17.284 ( 4.946 0.000 -3.660) 6.153 17.528 ( 16.772 0.000 3.742) 17.184 18.391 ( -6.128 0.000 -9.756) 11.521 18.511 ( 4.518 0.000 9.112) 10.171 19.191 ( 1.751 0.000 -2.699) 3.217 19.192 ( 8.325 0.000 3.229) 8.929 19.532 ( -8.093 0.000 -6.764) 10.547 19.882 ( 10.196 0.000 4.315) 11.072 20.468 ( 3.351 0.000 -10.470) 10.993 20.537 ( 2.294 0.000 15.278) 15.449 21.306 ( -4.928 0.000 -4.887) 6.940 21.457 ( 4.265 0.000 2.713) 5.055 21.808 ( -10.972 0.000 -6.118) 12.562 21.967 ( 0.144 0.000 2.738) 2.742 22.129 ( 0.441 0.000 -0.234) 0.499 22.140 ( -1.532 0.000 1.207) 1.950 22.292 ( -8.135 0.000 5.807) 9.995 22.340 ( -1.606 0.000 -0.958) 1.870 22.445 ( -1.236 0.000 -1.363) 1.840 22.487 ( -0.435 0.000 -2.445) 2.484 27.751 ( -2.978 0.000 -9.452) 9.910 27.888 ( 2.188 0.000 12.076) 12.273 28.230 ( -3.231 0.000 -5.554) 6.425 28.317 ( 1.415 0.000 6.258) 6.416 28.381 ( -2.835 0.000 1.691) 3.301 28.499 ( 4.561 0.000 0.278) 4.569 28.693 ( -1.156 0.000 -1.418) 1.830 28.728 ( -1.147 0.000 1.552) 1.930 28.778 ( -1.467 0.000 0.341) 1.506 28.807 ( 0.670 0.000 -0.675) 0.951 28.947 ( -3.080 0.000 -3.970) 5.025 29.194 ( 9.434 0.000 7.915) 12.314 29.415 ( -0.417 0.000 -1.782) 1.830 29.462 ( 1.544 0.000 4.510) 4.767 29.717 ( -5.094 0.000 -2.734) 5.781 29.741 ( -4.268 0.000 -1.084) 4.404 29.908 ( -9.059 0.000 -5.358) 10.525 30.007 ( -1.358 0.000 1.598) 2.098 30.056 ( 4.337 0.000 -1.082) 4.470 30.081 ( -1.903 0.000 -1.192) 2.245 30.276 ( -3.460 0.000 -0.973) 3.594 30.286 ( 1.097 0.000 0.985) 1.475 30.480 ( 3.874 0.000 -3.413) 5.163 30.805 ( 16.332 0.000 16.773) 23.411 31.100 ( 2.651 0.000 -2.524) 3.660 31.110 ( 3.190 0.000 -0.003) 3.190 31.362 ( -12.609 0.000 -1.202) 12.666 31.480 ( -3.443 0.000 -1.012) 3.589 31.512 ( -2.040 0.000 -0.935) 2.244 31.598 ( 1.284 0.000 -3.456) 3.687 31.629 ( 2.094 0.000 1.216) 2.422 31.706 ( 3.434 0.000 3.720) 5.063 31.869 ( -0.844 0.000 -3.655) 3.751 31.916 ( -5.385 0.000 -10.272) 11.598 32.028 ( 4.454 0.000 3.524) 5.680 32.116 ( 4.383 0.000 6.688) 7.996 32.703 ( -4.671 0.000 -2.349) 5.228 32.816 ( 2.110 0.000 0.304) 2.132 33.229 ( -5.542 0.000 -5.423) 7.754 33.283 ( -5.114 0.000 0.084) 5.114 34.294 ( 3.911 0.000 -2.337) 4.556 34.439 ( 10.920 0.000 5.296) 12.136 ======================= Grid point 87 (42/63) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -14.286 0.000 3.547) 14.719 1.066 ( 10.784 0.000 -3.737) 11.413 1.116 ( 17.747 0.000 -6.142) 18.780 1.204 ( 2.754 0.000 -0.878) 2.891 1.513 ( 5.887 0.000 -2.375) 6.348 1.566 ( 10.503 0.000 -5.575) 11.891 1.656 ( -6.860 0.000 -9.818) 11.977 1.768 ( 2.101 0.000 -5.375) 5.771 1.901 ( 4.173 0.000 -3.463) 5.423 1.982 ( 9.213 0.000 7.334) 11.776 1.989 ( -3.397 0.000 -4.106) 5.328 2.168 ( -3.048 0.000 1.474) 3.385 2.190 ( -9.066 0.000 -0.375) 9.073 2.350 ( -1.087 0.000 -3.140) 3.323 2.363 ( 1.408 0.000 3.647) 3.910 2.458 ( 0.594 0.000 0.214) 0.631 2.473 ( 0.005 0.000 0.292) 0.292 2.490 ( 0.454 0.000 0.465) 0.650 2.640 ( -4.927 0.000 -8.290) 9.644 2.693 ( -1.122 0.000 -3.417) 3.596 2.696 ( 0.941 0.000 0.631) 1.133 2.748 ( -0.401 0.000 0.364) 0.541 2.820 ( 0.546 0.000 -3.889) 3.927 2.884 ( 0.233 0.000 2.086) 2.099 3.005 ( -7.531 0.000 5.025) 9.054 3.067 ( -2.260 0.000 -2.943) 3.710 3.068 ( -8.383 0.000 -0.834) 8.424 3.109 ( 8.181 0.000 -1.630) 8.342 3.123 ( 7.264 0.000 -4.217) 8.399 3.290 ( 0.058 0.000 1.668) 1.669 3.298 ( 1.650 0.000 0.048) 1.650 3.352 ( -7.587 0.000 -1.576) 7.749 3.376 ( 1.509 0.000 -2.384) 2.822 3.394 ( 3.303 0.000 4.669) 5.719 3.403 ( -1.307 0.000 -5.612) 5.762 3.518 ( 0.332 0.000 4.865) 4.876 3.691 ( -0.032 0.000 1.510) 1.511 3.726 ( -5.957 0.000 6.881) 9.102 3.860 ( 4.822 0.000 -3.878) 6.188 3.876 ( 4.360 0.000 8.768) 9.792 3.931 ( -2.857 0.000 6.528) 7.126 4.154 ( 2.014 0.000 1.122) 2.305 4.213 ( -2.407 0.000 0.069) 2.408 4.288 ( -2.462 0.000 -2.083) 3.225 4.299 ( -1.211 0.000 0.348) 1.260 4.364 ( -0.915 0.000 -4.009) 4.112 4.465 ( -1.872 0.000 0.745) 2.015 4.494 ( 1.176 0.000 1.813) 2.161 4.553 ( -2.456 0.000 -3.952) 4.654 4.608 ( -0.458 0.000 0.494) 0.674 4.650 ( -5.468 0.000 7.973) 9.667 4.770 ( 7.505 0.000 5.753) 9.456 4.877 ( -7.234 0.000 -5.708) 9.215 4.902 ( -6.805 0.000 -10.025) 12.116 4.925 ( 1.971 0.000 -0.882) 2.160 4.939 ( -5.502 0.000 2.351) 5.984 5.113 ( 8.282 0.000 1.184) 8.367 5.192 ( -3.977 0.000 5.471) 6.763 5.360 ( -2.844 0.000 0.875) 2.975 5.367 ( -5.441 0.000 -0.516) 5.465 5.513 ( 1.849 0.000 -0.152) 1.855 5.582 ( 0.702 0.000 -3.625) 3.693 5.620 ( 1.876 0.000 2.582) 3.191 5.741 ( -2.498 0.000 2.390) 3.457 5.895 ( -3.161 0.000 5.747) 6.559 6.023 ( 6.620 0.000 6.787) 9.481 6.155 ( -1.208 0.000 -8.394) 8.481 6.229 ( 14.474 0.000 5.614) 15.525 6.238 ( 3.432 0.000 1.628) 3.798 6.381 ( 5.995 0.000 12.500) 13.863 6.569 ( -7.118 0.000 3.940) 8.136 6.589 ( -4.397 0.000 2.573) 5.095 6.691 ( -5.145 0.000 -8.903) 10.283 6.920 ( -4.833 0.000 7.903) 9.264 6.969 ( -0.111 0.000 -6.775) 6.776 7.165 ( 2.703 0.000 1.583) 3.132 7.230 ( 4.915 0.000 -4.156) 6.437 7.338 ( -1.903 0.000 -9.401) 9.591 7.343 ( -5.706 0.000 -4.346) 7.172 7.618 ( -6.082 0.000 2.193) 6.465 7.712 ( 7.908 0.000 -2.110) 8.185 7.840 ( 0.794 0.000 12.840) 12.864 7.878 ( 6.859 0.000 -0.667) 6.891 7.942 ( 5.116 0.000 -6.938) 8.620 8.296 ( 2.100 0.000 -8.159) 8.425 8.351 ( 8.402 0.000 -0.925) 8.453 8.383 ( 11.425 0.000 -0.855) 11.457 8.517 ( -2.902 0.000 -2.169) 3.623 8.756 ( 6.172 0.000 5.576) 8.318 8.784 ( -2.185 0.000 0.123) 2.188 8.856 ( -4.005 0.000 -4.336) 5.903 8.957 ( -4.928 0.000 0.165) 4.931 9.120 ( -3.071 0.000 -1.450) 3.396 9.238 ( 0.214 0.000 -3.025) 3.032 9.343 ( -3.092 0.000 -7.978) 8.557 9.443 ( 0.393 0.000 -6.474) 6.486 9.651 ( -0.645 0.000 2.651) 2.728 9.731 ( 6.247 0.000 0.881) 6.309 9.806 ( -3.890 0.000 5.137) 6.444 9.937 ( -6.515 0.000 0.319) 6.522 10.005 ( -1.654 0.000 0.515) 1.732 10.040 ( 3.844 0.000 6.593) 7.632 10.076 ( -1.022 0.000 -3.107) 3.271 10.151 ( 0.916 0.000 6.701) 6.763 10.178 ( -4.424 0.000 3.506) 5.645 10.319 ( -5.615 0.000 8.444) 10.140 10.402 ( -0.981 0.000 2.257) 2.461 10.544 ( -4.956 0.000 -2.946) 5.766 10.939 ( -2.451 0.000 2.325) 3.378 10.949 ( -0.491 0.000 -7.970) 7.985 11.103 ( -0.143 0.000 5.641) 5.642 11.467 ( 1.043 0.000 1.809) 2.088 11.491 ( 7.379 0.000 10.860) 13.130 11.544 ( 5.273 0.000 4.405) 6.871 11.664 ( -5.134 0.000 0.324) 5.145 11.826 ( 0.675 0.000 -1.154) 1.337 11.921 ( -1.418 0.000 -6.609) 6.759 11.993 ( 4.400 0.000 4.043) 5.975 12.035 ( -10.914 0.000 0.241) 10.917 12.056 ( 4.932 0.000 -6.658) 8.286 12.356 ( -0.338 0.000 -3.251) 3.269 12.448 ( -11.277 0.000 -0.692) 11.298 12.731 ( 4.027 0.000 0.399) 4.047 13.052 ( 2.238 0.000 7.180) 7.520 13.103 ( 6.507 0.000 0.583) 6.534 13.267 ( 2.618 0.000 4.703) 5.383 13.352 ( -0.829 0.000 -13.361) 13.387 13.417 ( -8.643 0.000 -6.545) 10.841 13.562 ( 0.670 0.000 -0.701) 0.969 13.568 ( 6.852 0.000 -3.266) 7.591 13.614 ( 7.936 0.000 -1.652) 8.106 13.874 ( -1.312 0.000 0.314) 1.349 14.204 ( -0.668 0.000 0.991) 1.195 14.327 ( -5.917 0.000 5.815) 8.296 14.351 ( -1.067 0.000 1.790) 2.084 14.506 ( -0.721 0.000 3.022) 3.107 14.605 ( 1.038 0.000 8.076) 8.143 14.640 ( -6.507 0.000 -9.629) 11.622 14.694 ( -0.821 0.000 -9.380) 9.416 14.765 ( 2.813 0.000 -7.922) 8.407 14.980 ( 4.890 0.000 6.072) 7.797 15.095 ( 4.379 0.000 -4.488) 6.270 15.347 ( -3.372 0.000 -1.594) 3.730 15.482 ( 1.942 0.000 -0.362) 1.976 15.507 ( 6.701 0.000 0.587) 6.727 15.905 ( 1.992 0.000 -3.090) 3.676 16.869 ( -10.830 0.000 2.544) 11.124 16.944 ( -4.364 0.000 -1.512) 4.619 17.394 ( 9.260 0.000 3.147) 9.781 17.752 ( 9.485 0.000 -1.055) 9.543 18.179 ( -7.627 0.000 -5.653) 9.493 18.683 ( 5.547 0.000 4.572) 7.188 19.120 ( -3.639 0.000 -3.883) 5.321 19.396 ( 13.816 0.000 1.063) 13.857 19.465 ( 1.914 0.000 3.591) 4.069 20.015 ( 5.289 0.000 -1.530) 5.506 20.479 ( 10.413 0.000 -5.113) 11.600 20.765 ( 1.007 0.000 17.669) 17.698 21.202 ( -2.394 0.000 -1.687) 2.929 21.518 ( -14.060 0.000 -8.516) 16.438 21.536 ( 3.615 0.000 0.640) 3.671 21.913 ( -7.216 0.000 -1.560) 7.382 22.111 ( -3.173 0.000 -1.832) 3.664 22.151 ( 1.857 0.000 -0.300) 1.881 22.254 ( -8.268 0.000 9.008) 12.227 22.315 ( -0.319 0.000 -0.541) 0.629 22.405 ( -0.461 0.000 -2.776) 2.814 22.424 ( -3.339 0.000 -3.039) 4.515 27.626 ( 0.349 0.000 -7.972) 7.980 27.972 ( -2.095 0.000 -2.122) 2.982 28.178 ( -1.841 0.000 6.869) 7.112 28.363 ( -3.073 0.000 2.901) 4.226 28.401 ( 1.525 0.000 3.400) 3.726 28.567 ( 0.079 0.000 2.297) 2.298 28.694 ( 3.771 0.000 0.800) 3.855 28.718 ( -3.202 0.000 2.718) 4.200 28.771 ( -1.143 0.000 2.076) 2.370 28.802 ( -0.018 0.000 -0.924) 0.925 28.921 ( 1.762 0.000 0.463) 1.821 29.389 ( 3.415 0.000 3.491) 4.884 29.444 ( 3.087 0.000 3.679) 4.803 29.538 ( 1.297 0.000 3.954) 4.161 29.621 ( -10.499 0.000 -7.096) 12.672 29.652 ( -2.414 0.000 -3.481) 4.236 29.654 ( -5.215 0.000 -0.732) 5.266 29.888 ( -6.695 0.000 -2.232) 7.057 30.137 ( 8.264 0.000 -2.242) 8.563 30.158 ( 6.017 0.000 0.831) 6.074 30.210 ( -3.621 0.000 -0.640) 3.677 30.298 ( -1.760 0.000 1.341) 2.212 30.559 ( 9.696 0.000 -2.229) 9.949 30.965 ( -8.491 0.000 -5.620) 10.182 31.116 ( 2.311 0.000 -1.271) 2.637 31.163 ( 3.520 0.000 9.313) 9.956 31.369 ( -5.946 0.000 -4.152) 7.252 31.431 ( -6.936 0.000 -1.826) 7.173 31.463 ( 10.513 0.000 11.576) 15.637 31.536 ( 5.386 0.000 -12.669) 13.766 31.655 ( -2.053 0.000 -3.496) 4.054 31.753 ( 0.323 0.000 -2.396) 2.418 31.772 ( -1.890 0.000 5.751) 6.053 31.844 ( 1.584 0.000 -2.800) 3.217 32.121 ( 2.527 0.000 4.147) 4.856 32.266 ( 2.722 0.000 8.987) 9.390 32.592 ( -3.224 0.000 -5.536) 6.406 32.816 ( 0.402 0.000 -3.230) 3.255 33.090 ( -1.246 0.000 -6.227) 6.350 33.205 ( -6.810 0.000 2.517) 7.261 34.346 ( 6.007 0.000 -1.680) 6.238 34.657 ( 6.442 0.000 6.035) 8.827 ======================= Grid point 88 (43/63) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -14.358 0.000 10.540) 17.811 1.107 ( 3.817 0.000 0.167) 3.820 1.248 ( 10.103 0.000 -3.514) 10.697 1.259 ( 6.076 0.000 -3.000) 6.776 1.441 ( 3.289 0.000 -9.007) 9.589 1.618 ( -1.259 0.000 -11.301) 11.370 1.648 ( 4.811 0.000 -14.221) 15.013 1.693 ( 5.907 0.000 -5.743) 8.239 1.816 ( 7.157 0.000 5.042) 8.755 2.000 ( -0.147 0.000 -11.395) 11.396 2.048 ( -1.657 0.000 6.066) 6.288 2.197 ( 2.254 0.000 -1.771) 2.867 2.295 ( 2.239 0.000 10.541) 10.776 2.345 ( -0.197 0.000 -1.389) 1.403 2.382 ( 7.323 0.000 6.033) 9.488 2.472 ( 0.989 0.000 -1.924) 2.163 2.510 ( -5.514 0.000 -2.550) 6.076 2.511 ( 3.549 0.000 2.549) 4.369 2.595 ( 0.780 0.000 6.070) 6.120 2.650 ( -5.643 0.000 2.241) 6.072 2.660 ( 0.454 0.000 -0.695) 0.830 2.754 ( -1.730 0.000 4.113) 4.462 2.806 ( -4.452 0.000 0.133) 4.454 2.839 ( 1.868 0.000 -0.061) 1.869 3.006 ( -1.703 0.000 1.164) 2.063 3.027 ( 1.529 0.000 -1.866) 2.413 3.046 ( -6.180 0.000 -11.722) 13.251 3.051 ( 0.796 0.000 4.716) 4.783 3.161 ( -3.743 0.000 -6.635) 7.617 3.181 ( 2.003 0.000 1.857) 2.731 3.290 ( -3.533 0.000 -0.437) 3.560 3.306 ( -3.220 0.000 -1.228) 3.447 3.333 ( 0.060 0.000 -4.301) 4.302 3.375 ( 4.886 0.000 0.329) 4.897 3.524 ( -2.642 0.000 7.124) 7.598 3.596 ( 5.464 0.000 11.538) 12.767 3.711 ( -4.482 0.000 4.791) 6.561 3.731 ( 9.587 0.000 -1.915) 9.776 3.847 ( 2.558 0.000 -5.455) 6.025 3.955 ( -1.336 0.000 2.986) 3.271 4.027 ( -14.156 0.000 -5.556) 15.208 4.089 ( -4.321 0.000 -2.887) 5.196 4.186 ( 1.669 0.000 7.987) 8.160 4.229 ( -2.294 0.000 -1.915) 2.988 4.294 ( 7.469 0.000 1.346) 7.589 4.301 ( 0.026 0.000 -6.466) 6.466 4.421 ( -2.003 0.000 -6.021) 6.345 4.475 ( 4.930 0.000 -5.872) 7.667 4.507 ( 4.015 0.000 -2.150) 4.555 4.617 ( -9.133 0.000 3.768) 9.880 4.626 ( -5.006 0.000 -0.327) 5.017 4.711 ( -8.609 0.000 0.881) 8.654 4.730 ( -5.560 0.000 2.558) 6.120 4.918 ( 7.979 0.000 1.276) 8.080 4.989 ( 6.223 0.000 0.482) 6.241 4.990 ( 3.910 0.000 4.569) 6.013 5.199 ( -0.893 0.000 0.102) 0.899 5.214 ( 0.052 0.000 2.433) 2.433 5.319 ( -8.891 0.000 5.136) 10.268 5.324 ( -3.508 0.000 4.730) 5.889 5.541 ( 5.319 0.000 -1.505) 5.528 5.598 ( -1.310 0.000 -5.007) 5.175 5.621 ( 1.268 0.000 1.910) 2.293 5.799 ( -0.847 0.000 3.217) 3.326 5.894 ( -2.498 0.000 7.735) 8.129 6.144 ( 2.303 0.000 1.122) 2.562 6.161 ( 3.797 0.000 1.234) 3.993 6.309 ( -2.653 0.000 6.340) 6.873 6.320 ( -0.482 0.000 -3.862) 3.892 6.413 ( -2.262 0.000 -10.609) 10.847 6.495 ( -3.782 0.000 1.614) 4.112 6.631 ( 3.698 0.000 10.726) 11.346 6.706 ( 3.525 0.000 17.729) 18.076 6.876 ( -3.590 0.000 -22.679) 22.961 6.976 ( -3.660 0.000 7.317) 8.181 7.061 ( 3.098 0.000 0.632) 3.162 7.165 ( -2.437 0.000 -4.199) 4.855 7.322 ( 2.428 0.000 -6.832) 7.251 7.386 ( 5.545 0.000 11.031) 12.346 7.463 ( -10.624 0.000 -0.619) 10.642 7.771 ( 6.043 0.000 -6.311) 8.738 7.855 ( 2.378 0.000 -6.394) 6.822 7.913 ( 4.857 0.000 -10.442) 11.516 8.011 ( -2.344 0.000 1.030) 2.561 8.360 ( 16.485 0.000 -4.453) 17.076 8.441 ( 2.535 0.000 -2.404) 3.494 8.468 ( 3.508 0.000 -2.932) 4.572 8.566 ( 1.322 0.000 9.392) 9.485 8.639 ( -11.170 0.000 -9.527) 14.681 8.713 ( -3.049 0.000 0.210) 3.057 8.894 ( 8.206 0.000 3.390) 8.878 8.930 ( -1.331 0.000 -1.295) 1.857 9.044 ( -7.382 0.000 -0.403) 7.393 9.119 ( -4.716 0.000 -6.213) 7.800 9.300 ( 5.706 0.000 -0.701) 5.749 9.447 ( 2.031 0.000 0.998) 2.263 9.646 ( 1.846 0.000 -0.455) 1.901 9.765 ( -6.125 0.000 0.071) 6.125 9.866 ( -6.088 0.000 6.722) 9.069 9.907 ( 3.123 0.000 0.990) 3.276 9.952 ( 4.355 0.000 0.523) 4.386 9.962 ( -2.582 0.000 -5.204) 5.809 10.149 ( 1.168 0.000 3.677) 3.858 10.185 ( -4.704 0.000 1.428) 4.916 10.269 ( 2.481 0.000 5.901) 6.401 10.336 ( -7.393 0.000 1.600) 7.564 10.384 ( -5.137 0.000 2.607) 5.760 10.446 ( -1.977 0.000 2.793) 3.421 10.858 ( -0.354 0.000 -3.901) 3.917 11.010 ( 3.195 0.000 7.914) 8.534 11.241 ( 5.665 0.000 9.277) 10.870 11.459 ( -0.257 0.000 -3.324) 3.334 11.527 ( -7.294 0.000 -0.574) 7.316 11.612 ( -4.848 0.000 1.971) 5.234 11.693 ( -0.525 0.000 2.674) 2.725 11.800 ( -0.958 0.000 -8.363) 8.418 11.847 ( -3.011 0.000 -4.275) 5.229 11.920 ( -6.658 0.000 3.859) 7.695 11.953 ( 13.601 0.000 1.657) 13.702 12.226 ( 8.507 0.000 3.697) 9.276 12.342 ( -0.870 0.000 1.332) 1.591 12.357 ( -2.246 0.000 0.297) 2.266 12.781 ( -1.296 0.000 1.341) 1.865 12.958 ( -9.481 0.000 -9.387) 13.342 13.125 ( -2.173 0.000 -7.869) 8.164 13.236 ( -5.108 0.000 -3.269) 6.064 13.254 ( 11.459 0.000 -7.942) 13.942 13.327 ( -0.413 0.000 1.313) 1.377 13.540 ( -0.175 0.000 -1.224) 1.237 13.599 ( 5.263 0.000 -6.297) 8.207 13.772 ( 7.371 0.000 3.598) 8.202 13.871 ( -1.855 0.000 3.184) 3.685 14.304 ( -5.572 0.000 5.244) 7.652 14.305 ( 0.998 0.000 7.769) 7.833 14.351 ( -0.378 0.000 0.201) 0.428 14.524 ( -2.990 0.000 0.628) 3.055 14.524 ( 3.703 0.000 -1.474) 3.985 14.549 ( -5.365 0.000 -1.176) 5.492 14.716 ( 2.723 0.000 -6.773) 7.300 14.746 ( 6.737 0.000 3.053) 7.397 15.094 ( 0.099 0.000 5.669) 5.670 15.126 ( 5.106 0.000 -2.872) 5.858 15.340 ( 2.176 0.000 2.044) 2.985 15.526 ( 4.237 0.000 -0.296) 4.247 15.570 ( 4.086 0.000 -4.209) 5.866 15.856 ( -1.863 0.000 -5.588) 5.891 16.750 ( -7.749 0.000 1.533) 7.899 16.841 ( -4.213 0.000 -4.290) 6.012 17.545 ( 3.016 0.000 3.440) 4.575 17.773 ( 1.568 0.000 -7.425) 7.589 18.118 ( 1.667 0.000 4.941) 5.215 18.677 ( -5.997 0.000 -5.181) 7.925 19.167 ( 9.683 0.000 5.964) 11.373 19.579 ( 9.789 0.000 -0.899) 9.830 19.595 ( 1.838 0.000 10.258) 10.421 19.998 ( -0.098 0.000 -8.052) 8.053 20.631 ( 14.149 0.000 -1.409) 14.219 20.907 ( -9.719 0.000 12.028) 15.464 21.213 ( 0.734 0.000 4.756) 4.813 21.325 ( 1.474 0.000 -0.949) 1.753 21.545 ( -0.640 0.000 -4.353) 4.400 21.802 ( -6.377 0.000 1.058) 6.464 22.004 ( -4.413 0.000 -3.322) 5.523 22.158 ( 1.460 0.000 -2.256) 2.688 22.223 ( -6.981 0.000 3.210) 7.684 22.270 ( -3.746 0.000 -4.991) 6.240 22.370 ( 0.436 0.000 0.091) 0.445 22.383 ( -0.006 0.000 -0.275) 0.275 27.581 ( 3.608 0.000 -4.350) 5.652 27.840 ( -6.235 0.000 -6.401) 8.936 28.271 ( 0.488 0.000 7.461) 7.477 28.348 ( -3.030 0.000 2.362) 3.842 28.454 ( 1.302 0.000 2.589) 2.897 28.552 ( -2.445 0.000 0.208) 2.454 28.703 ( -2.812 0.000 2.408) 3.702 28.779 ( 0.511 0.000 0.432) 0.669 28.784 ( -0.536 0.000 1.682) 1.766 28.799 ( 2.246 0.000 1.472) 2.685 29.001 ( 3.253 0.000 6.133) 6.943 29.323 ( -5.032 0.000 -12.155) 13.155 29.424 ( -1.664 0.000 -1.911) 2.534 29.501 ( 3.731 0.000 4.150) 5.581 29.521 ( -4.845 0.000 -2.734) 5.563 29.640 ( 0.349 0.000 4.669) 4.682 29.768 ( 3.376 0.000 7.016) 7.786 29.798 ( -2.350 0.000 -1.953) 3.056 30.151 ( -1.753 0.000 -1.148) 2.096 30.207 ( -0.610 0.000 -1.275) 1.414 30.263 ( 9.976 0.000 -0.183) 9.978 30.307 ( 2.129 0.000 1.976) 2.905 30.683 ( 8.213 0.000 0.001) 8.213 30.802 ( -4.572 0.000 -3.233) 5.599 31.109 ( -1.749 0.000 -3.801) 4.184 31.133 ( -9.410 0.000 -5.617) 10.959 31.307 ( -3.262 0.000 -1.913) 3.781 31.339 ( 1.729 0.000 2.908) 3.383 31.480 ( 6.960 0.000 -12.420) 14.237 31.508 ( -5.173 0.000 -4.832) 7.079 31.620 ( 2.604 0.000 0.697) 2.696 31.795 ( -4.542 0.000 6.483) 7.916 31.823 ( 0.442 0.000 -3.740) 3.766 31.870 ( 2.526 0.000 5.924) 6.440 32.240 ( 3.580 0.000 9.574) 10.222 32.397 ( 1.464 0.000 7.518) 7.660 32.516 ( 0.498 0.000 -3.107) 3.147 32.759 ( 0.365 0.000 -7.096) 7.105 33.076 ( 5.282 0.000 -2.182) 5.715 33.144 ( -6.792 0.000 4.059) 7.913 34.430 ( 6.308 0.000 0.601) 6.336 34.719 ( -2.987 0.000 0.296) 3.002 ======================= Grid point 89 (44/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -4.472 0.000 18.321) 18.859 1.154 ( 2.484 0.000 -5.152) 5.719 1.265 ( -4.897 0.000 4.792) 6.851 1.345 ( 3.206 0.000 -17.510) 17.801 1.357 ( -2.255 0.000 -18.824) 18.958 1.411 ( 7.601 0.000 -7.605) 10.752 1.674 ( 1.286 0.000 5.644) 5.789 1.692 ( 6.229 0.000 0.993) 6.308 1.928 ( 4.145 0.000 -3.003) 5.119 1.951 ( -6.262 0.000 -0.975) 6.337 2.079 ( 3.465 0.000 6.118) 7.031 2.176 ( 1.343 0.000 -4.520) 4.716 2.266 ( -0.666 0.000 -3.738) 3.797 2.287 ( -7.059 0.000 -4.841) 8.560 2.422 ( -0.701 0.000 7.633) 7.665 2.501 ( 1.166 0.000 -1.241) 1.703 2.577 ( 2.464 0.000 4.699) 5.306 2.585 ( 0.665 0.000 1.688) 1.814 2.623 ( -3.828 0.000 2.897) 4.801 2.684 ( 1.790 0.000 -1.404) 2.275 2.726 ( 1.533 0.000 3.492) 3.814 2.748 ( -4.039 0.000 -2.127) 4.565 2.820 ( 1.645 0.000 12.324) 12.433 2.830 ( 0.850 0.000 11.903) 11.933 2.921 ( -9.157 0.000 1.854) 9.343 2.938 ( 3.926 0.000 -3.181) 5.053 3.063 ( -0.662 0.000 -4.242) 4.294 3.065 ( 2.481 0.000 1.220) 2.764 3.139 ( -5.174 0.000 -5.757) 7.741 3.139 ( 4.083 0.000 -6.859) 7.982 3.199 ( -5.325 0.000 -2.007) 5.691 3.256 ( 6.794 0.000 -7.624) 10.211 3.391 ( 8.932 0.000 2.483) 9.270 3.425 ( -3.306 0.000 -0.675) 3.374 3.570 ( -4.831 0.000 4.405) 6.538 3.590 ( -7.375 0.000 3.422) 8.130 3.696 ( -5.632 0.000 1.857) 5.930 3.763 ( 1.334 0.000 -3.441) 3.691 3.909 ( 5.740 0.000 1.758) 6.003 3.967 ( 0.173 0.000 2.169) 2.176 4.026 ( -1.804 0.000 0.622) 1.908 4.027 ( 12.085 0.000 2.725) 12.388 4.132 ( 0.468 0.000 -9.987) 9.998 4.183 ( -5.028 0.000 0.244) 5.034 4.200 ( 4.586 0.000 -7.968) 9.194 4.231 ( -8.342 0.000 -6.161) 10.371 4.489 ( 0.458 0.000 -0.019) 0.458 4.501 ( -5.536 0.000 -0.182) 5.539 4.514 ( 10.794 0.000 1.993) 10.976 4.521 ( -5.567 0.000 -0.621) 5.602 4.678 ( 0.771 0.000 19.628) 19.643 4.705 ( 2.898 0.000 4.199) 5.102 4.736 ( 2.347 0.000 1.486) 2.777 4.993 ( -3.272 0.000 -8.153) 8.785 5.037 ( -7.216 0.000 4.040) 8.269 5.099 ( 0.959 0.000 -0.711) 1.194 5.144 ( -0.193 0.000 -1.804) 1.814 5.148 ( 4.034 0.000 -2.941) 4.992 5.310 ( 1.122 0.000 7.196) 7.283 5.373 ( -0.883 0.000 6.344) 6.405 5.519 ( 0.149 0.000 -3.266) 3.269 5.535 ( 0.142 0.000 -7.146) 7.148 5.681 ( 2.969 0.000 2.933) 4.174 5.766 ( -2.655 0.000 -2.905) 3.936 5.971 ( 3.580 0.000 5.071) 6.208 6.114 ( -8.557 0.000 -3.109) 9.104 6.188 ( -3.538 0.000 4.751) 5.923 6.298 ( 3.242 0.000 -6.477) 7.243 6.338 ( 4.534 0.000 1.538) 4.788 6.412 ( 4.287 0.000 6.061) 7.424 6.415 ( -1.956 0.000 -9.775) 9.969 6.567 ( -4.171 0.000 -10.031) 10.864 6.889 ( 6.073 0.000 17.494) 18.518 6.926 ( -2.080 0.000 10.487) 10.691 7.005 ( 0.814 0.000 7.481) 7.525 7.115 ( 1.646 0.000 -8.651) 8.806 7.196 ( 4.406 0.000 1.514) 4.659 7.210 ( -6.701 0.000 -0.710) 6.739 7.464 ( 3.527 0.000 9.154) 9.810 7.473 ( -2.036 0.000 2.980) 3.609 7.710 ( -1.622 0.000 -17.082) 17.159 7.722 ( -3.626 0.000 -11.253) 11.822 7.902 ( 13.042 0.000 -5.075) 13.995 7.916 ( -10.245 0.000 -2.118) 10.462 8.385 ( -6.443 0.000 -2.496) 6.909 8.395 ( 4.472 0.000 -4.244) 6.165 8.573 ( 3.531 0.000 -0.543) 3.573 8.577 ( 3.104 0.000 1.964) 3.673 8.645 ( -13.744 0.000 4.267) 14.391 8.666 ( 9.039 0.000 4.815) 10.241 8.825 ( -5.046 0.000 -5.490) 7.457 8.849 ( -0.566 0.000 -7.226) 7.248 9.072 ( 5.976 0.000 4.481) 7.470 9.094 ( -2.598 0.000 1.896) 3.216 9.440 ( 6.122 0.000 3.767) 7.188 9.489 ( 0.452 0.000 -0.273) 0.529 9.666 ( -7.041 0.000 2.243) 7.390 9.692 ( 4.099 0.000 -0.072) 4.099 9.805 ( -5.093 0.000 -3.352) 6.097 9.824 ( -0.489 0.000 -4.235) 4.263 10.005 ( 3.776 0.000 9.285) 10.024 10.115 ( -0.450 0.000 -1.311) 1.386 10.156 ( 6.878 0.000 4.552) 8.248 10.159 ( -4.724 0.000 -0.173) 4.727 10.210 ( -2.064 0.000 -4.272) 4.745 10.212 ( -6.090 0.000 -0.879) 6.153 10.440 ( 3.908 0.000 3.968) 5.569 10.470 ( -0.241 0.000 0.468) 0.527 10.891 ( 2.361 0.000 6.611) 7.020 11.078 ( -0.662 0.000 -8.170) 8.197 11.397 ( -1.493 0.000 1.629) 2.210 11.403 ( 2.799 0.000 1.464) 3.159 11.512 ( 0.054 0.000 8.020) 8.020 11.521 ( -2.875 0.000 1.262) 3.139 11.626 ( -1.867 0.000 -1.241) 2.242 11.735 ( -3.628 0.000 -8.100) 8.875 11.793 ( 0.919 0.000 4.510) 4.602 11.881 ( -1.231 0.000 -1.719) 2.115 12.250 ( 11.449 0.000 3.301) 11.915 12.290 ( -2.090 0.000 -2.362) 3.154 12.356 ( -0.842 0.000 6.065) 6.123 12.418 ( 5.270 0.000 1.810) 5.572 12.693 ( -5.060 0.000 -2.794) 5.780 12.716 ( -5.932 0.000 -6.028) 8.457 13.053 ( 1.823 0.000 -1.612) 2.433 13.099 ( -5.979 0.000 -5.184) 7.914 13.297 ( -5.345 0.000 0.941) 5.427 13.364 ( 10.624 0.000 -4.425) 11.509 13.535 ( -1.240 0.000 0.953) 1.564 13.593 ( 4.213 0.000 -5.996) 7.328 13.877 ( -2.455 0.000 2.062) 3.206 13.885 ( 3.739 0.000 1.252) 3.943 14.286 ( -4.143 0.000 3.643) 5.517 14.344 ( 2.752 0.000 -1.597) 3.182 14.359 ( 0.915 0.000 1.595) 1.838 14.407 ( -3.843 0.000 -3.555) 5.235 14.549 ( -3.916 0.000 5.937) 7.113 14.634 ( 3.666 0.000 0.130) 3.668 14.720 ( 1.584 0.000 3.913) 4.221 14.845 ( 5.504 0.000 -3.581) 6.567 15.120 ( -3.188 0.000 3.223) 4.534 15.162 ( 3.229 0.000 -1.798) 3.696 15.420 ( 2.409 0.000 3.833) 4.527 15.521 ( -1.425 0.000 -6.883) 7.029 15.612 ( 4.729 0.000 3.981) 6.181 15.719 ( -6.379 0.000 -6.870) 9.375 16.699 ( -1.398 0.000 1.994) 2.435 16.756 ( 0.336 0.000 -3.910) 3.924 17.582 ( -1.279 0.000 3.742) 3.954 17.684 ( -0.418 0.000 -7.036) 7.049 18.300 ( 8.502 0.000 9.578) 12.807 18.480 ( -7.300 0.000 -9.196) 11.741 19.435 ( 9.448 0.000 10.709) 14.281 19.599 ( -5.418 0.000 -5.753) 7.902 19.705 ( -1.956 0.000 8.410) 8.635 19.870 ( 0.933 0.000 -9.833) 9.877 20.789 ( -16.572 0.000 5.513) 17.465 20.827 ( 11.649 0.000 1.153) 11.705 21.308 ( 2.884 0.000 6.647) 7.245 21.458 ( 0.967 0.000 -8.576) 8.631 21.511 ( 12.504 0.000 7.527) 14.595 21.645 ( -11.393 0.000 -5.836) 12.801 22.014 ( 4.011 0.000 4.367) 5.930 22.124 ( -4.040 0.000 -6.834) 7.939 22.140 ( -6.324 0.000 1.275) 6.452 22.170 ( 2.665 0.000 -1.467) 3.042 22.383 ( -0.374 0.000 0.261) 0.456 22.396 ( 2.635 0.000 -0.677) 2.721 27.629 ( 6.159 0.000 -0.039) 6.160 27.672 ( -6.984 0.000 -4.710) 8.424 28.334 ( -2.690 0.000 2.588) 3.733 28.347 ( 1.729 0.000 2.417) 2.972 28.507 ( 2.020 0.000 2.177) 2.970 28.521 ( -1.835 0.000 0.023) 1.835 28.697 ( -2.066 0.000 3.208) 3.816 28.763 ( 0.125 0.000 -1.903) 1.907 28.793 ( -0.194 0.000 0.911) 0.931 28.817 ( 0.037 0.000 -1.929) 1.929 29.130 ( 2.876 0.000 6.487) 7.096 29.206 ( -1.218 0.000 -3.326) 3.542 29.391 ( 1.511 0.000 -0.943) 1.781 29.406 ( -4.922 0.000 -2.972) 5.750 29.629 ( 4.650 0.000 5.141) 6.932 29.689 ( -0.659 0.000 0.529) 0.845 29.771 ( 0.823 0.000 0.970) 1.272 29.822 ( -0.022 0.000 -1.566) 1.566 30.136 ( 0.915 0.000 0.143) 0.926 30.157 ( -1.784 0.000 -2.035) 2.706 30.360 ( 0.072 0.000 1.532) 1.534 30.369 ( 0.790 0.000 0.327) 0.855 30.772 ( -1.229 0.000 3.440) 3.653 30.807 ( 7.456 0.000 1.972) 7.712 30.921 ( -9.750 0.000 -4.246) 10.635 30.986 ( 1.172 0.000 -8.499) 8.579 31.322 ( -7.292 0.000 1.939) 7.546 31.332 ( 3.561 0.000 2.580) 4.398 31.403 ( -2.133 0.000 -3.774) 4.335 31.446 ( 6.218 0.000 -9.866) 11.662 31.685 ( 2.943 0.000 3.327) 4.443 31.749 ( -5.191 0.000 -1.233) 5.335 31.817 ( -1.461 0.000 3.804) 4.075 31.908 ( 2.247 0.000 -2.772) 3.569 32.419 ( 1.074 0.000 13.412) 13.455 32.475 ( -0.267 0.000 3.999) 4.008 32.514 ( 1.364 0.000 -1.109) 1.758 32.665 ( 1.693 0.000 -11.482) 11.606 33.092 ( -7.215 0.000 4.111) 8.304 33.153 ( 6.936 0.000 -1.763) 7.157 34.547 ( 6.534 0.000 3.230) 7.289 34.613 ( -7.166 0.000 -3.500) 7.975 ======================= Grid point 90 (45/63) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -11.986 0.000 1.584) 12.091 1.070 ( -1.361 0.000 -10.708) 10.794 1.163 ( -11.799 0.000 3.679) 12.359 1.167 ( -5.163 0.000 13.168) 14.144 1.233 ( -1.244 0.000 4.887) 5.043 1.351 ( 0.629 0.000 -5.035) 5.075 1.671 ( -2.408 0.000 -4.933) 5.489 1.708 ( -10.962 0.000 1.296) 11.038 1.843 ( 3.588 0.000 -3.454) 4.980 1.917 ( -10.126 0.000 -3.825) 10.824 2.150 ( 4.258 0.000 1.959) 4.687 2.171 ( -5.371 0.000 -5.882) 7.965 2.312 ( 15.282 0.000 2.767) 15.531 2.379 ( 7.392 0.000 5.561) 9.250 2.440 ( -3.140 0.000 2.780) 4.194 2.451 ( -1.316 0.000 -4.960) 5.132 2.556 ( -4.868 0.000 -3.740) 6.139 2.566 ( -5.598 0.000 -1.420) 5.775 2.634 ( -1.612 0.000 3.254) 3.631 2.690 ( 1.360 0.000 -1.789) 2.247 2.751 ( 3.648 0.000 0.115) 3.650 2.766 ( 7.122 0.000 6.025) 9.329 2.834 ( -6.409 0.000 4.078) 7.596 2.889 ( -1.077 0.000 -11.703) 11.752 2.912 ( -1.672 0.000 -5.253) 5.513 2.991 ( 2.786 0.000 2.133) 3.508 3.015 ( -3.346 0.000 3.363) 4.744 3.080 ( 3.953 0.000 1.261) 4.149 3.085 ( 0.377 0.000 -0.797) 0.882 3.128 ( 6.633 0.000 7.084) 9.704 3.179 ( 3.188 0.000 5.377) 6.251 3.285 ( -3.027 0.000 -2.985) 4.251 3.323 ( 1.383 0.000 -3.537) 3.798 3.447 ( -1.618 0.000 -4.885) 5.146 3.612 ( -0.672 0.000 3.793) 3.853 3.615 ( -0.458 0.000 12.169) 12.178 3.698 ( -4.964 0.000 1.074) 5.079 3.745 ( -1.494 0.000 -6.664) 6.830 3.862 ( 0.760 0.000 6.192) 6.239 3.930 ( -2.705 0.000 -6.575) 7.110 4.048 ( 0.453 0.000 -5.139) 5.159 4.053 ( 1.003 0.000 1.596) 1.885 4.123 ( 3.698 0.000 3.098) 4.824 4.139 ( 8.091 0.000 2.922) 8.603 4.261 ( 2.894 0.000 -0.502) 2.938 4.326 ( -3.197 0.000 -2.851) 4.284 4.357 ( 1.723 0.000 2.922) 3.392 4.462 ( -5.701 0.000 0.892) 5.770 4.494 ( 1.450 0.000 -0.976) 1.748 4.633 ( 3.420 0.000 0.402) 3.444 4.688 ( -2.809 0.000 -7.314) 7.835 4.787 ( 7.696 0.000 -0.373) 7.705 4.828 ( 6.128 0.000 -6.259) 8.759 4.893 ( -9.894 0.000 2.900) 10.310 4.990 ( -0.614 0.000 5.919) 5.951 5.058 ( -3.596 0.000 -4.306) 5.610 5.234 ( 6.293 0.000 -2.781) 6.880 5.250 ( 12.748 0.000 8.091) 15.098 5.369 ( -2.247 0.000 2.763) 3.561 5.374 ( -0.115 0.000 -11.715) 11.716 5.475 ( -0.398 0.000 7.220) 7.231 5.548 ( 3.719 0.000 -1.608) 4.052 5.665 ( -2.145 0.000 -3.915) 4.465 5.741 ( -1.826 0.000 5.926) 6.201 5.966 ( -0.603 0.000 -4.535) 4.575 6.169 ( -3.622 0.000 1.496) 3.919 6.207 ( -4.368 0.000 -4.500) 6.272 6.230 ( 8.827 0.000 21.434) 23.180 6.354 ( 2.018 0.000 -3.134) 3.727 6.404 ( -4.267 0.000 -9.925) 10.804 6.410 ( 3.624 0.000 -2.718) 4.530 6.547 ( 2.134 0.000 8.532) 8.795 6.909 ( -5.771 0.000 -10.895) 12.329 7.030 ( 0.699 0.000 -9.500) 9.526 7.053 ( 0.019 0.000 4.691) 4.691 7.065 ( 4.829 0.000 -0.871) 4.907 7.128 ( -6.510 0.000 -2.650) 7.029 7.301 ( 7.897 0.000 3.644) 8.697 7.448 ( -6.173 0.000 -7.016) 9.345 7.485 ( -0.146 0.000 3.444) 3.447 7.645 ( 3.621 0.000 10.585) 11.187 7.684 ( -13.466 0.000 -2.560) 13.707 7.731 ( 6.291 0.000 5.758) 8.528 8.035 ( 6.507 0.000 -0.839) 6.561 8.291 ( -23.287 0.000 1.770) 23.354 8.328 ( -1.856 0.000 2.328) 2.977 8.506 ( -6.781 0.000 -1.443) 6.932 8.530 ( 11.642 0.000 1.260) 11.710 8.674 ( 1.824 0.000 0.583) 1.915 8.775 ( 0.418 0.000 -5.349) 5.365 8.858 ( 3.993 0.000 4.530) 6.039 8.925 ( 11.896 0.000 6.416) 13.516 8.975 ( -9.373 0.000 -5.324) 10.779 9.110 ( -2.988 0.000 0.321) 3.005 9.374 ( -7.681 0.000 -7.368) 10.644 9.479 ( -2.235 0.000 -0.047) 2.236 9.637 ( 0.253 0.000 -0.163) 0.301 9.756 ( 2.991 0.000 1.814) 3.498 9.806 ( 2.565 0.000 5.643) 6.198 9.857 ( 4.801 0.000 3.133) 5.733 9.978 ( -10.653 0.000 -0.936) 10.694 10.040 ( 0.274 0.000 -5.841) 5.848 10.178 ( 2.006 0.000 2.816) 3.457 10.189 ( 0.775 0.000 -0.908) 1.194 10.266 ( 9.367 0.000 5.679) 10.954 10.334 ( 8.678 0.000 -0.224) 8.681 10.445 ( 0.692 0.000 -3.705) 3.769 10.521 ( 5.035 0.000 -1.944) 5.398 10.896 ( -4.548 0.000 -8.201) 9.378 11.020 ( 0.140 0.000 7.553) 7.555 11.380 ( -2.453 0.000 -4.822) 5.410 11.425 ( 1.000 0.000 -0.653) 1.194 11.529 ( -0.302 0.000 5.895) 5.902 11.580 ( 2.439 0.000 1.416) 2.820 11.628 ( 2.868 0.000 0.265) 2.880 11.743 ( 2.966 0.000 7.301) 7.880 11.844 ( 3.094 0.000 -6.541) 7.236 11.867 ( -1.024 0.000 5.402) 5.498 12.116 ( -10.561 0.000 -7.890) 13.183 12.228 ( -7.998 0.000 -0.195) 8.001 12.384 ( -0.407 0.000 -2.609) 2.641 12.405 ( -0.041 0.000 -5.322) 5.322 12.778 ( 9.223 0.000 4.182) 10.127 12.799 ( 11.255 0.000 7.932) 13.769 12.957 ( -10.142 0.000 2.452) 10.434 13.133 ( 4.891 0.000 6.447) 8.092 13.209 ( -5.628 0.000 -0.815) 5.686 13.416 ( 3.839 0.000 -5.823) 6.975 13.516 ( -3.697 0.000 2.176) 4.290 13.575 ( 2.723 0.000 -6.869) 7.389 13.818 ( -6.617 0.000 -1.086) 6.705 13.919 ( 1.767 0.000 -1.480) 2.305 14.284 ( -1.319 0.000 4.522) 4.711 14.359 ( -0.048 0.000 -0.264) 0.269 14.371 ( 3.698 0.000 -1.866) 4.142 14.429 ( 3.192 0.000 4.291) 5.348 14.563 ( -2.871 0.000 4.642) 5.458 14.650 ( 3.998 0.000 -4.852) 6.286 14.755 ( -3.295 0.000 2.001) 3.855 14.768 ( -1.873 0.000 -15.299) 15.413 15.081 ( -5.916 0.000 1.989) 6.242 15.171 ( 0.954 0.000 -2.394) 2.577 15.394 ( -6.150 0.000 -4.094) 7.388 15.482 ( -0.665 0.000 4.088) 4.142 15.545 ( -6.596 0.000 -3.355) 7.400 15.736 ( 2.450 0.000 6.618) 7.057 16.757 ( 4.183 0.000 3.851) 5.686 16.779 ( 7.365 0.000 -1.721) 7.563 17.614 ( -0.706 0.000 -4.171) 4.230 17.631 ( -0.628 0.000 6.851) 6.880 18.271 ( -5.040 0.000 -9.928) 11.134 18.547 ( 9.997 0.000 8.023) 12.818 19.325 ( -14.559 0.000 -9.585) 17.431 19.545 ( -7.322 0.000 3.331) 8.044 19.781 ( -1.072 0.000 -8.952) 9.016 19.828 ( 4.628 0.000 9.828) 10.863 20.588 ( -17.140 0.000 3.596) 17.513 20.991 ( 7.742 0.000 2.283) 8.072 21.364 ( -0.469 0.000 -9.171) 9.183 21.405 ( -6.200 0.000 -9.535) 11.373 21.442 ( 4.173 0.000 6.084) 7.377 21.775 ( 11.148 0.000 4.915) 12.183 22.003 ( -1.450 0.000 -3.960) 4.217 22.090 ( -2.079 0.000 3.829) 4.357 22.165 ( 4.560 0.000 6.199) 7.695 22.228 ( 5.116 0.000 0.749) 5.171 22.377 ( 0.073 0.000 -0.629) 0.633 22.421 ( 3.277 0.000 -2.774) 4.293 27.542 ( -5.677 0.000 -0.766) 5.729 27.750 ( 7.148 0.000 3.103) 7.793 28.331 ( -1.202 0.000 1.532) 1.947 28.385 ( 2.558 0.000 -0.842) 2.693 28.495 ( -1.002 0.000 -1.263) 1.612 28.560 ( 3.141 0.000 0.003) 3.141 28.731 ( -0.534 0.000 5.962) 5.986 28.750 ( 1.996 0.000 -2.614) 3.289 28.796 ( -0.388 0.000 -0.351) 0.524 28.800 ( -0.588 0.000 1.176) 1.315 29.121 ( -3.944 0.000 -5.087) 6.437 29.190 ( -0.878 0.000 1.046) 1.366 29.361 ( -0.200 0.000 3.787) 3.792 29.465 ( 5.734 0.000 2.986) 6.465 29.612 ( -3.209 0.000 -6.773) 7.494 29.729 ( 3.765 0.000 -1.298) 3.982 29.771 ( -0.712 0.000 -2.205) 2.317 29.823 ( 1.300 0.000 1.410) 1.917 30.131 ( -0.522 0.000 0.354) 0.631 30.182 ( 3.137 0.000 1.340) 3.412 30.289 ( -8.749 0.000 -2.438) 9.083 30.318 ( -5.693 0.000 0.782) 5.746 30.711 ( -10.886 0.000 -3.255) 11.362 30.747 ( -1.917 0.000 3.165) 3.700 31.029 ( 10.611 0.000 4.327) 11.460 31.049 ( 10.240 0.000 1.056) 10.294 31.252 ( -5.095 0.000 5.355) 7.392 31.341 ( -2.920 0.000 -0.381) 2.944 31.382 ( -1.134 0.000 -0.357) 1.189 31.465 ( 7.285 0.000 -2.329) 7.648 31.650 ( -4.302 0.000 -2.295) 4.876 31.749 ( -0.375 0.000 3.566) 3.586 31.854 ( -1.097 0.000 5.534) 5.642 31.909 ( 4.058 0.000 -4.686) 6.198 32.481 ( -1.513 0.000 -2.200) 2.671 32.493 ( -0.955 0.000 -2.304) 2.494 32.527 ( 0.575 0.000 -14.350) 14.362 32.587 ( 1.665 0.000 10.239) 10.373 33.023 ( -7.896 0.000 3.493) 8.634 33.220 ( 6.110 0.000 -3.263) 6.927 34.461 ( -7.674 0.000 -2.711) 8.138 34.690 ( 6.431 0.000 3.537) 7.340 ======================= Grid point 91 (46/63) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -17.376 0.000 19.482) 26.105 0.925 ( -16.973 0.000 10.118) 19.760 1.080 ( -1.259 0.000 -0.149) 1.267 1.125 ( -7.732 0.000 1.855) 7.951 1.431 ( 3.735 0.000 6.513) 7.508 1.449 ( -17.030 0.000 3.406) 17.367 1.476 ( -9.389 0.000 8.225) 12.482 1.558 ( 5.660 0.000 11.522) 12.837 1.772 ( -4.405 0.000 -0.885) 4.493 1.996 ( 10.809 0.000 9.330) 14.279 2.005 ( -8.047 0.000 0.572) 8.067 2.199 ( -6.276 0.000 -9.075) 11.034 2.326 ( -1.369 0.000 -5.141) 5.320 2.329 ( 1.102 0.000 -0.487) 1.205 2.388 ( 0.195 0.000 -9.457) 9.459 2.435 ( -1.242 0.000 1.382) 1.858 2.519 ( 2.471 0.000 -2.739) 3.689 2.571 ( 3.880 0.000 1.674) 4.226 2.635 ( -0.714 0.000 2.319) 2.426 2.662 ( 1.122 0.000 -9.918) 9.982 2.721 ( 0.478 0.000 -4.446) 4.471 2.763 ( -5.951 0.000 -1.031) 6.040 2.827 ( 2.468 0.000 -4.985) 5.562 2.877 ( 3.909 0.000 1.146) 4.074 2.971 ( 1.185 0.000 6.019) 6.134 3.047 ( -6.156 0.000 3.006) 6.850 3.075 ( 5.880 0.000 -0.232) 5.884 3.075 ( 1.672 0.000 2.681) 3.160 3.132 ( -2.037 0.000 -5.385) 5.757 3.231 ( 3.471 0.000 4.438) 5.634 3.305 ( 5.088 0.000 5.634) 7.592 3.323 ( 3.490 0.000 2.513) 4.300 3.332 ( 2.429 0.000 -1.685) 2.956 3.384 ( 2.176 0.000 -3.475) 4.100 3.546 ( -6.249 0.000 -8.380) 10.453 3.607 ( 1.386 0.000 -4.732) 4.931 3.657 ( 6.929 0.000 4.180) 8.092 3.716 ( -6.748 0.000 10.527) 12.504 3.845 ( 1.559 0.000 -3.719) 4.032 3.994 ( 1.307 0.000 -3.060) 3.327 4.123 ( -2.385 0.000 -4.295) 4.913 4.125 ( 3.024 0.000 4.782) 5.658 4.218 ( -3.552 0.000 -1.368) 3.807 4.218 ( -0.385 0.000 9.647) 9.655 4.266 ( 4.824 0.000 -0.383) 4.840 4.276 ( 1.958 0.000 2.963) 3.552 4.382 ( -0.319 0.000 6.235) 6.243 4.386 ( -0.998 0.000 3.666) 3.800 4.490 ( 7.669 0.000 -0.679) 7.699 4.657 ( -1.017 0.000 -0.431) 1.105 4.772 ( 9.716 0.000 1.870) 9.894 4.794 ( -5.687 0.000 1.367) 5.849 4.832 ( 0.996 0.000 -9.382) 9.434 4.858 ( 5.998 0.000 -5.923) 8.430 4.943 ( -3.092 0.000 -2.592) 4.035 4.965 ( 0.922 0.000 -1.270) 1.569 5.200 ( -4.800 0.000 -5.134) 7.028 5.252 ( 1.415 0.000 -5.397) 5.579 5.394 ( 3.623 0.000 -0.255) 3.632 5.452 ( 4.563 0.000 -1.027) 4.677 5.504 ( 0.343 0.000 -3.432) 3.449 5.585 ( 0.978 0.000 2.303) 2.502 5.648 ( 1.021 0.000 -4.901) 5.006 5.815 ( 1.139 0.000 5.470) 5.587 5.983 ( 4.515 0.000 -1.086) 4.644 6.098 ( -4.974 0.000 -2.839) 5.727 6.106 ( -4.785 0.000 -1.865) 5.136 6.265 ( -4.594 0.000 -0.555) 4.627 6.314 ( -6.842 0.000 -4.283) 8.072 6.418 ( 7.579 0.000 7.556) 10.702 6.592 ( 9.304 0.000 5.596) 10.858 6.651 ( -4.869 0.000 -10.276) 11.371 6.780 ( 1.814 0.000 14.465) 14.579 6.796 ( -2.665 0.000 -16.273) 16.490 7.035 ( 0.584 0.000 1.112) 1.256 7.047 ( 0.480 0.000 -3.281) 3.316 7.210 ( 7.107 0.000 3.821) 8.069 7.243 ( -3.199 0.000 0.700) 3.274 7.334 ( -10.000 0.000 -8.342) 13.023 7.617 ( 11.146 0.000 4.454) 12.003 7.663 ( -2.491 0.000 4.120) 4.815 7.790 ( 0.900 0.000 7.435) 7.489 7.836 ( 1.606 0.000 4.224) 4.519 8.013 ( -17.236 0.000 5.138) 17.986 8.081 ( 1.686 0.000 -0.117) 1.690 8.362 ( -9.084 0.000 0.014) 9.084 8.402 ( 1.870 0.000 6.989) 7.235 8.537 ( -9.636 0.000 -10.154) 13.998 8.738 ( -0.443 0.000 4.650) 4.671 8.756 ( 3.066 0.000 -0.237) 3.075 8.869 ( 6.449 0.000 -3.064) 7.140 8.944 ( 2.404 0.000 2.429) 3.418 9.078 ( -1.199 0.000 2.924) 3.160 9.114 ( 0.575 0.000 6.747) 6.771 9.233 ( -2.466 0.000 1.072) 2.689 9.426 ( -2.861 0.000 -1.694) 3.325 9.662 ( 3.584 0.000 -0.919) 3.700 9.804 ( -7.951 0.000 -3.195) 8.569 9.831 ( 4.200 0.000 1.936) 4.624 9.937 ( 3.576 0.000 7.132) 7.979 9.971 ( 4.125 0.000 2.004) 4.586 10.004 ( 2.175 0.000 -4.310) 4.828 10.156 ( -2.026 0.000 -4.199) 4.662 10.228 ( 1.192 0.000 -0.004) 1.192 10.320 ( 2.630 0.000 -9.085) 9.458 10.453 ( 1.355 0.000 -2.601) 2.933 10.464 ( 7.567 0.000 3.619) 8.388 10.534 ( 4.915 0.000 -8.804) 10.083 10.828 ( -0.791 0.000 3.039) 3.140 11.021 ( 0.205 0.000 -3.722) 3.728 11.249 ( -1.998 0.000 -8.206) 8.446 11.455 ( 1.499 0.000 1.623) 2.210 11.639 ( 5.145 0.000 -1.228) 5.289 11.673 ( 2.163 0.000 1.912) 2.887 11.719 ( -6.050 0.000 -6.945) 9.211 11.749 ( -3.198 0.000 -0.256) 3.208 11.785 ( 1.041 0.000 7.078) 7.155 11.847 ( 1.943 0.000 6.480) 6.765 12.042 ( 6.686 0.000 -0.233) 6.690 12.103 ( -9.556 0.000 -0.263) 9.559 12.346 ( -1.899 0.000 -2.217) 2.919 12.457 ( 12.221 0.000 -0.024) 12.221 12.746 ( -9.962 0.000 -1.370) 10.056 13.040 ( 9.085 0.000 6.346) 11.082 13.067 ( 4.345 0.000 13.681) 14.354 13.127 ( -2.995 0.000 -1.157) 3.211 13.281 ( 3.518 0.000 3.683) 5.093 13.354 ( -0.535 0.000 -5.633) 5.658 13.482 ( -5.935 0.000 4.070) 7.196 13.517 ( -3.076 0.000 0.062) 3.076 13.674 ( -8.647 0.000 -3.254) 9.239 13.920 ( 2.023 0.000 -2.731) 3.398 14.336 ( -2.714 0.000 -8.079) 8.523 14.353 ( 1.074 0.000 1.994) 2.265 14.408 ( 4.525 0.000 -2.421) 5.132 14.492 ( -0.331 0.000 -1.538) 1.573 14.525 ( 0.061 0.000 6.095) 6.095 14.620 ( -3.791 0.000 6.247) 7.307 14.624 ( 0.714 0.000 -6.339) 6.379 14.706 ( -0.431 0.000 -2.686) 2.720 15.017 ( -6.038 0.000 3.421) 6.940 15.088 ( -7.184 0.000 -5.179) 8.857 15.314 ( -0.131 0.000 2.386) 2.390 15.475 ( -1.822 0.000 0.323) 1.851 15.488 ( -3.419 0.000 2.067) 3.995 15.819 ( -1.011 0.000 5.443) 5.536 16.888 ( 5.748 0.000 4.099) 7.060 16.911 ( 11.853 0.000 -1.615) 11.962 17.504 ( -7.321 0.000 -7.641) 10.582 17.687 ( -3.751 0.000 5.430) 6.600 18.144 ( 0.731 0.000 -2.939) 3.028 18.723 ( 1.864 0.000 0.767) 2.016 19.078 ( -3.996 0.000 -0.927) 4.102 19.409 ( -11.468 0.000 -0.203) 11.470 19.608 ( -6.446 0.000 -9.604) 11.567 19.957 ( -0.081 0.000 4.502) 4.502 20.399 ( -13.144 0.000 3.717) 13.660 21.046 ( 0.175 0.000 -8.046) 8.047 21.234 ( -2.513 0.000 -5.219) 5.792 21.371 ( 9.622 0.000 3.753) 10.328 21.528 ( -0.134 0.000 1.892) 1.897 21.906 ( 6.277 0.000 -0.869) 6.337 22.048 ( 4.469 0.000 3.924) 5.947 22.121 ( -0.678 0.000 3.124) 3.197 22.281 ( 2.210 0.000 3.287) 3.961 22.323 ( 4.554 0.000 2.482) 5.187 22.389 ( 2.556 0.000 0.373) 2.583 22.425 ( 4.239 0.000 -5.674) 7.083 27.497 ( -3.207 0.000 4.508) 5.532 27.889 ( 5.203 0.000 4.059) 6.599 28.318 ( 0.914 0.000 -4.285) 4.381 28.412 ( 3.297 0.000 -1.750) 3.733 28.458 ( -0.714 0.000 -2.738) 2.830 28.601 ( 3.321 0.000 -1.115) 3.503 28.758 ( 2.132 0.000 -1.823) 2.805 28.759 ( -3.774 0.000 -4.106) 5.577 28.786 ( -0.206 0.000 0.665) 0.696 28.801 ( 1.272 0.000 -0.055) 1.273 28.989 ( -4.196 0.000 -5.882) 7.225 29.307 ( 7.662 0.000 18.325) 19.863 29.431 ( 1.180 0.000 2.045) 2.361 29.482 ( -2.763 0.000 -3.797) 4.696 29.585 ( 5.305 0.000 0.268) 5.312 29.679 ( 0.740 0.000 -4.241) 4.305 29.773 ( -3.399 0.000 -8.386) 9.049 29.835 ( 5.294 0.000 2.666) 5.928 30.080 ( -9.215 0.000 3.103) 9.724 30.172 ( -5.407 0.000 -0.669) 5.448 30.202 ( 2.336 0.000 -0.227) 2.347 30.309 ( 2.434 0.000 1.177) 2.704 30.519 ( -12.692 0.000 0.877) 12.723 30.833 ( 4.699 0.000 8.002) 9.279 31.118 ( 0.238 0.000 -0.647) 0.690 31.242 ( 8.976 0.000 3.191) 9.526 31.298 ( -5.867 0.000 9.777) 11.402 31.323 ( -2.504 0.000 -2.105) 3.271 31.382 ( 8.717 0.000 3.267) 9.309 31.548 ( 2.850 0.000 2.018) 3.492 31.599 ( -0.034 0.000 -0.232) 0.235 31.764 ( -2.339 0.000 2.785) 3.637 31.876 ( -2.266 0.000 -5.359) 5.818 31.904 ( 2.398 0.000 -4.714) 5.289 32.246 ( -7.041 0.000 -14.329) 15.966 32.418 ( -1.806 0.000 -6.700) 6.939 32.488 ( -0.311 0.000 2.889) 2.906 32.714 ( 0.912 0.000 7.596) 7.650 32.978 ( -3.782 0.000 5.819) 6.940 33.264 ( 5.417 0.000 -3.351) 6.370 34.335 ( -6.623 0.000 -0.533) 6.644 34.762 ( 0.669 0.000 -4.068) 4.122 ======================= Grid point 92 (47/63) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -27.839 0.000 5.465) 28.371 0.812 ( -14.104 0.000 9.331) 16.911 1.053 ( -8.262 0.000 9.215) 12.377 1.208 ( 4.641 0.000 12.661) 13.485 1.378 ( -1.978 0.000 6.356) 6.657 1.407 ( 0.071 0.000 13.037) 13.037 1.606 ( -6.496 0.000 8.021) 10.321 1.743 ( 9.118 0.000 1.781) 9.291 1.791 ( -5.541 0.000 2.911) 6.259 1.993 ( 2.946 0.000 -5.198) 5.975 2.015 ( 4.849 0.000 6.604) 8.193 2.320 ( 2.447 0.000 -5.093) 5.650 2.326 ( 10.979 0.000 -1.467) 11.077 2.345 ( 1.075 0.000 16.394) 16.429 2.361 ( 2.757 0.000 0.097) 2.759 2.427 ( -0.011 0.000 -1.522) 1.522 2.489 ( -1.357 0.000 -2.979) 3.273 2.513 ( 1.277 0.000 -6.040) 6.174 2.620 ( -10.096 0.000 5.553) 11.522 2.661 ( 4.078 0.000 0.343) 4.092 2.675 ( -1.842 0.000 -0.426) 1.890 2.708 ( 0.468 0.000 1.253) 1.337 2.841 ( 2.718 0.000 0.940) 2.876 2.887 ( -10.488 0.000 1.049) 10.541 2.925 ( 0.344 0.000 -0.313) 0.465 2.997 ( -4.643 0.000 -4.125) 6.211 3.072 ( 1.793 0.000 5.379) 5.670 3.130 ( 3.942 0.000 -3.517) 5.283 3.188 ( 3.192 0.000 1.438) 3.501 3.261 ( -4.017 0.000 1.939) 4.461 3.340 ( 3.231 0.000 0.980) 3.377 3.360 ( 0.547 0.000 -1.530) 1.625 3.373 ( 3.158 0.000 -2.176) 3.836 3.434 ( 3.654 0.000 -5.527) 6.626 3.498 ( 8.435 0.000 1.987) 8.666 3.566 ( 0.668 0.000 -7.332) 7.362 3.696 ( -3.495 0.000 -7.015) 7.838 3.698 ( -8.471 0.000 6.949) 10.956 3.830 ( 1.571 0.000 -4.333) 4.609 3.875 ( -5.454 0.000 -7.226) 9.053 4.079 ( -7.818 0.000 1.064) 7.890 4.081 ( 11.364 0.000 0.782) 11.390 4.221 ( -6.780 0.000 -3.861) 7.802 4.225 ( -1.796 0.000 0.412) 1.843 4.272 ( 0.328 0.000 2.381) 2.403 4.363 ( 0.537 0.000 3.892) 3.929 4.508 ( -2.915 0.000 3.806) 4.794 4.512 ( 1.010 0.000 1.965) 2.210 4.605 ( -3.042 0.000 -1.463) 3.376 4.611 ( 5.574 0.000 -6.842) 8.825 4.743 ( 3.786 0.000 -0.461) 3.814 4.813 ( 14.068 0.000 4.348) 14.724 4.865 ( -0.493 0.000 2.952) 2.993 4.923 ( -10.730 0.000 -1.669) 10.859 4.956 ( 3.193 0.000 4.135) 5.225 4.971 ( 12.199 0.000 3.567) 12.710 5.074 ( 2.862 0.000 -5.294) 6.019 5.274 ( 4.463 0.000 -0.450) 4.485 5.400 ( 1.174 0.000 -2.520) 2.780 5.413 ( -2.388 0.000 -1.627) 2.890 5.533 ( -0.353 0.000 -7.636) 7.644 5.604 ( 6.743 0.000 3.204) 7.466 5.605 ( -0.902 0.000 0.422) 0.996 5.755 ( -7.409 0.000 -6.009) 9.540 5.957 ( 0.333 0.000 -10.255) 10.261 5.976 ( -6.002 0.000 -6.191) 8.623 6.113 ( -5.166 0.000 -5.172) 7.310 6.141 ( -10.586 0.000 -3.097) 11.029 6.169 ( 7.981 0.000 6.109) 10.051 6.398 ( -5.057 0.000 -13.844) 14.739 6.654 ( 0.458 0.000 -1.984) 2.036 6.668 ( 2.399 0.000 -5.562) 6.057 6.713 ( 6.811 0.000 10.768) 12.742 6.926 ( 2.191 0.000 8.989) 9.252 6.967 ( -8.903 0.000 -11.416) 14.477 7.157 ( -2.043 0.000 1.225) 2.383 7.166 ( 6.111 0.000 7.300) 9.520 7.315 ( 4.138 0.000 8.432) 9.393 7.384 ( 4.588 0.000 3.582) 5.821 7.607 ( -4.248 0.000 0.040) 4.248 7.613 ( -9.021 0.000 -5.116) 10.371 7.783 ( -6.740 0.000 4.229) 7.957 7.910 ( 8.229 0.000 -3.969) 9.136 8.029 ( 8.128 0.000 -8.356) 11.657 8.103 ( -5.618 0.000 14.865) 15.891 8.196 ( -11.349 0.000 0.349) 11.354 8.338 ( 2.168 0.000 -3.036) 3.731 8.540 ( 2.298 0.000 5.078) 5.574 8.674 ( -8.473 0.000 -1.718) 8.645 8.782 ( -2.876 0.000 -0.454) 2.912 8.898 ( 2.077 0.000 0.897) 2.263 9.033 ( 5.031 0.000 -0.420) 5.048 9.082 ( -3.436 0.000 3.793) 5.118 9.201 ( -0.382 0.000 5.091) 5.105 9.330 ( 3.730 0.000 9.066) 9.803 9.381 ( -2.061 0.000 5.384) 5.765 9.658 ( -4.595 0.000 -1.385) 4.799 9.713 ( 4.319 0.000 -0.759) 4.386 9.867 ( -1.190 0.000 -3.518) 3.714 9.968 ( -2.791 0.000 -3.424) 4.418 10.038 ( 1.459 0.000 -2.637) 3.013 10.057 ( 3.217 0.000 -0.499) 3.256 10.065 ( -0.618 0.000 1.384) 1.516 10.180 ( -0.822 0.000 -4.453) 4.528 10.325 ( 9.566 0.000 -5.097) 10.839 10.425 ( 0.539 0.000 -2.018) 2.089 10.458 ( 2.689 0.000 -10.474) 10.814 10.568 ( 1.001 0.000 2.294) 2.503 10.892 ( -0.073 0.000 7.348) 7.349 11.015 ( 4.478 0.000 -4.577) 6.403 11.176 ( 3.664 0.000 -5.037) 6.228 11.451 ( -7.543 0.000 -9.194) 11.892 11.472 ( -9.825 0.000 -9.150) 13.426 11.483 ( 1.407 0.000 -0.255) 1.430 11.694 ( -1.015 0.000 -0.526) 1.143 11.791 ( -10.014 0.000 -1.142) 10.079 11.868 ( -6.441 0.000 -0.790) 6.489 11.988 ( 11.305 0.000 3.044) 11.708 12.016 ( 3.759 0.000 8.136) 8.962 12.173 ( 7.112 0.000 1.660) 7.303 12.309 ( -2.529 0.000 3.919) 4.664 12.624 ( -7.067 0.000 5.700) 9.079 12.646 ( 14.254 0.000 -1.655) 14.350 13.037 ( -3.350 0.000 -3.116) 4.575 13.073 ( -4.334 0.000 -10.486) 11.346 13.257 ( -2.663 0.000 -3.551) 4.439 13.302 ( 3.807 0.000 11.092) 11.727 13.404 ( -9.207 0.000 3.297) 9.780 13.439 ( -6.317 0.000 4.916) 8.005 13.513 ( -4.157 0.000 -1.392) 4.384 13.614 ( 16.049 0.000 7.940) 17.906 13.909 ( 1.149 0.000 -3.784) 3.954 14.197 ( -0.951 0.000 2.274) 2.465 14.405 ( 3.625 0.000 -2.026) 4.153 14.417 ( 0.514 0.000 -5.427) 5.451 14.524 ( 1.382 0.000 -0.596) 1.505 14.592 ( -4.078 0.000 2.231) 4.648 14.653 ( -2.536 0.000 9.065) 9.413 14.706 ( 4.293 0.000 -2.248) 4.846 14.708 ( 10.229 0.000 7.460) 12.660 14.923 ( -4.601 0.000 -0.905) 4.689 15.003 ( -2.961 0.000 5.440) 6.193 15.395 ( 2.811 0.000 -0.602) 2.875 15.438 ( -3.321 0.000 -1.328) 3.577 15.508 ( 8.951 0.000 3.132) 9.483 15.832 ( -4.364 0.000 3.136) 5.374 16.988 ( 2.984 0.000 2.121) 3.661 17.056 ( 10.620 0.000 -3.282) 11.115 17.264 ( -10.792 0.000 -2.535) 11.086 17.593 ( -11.926 0.000 -2.140) 12.116 18.232 ( 4.999 0.000 6.510) 8.207 18.639 ( -3.693 0.000 -4.378) 5.727 19.155 ( 2.190 0.000 2.072) 3.015 19.241 ( -7.651 0.000 -2.003) 7.909 19.459 ( 0.685 0.000 -0.443) 0.816 19.939 ( -5.218 0.000 -1.294) 5.376 20.311 ( -6.277 0.000 6.253) 8.860 20.854 ( -3.171 0.000 -16.718) 17.016 21.226 ( 2.902 0.000 2.797) 4.031 21.499 ( -2.631 0.000 -1.789) 3.181 21.664 ( 13.417 0.000 9.235) 16.288 21.985 ( 3.157 0.000 -0.011) 3.157 22.119 ( -1.758 0.000 0.732) 1.905 22.128 ( 1.050 0.000 2.326) 2.552 22.319 ( 0.604 0.000 1.009) 1.176 22.388 ( -0.263 0.000 1.143) 1.173 22.439 ( 7.946 0.000 -5.426) 9.622 22.444 ( 1.628 0.000 1.981) 2.564 27.555 ( -0.377 0.000 9.589) 9.596 27.982 ( 1.186 0.000 2.270) 2.561 28.244 ( -1.008 0.000 -6.915) 6.988 28.410 ( -0.790 0.000 -3.663) 3.748 28.438 ( 3.725 0.000 -2.917) 4.731 28.545 ( -7.003 0.000 -5.351) 8.813 28.675 ( 1.339 0.000 0.483) 1.424 28.758 ( 0.133 0.000 -1.218) 1.225 28.792 ( -0.462 0.000 0.812) 0.934 28.814 ( 1.644 0.000 -3.283) 3.671 28.909 ( 0.603 0.000 0.000) 0.603 29.356 ( -5.785 0.000 -6.343) 8.585 29.411 ( -4.819 0.000 -3.242) 5.808 29.553 ( -1.371 0.000 -5.419) 5.590 29.675 ( 3.684 0.000 2.049) 4.215 29.734 ( 5.811 0.000 0.133) 5.812 29.769 ( 18.254 0.000 10.146) 20.884 29.985 ( 8.695 0.000 3.556) 9.394 30.014 ( -5.154 0.000 3.286) 6.112 30.075 ( -4.809 0.000 -0.529) 4.838 30.256 ( 2.910 0.000 1.030) 3.087 30.312 ( -3.710 0.000 -1.476) 3.993 30.396 ( -6.371 0.000 4.605) 7.861 31.050 ( 8.812 0.000 5.227) 10.245 31.089 ( -1.635 0.000 -1.130) 1.988 31.133 ( -15.385 0.000 -14.781) 21.335 31.362 ( -3.431 0.000 12.488) 12.951 31.381 ( -3.164 0.000 -1.981) 3.733 31.450 ( 2.713 0.000 -2.495) 3.686 31.539 ( 7.182 0.000 1.275) 7.294 31.634 ( -2.879 0.000 0.540) 2.929 31.735 ( 2.708 0.000 7.481) 7.956 31.739 ( -5.140 0.000 1.009) 5.239 31.877 ( 1.551 0.000 -3.296) 3.643 32.144 ( 1.523 0.000 -6.361) 6.541 32.286 ( -2.748 0.000 -9.760) 10.139 32.606 ( 5.551 0.000 8.191) 9.894 32.783 ( -1.027 0.000 3.967) 4.097 33.101 ( 9.111 0.000 8.598) 12.528 33.304 ( 4.132 0.000 -2.053) 4.614 34.262 ( -3.360 0.000 1.098) 3.535 34.563 ( -14.412 0.000 -8.551) 16.758 ======================= Grid point 93 (48/63) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -2.460 27.066 6.473) 27.937 1.057 ( 0.351 22.154 -7.798) 23.489 1.321 ( 1.834 2.113 10.919) 11.272 1.434 ( -2.849 9.849 11.180) 15.169 1.507 ( -0.115 21.532 0.785) 21.547 1.557 ( 3.773 -0.798 -4.691) 6.072 1.667 ( 2.478 2.353 10.266) 10.819 1.812 ( -7.110 -2.701 -1.987) 7.861 2.010 ( 0.045 13.383 5.850) 14.606 2.137 ( -0.335 8.319 -7.133) 10.963 2.239 ( 5.173 -7.132 5.913) 10.610 2.305 ( 0.148 -0.221 3.188) 3.199 2.328 ( 0.815 0.754 -3.202) 3.389 2.374 ( -3.830 -0.056 -1.276) 4.037 2.485 ( -1.926 1.063 0.075) 2.201 2.501 ( 1.010 3.085 0.123) 3.249 2.521 ( 5.779 1.445 7.341) 9.453 2.569 ( 3.515 2.878 -1.179) 4.693 2.603 ( -3.595 1.397 -2.202) 4.441 2.660 ( 0.056 4.100 -2.690) 4.904 2.733 ( -0.313 1.050 3.162) 3.347 2.796 ( 2.166 3.257 3.504) 5.251 2.836 ( -1.556 -3.843 6.964) 8.105 2.942 ( -0.586 7.012 6.278) 9.430 2.975 ( 3.539 6.160 1.774) 7.322 3.006 ( 3.173 2.275 5.014) 6.355 3.048 ( 1.772 3.214 -5.332) 6.473 3.153 ( -4.174 3.218 0.198) 5.274 3.175 ( -0.579 -2.320 3.502) 4.241 3.233 ( -2.295 3.437 -6.046) 7.323 3.288 ( -2.580 3.930 -5.459) 7.204 3.379 ( -0.368 -1.002 -2.705) 2.908 3.412 ( -6.120 -5.026 0.920) 7.973 3.472 ( 3.245 -1.340 -3.924) 5.266 3.504 ( 4.410 0.097 0.119) 4.413 3.588 ( -2.503 4.779 -5.579) 7.761 3.651 ( -7.291 1.735 1.144) 7.582 3.687 ( 9.139 3.338 0.280) 9.733 3.799 ( 0.877 1.735 -0.851) 2.123 3.868 ( -2.571 -4.559 -8.104) 9.647 3.942 ( 2.967 4.201 5.418) 7.470 4.061 ( -0.072 2.058 -2.183) 3.002 4.102 ( 1.155 -6.810 4.491) 8.239 4.209 ( -3.706 -1.896 -5.845) 7.175 4.245 ( 1.151 -1.723 7.655) 7.930 4.338 ( -9.867 -8.587 0.767) 13.102 4.416 ( 0.572 -8.816 -3.348) 9.447 4.454 ( -2.724 -3.314 -4.999) 6.587 4.551 ( 3.290 7.020 2.096) 8.031 4.637 ( -1.118 5.256 -3.560) 6.446 4.690 ( -0.329 -4.014 -3.589) 5.394 4.698 ( 1.213 -4.002 -2.740) 5.000 4.961 ( 0.604 -1.436 3.106) 3.475 4.989 ( 3.450 -0.392 -0.688) 3.540 5.073 ( -4.373 -5.693 3.604) 8.032 5.125 ( 0.628 2.173 2.237) 3.181 5.167 ( -2.415 -2.596 1.557) 3.872 5.232 ( 7.200 -8.064 -1.951) 10.985 5.281 ( -0.219 -7.245 -1.020) 7.320 5.331 ( -0.311 -4.437 -1.536) 4.705 5.418 ( 7.690 -0.222 5.574) 9.500 5.541 ( -5.654 4.414 -3.011) 7.779 5.608 ( -2.184 -3.804 5.388) 6.948 5.775 ( 6.056 -1.352 1.775) 6.454 5.807 ( 3.572 -0.110 -8.215) 8.959 5.859 ( -1.868 -0.083 -4.700) 5.059 5.938 ( -0.703 1.086 -2.776) 3.063 5.946 ( -5.582 -0.960 -3.805) 6.824 6.257 ( 5.577 -9.335 4.771) 11.875 6.324 ( 0.714 -6.519 -1.819) 6.806 6.405 ( -5.056 -17.857 -3.654) 18.915 6.488 ( -2.397 -6.060 -15.331) 16.659 6.700 ( 3.457 -0.791 12.817) 13.299 6.810 ( 3.082 -3.470 6.047) 7.622 7.023 ( -0.826 2.765 -7.955) 8.463 7.062 ( -4.677 1.147 -9.161) 10.350 7.290 ( 0.050 -2.851 4.460) 5.294 7.351 ( -0.997 0.427 0.273) 1.119 7.417 ( 2.446 -2.102 4.526) 5.558 7.501 ( -0.328 -1.427 -3.225) 3.541 7.733 ( 4.836 6.745 5.905) 10.186 7.794 ( -8.797 6.290 -0.414) 10.823 7.928 ( -0.995 -2.746 4.339) 5.230 7.997 ( 5.469 -1.290 -4.681) 7.313 8.100 ( -4.753 -1.493 3.132) 5.885 8.188 ( -0.092 -5.158 -4.975) 7.167 8.464 ( -1.678 -0.901 9.969) 10.149 8.534 ( 8.402 2.507 3.416) 9.410 8.569 ( -3.372 -0.629 -2.403) 4.188 8.663 ( -1.262 0.706 -3.126) 3.444 9.000 ( 5.263 2.427 10.514) 12.006 9.106 ( 1.813 4.129 1.398) 4.721 9.143 ( -4.142 1.433 -3.685) 5.726 9.203 ( -3.653 4.972 -7.286) 9.547 9.442 ( 2.676 -1.983 7.413) 8.127 9.538 ( -0.473 -0.865 0.106) 0.991 9.746 ( -0.845 0.920 1.577) 2.012 9.754 ( 0.252 1.937 4.687) 5.078 9.796 ( -3.649 1.108 -0.501) 3.846 9.911 ( 2.013 6.529 -5.116) 8.535 9.951 ( -1.737 4.970 1.574) 5.495 10.081 ( -0.126 -1.321 2.708) 3.016 10.108 ( 1.744 1.097 -4.104) 4.592 10.158 ( 1.733 -1.429 -1.542) 2.724 10.263 ( -0.485 -3.790 -0.931) 3.933 10.373 ( -1.363 -3.536 -7.285) 8.212 10.583 ( 6.269 5.124 0.018) 8.096 10.595 ( -4.959 4.040 -0.644) 6.428 11.044 ( -0.918 6.122 2.293) 6.601 11.090 ( 0.839 4.495 -2.819) 5.372 11.244 ( -1.283 -0.565 0.061) 1.403 11.258 ( 1.436 -0.900 -0.539) 1.779 11.390 ( -2.313 6.840 -1.421) 7.359 11.449 ( -2.860 2.630 -5.382) 6.638 11.587 ( 0.497 2.322 3.319) 4.082 11.682 ( -0.333 0.242 -6.039) 6.053 11.997 ( 3.577 2.547 5.253) 6.846 12.076 ( 2.097 -0.573 0.200) 2.183 12.123 ( -1.317 0.822 0.533) 1.641 12.184 ( -3.629 -1.718 -2.905) 4.956 12.534 ( 7.376 5.576 11.354) 14.643 12.727 ( 6.336 -0.929 11.803) 13.429 12.758 ( -3.743 3.623 -10.172) 11.428 12.932 ( -1.180 1.681 -4.719) 5.146 12.962 ( -4.494 0.216 -4.354) 6.261 13.008 ( -8.256 1.501 -7.786) 11.447 13.314 ( -3.148 -6.811 5.803) 9.486 13.349 ( 0.965 -7.631 2.387) 8.054 13.431 ( 0.850 1.507 5.149) 5.432 13.489 ( 3.294 1.694 -1.399) 3.959 13.717 ( 0.274 -8.252 1.654) 8.420 13.776 ( 6.270 -8.214 -3.087) 10.785 14.302 ( -1.855 1.211 1.031) 2.443 14.346 ( 0.921 -0.560 -3.936) 4.081 14.389 ( -0.997 -1.784 4.449) 4.896 14.502 ( 0.865 -3.232 -5.945) 6.822 14.540 ( -1.582 -3.570 2.262) 4.512 14.574 ( -0.172 -3.189 -0.966) 3.336 14.735 ( -6.406 1.133 4.802) 8.086 14.803 ( 8.828 1.783 -1.728) 9.170 14.966 ( -6.616 -4.330 4.596) 9.146 15.012 ( 11.140 -4.055 0.313) 11.859 15.411 ( 2.197 3.893 1.454) 4.700 15.462 ( -2.057 5.670 -3.132) 6.797 15.653 ( 4.875 -4.356 5.303) 8.418 15.729 ( -5.914 -2.482 -2.664) 6.945 17.058 ( -2.211 1.457 2.653) 3.748 17.102 ( 1.436 -0.524 -1.596) 2.210 17.297 ( 5.881 2.727 2.220) 6.852 17.362 ( -5.981 -0.011 -4.359) 7.401 18.374 ( 0.236 1.192 6.536) 6.648 18.506 ( -0.624 -3.289 -6.612) 7.411 19.128 ( -1.101 0.667 2.699) 2.990 19.177 ( 1.640 -0.426 -1.838) 2.500 19.635 ( 8.548 -0.466 4.181) 9.527 19.711 ( -7.125 -3.873 -3.488) 8.828 20.419 ( -0.622 4.361 6.077) 7.505 20.589 ( -2.081 -2.216 -11.569) 11.962 21.338 ( 3.331 -0.274 4.114) 5.301 21.387 ( -0.371 -2.518 -0.740) 2.651 21.906 ( 1.578 1.801 2.994) 3.834 21.953 ( -3.655 -0.782 -2.053) 4.264 22.086 ( 1.767 -1.487 2.315) 3.270 22.124 ( -1.214 -1.999 -1.463) 2.758 22.380 ( -2.434 3.059 1.392) 4.149 22.403 ( 2.082 2.027 -0.728) 2.995 22.472 ( -1.727 1.047 2.535) 3.241 22.518 ( 2.569 1.190 -2.256) 3.620 27.776 ( 1.141 6.050 11.197) 12.778 27.951 ( -4.489 2.378 -5.278) 7.326 28.178 ( 1.221 -4.163 5.935) 7.351 28.266 ( -2.071 -4.994 -3.665) 6.532 28.443 ( -0.741 0.898 -3.464) 3.654 28.465 ( 4.840 0.272 -5.308) 7.189 28.733 ( 2.728 2.187 0.268) 3.507 28.750 ( -3.402 2.089 -1.734) 4.353 28.803 ( 0.418 0.625 -0.260) 0.796 28.809 ( -1.414 0.443 -0.612) 1.603 28.970 ( 5.493 -1.755 2.856) 6.435 29.064 ( -7.900 -3.946 -7.459) 11.559 29.433 ( 0.556 2.080 2.285) 3.140 29.470 ( -2.501 -0.068 -1.668) 3.007 29.758 ( 3.570 -1.202 0.105) 3.769 29.774 ( 2.277 -1.207 -1.811) 3.150 29.883 ( 4.009 -2.648 4.641) 6.680 29.943 ( -2.805 -3.328 -1.617) 4.643 30.034 ( 2.687 -0.812 2.094) 3.502 30.055 ( -4.841 -2.095 -0.039) 5.275 30.305 ( 1.051 0.687 0.948) 1.573 30.325 ( -1.321 -0.022 -1.111) 1.727 30.632 ( 4.374 14.669 9.250) 17.885 30.792 ( -10.870 10.411 -6.861) 16.542 31.065 ( -1.451 -1.119 1.518) 2.380 31.119 ( 1.306 -0.583 -3.980) 4.229 31.420 ( 11.412 -2.968 5.200) 12.888 31.447 ( -4.834 -3.274 2.700) 6.432 31.468 ( -3.227 -4.857 2.244) 6.248 31.515 ( 0.847 -2.785 -1.083) 3.106 31.624 ( 3.371 1.136 2.609) 4.411 31.683 ( -2.400 1.162 -1.467) 3.044 31.856 ( -1.500 1.144 6.724) 6.984 31.995 ( 3.624 -1.611 2.251) 4.560 32.030 ( 2.041 3.233 -9.410) 10.157 32.132 ( -3.659 0.312 -9.257) 9.959 32.802 ( 4.753 4.849 2.442) 7.216 32.829 ( -4.345 4.922 -0.144) 6.567 33.150 ( 3.391 -10.288 3.470) 11.375 33.205 ( -1.479 -9.090 -2.620) 9.575 34.363 ( 3.840 4.563 -0.125) 5.965 34.385 ( -5.184 4.364 -2.475) 7.214 ======================= Grid point 94 (49/63) ======================= q-point: ( 0.12 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 2.547 19.304 0.797) 19.488 1.085 ( 8.303 16.237 2.362) 18.389 1.307 ( -7.437 7.995 0.532) 10.932 1.474 ( -2.305 0.989 -6.339) 6.818 1.550 ( 4.231 2.692 -0.282) 5.023 1.600 ( -4.073 3.382 -5.359) 7.533 1.643 ( 10.028 15.893 1.849) 18.883 1.850 ( 3.432 3.205 4.285) 6.357 2.005 ( -2.933 9.819 -0.172) 10.249 2.140 ( 3.825 13.524 2.067) 14.206 2.228 ( -4.240 0.653 -3.285) 5.403 2.260 ( -3.302 1.656 -1.877) 4.143 2.324 ( -0.312 -3.356 1.598) 3.730 2.403 ( -1.098 1.534 1.211) 2.242 2.429 ( -3.993 4.248 -3.075) 6.592 2.546 ( -0.901 7.121 -0.495) 7.195 2.549 ( 2.834 0.282 -1.037) 3.031 2.569 ( 1.966 2.300 -6.008) 6.726 2.633 ( -0.136 1.649 1.524) 2.250 2.677 ( 4.968 -5.114 -1.189) 7.228 2.763 ( -0.242 2.573 -1.963) 3.246 2.784 ( -0.207 -0.761 1.272) 1.496 2.895 ( -0.057 1.486 -1.833) 2.360 2.913 ( 0.145 0.494 -2.319) 2.375 2.955 ( -6.262 2.466 -6.443) 9.316 3.018 ( 2.914 4.715 0.707) 5.587 3.058 ( -0.877 10.524 -3.240) 11.047 3.138 ( 0.494 0.377 5.307) 5.343 3.213 ( 3.662 4.346 7.617) 9.504 3.265 ( 0.774 3.638 -2.443) 4.450 3.306 ( 3.764 -0.505 5.195) 6.435 3.352 ( -4.263 -0.402 4.907) 6.513 3.369 ( 1.217 0.835 -0.437) 1.539 3.453 ( -2.085 -1.239 -5.578) 6.083 3.480 ( -3.438 -3.317 -0.612) 4.816 3.517 ( -2.721 1.975 3.698) 4.998 3.613 ( 2.477 -1.845 -0.951) 3.232 3.717 ( -0.424 -1.665 -0.031) 1.718 3.788 ( 0.316 4.407 0.224) 4.424 3.855 ( -1.775 -0.714 1.317) 2.323 3.959 ( -2.455 0.031 -1.443) 2.847 4.017 ( -1.794 -4.781 0.103) 5.107 4.127 ( 0.620 -4.227 -1.220) 4.443 4.167 ( -6.042 -6.200 3.651) 9.395 4.263 ( 6.641 1.605 2.641) 7.325 4.371 ( -1.134 -4.167 3.964) 5.862 4.457 ( 0.561 -1.422 1.568) 2.190 4.477 ( 2.944 -1.984 2.408) 4.290 4.534 ( 5.389 -2.351 -0.069) 5.880 4.591 ( -2.573 4.255 2.952) 5.783 4.643 ( -4.101 0.253 -1.222) 4.287 4.727 ( 1.063 -0.870 1.114) 1.769 4.898 ( -9.535 -5.780 -0.816) 11.180 4.976 ( -2.485 -4.698 -0.844) 5.381 5.002 ( -1.044 -0.747 0.946) 1.594 5.063 ( -6.777 0.088 -3.349) 7.560 5.156 ( -1.611 0.146 -1.088) 1.950 5.204 ( -4.379 -8.908 -0.149) 9.927 5.321 ( 1.028 -3.560 -1.638) 4.052 5.363 ( 3.445 -5.310 -1.707) 6.556 5.423 ( 1.400 5.060 -5.158) 7.360 5.592 ( 3.058 0.907 4.452) 5.477 5.658 ( -1.313 -4.380 -0.669) 4.621 5.723 ( -2.674 -1.373 -7.513) 8.092 5.752 ( -1.145 -1.452 -1.312) 2.267 5.841 ( 2.518 -5.473 3.068) 6.761 5.954 ( 7.572 2.570 5.867) 9.918 6.059 ( 9.162 -2.910 3.465) 10.218 6.233 ( -5.241 -5.881 -8.710) 11.744 6.325 ( 1.060 -5.868 -1.851) 6.244 6.405 ( 0.408 -7.896 7.957) 11.217 6.434 ( 3.412 -12.743 7.071) 14.967 6.755 ( -0.125 -3.783 -6.651) 7.653 6.808 ( -5.843 -0.856 -10.375) 11.938 6.982 ( 3.472 2.282 7.395) 8.482 7.101 ( 6.919 -1.344 6.725) 9.742 7.302 ( -0.074 -3.290 -1.914) 3.807 7.345 ( -9.033 -3.406 -2.869) 10.071 7.422 ( 6.736 0.995 2.935) 7.415 7.554 ( 6.249 -2.884 -0.059) 6.883 7.633 ( -4.104 8.541 1.675) 9.623 7.831 ( -5.750 3.333 7.404) 9.949 7.870 ( -5.854 1.522 -3.684) 7.082 8.039 ( 4.419 -1.252 -6.499) 7.958 8.148 ( 7.875 -3.152 3.760) 9.279 8.286 ( 10.956 -3.845 1.054) 11.659 8.448 ( -5.097 2.436 -2.826) 6.317 8.515 ( -2.490 -1.738 1.056) 3.215 8.578 ( 2.188 -0.870 -3.720) 4.402 8.709 ( 3.882 0.551 1.636) 4.248 8.996 ( -4.775 3.176 -8.037) 9.873 9.073 ( -2.046 4.527 0.142) 4.970 9.169 ( 2.429 0.048 2.967) 3.835 9.241 ( 6.960 5.173 5.431) 10.233 9.416 ( -7.126 -3.803 -5.575) 9.815 9.541 ( 1.430 -1.571 2.158) 3.028 9.717 ( -1.254 2.629 0.462) 2.949 9.787 ( -1.162 4.696 -0.326) 4.849 9.835 ( -0.141 5.046 1.263) 5.204 9.898 ( 5.892 0.450 1.911) 6.211 10.006 ( 0.295 6.043 -6.511) 8.888 10.023 ( -1.951 5.168 6.488) 8.521 10.082 ( -3.508 -3.865 -1.318) 5.383 10.123 ( -1.407 -2.647 -0.587) 3.054 10.257 ( -2.926 -3.004 -2.435) 4.849 10.332 ( -0.317 -1.800 6.313) 6.572 10.445 ( -10.723 4.519 -0.920) 11.672 10.606 ( -3.508 0.146 -0.365) 3.530 11.028 ( -1.877 2.397 -0.974) 3.196 11.109 ( -2.606 2.571 4.186) 5.561 11.158 ( 1.583 8.527 -4.650) 9.840 11.339 ( 3.559 2.943 2.237) 5.132 11.432 ( 4.227 6.589 2.451) 8.203 11.506 ( 7.709 1.025 3.780) 8.647 11.649 ( 6.447 -2.173 -1.764) 7.028 11.663 ( 2.334 0.394 3.579) 4.291 11.951 ( -5.821 1.905 -3.043) 6.839 12.023 ( -5.650 -2.667 -3.608) 7.215 12.131 ( -1.024 2.205 0.922) 2.600 12.186 ( -1.585 0.276 1.410) 2.139 12.506 ( -6.015 2.747 -8.239) 10.564 12.680 ( -7.302 0.959 -4.379) 8.568 12.730 ( -3.913 1.458 -1.865) 4.573 12.904 ( 3.807 5.258 10.709) 12.523 12.963 ( 4.348 -2.747 4.889) 7.096 13.101 ( 6.909 -0.600 7.344) 10.101 13.319 ( -2.214 -7.615 -0.117) 7.931 13.387 ( 1.176 -5.943 -0.540) 6.083 13.471 ( 5.559 0.084 -0.506) 5.583 13.556 ( 7.297 3.043 -4.381) 9.039 13.667 ( -3.286 -6.130 -4.226) 8.138 13.814 ( 4.687 -5.748 -4.655) 8.756 14.289 ( -2.807 -1.800 3.120) 4.566 14.331 ( 0.445 -0.121 -0.702) 0.840 14.392 ( -5.528 1.525 -4.086) 7.041 14.439 ( -2.646 -3.440 5.873) 7.302 14.469 ( -4.036 -4.382 0.251) 5.962 14.590 ( -2.476 -5.571 0.062) 6.097 14.764 ( 4.963 -0.662 2.246) 5.488 14.848 ( -2.173 -3.203 -4.184) 5.700 14.937 ( 5.042 3.667 -3.053) 6.942 15.106 ( 5.931 -1.278 -5.975) 8.515 15.408 ( 0.624 4.031 -2.052) 4.566 15.477 ( 2.545 4.632 1.720) 5.558 15.599 ( -4.636 2.202 -1.677) 5.399 15.791 ( 4.876 -5.965 3.120) 8.312 16.983 ( -9.069 0.226 1.921) 9.273 17.029 ( -7.223 -0.034 -0.670) 7.254 17.325 ( 4.876 3.475 -2.539) 6.504 17.491 ( 12.624 -3.000 3.089) 13.338 18.399 ( -3.808 0.776 -6.399) 7.487 18.482 ( 3.325 -2.341 7.178) 8.250 19.167 ( 3.773 -1.052 -0.674) 3.974 19.178 ( 0.691 -1.357 -1.362) 2.043 19.581 ( -1.905 3.818 -3.609) 5.588 19.815 ( 9.004 -5.606 2.060) 10.805 20.487 ( 2.798 2.123 -4.100) 5.399 20.553 ( 3.983 0.589 9.591) 10.402 21.311 ( -4.115 0.459 -4.062) 5.800 21.404 ( 1.446 -3.735 -1.017) 4.132 21.861 ( -6.486 3.967 -1.781) 7.808 21.973 ( 1.469 0.270 3.079) 3.422 22.068 ( -2.313 -3.037 -1.807) 4.223 22.105 ( -2.603 -3.244 2.319) 4.762 22.331 ( -5.659 3.241 1.424) 6.675 22.408 ( -0.444 2.961 -0.626) 3.059 22.437 ( -4.503 0.444 0.187) 4.529 22.505 ( -0.937 0.690 -2.135) 2.431 27.816 ( -2.926 5.463 -7.347) 9.612 27.932 ( 1.664 3.360 10.796) 11.429 28.181 ( -3.263 -4.054 -4.250) 6.719 28.262 ( 1.291 -4.792 4.733) 6.858 28.391 ( -2.185 1.071 -0.744) 2.544 28.476 ( 3.142 -2.011 -3.077) 4.836 28.683 ( -3.654 0.591 -0.357) 3.719 28.743 ( -3.036 0.257 0.721) 3.131 28.798 ( 0.120 1.494 1.204) 1.922 28.823 ( 1.149 0.404 0.507) 1.319 28.951 ( 0.998 1.673 -1.296) 2.339 29.143 ( 8.948 -4.129 6.848) 12.001 29.426 ( -1.451 1.228 -0.085) 1.903 29.490 ( 2.306 0.674 2.874) 3.746 29.703 ( -5.040 -1.789 -3.917) 6.629 29.710 ( -6.141 -1.630 -2.851) 6.964 29.836 ( -5.064 0.091 -3.536) 6.177 29.984 ( 3.626 -3.447 1.347) 5.181 30.079 ( 6.202 1.225 -0.063) 6.322 30.138 ( 4.449 -0.777 0.813) 4.589 30.278 ( -2.889 0.805 -0.530) 3.045 30.313 ( -1.835 0.913 0.860) 2.222 30.584 ( -4.263 12.267 -2.262) 13.182 30.901 ( 9.909 6.869 10.371) 15.904 31.102 ( 2.249 -1.353 1.576) 3.061 31.129 ( 5.523 -0.410 -0.455) 5.557 31.231 ( -15.386 -4.774 -3.916) 16.579 31.419 ( -5.090 -4.978 -1.379) 7.252 31.517 ( 0.371 -1.051 -1.153) 1.603 31.565 ( 3.257 -3.967 -4.125) 6.585 31.663 ( 4.721 3.657 0.718) 6.014 31.754 ( 6.226 1.144 -0.596) 6.358 31.894 ( -2.707 1.936 1.176) 3.530 31.929 ( -5.913 2.066 -2.588) 6.777 31.969 ( 0.692 -2.395 -2.781) 3.735 32.127 ( 2.326 -0.904 6.549) 7.009 32.724 ( -5.972 3.263 -1.460) 6.960 32.915 ( 5.470 7.474 0.300) 9.267 33.055 ( -6.772 -10.064 -1.599) 12.235 33.277 ( 3.785 -5.216 -0.940) 6.512 34.327 ( 0.455 4.035 -0.449) 4.085 34.470 ( 7.052 0.690 2.798) 7.618 ======================= Grid point 95 (50/63) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.689 10.460 3.756) 11.135 1.141 ( -3.645 5.054 -2.193) 6.606 1.296 ( 8.960 9.499 -3.596) 13.544 1.386 ( 2.113 1.317 -3.949) 4.669 1.455 ( 3.494 2.977 -6.588) 8.030 1.691 ( 10.022 7.700 3.413) 13.091 1.781 ( 2.964 9.786 -5.119) 11.435 1.885 ( -1.811 -0.379 1.102) 2.154 1.985 ( 2.552 15.183 -0.276) 15.399 2.058 ( -7.006 0.538 -11.680) 13.631 2.239 ( -1.483 11.947 -9.173) 15.135 2.254 ( 1.296 8.376 4.225) 9.471 2.296 ( 1.376 1.369 1.741) 2.608 2.346 ( -1.017 -4.148 1.634) 4.573 2.391 ( 1.077 1.989 2.048) 3.052 2.470 ( -1.206 14.405 -3.599) 14.897 2.505 ( -0.293 1.716 -4.387) 4.720 2.549 ( 1.220 8.180 1.942) 8.495 2.642 ( -0.852 -2.241 0.588) 2.469 2.692 ( -2.989 3.920 -0.427) 4.948 2.778 ( 2.149 3.458 -0.718) 4.134 2.791 ( 2.686 -5.890 -1.550) 6.657 2.823 ( -2.489 7.887 -4.152) 9.254 2.870 ( 1.257 -0.742 -1.909) 2.403 2.947 ( 2.042 2.143 0.167) 2.965 3.038 ( -1.184 2.946 2.561) 4.080 3.088 ( 4.259 -2.915 -3.050) 5.995 3.121 ( -6.531 1.188 -2.471) 7.083 3.213 ( -1.203 5.893 0.530) 6.038 3.249 ( -9.911 -3.507 -3.274) 11.011 3.296 ( -2.683 -2.233 -1.266) 3.713 3.353 ( 1.411 3.552 1.396) 4.069 3.368 ( 0.525 -0.582 3.151) 3.247 3.408 ( 0.636 0.979 2.197) 2.488 3.481 ( -1.923 6.124 -1.499) 6.591 3.532 ( 1.821 0.820 2.349) 3.084 3.650 ( 6.901 -3.532 -1.880) 7.977 3.742 ( -4.736 4.496 -0.390) 6.542 3.858 ( 2.471 -6.043 6.718) 9.368 3.898 ( 0.313 4.330 6.342) 7.686 3.950 ( 8.531 1.554 6.765) 10.998 4.091 ( 3.528 -3.199 4.129) 6.303 4.119 ( -2.492 -3.697 2.637) 5.180 4.154 ( -8.277 -9.631 3.230) 13.103 4.285 ( 1.947 -3.376 -2.198) 4.474 4.357 ( -2.326 -3.093 -3.879) 5.480 4.421 ( 0.045 -4.083 -1.290) 4.282 4.513 ( -8.593 -1.636 2.627) 9.133 4.528 ( -5.549 3.024 0.579) 6.346 4.635 ( -2.109 0.633 -3.414) 4.063 4.650 ( 5.993 0.812 3.954) 7.225 4.786 ( 2.851 1.201 4.920) 5.812 4.801 ( -4.668 -3.757 1.134) 6.098 4.883 ( -1.810 -5.836 -6.238) 8.732 4.898 ( -4.426 -4.021 -3.114) 6.742 5.066 ( 0.321 -4.153 4.458) 6.101 5.111 ( -1.176 5.017 0.889) 5.229 5.157 ( -0.513 -2.114 -2.694) 3.463 5.282 ( 1.035 0.459 -6.218) 6.320 5.324 ( -3.090 -3.018 3.689) 5.680 5.478 ( 1.637 -6.923 -0.951) 7.177 5.534 ( -4.305 -1.865 -4.991) 6.850 5.624 ( 1.851 -4.129 -2.456) 5.148 5.656 ( -0.116 1.433 5.014) 5.216 5.809 ( 1.541 -2.500 4.627) 5.480 5.937 ( 3.107 -12.971 0.824) 13.363 6.085 ( -0.453 -3.989 1.342) 4.233 6.161 ( 4.855 1.342 -0.665) 5.081 6.200 ( 2.426 -11.063 2.529) 11.605 6.383 ( 0.701 -0.258 9.037) 9.068 6.468 ( 2.321 -2.987 5.291) 6.504 6.555 ( -1.675 -2.418 2.153) 3.645 6.647 ( -3.990 -3.145 -2.048) 5.478 6.792 ( 3.199 -9.850 9.134) 13.809 6.993 ( -3.908 3.304 -2.853) 5.859 7.083 ( -2.541 -2.061 -6.963) 7.693 7.184 ( 1.882 -3.120 -6.850) 7.759 7.314 ( -2.671 -2.883 -2.686) 4.760 7.556 ( 1.063 12.677 -0.744) 12.743 7.648 ( -5.501 1.759 0.537) 5.800 7.701 ( 8.219 0.407 1.776) 8.418 7.802 ( -1.231 -3.585 5.052) 6.316 7.817 ( 4.169 -2.436 0.800) 4.895 8.027 ( 8.059 4.050 -3.829) 9.799 8.272 ( 1.241 -3.096 -8.054) 8.717 8.312 ( 6.074 -3.837 -7.478) 10.370 8.409 ( 4.299 -0.011 3.034) 5.262 8.463 ( -1.581 0.785 -0.872) 1.969 8.669 ( 0.457 -4.076 0.716) 4.163 8.763 ( 6.268 -4.812 4.392) 9.041 8.875 ( -2.483 4.908 -1.219) 5.634 9.051 ( -6.626 4.897 -2.940) 8.748 9.151 ( -4.258 1.441 -1.458) 4.726 9.259 ( 1.403 -3.577 -2.087) 4.373 9.397 ( 3.726 9.243 1.040) 10.020 9.547 ( -0.946 4.893 -7.815) 9.268 9.697 ( -1.708 2.185 -3.938) 4.816 9.715 ( 4.253 2.609 1.262) 5.147 9.861 ( -3.787 4.478 3.947) 7.069 9.959 ( -1.289 0.066 -0.936) 1.594 9.967 ( -3.273 -3.381 -1.821) 5.045 10.030 ( 0.075 -3.082 0.363) 3.104 10.074 ( 2.512 0.694 3.670) 4.501 10.127 ( -0.371 -0.448 3.343) 3.393 10.230 ( -3.698 3.731 4.506) 6.921 10.345 ( -5.319 1.416 6.518) 8.531 10.377 ( -3.283 -0.628 5.471) 6.411 10.515 ( -6.309 -2.515 -1.012) 6.867 10.974 ( -2.141 3.989 -1.807) 4.875 11.069 ( -0.933 2.598 -3.300) 4.303 11.195 ( 1.812 11.656 4.861) 12.758 11.465 ( 3.847 0.780 7.920) 8.839 11.510 ( -0.809 4.067 1.969) 4.590 11.631 ( 4.132 2.807 3.615) 6.166 11.712 ( 3.615 4.043 1.059) 5.526 11.773 ( 1.439 -6.560 -7.144) 9.805 11.869 ( -0.992 1.679 -0.638) 2.052 11.924 ( 2.844 -4.724 2.985) 6.270 12.052 ( -7.408 1.666 -0.552) 7.613 12.124 ( -1.918 2.185 -2.601) 3.901 12.445 ( 0.085 5.315 1.457) 5.511 12.489 ( -10.245 3.898 -4.435) 11.824 12.717 ( 3.178 -0.897 1.232) 3.524 13.036 ( 0.303 -4.768 3.171) 5.734 13.104 ( 3.069 0.532 3.653) 4.801 13.171 ( -2.207 -9.122 -4.759) 10.523 13.286 ( 0.807 0.581 2.096) 2.320 13.347 ( -3.133 -4.950 -5.558) 8.075 13.521 ( 3.294 -1.176 -5.658) 6.652 13.588 ( 5.052 -2.412 -6.268) 8.404 13.654 ( 8.413 3.294 1.042) 9.095 13.824 ( 3.218 -3.206 -2.551) 5.210 14.270 ( -2.795 2.710 2.975) 4.899 14.308 ( -4.741 0.188 4.172) 6.318 14.346 ( -0.582 -1.700 2.172) 2.819 14.417 ( -5.636 -8.480 0.966) 10.228 14.443 ( -1.900 -4.368 2.424) 5.345 14.555 ( 0.030 -3.559 -1.192) 3.753 14.751 ( -1.397 1.704 -5.219) 5.665 14.858 ( 6.437 0.011 -4.110) 7.637 14.970 ( 3.059 3.259 0.718) 4.527 15.112 ( 5.143 0.389 -4.664) 6.953 15.405 ( 1.841 4.808 -1.707) 5.424 15.511 ( 2.602 2.362 -0.328) 3.530 15.606 ( 3.911 6.481 0.112) 7.570 15.854 ( 2.094 -4.308 -1.318) 4.968 16.861 ( -10.079 -0.574 1.304) 10.180 16.916 ( -6.350 -1.981 -1.382) 6.794 17.419 ( 7.772 2.837 1.762) 8.459 17.669 ( 7.651 -6.388 0.182) 9.969 18.254 ( -6.089 6.045 -4.341) 9.616 18.598 ( 1.663 -7.261 3.148) 8.087 19.120 ( -0.530 0.777 -2.469) 2.642 19.270 ( 7.581 -5.851 1.927) 9.768 19.615 ( 7.172 7.750 0.889) 10.597 19.933 ( 6.642 -6.596 -1.745) 9.522 20.545 ( 8.473 5.441 -1.058) 10.125 20.753 ( 2.806 -1.660 13.455) 13.844 21.214 ( -2.517 1.137 -1.826) 3.311 21.360 ( -2.446 -6.345 -4.759) 8.300 21.715 ( -7.129 8.226 -2.828) 11.247 21.915 ( -8.644 -0.315 -2.076) 8.896 22.060 ( 0.848 -2.361 0.062) 2.510 22.139 ( 0.697 -3.781 5.058) 6.353 22.250 ( -6.138 2.874 -0.267) 6.783 22.359 ( -4.640 -0.235 -1.814) 4.988 22.389 ( -1.101 1.544 -0.219) 1.909 22.448 ( -2.661 0.631 -2.151) 3.479 27.708 ( -0.237 6.971 -6.567) 9.580 28.025 ( -2.101 4.714 -2.048) 5.553 28.098 ( -1.692 -7.539 3.580) 8.516 28.300 ( -1.559 -5.577 0.850) 5.852 28.389 ( 0.117 0.238 3.594) 3.603 28.489 ( 2.308 -4.971 -0.274) 5.487 28.633 ( -2.975 -0.133 0.154) 2.982 28.701 ( -3.913 -1.595 2.013) 4.680 28.830 ( 0.898 1.882 2.481) 3.241 28.863 ( 1.526 1.822 3.970) 4.627 29.018 ( 4.203 8.121 2.941) 9.606 29.348 ( 5.279 -5.928 5.703) 9.774 29.429 ( -0.071 1.497 2.119) 2.595 29.502 ( -3.339 -2.854 -5.546) 7.075 29.591 ( -1.435 -0.270 0.160) 1.469 29.623 ( -2.365 -2.366 2.427) 4.133 29.728 ( -2.608 6.424 -4.137) 8.074 29.990 ( -3.024 1.360 -2.845) 4.369 30.158 ( 0.955 2.686 0.367) 2.874 30.180 ( 5.937 1.269 -0.139) 6.073 30.223 ( -3.110 1.416 -0.764) 3.502 30.292 ( -2.126 -0.359 0.804) 2.301 30.578 ( 7.709 4.559 -4.382) 9.971 30.971 ( -9.885 -0.838 -4.016) 10.703 31.105 ( 3.699 -2.995 4.421) 6.496 31.142 ( 0.948 0.636 -0.594) 1.287 31.286 ( 6.698 -5.542 3.416) 9.340 31.308 ( -4.084 -4.125 -2.538) 6.335 31.495 ( -0.353 0.316 -1.429) 1.506 31.526 ( 4.476 -2.188 -7.735) 9.201 31.675 ( -5.030 1.170 -6.294) 8.142 31.771 ( -2.906 -0.322 -2.627) 3.931 31.791 ( 5.694 0.700 -3.502) 6.721 31.920 ( -1.605 5.199 3.650) 6.552 32.051 ( 1.496 -2.149 10.585) 10.904 32.247 ( 1.177 -2.514 9.446) 9.846 32.630 ( -3.719 4.513 -1.759) 6.107 32.902 ( -2.935 -0.625 -4.247) 5.201 33.036 ( 4.477 2.881 0.037) 5.325 33.265 ( -2.534 1.037 -1.438) 3.093 34.361 ( 4.099 2.610 -0.382) 4.874 34.607 ( 4.054 -4.634 4.027) 7.357 ======================= Grid point 96 (51/63) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -9.389 9.078 4.762) 13.902 1.161 ( 1.457 9.625 4.540) 10.741 1.291 ( -0.525 10.933 -3.218) 11.409 1.491 ( 8.470 8.404 2.356) 12.162 1.546 ( 2.511 -1.752 -0.039) 3.062 1.654 ( 5.949 6.708 -10.584) 13.871 1.777 ( 4.628 9.022 -10.003) 14.243 1.814 ( -5.259 0.279 -8.462) 9.967 1.973 ( 4.394 3.867 12.613) 13.905 2.072 ( 3.797 3.256 2.813) 5.738 2.166 ( 6.125 9.596 -8.001) 13.915 2.290 ( 0.251 8.024 1.122) 8.106 2.326 ( -1.069 8.193 -1.967) 8.494 2.347 ( -1.928 1.783 -0.280) 2.641 2.374 ( -1.105 -0.950 -0.507) 1.543 2.440 ( 0.422 -0.757 -4.556) 4.638 2.517 ( -0.421 -5.039 1.325) 5.227 2.579 ( 0.095 9.135 0.604) 9.156 2.653 ( 1.463 -4.467 1.199) 4.851 2.690 ( 1.933 4.814 1.596) 5.428 2.744 ( -0.796 6.325 -2.222) 6.751 2.777 ( -2.150 9.011 1.872) 9.451 2.821 ( 2.243 0.592 -1.172) 2.599 2.842 ( -3.350 3.334 -0.691) 4.777 2.944 ( -1.791 2.779 0.149) 3.310 2.993 ( -0.426 -1.779 -3.090) 3.591 3.054 ( -0.235 1.036 1.372) 1.735 3.109 ( 2.685 0.288 1.878) 3.289 3.137 ( -4.871 2.234 -0.383) 5.372 3.227 ( -0.045 0.520 -2.549) 2.602 3.249 ( -1.985 4.654 -0.879) 5.135 3.339 ( 0.735 0.773 -2.756) 2.956 3.408 ( -0.190 0.878 2.431) 2.591 3.431 ( 2.448 2.950 -1.941) 4.297 3.507 ( -4.192 1.075 -0.378) 4.344 3.537 ( -0.644 -0.424 9.757) 9.788 3.660 ( 1.166 0.113 -1.912) 2.243 3.811 ( 12.474 3.138 1.364) 12.935 3.914 ( 1.831 -4.857 -4.486) 6.861 3.960 ( -0.893 2.449 -0.085) 2.609 4.008 ( -9.103 0.268 -1.269) 9.194 4.079 ( -5.851 -1.311 -0.895) 6.062 4.115 ( 4.153 -8.750 -3.374) 10.257 4.188 ( -2.157 -0.071 4.528) 5.016 4.265 ( 3.889 -3.658 0.964) 5.426 4.312 ( -0.160 -2.148 -3.355) 3.987 4.359 ( -4.295 -1.894 -1.105) 4.822 4.450 ( -2.107 0.996 0.917) 2.504 4.472 ( -0.676 -3.441 1.313) 3.744 4.588 ( -5.385 -2.121 2.622) 6.353 4.668 ( -5.463 3.460 -0.966) 6.538 4.724 ( -1.252 4.399 1.043) 4.691 4.781 ( -1.964 -1.484 5.763) 6.267 4.852 ( 0.236 -9.175 1.249) 9.263 4.964 ( 5.573 -2.872 -1.027) 6.353 5.058 ( -0.507 3.558 -0.709) 3.664 5.134 ( -1.442 -4.808 4.647) 6.840 5.209 ( 1.487 0.131 2.237) 2.690 5.230 ( -2.568 -2.811 3.229) 4.992 5.344 ( -0.644 -0.708 3.386) 3.518 5.462 ( 1.927 -7.162 -3.988) 8.421 5.497 ( 2.321 -5.909 0.128) 6.350 5.632 ( -0.579 0.608 1.199) 1.463 5.767 ( 3.396 -4.016 5.428) 7.558 5.851 ( -1.518 -0.395 4.115) 4.404 5.963 ( 1.615 -7.374 0.412) 7.560 6.123 ( -2.550 -9.955 -3.378) 10.817 6.149 ( 1.827 -11.633 3.912) 12.409 6.230 ( 1.286 -6.263 -0.294) 6.400 6.323 ( -5.660 -5.425 -10.127) 12.808 6.516 ( -2.993 -0.120 5.377) 6.154 6.639 ( 1.963 2.102 12.100) 12.437 6.761 ( -3.004 -2.971 -11.720) 12.458 6.803 ( 7.906 2.871 14.880) 17.092 6.909 ( -3.917 -5.338 2.540) 7.092 7.036 ( -3.645 0.698 -13.517) 14.017 7.166 ( 0.994 -2.278 0.995) 2.678 7.272 ( 4.507 -2.641 6.148) 8.067 7.425 ( -8.026 4.940 -7.580) 12.094 7.542 ( -3.435 2.906 -2.400) 5.100 7.710 ( 4.567 -0.615 -4.053) 6.137 7.874 ( 6.392 0.304 -5.290) 8.303 7.910 ( 1.782 -0.283 -4.678) 5.014 8.092 ( -2.174 4.351 -2.936) 5.681 8.227 ( 1.541 -12.732 -4.305) 13.528 8.340 ( 12.238 -2.541 -3.661) 13.024 8.464 ( 3.193 -0.460 1.708) 3.650 8.542 ( 3.776 -3.283 6.787) 8.432 8.655 ( -8.168 5.343 1.607) 9.892 8.814 ( 3.948 1.806 -2.569) 5.045 8.858 ( -7.661 0.562 -0.230) 7.685 8.949 ( 0.332 -0.632 2.179) 2.293 9.088 ( 0.747 5.733 -1.255) 5.916 9.321 ( 2.467 2.545 -4.415) 5.662 9.355 ( 1.567 10.843 -2.385) 11.213 9.476 ( 0.312 3.333 -1.557) 3.692 9.661 ( 0.706 0.170 -0.417) 0.837 9.781 ( -0.217 3.587 -0.935) 3.713 9.828 ( -3.016 -5.276 -2.448) 6.552 9.923 ( 1.806 1.389 3.551) 4.219 9.963 ( -2.234 3.978 1.208) 4.720 9.999 ( -0.370 0.530 1.531) 1.662 10.125 ( -3.125 -4.621 0.863) 5.645 10.155 ( 0.976 -1.568 0.930) 2.068 10.247 ( -0.613 0.572 5.796) 5.856 10.328 ( -8.742 0.219 1.784) 8.924 10.393 ( -2.927 0.233 3.353) 4.457 10.437 ( -2.841 -1.224 2.713) 4.114 10.932 ( -0.191 6.241 -1.840) 6.510 11.076 ( 3.025 2.631 2.898) 4.947 11.308 ( 4.081 5.203 5.417) 8.548 11.493 ( -6.769 -2.383 -0.912) 7.234 11.509 ( -1.014 5.138 0.928) 5.319 11.656 ( -0.246 2.485 -0.854) 2.639 11.660 ( -0.659 0.592 -1.744) 1.956 11.847 ( -2.082 0.441 -0.968) 2.338 11.856 ( 3.137 2.654 1.131) 4.262 11.936 ( -1.474 2.040 7.180) 7.608 12.081 ( 0.313 6.074 -3.957) 7.256 12.146 ( 10.745 -0.739 4.468) 11.660 12.335 ( -2.681 -0.641 -0.237) 2.767 12.468 ( -1.893 4.560 1.395) 5.130 12.733 ( -4.484 -2.852 -2.659) 5.942 12.943 ( -4.380 -8.707 -8.570) 12.978 13.036 ( -3.889 0.779 -3.872) 5.543 13.166 ( 3.962 -4.860 -0.147) 6.272 13.265 ( -2.478 1.015 -1.505) 3.072 13.334 ( 1.223 -0.293 0.224) 1.277 13.503 ( 1.458 -4.740 -4.493) 6.691 13.538 ( 3.485 -3.759 -10.111) 11.337 13.805 ( 6.479 1.790 3.546) 7.600 13.865 ( 4.221 1.191 0.146) 4.388 14.276 ( -6.969 -2.355 4.759) 8.761 14.284 ( -3.335 -2.911 0.501) 4.455 14.357 ( 0.171 -1.407 3.443) 3.723 14.435 ( 1.872 -0.689 5.434) 5.788 14.463 ( -1.664 -3.526 6.041) 7.190 14.545 ( 1.416 -3.104 -0.662) 3.476 14.686 ( 0.693 3.386 -4.897) 5.994 14.875 ( 5.546 2.088 -5.916) 8.373 15.054 ( 1.005 0.018 5.917) 6.002 15.149 ( 4.772 0.358 -2.216) 5.274 15.440 ( 3.646 7.112 0.829) 8.035 15.545 ( 2.344 2.166 -0.632) 3.253 15.653 ( 4.453 5.290 -3.590) 7.791 15.825 ( -1.166 -2.634 -4.689) 5.503 16.735 ( -7.255 -0.965 0.282) 7.324 16.801 ( -5.097 -3.126 -3.393) 6.876 17.544 ( 3.890 0.933 2.583) 4.762 17.725 ( 2.711 -4.490 -2.990) 6.038 18.161 ( -1.428 4.525 0.412) 4.762 18.553 ( -6.008 -10.058 -4.307) 12.483 19.198 ( 8.503 2.878 5.422) 10.487 19.425 ( 5.939 -7.113 5.611) 10.833 19.741 ( 5.914 6.334 1.668) 8.825 19.957 ( 1.875 -3.558 -5.663) 6.946 20.676 ( 9.615 4.007 -0.725) 10.442 20.873 ( -6.496 -3.123 7.635) 10.499 21.226 ( 1.386 1.269 4.953) 5.298 21.298 ( 2.855 -1.581 -0.028) 3.263 21.618 ( -2.733 4.810 -3.060) 6.322 21.780 ( -5.973 -2.173 0.175) 6.358 22.031 ( -3.916 2.357 -1.928) 4.960 22.168 ( 0.580 0.628 -2.018) 2.191 22.183 ( -4.647 -2.413 2.613) 5.852 22.250 ( -3.478 -1.201 -5.172) 6.348 22.379 ( -0.312 0.745 0.354) 0.882 22.400 ( -1.319 0.558 -0.516) 1.522 27.664 ( 2.648 7.119 -3.677) 8.438 27.890 ( -6.044 4.014 -5.894) 9.348 28.152 ( 0.720 -9.589 3.060) 10.091 28.257 ( -3.166 -7.523 -1.029) 8.227 28.450 ( 1.747 1.007 3.658) 4.177 28.548 ( 1.382 -1.987 3.352) 4.135 28.603 ( -0.471 -1.616 0.355) 1.720 28.680 ( -2.416 -2.073 2.224) 3.883 28.866 ( 0.847 4.879 1.941) 5.319 28.973 ( 2.466 -0.125 8.627) 8.974 29.083 ( -0.991 9.348 1.576) 9.532 29.281 ( -3.410 -2.999 -8.544) 9.676 29.410 ( -3.347 0.901 -0.594) 3.516 29.522 ( 3.874 2.015 5.173) 6.769 29.574 ( -3.981 0.017 -2.561) 4.734 29.659 ( 3.023 1.398 4.624) 5.699 29.754 ( 3.617 1.410 4.427) 5.889 29.874 ( -4.200 5.168 -4.718) 8.161 30.168 ( -1.738 1.586 -0.674) 2.447 30.187 ( 0.728 -1.245 -0.249) 1.464 30.258 ( 3.528 -1.170 -1.241) 3.918 30.282 ( 1.406 -2.198 1.538) 3.029 30.675 ( 10.002 0.998 -2.114) 10.272 30.832 ( -4.748 0.421 -1.572) 5.019 31.055 ( -3.713 -2.614 -7.642) 8.889 31.133 ( -3.217 -0.822 -2.041) 3.897 31.296 ( 0.290 -1.523 -0.909) 1.798 31.317 ( 0.687 -1.254 0.998) 1.744 31.454 ( 3.119 -1.386 -7.761) 8.478 31.480 ( -4.285 -2.042 -6.535) 8.077 31.612 ( 4.003 0.309 1.269) 4.211 31.750 ( 0.687 -2.865 2.393) 3.796 31.800 ( -0.251 0.249 -2.173) 2.202 31.910 ( -2.521 -0.243 0.187) 2.539 32.245 ( 2.056 1.859 15.407) 15.655 32.376 ( 1.320 -2.001 8.621) 8.948 32.578 ( -1.388 5.223 -0.924) 5.482 32.806 ( -1.159 -0.552 -6.656) 6.778 33.107 ( 4.618 4.920 -0.176) 6.750 33.200 ( -3.719 3.254 -0.568) 4.974 34.428 ( 4.733 0.713 0.561) 4.819 34.644 ( -2.324 -6.231 -0.023) 6.651 ======================= Grid point 97 (52/63) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -1.867 7.697 12.036) 14.408 1.160 ( -1.721 2.232 -4.774) 5.544 1.284 ( 1.072 6.608 1.176) 6.797 1.395 ( 0.256 7.825 -12.643) 14.871 1.582 ( -2.254 13.223 -2.071) 13.573 1.693 ( -3.232 10.270 -4.970) 11.858 1.757 ( 8.316 3.406 4.167) 9.906 1.855 ( 5.798 8.994 2.255) 10.936 2.114 ( -0.142 -1.217 4.800) 4.954 2.134 ( -1.689 3.555 8.815) 9.654 2.165 ( 1.105 2.146 -3.257) 4.054 2.224 ( -9.156 17.847 1.779) 20.138 2.284 ( 3.298 8.674 -7.894) 12.183 2.304 ( -2.122 0.774 -3.778) 4.402 2.373 ( 0.508 -1.365 0.405) 1.512 2.435 ( 4.138 -4.895 -3.798) 7.451 2.544 ( 1.589 -0.694 1.433) 2.249 2.580 ( 1.408 -2.312 -1.130) 2.933 2.645 ( -2.883 -0.340 1.062) 3.091 2.652 ( 0.393 2.614 0.246) 2.655 2.736 ( -2.228 8.317 2.484) 8.962 2.778 ( -0.036 7.403 -1.418) 7.537 2.859 ( 3.851 1.433 4.678) 6.226 2.892 ( -5.024 2.545 2.127) 6.020 2.945 ( 3.206 3.425 3.068) 5.605 2.958 ( -1.349 1.251 0.098) 1.843 3.046 ( 0.432 -0.069 -2.277) 2.318 3.069 ( -0.808 -1.504 -3.597) 3.982 3.163 ( -3.661 4.806 -1.565) 6.241 3.186 ( 3.773 5.022 -1.646) 6.493 3.291 ( 1.375 6.891 0.057) 7.027 3.315 ( 2.410 -0.110 0.065) 2.414 3.400 ( -2.759 0.392 -0.783) 2.894 3.441 ( 3.795 3.132 -4.080) 6.392 3.480 ( -0.877 -4.698 2.232) 5.275 3.541 ( -2.264 -2.644 -0.459) 3.511 3.717 ( 0.566 0.613 1.791) 1.976 3.768 ( -6.577 -1.022 -0.496) 6.674 3.801 ( 0.342 -5.868 -5.230) 7.868 3.908 ( -1.383 -1.243 -6.706) 6.959 4.039 ( 3.195 -0.524 3.273) 4.604 4.070 ( 3.014 -1.869 0.996) 3.684 4.133 ( -1.179 -2.207 0.869) 2.649 4.166 ( -3.406 2.223 -4.429) 6.013 4.235 ( -2.148 -2.821 -0.636) 3.603 4.275 ( 3.709 -1.954 -3.866) 5.703 4.369 ( -0.149 -4.380 2.946) 5.281 4.407 ( -2.857 1.525 -0.026) 3.238 4.507 ( -3.903 -3.396 1.411) 5.363 4.534 ( 6.471 -1.954 -0.788) 6.806 4.750 ( 3.243 4.940 15.869) 16.933 4.768 ( 0.593 4.842 5.945) 7.690 4.838 ( 0.664 7.553 1.616) 7.752 4.887 ( -1.616 -10.560 -0.291) 10.687 4.970 ( 0.659 -7.874 -1.689) 8.080 5.038 ( -0.222 -2.070 -0.306) 2.104 5.123 ( -6.044 -2.834 -1.678) 6.883 5.171 ( 1.434 0.049 -3.238) 3.542 5.327 ( 0.437 -1.705 7.609) 7.809 5.364 ( -2.245 3.802 6.835) 8.136 5.453 ( 3.286 -4.587 -1.110) 5.750 5.571 ( 1.875 0.291 -4.669) 5.040 5.646 ( 3.944 -2.167 3.201) 5.523 5.768 ( -2.730 -1.864 -5.256) 6.209 5.887 ( -3.458 -3.607 4.137) 6.487 5.951 ( 0.224 -7.450 -1.072) 7.531 6.140 ( -2.482 -10.144 -0.018) 10.443 6.153 ( 3.993 -10.599 2.225) 11.543 6.249 ( -0.469 -5.653 2.635) 6.254 6.264 ( 2.458 -6.249 2.242) 7.079 6.454 ( -1.535 0.117 -13.398) 13.486 6.538 ( -1.056 -2.420 -9.343) 9.709 6.856 ( 3.508 -0.611 14.568) 14.996 6.886 ( -2.558 -4.012 5.944) 7.614 6.955 ( 2.768 -6.798 2.186) 7.658 7.041 ( -0.308 -7.560 3.789) 8.462 7.111 ( -0.568 2.097 -4.926) 5.384 7.165 ( -4.729 -0.626 -10.302) 11.353 7.460 ( 3.913 1.037 7.472) 8.498 7.596 ( 4.289 7.574 6.354) 10.776 7.688 ( -2.314 -3.479 -8.405) 9.386 7.778 ( -4.740 4.766 -8.429) 10.781 7.901 ( 7.669 0.734 -3.724) 8.557 7.950 ( -6.635 -0.465 -5.880) 8.878 8.271 ( 3.081 -7.757 2.417) 8.690 8.332 ( -3.084 -5.146 -3.878) 7.144 8.505 ( -7.308 0.607 6.465) 9.776 8.620 ( 2.504 1.424 -0.662) 2.956 8.684 ( 3.564 1.364 2.992) 4.849 8.765 ( -1.896 5.420 -7.774) 9.665 8.838 ( 2.591 4.855 4.588) 7.164 8.907 ( -1.532 0.080 -1.997) 2.518 9.152 ( 1.584 4.397 3.998) 6.150 9.240 ( -0.733 7.822 -4.779) 9.196 9.446 ( 5.653 1.638 1.281) 6.023 9.478 ( -1.364 1.515 -1.066) 2.300 9.677 ( -0.388 -1.058 0.284) 1.162 9.696 ( -3.941 -1.739 -2.977) 5.236 9.819 ( 2.102 4.054 2.356) 5.139 9.889 ( -1.587 4.345 -4.312) 6.324 10.013 ( 1.690 0.731 6.939) 7.179 10.073 ( -2.504 -2.619 0.016) 3.623 10.107 ( 5.295 -0.315 3.338) 6.268 10.176 ( -4.216 -1.023 -2.201) 4.864 10.221 ( 2.907 0.302 0.519) 2.968 10.233 ( -5.334 -0.937 -0.575) 5.447 10.413 ( 0.590 -0.945 3.695) 3.859 10.438 ( -0.256 -1.171 0.782) 1.431 10.965 ( 1.582 5.662 5.490) 8.044 11.111 ( -0.662 1.221 -6.687) 6.830 11.382 ( -0.426 -1.031 1.138) 1.594 11.393 ( 0.210 -0.524 -0.127) 0.579 11.571 ( 2.268 7.349 5.056) 9.204 11.616 ( -0.398 3.196 -1.587) 3.590 11.663 ( -1.293 4.109 3.448) 5.517 11.768 ( -2.016 0.706 -5.204) 5.625 11.860 ( -4.237 6.800 5.283) 9.597 11.965 ( 1.546 7.805 -2.416) 8.315 12.207 ( 9.589 -4.369 6.034) 12.143 12.275 ( 0.186 0.605 -1.788) 1.897 12.353 ( -2.201 -1.633 2.928) 4.011 12.425 ( -0.653 -2.974 -4.447) 5.390 12.626 ( 0.718 0.171 2.237) 2.356 12.750 ( -5.487 -0.964 -9.183) 10.741 13.032 ( -1.058 0.744 5.376) 5.529 13.157 ( -5.569 1.516 -2.600) 6.330 13.231 ( 1.746 -3.644 -0.709) 4.103 13.330 ( 3.702 -1.786 -4.619) 6.182 13.471 ( -0.740 -6.349 -1.603) 6.589 13.497 ( 3.588 -7.495 -6.218) 10.379 13.900 ( 0.861 2.856 2.035) 3.611 13.920 ( 1.547 2.876 -0.215) 3.272 14.225 ( -4.728 -3.737 2.743) 6.621 14.262 ( 2.438 -4.959 -0.980) 5.612 14.392 ( 0.417 1.460 2.509) 2.932 14.448 ( -0.308 0.901 -2.802) 2.960 14.503 ( -3.084 -1.914 7.383) 8.227 14.629 ( 1.843 -4.138 -1.775) 4.866 14.684 ( 1.266 3.030 6.963) 7.699 14.871 ( 3.402 -1.117 -7.743) 8.531 15.111 ( -1.980 1.554 4.565) 5.213 15.186 ( 3.744 0.603 -2.848) 4.743 15.510 ( 1.721 5.894 2.452) 6.611 15.559 ( 0.233 2.018 -1.586) 2.578 15.659 ( 1.725 3.918 -0.816) 4.358 15.713 ( -5.433 -0.137 -5.236) 7.547 16.678 ( -1.265 -1.532 1.050) 2.247 16.717 ( 0.361 -2.983 -3.111) 4.325 17.597 ( -0.232 1.642 3.504) 3.876 17.681 ( -1.046 -0.452 -5.083) 5.209 18.248 ( 6.410 -3.289 6.297) 9.569 18.382 ( -6.178 -7.604 -7.335) 12.239 19.420 ( 6.997 -0.661 8.309) 10.882 19.509 ( -2.584 -4.801 0.248) 5.458 19.790 ( -2.344 4.313 2.155) 5.361 19.878 ( 0.770 0.120 -6.940) 6.983 20.775 ( -11.115 -0.674 3.362) 11.632 20.799 ( 6.068 -1.713 0.162) 6.307 21.330 ( 2.644 1.672 6.752) 7.441 21.414 ( 4.611 -2.260 0.607) 5.171 21.595 ( 6.176 4.886 -0.451) 7.888 21.668 ( -7.422 1.509 -5.474) 9.345 22.007 ( 2.003 -0.268 3.820) 4.322 22.082 ( -5.981 -2.589 -1.904) 6.790 22.166 ( -2.341 1.231 -2.375) 3.555 22.184 ( 3.003 0.856 -1.804) 3.606 22.386 ( -0.523 0.091 -0.061) 0.535 22.392 ( 1.889 -0.236 -0.453) 1.957 27.700 ( 4.886 6.145 0.073) 7.851 27.737 ( -6.026 5.646 -4.062) 9.202 28.187 ( -1.018 -10.633 1.495) 10.786 28.207 ( -0.028 -10.370 -0.785) 10.400 28.518 ( 1.976 2.017 2.452) 3.740 28.548 ( -1.100 2.352 -0.571) 2.659 28.658 ( 2.553 -3.108 2.368) 4.667 28.675 ( -0.991 -2.828 0.904) 3.130 28.913 ( 1.075 7.479 4.222) 8.655 29.006 ( -4.360 8.158 -4.378) 10.234 29.109 ( 2.655 -1.959 6.728) 7.493 29.188 ( -2.097 -1.795 -3.029) 4.098 29.390 ( -0.062 2.524 3.037) 3.950 29.469 ( -3.087 2.835 -3.841) 5.685 29.657 ( 3.802 2.716 5.553) 7.257 29.754 ( 1.288 3.855 1.431) 4.309 29.774 ( -0.288 1.099 -2.603) 2.840 29.816 ( 0.833 -0.311 -1.429) 1.684 30.148 ( 0.321 1.148 -0.085) 1.195 30.162 ( -1.181 0.644 -1.340) 1.899 30.297 ( -2.623 -4.979 1.599) 5.851 30.321 ( 3.537 -4.421 -0.659) 5.700 30.786 ( -1.354 1.184 2.782) 3.312 30.816 ( 4.598 0.507 2.125) 5.090 30.914 ( -6.363 0.122 -3.900) 7.464 30.986 ( -0.305 -0.640 -8.349) 8.379 31.311 ( -4.551 -0.469 0.394) 4.592 31.328 ( 3.343 -0.395 1.398) 3.645 31.376 ( -0.572 -1.884 -2.668) 3.315 31.416 ( 4.051 -2.275 -7.725) 9.015 31.692 ( 3.080 1.134 2.215) 3.959 31.741 ( -4.071 0.311 -1.968) 4.532 31.808 ( 0.624 -1.242 3.777) 4.025 31.874 ( -0.055 -2.859 -1.853) 3.408 32.430 ( 0.014 0.722 12.104) 12.126 32.476 ( 0.395 -0.807 5.450) 5.523 32.563 ( 0.184 4.558 0.489) 4.587 32.706 ( 0.634 1.340 -9.970) 10.080 33.122 ( -5.327 3.554 3.089) 7.110 33.189 ( 5.488 2.334 -3.162) 6.750 34.513 ( 3.966 -2.349 2.442) 5.216 34.563 ( -4.684 -3.881 -2.709) 6.658 ======================= Grid point 98 (53/63) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -1.339 5.704 -5.273) 7.882 1.155 ( 4.968 7.416 6.833) 11.241 1.284 ( -7.961 15.398 -1.410) 17.391 1.310 ( 3.814 15.021 4.872) 16.245 1.504 ( -8.740 4.748 0.323) 9.952 1.601 ( -4.690 15.201 6.744) 17.278 1.714 ( -15.079 0.301 -7.439) 16.816 1.883 ( 5.904 5.152 -10.693) 13.257 2.016 ( -9.949 22.217 1.534) 24.391 2.126 ( -1.614 3.870 -1.617) 4.494 2.188 ( 0.510 3.447 3.445) 4.900 2.236 ( 3.412 -1.909 1.597) 4.224 2.303 ( 0.590 6.841 3.709) 7.804 2.341 ( 0.975 -7.546 -1.805) 7.820 2.402 ( 3.084 3.472 -2.458) 5.254 2.440 ( 2.883 0.647 -3.618) 4.672 2.532 ( -0.519 -1.413 0.807) 1.707 2.568 ( 1.654 -9.167 2.773) 9.719 2.625 ( -1.675 6.705 -2.047) 7.208 2.694 ( 2.110 -0.370 -0.269) 2.159 2.727 ( -3.041 1.499 4.435) 5.582 2.756 ( -1.138 5.962 -0.181) 6.072 2.838 ( -0.132 -0.419 0.911) 1.012 2.875 ( -3.770 1.184 -0.309) 3.963 2.964 ( -2.566 5.663 -4.962) 7.955 2.979 ( -1.450 0.580 -1.334) 2.054 3.052 ( 5.153 4.363 4.926) 8.358 3.092 ( 2.312 3.148 2.112) 4.440 3.134 ( 4.242 2.867 -1.320) 5.288 3.201 ( 0.178 3.265 -3.030) 4.458 3.259 ( -2.088 5.134 -0.640) 5.580 3.307 ( -1.256 -0.229 -0.674) 1.443 3.317 ( -2.118 3.877 3.684) 5.752 3.469 ( -0.343 -0.677 -0.954) 1.219 3.505 ( -0.289 -3.367 0.572) 3.427 3.585 ( 5.384 -3.172 4.199) 7.529 3.728 ( -4.298 -0.475 -5.332) 6.865 3.780 ( 1.983 0.739 4.482) 4.956 3.801 ( -3.077 -1.141 -0.265) 3.292 3.887 ( 9.011 -4.215 3.361) 10.500 4.025 ( -3.798 0.382 -0.765) 3.893 4.037 ( -1.918 -2.564 -1.263) 3.442 4.093 ( -0.948 -2.069 5.642) 6.083 4.181 ( 0.567 -1.116 -1.069) 1.646 4.209 ( 1.528 -1.570 1.665) 2.751 4.278 ( -1.957 -7.274 3.135) 8.159 4.376 ( 1.294 -1.126 -1.330) 2.170 4.478 ( 1.512 1.375 -2.445) 3.186 4.513 ( 7.006 4.629 0.309) 8.403 4.634 ( 8.631 -6.637 -1.330) 10.969 4.722 ( -7.688 1.347 -4.198) 8.863 4.771 ( -3.003 4.639 -1.610) 5.756 4.850 ( -0.451 3.342 1.284) 3.609 4.928 ( 3.641 -4.162 -3.846) 6.736 4.974 ( 0.047 -2.157 -2.170) 3.060 5.033 ( 1.691 -1.180 -0.104) 2.064 5.140 ( 4.491 -0.482 3.469) 5.696 5.239 ( 5.878 -3.695 2.639) 7.427 5.346 ( -2.047 -2.887 -3.391) 4.901 5.385 ( -1.923 -7.628 3.218) 8.499 5.462 ( 0.745 5.123 -10.253) 11.486 5.553 ( 1.426 1.497 7.905) 8.171 5.592 ( -5.150 -4.061 -7.299) 9.812 5.740 ( 0.626 -1.440 4.150) 4.437 5.901 ( 0.152 -1.655 2.264) 2.809 5.979 ( 0.478 -9.560 -0.274) 9.576 6.098 ( -1.372 -9.170 -1.982) 9.481 6.226 ( -2.184 -4.930 -4.037) 6.736 6.240 ( 1.693 -15.741 -3.425) 16.198 6.295 ( 4.054 -2.158 3.012) 5.492 6.396 ( -0.976 -1.045 3.457) 3.741 6.497 ( 3.591 -2.479 8.407) 9.472 6.871 ( -4.932 -3.182 -7.985) 9.910 6.968 ( -3.111 -5.539 -4.594) 7.839 6.977 ( 4.284 -3.457 -2.029) 5.867 7.041 ( 3.095 -3.658 -1.572) 5.043 7.094 ( 2.157 2.145 7.501) 8.095 7.231 ( 9.118 -4.350 4.311) 10.984 7.433 ( -4.195 0.873 -4.513) 6.223 7.541 ( -6.951 4.586 -5.096) 9.763 7.672 ( -1.628 0.420 0.333) 1.714 7.716 ( -5.742 2.775 7.277) 9.676 7.806 ( 4.139 4.849 2.928) 7.015 8.057 ( 7.314 -1.592 0.943) 7.545 8.205 ( -6.749 -7.310 -1.219) 10.023 8.280 ( -14.378 -0.245 2.957) 14.681 8.460 ( -2.218 0.417 3.251) 3.957 8.624 ( -0.888 -6.628 -0.032) 6.687 8.695 ( 5.233 7.601 -4.284) 10.174 8.756 ( 0.713 4.936 3.194) 5.923 8.873 ( 4.103 3.091 -1.061) 5.246 8.967 ( 2.486 -0.024 -1.205) 2.763 9.100 ( -6.812 3.684 -0.985) 7.806 9.235 ( 0.825 6.247 1.708) 6.529 9.372 ( -5.553 3.918 -4.162) 7.969 9.503 ( 1.090 1.389 -1.289) 2.186 9.642 ( -1.358 0.741 2.166) 2.662 9.715 ( 0.909 -2.838 3.870) 4.884 9.825 ( -0.500 1.853 -2.787) 3.384 9.916 ( 4.911 4.659 3.153) 7.468 9.993 ( -5.205 1.591 -1.910) 5.768 10.077 ( -1.160 1.740 -3.622) 4.183 10.113 ( 1.895 -4.322 1.659) 5.002 10.173 ( -0.250 -2.190 -0.666) 2.303 10.274 ( 9.562 0.802 5.575) 11.097 10.322 ( 5.705 -1.826 -1.302) 6.130 10.443 ( 2.068 0.593 -1.052) 2.395 10.477 ( 4.421 -2.335 -0.202) 5.003 10.965 ( -3.922 5.174 -5.638) 8.598 11.060 ( -0.444 2.017 5.607) 5.976 11.377 ( -0.413 0.426 -2.409) 2.481 11.436 ( 3.183 -0.809 2.173) 3.938 11.549 ( -3.253 5.168 -0.695) 6.146 11.619 ( 0.467 3.252 -2.481) 4.117 11.710 ( 2.674 2.927 0.831) 4.051 11.772 ( 3.035 -0.311 3.832) 4.898 11.860 ( -2.463 6.221 4.231) 7.916 12.027 ( 5.462 11.089 -1.042) 12.405 12.091 ( -9.079 -1.918 -5.876) 10.984 12.226 ( -7.420 0.845 -5.439) 9.238 12.342 ( -0.993 -2.647 0.444) 2.861 12.473 ( 5.208 1.065 0.670) 5.358 12.671 ( 5.699 -4.456 0.345) 7.242 12.777 ( 5.029 -3.659 7.834) 10.003 13.018 ( -5.266 4.576 1.267) 7.091 13.161 ( 1.639 0.748 7.907) 8.109 13.194 ( -0.712 0.017 -3.222) 3.300 13.366 ( 5.039 -5.265 -2.524) 7.712 13.437 ( -2.459 -4.517 -0.327) 5.154 13.477 ( 0.555 -8.181 -3.103) 8.767 13.849 ( -7.332 2.278 -1.411) 7.807 13.893 ( -2.724 -0.728 -2.283) 3.628 14.240 ( 1.700 -2.015 3.769) 4.599 14.329 ( 6.503 -3.389 -0.816) 7.379 14.410 ( 0.330 1.532 -2.979) 3.366 14.434 ( 0.894 1.168 3.032) 3.370 14.551 ( -2.268 -1.506 6.301) 6.864 14.599 ( 2.317 -3.106 -5.572) 6.787 14.736 ( -3.863 -0.518 -6.047) 7.194 14.768 ( -2.652 -0.203 -2.230) 3.471 15.099 ( -5.002 1.822 2.064) 5.709 15.174 ( 0.415 -0.796 -5.457) 5.530 15.472 ( -6.022 5.565 -2.338) 8.526 15.541 ( -1.250 3.145 0.126) 3.387 15.585 ( -5.854 4.006 1.648) 7.282 15.724 ( 1.310 -1.121 5.395) 5.664 16.720 ( 4.672 -2.035 2.062) 5.497 16.761 ( 7.423 -2.015 -0.208) 7.694 17.594 ( -3.437 -0.158 -2.171) 4.068 17.647 ( -1.098 0.042 3.961) 4.110 18.229 ( -2.427 -1.785 -6.004) 6.718 18.448 ( 9.062 -8.034 6.123) 13.570 19.330 ( -12.063 1.022 -7.339) 14.157 19.485 ( -5.887 -4.846 0.237) 7.629 19.779 ( -3.230 1.736 -0.384) 3.687 19.864 ( 1.463 0.374 2.167) 2.641 20.633 ( -11.766 4.358 3.517) 13.031 20.906 ( 5.180 -6.177 3.297) 8.710 21.352 ( -4.797 0.090 -4.540) 6.606 21.384 ( -1.604 -0.929 -9.460) 9.640 21.556 ( 3.042 6.391 2.017) 7.360 21.754 ( 7.939 -2.327 3.102) 8.835 22.033 ( 2.866 2.881 -1.782) 4.437 22.108 ( -2.611 1.563 2.558) 3.975 22.140 ( 4.513 -1.367 6.060) 7.679 22.223 ( 4.313 -1.693 -1.610) 4.905 22.384 ( 0.880 0.819 -0.250) 1.228 22.416 ( 2.826 -0.418 -1.619) 3.284 27.627 ( -4.779 7.279 -0.355) 8.715 27.805 ( 6.169 4.661 3.082) 8.324 28.159 ( -2.835 -11.823 1.334) 12.231 28.247 ( 3.586 -10.413 0.354) 11.019 28.509 ( -0.698 2.483 -2.216) 3.400 28.581 ( 3.217 2.113 0.370) 3.867 28.642 ( -1.538 -2.762 -2.869) 4.269 28.710 ( 2.496 -2.592 -0.533) 3.638 28.908 ( -2.915 7.050 -2.585) 8.055 29.015 ( 2.695 7.687 7.722) 11.224 29.103 ( -3.410 -1.551 -3.572) 5.176 29.193 ( 1.056 -0.748 1.638) 2.087 29.400 ( -0.437 4.526 0.458) 4.570 29.489 ( 3.967 1.585 5.014) 6.588 29.651 ( -3.068 3.324 -7.208) 8.510 29.758 ( -1.888 -0.146 -4.645) 5.016 29.777 ( 4.231 2.620 3.198) 5.916 29.820 ( 0.822 -0.845 -0.956) 1.518 30.151 ( 0.510 2.353 0.566) 2.473 30.183 ( 2.544 0.027 0.752) 2.653 30.240 ( -4.092 -3.352 0.399) 5.305 30.306 ( -4.355 -1.628 -1.235) 4.810 30.659 ( -14.184 -0.747 -0.295) 14.207 30.827 ( 1.912 1.431 -1.203) 2.673 30.906 ( 1.898 -3.639 6.481) 7.671 31.085 ( 9.570 -1.814 2.120) 9.968 31.258 ( -2.724 1.437 1.226) 3.315 31.352 ( -0.303 0.285 -0.830) 0.929 31.366 ( -0.415 -0.832 0.088) 0.934 31.435 ( 7.199 -2.402 -1.905) 7.824 31.646 ( -4.710 0.202 -2.265) 5.230 31.726 ( -2.586 -1.091 2.592) 3.820 31.837 ( 1.307 -1.593 -0.764) 2.197 31.889 ( 2.344 -1.248 0.480) 2.699 32.476 ( -1.604 -0.605 -3.250) 3.675 32.496 ( -0.834 -1.041 -1.409) 1.941 32.597 ( 1.445 5.881 -8.307) 10.280 32.643 ( 1.680 3.179 8.747) 9.457 33.070 ( -6.464 4.463 3.104) 8.446 33.233 ( 5.274 0.309 -3.224) 6.189 34.448 ( -5.804 -0.239 -1.454) 5.988 34.620 ( 4.628 -5.652 2.464) 7.710 ======================= Grid point 99 (54/63) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -11.286 7.207 8.992) 16.130 1.115 ( -8.946 14.048 -2.810) 16.890 1.224 ( -3.770 14.743 2.190) 15.374 1.311 ( -16.124 -5.602 -0.853) 17.090 1.435 ( 1.009 12.207 1.775) 12.376 1.615 ( 5.806 18.031 8.627) 20.814 1.665 ( 0.025 6.026 12.532) 13.905 1.873 ( -10.208 21.395 4.331) 24.098 1.993 ( 1.437 5.976 3.872) 7.265 1.998 ( -5.564 4.316 -4.882) 8.569 2.043 ( -0.237 2.206 -7.805) 8.114 2.277 ( 0.404 -4.433 2.043) 4.898 2.339 ( 0.445 14.016 1.999) 14.165 2.363 ( -0.137 2.564 -1.999) 3.254 2.399 ( 2.561 -2.696 -0.417) 3.742 2.461 ( 3.204 -0.291 -2.298) 3.953 2.487 ( -3.946 4.254 -2.104) 6.172 2.597 ( -2.273 1.379 -1.147) 2.896 2.641 ( 1.978 -1.834 0.655) 2.776 2.704 ( 1.341 6.197 -0.232) 6.345 2.749 ( -0.053 -5.714 -0.365) 5.726 2.760 ( 0.006 -1.815 1.327) 2.249 2.809 ( -2.360 8.872 -3.737) 9.911 2.892 ( 2.667 0.023 3.113) 4.099 2.908 ( -3.654 -0.639 -2.735) 4.609 2.987 ( 2.008 -2.607 8.058) 8.704 3.076 ( -0.372 0.759 1.241) 1.502 3.117 ( 1.649 4.421 -4.374) 6.435 3.187 ( 0.626 1.802 2.480) 3.129 3.234 ( 3.412 -0.829 -0.726) 3.586 3.288 ( 5.129 0.669 0.846) 5.241 3.309 ( -2.849 1.466 3.584) 4.808 3.403 ( 5.225 2.301 3.946) 6.940 3.432 ( -1.317 2.218 -1.559) 3.014 3.475 ( -2.158 1.184 -1.100) 2.696 3.596 ( -0.443 -0.280 -4.445) 4.476 3.671 ( -2.836 -1.964 -3.790) 5.125 3.705 ( 0.751 0.678 4.590) 4.701 3.877 ( 1.509 -3.858 0.661) 4.194 3.946 ( -4.972 0.015 -3.519) 6.091 4.014 ( 1.860 -5.460 11.211) 12.608 4.107 ( 0.381 -1.458 1.227) 1.943 4.159 ( 1.168 -6.284 -0.249) 6.396 4.187 ( -1.668 -2.052 -3.660) 4.515 4.256 ( 6.222 4.119 4.634) 8.783 4.293 ( 0.924 -2.832 3.606) 4.678 4.472 ( -0.283 3.410 -1.359) 3.682 4.494 ( 4.985 3.324 -1.661) 6.218 4.510 ( 9.714 1.499 1.593) 9.957 4.637 ( -0.551 -6.664 -0.423) 6.700 4.712 ( -2.455 3.037 -0.468) 3.933 4.755 ( 3.812 -2.301 -3.037) 5.390 4.851 ( -1.628 0.916 -0.041) 1.869 4.884 ( 1.697 -0.378 -11.637) 11.766 4.936 ( 3.801 0.942 -3.670) 5.367 5.031 ( -1.645 2.420 2.446) 3.814 5.164 ( -0.248 -0.424 -2.596) 2.642 5.242 ( -0.140 -6.002 -7.521) 9.623 5.286 ( -1.111 -0.637 -6.391) 6.518 5.356 ( 3.715 -7.431 0.939) 8.361 5.417 ( -1.334 -11.995 2.667) 12.360 5.532 ( 2.195 1.324 -3.209) 4.107 5.650 ( 0.029 -4.069 -0.309) 4.081 5.768 ( 1.608 -2.876 -3.914) 5.116 5.892 ( -0.708 -4.052 -3.604) 5.469 5.944 ( -1.294 -5.247 -1.386) 5.579 6.080 ( -2.753 -8.428 4.138) 9.784 6.167 ( -1.428 -6.146 -3.181) 7.066 6.213 ( -1.181 -10.687 -0.685) 10.774 6.333 ( 4.728 -6.936 8.382) 11.863 6.586 ( 4.049 -1.674 2.920) 5.265 6.656 ( -0.708 -3.061 3.142) 4.443 6.751 ( -0.485 3.894 -4.108) 5.681 6.783 ( -6.601 2.157 -11.159) 13.143 6.965 ( 2.878 -5.252 2.649) 6.549 7.000 ( -0.969 -2.805 2.862) 4.123 7.179 ( -2.554 -0.297 -9.036) 9.394 7.266 ( 3.032 -1.427 0.301) 3.364 7.432 ( 0.368 8.249 7.818) 11.371 7.626 ( 5.610 2.314 2.705) 6.644 7.663 ( 8.293 -2.541 7.760) 11.638 7.785 ( -3.263 2.564 0.634) 4.198 7.838 ( -3.626 -1.734 3.638) 5.421 8.034 ( -14.064 -0.552 -1.673) 14.174 8.104 ( -6.715 2.392 5.933) 9.274 8.190 ( 3.830 -10.794 4.499) 12.305 8.447 ( -1.145 2.973 0.845) 3.296 8.559 ( -3.346 -1.248 -10.193) 10.800 8.691 ( -9.056 -0.852 -0.496) 9.110 8.763 ( 2.573 -1.091 0.529) 2.845 8.917 ( -5.583 5.158 -1.583) 7.764 8.986 ( 10.967 3.532 2.431) 11.776 9.092 ( 3.221 1.009 3.629) 4.956 9.247 ( -2.741 0.294 2.944) 4.033 9.328 ( -0.457 12.906 3.835) 13.472 9.472 ( -1.156 3.045 -2.154) 3.905 9.651 ( -0.262 -0.955 0.582) 1.148 9.740 ( -2.813 1.185 1.183) 3.273 9.859 ( 3.121 -5.534 4.627) 7.860 9.916 ( 1.252 3.411 -2.071) 4.183 9.998 ( 0.750 -0.644 1.458) 1.762 10.032 ( 0.588 1.974 -3.140) 3.755 10.150 ( -1.462 -0.958 -3.014) 3.484 10.159 ( 0.745 -4.708 0.392) 4.783 10.334 ( 5.274 1.862 -6.277) 8.407 10.448 ( 3.245 -0.888 -1.234) 3.584 10.467 ( 6.913 1.079 0.172) 6.998 10.527 ( 5.235 -0.625 -5.336) 7.502 10.918 ( 0.161 6.556 2.023) 6.863 11.071 ( 0.852 2.001 -1.307) 2.537 11.300 ( -2.631 4.957 -4.932) 7.471 11.519 ( 0.177 4.866 0.054) 4.869 11.544 ( -1.813 -5.843 8.619) 10.570 11.640 ( 3.733 1.753 -3.571) 5.455 11.699 ( 1.457 0.093 -3.227) 3.542 11.785 ( -7.985 1.429 -3.381) 8.789 11.845 ( -0.558 4.604 0.270) 4.646 11.994 ( -2.754 -3.511 -0.055) 4.462 12.048 ( -0.267 7.614 1.938) 7.861 12.077 ( 2.102 3.750 -2.790) 5.125 12.443 ( 12.752 0.454 0.569) 12.772 12.503 ( 0.734 6.447 -2.057) 6.807 12.730 ( -5.748 -1.187 0.418) 5.884 12.942 ( 6.531 -10.249 11.161) 16.500 13.065 ( 5.720 2.019 4.655) 7.646 13.124 ( -1.961 0.046 -2.373) 3.079 13.270 ( -0.244 -1.515 2.022) 2.539 13.357 ( -0.081 -0.545 -5.256) 5.284 13.431 ( -2.491 -2.648 4.435) 5.735 13.458 ( -1.716 -4.816 4.827) 7.032 13.696 ( -9.796 1.386 -1.874) 10.069 13.814 ( -4.100 -6.044 -1.539) 7.464 14.337 ( 4.616 -0.411 2.274) 5.162 14.383 ( 1.926 -1.026 -1.742) 2.792 14.388 ( 0.937 0.585 -4.790) 4.916 14.484 ( 3.493 -0.309 -7.342) 8.137 14.504 ( -1.679 -1.962 -2.049) 3.296 14.534 ( -0.466 -5.067 -4.393) 6.723 14.635 ( -0.801 1.997 6.464) 6.813 14.746 ( -5.318 1.620 4.831) 7.365 15.023 ( -7.154 0.221 0.447) 7.171 15.061 ( -7.043 -1.596 -2.841) 7.761 15.391 ( -2.324 5.245 0.144) 5.739 15.502 ( -3.092 1.520 0.814) 3.541 15.571 ( -2.249 6.488 3.278) 7.609 15.793 ( -0.489 -2.523 4.641) 5.305 16.849 ( 7.601 -1.903 2.829) 8.331 16.897 ( 10.310 -1.612 -0.073) 10.435 17.477 ( -8.199 0.131 -3.825) 9.048 17.649 ( -4.798 -3.990 2.390) 6.682 18.201 ( 3.329 5.668 0.418) 6.586 18.611 ( 4.042 -9.314 1.667) 10.289 19.111 ( -5.799 2.998 -2.033) 6.837 19.332 ( -9.879 -5.799 -3.310) 11.924 19.662 ( -7.151 4.216 -3.932) 9.186 19.887 ( -3.818 -5.238 2.698) 7.021 20.520 ( -8.741 9.734 2.150) 13.258 20.978 ( 1.432 -6.969 -6.066) 9.349 21.225 ( -2.656 -0.227 -3.458) 4.366 21.274 ( -0.545 -4.064 1.464) 4.354 21.663 ( 5.606 7.755 2.401) 9.866 21.888 ( 8.037 -2.326 1.080) 8.436 22.052 ( -0.156 0.927 0.440) 1.038 22.149 ( 0.702 1.750 2.772) 3.352 22.242 ( 3.655 -1.790 1.751) 4.431 22.308 ( 6.331 -1.101 2.058) 6.748 22.407 ( 2.270 1.161 -0.408) 2.582 22.439 ( 3.701 0.299 -2.136) 4.283 27.595 ( -2.454 8.176 4.202) 9.515 27.938 ( 5.240 3.823 4.458) 7.871 28.135 ( -3.014 -12.576 1.407) 13.008 28.304 ( 3.183 -8.780 0.124) 9.340 28.475 ( 1.912 2.092 -4.714) 5.500 28.562 ( -0.649 -2.616 -6.346) 6.894 28.636 ( 3.189 1.570 0.110) 3.556 28.737 ( 3.316 -2.089 -1.556) 4.217 28.853 ( -2.074 4.570 -0.713) 5.069 28.973 ( -4.077 -1.171 -5.480) 6.930 29.107 ( -1.542 9.248 -5.364) 10.802 29.262 ( 3.742 -2.937 11.519) 12.463 29.457 ( 3.916 2.936 2.509) 5.500 29.504 ( -3.954 2.308 -5.943) 7.502 29.618 ( 4.950 0.332 3.792) 6.245 29.650 ( -3.025 -0.758 -6.319) 7.046 29.748 ( -2.388 -0.993 -6.415) 6.917 29.903 ( 3.827 1.023 5.882) 7.091 30.157 ( 0.060 5.421 0.504) 5.445 30.180 ( -6.859 0.767 -0.059) 6.902 30.210 ( 2.697 0.996 0.092) 2.877 30.292 ( 3.009 -1.619 1.699) 3.816 30.474 ( -12.636 1.651 4.582) 13.542 30.899 ( 5.854 2.617 3.385) 7.251 31.039 ( 2.048 -8.174 9.407) 12.630 31.147 ( -1.258 -1.011 -1.775) 2.399 31.277 ( 0.394 -2.541 2.149) 3.351 31.309 ( -1.232 -2.185 -0.325) 2.529 31.428 ( 4.019 2.106 1.199) 4.693 31.507 ( 0.571 -3.269 0.095) 3.320 31.584 ( 0.904 0.335 1.063) 1.435 31.711 ( -2.404 -3.277 2.895) 4.990 31.816 ( -0.636 0.195 -4.353) 4.403 31.926 ( 0.152 -0.947 1.947) 2.170 32.331 ( -1.717 2.294 -15.906) 16.162 32.405 ( -1.712 -0.674 -6.886) 7.128 32.598 ( 2.583 7.934 1.018) 8.405 32.778 ( 2.341 2.242 8.594) 9.185 33.011 ( -5.791 4.380 2.679) 7.740 33.269 ( 3.456 -1.404 -1.873) 4.174 34.363 ( -3.895 3.567 -0.487) 5.304 34.672 ( 0.210 -7.199 -2.065) 7.493 ======================= Grid point 100 (55/63) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -11.557 15.346 7.342) 20.566 1.053 ( -2.421 7.249 12.793) 14.902 1.213 ( 4.154 14.391 7.823) 16.898 1.305 ( -0.157 -1.910 3.810) 4.265 1.474 ( -0.728 7.147 4.836) 8.660 1.529 ( -8.810 15.790 -2.387) 18.239 1.689 ( -4.538 9.682 1.674) 10.823 1.879 ( -3.716 4.833 1.457) 6.268 1.947 ( -1.895 23.010 3.537) 23.358 2.082 ( 10.305 0.764 8.301) 13.254 2.174 ( -2.641 -8.014 7.620) 11.370 2.311 ( 1.814 2.641 0.157) 3.208 2.331 ( 5.120 2.625 -2.235) 6.172 2.369 ( -1.247 1.058 0.339) 1.670 2.400 ( 0.631 7.931 0.244) 7.960 2.457 ( 1.924 0.295 4.312) 4.731 2.473 ( -1.190 5.673 1.056) 5.891 2.566 ( -1.089 4.691 -3.807) 6.139 2.650 ( 0.434 3.416 -0.031) 3.444 2.691 ( -3.376 -4.568 -1.159) 5.798 2.731 ( -1.383 3.455 0.637) 3.775 2.749 ( -0.696 2.469 4.174) 4.900 2.802 ( 0.209 2.015 1.247) 2.379 2.873 ( 1.546 0.668 -0.786) 1.859 2.921 ( 0.173 2.796 2.287) 3.616 2.984 ( -5.044 -0.192 0.821) 5.114 3.067 ( -0.020 4.534 -3.102) 5.493 3.164 ( -0.559 -3.678 5.834) 6.919 3.213 ( -0.852 4.808 0.450) 4.903 3.286 ( -3.220 1.204 2.860) 4.472 3.322 ( 7.059 3.455 1.121) 7.939 3.362 ( 2.307 -0.472 -0.844) 2.501 3.403 ( 2.583 0.127 -0.272) 2.600 3.449 ( 0.714 -1.745 -0.841) 2.065 3.526 ( 2.626 -4.791 -2.441) 5.984 3.563 ( 1.099 1.209 -3.696) 4.041 3.601 ( 5.159 1.912 -1.015) 5.595 3.780 ( -3.361 1.277 1.402) 3.859 3.829 ( -0.995 3.610 0.771) 3.823 3.903 ( -6.315 1.555 -11.018) 12.795 3.984 ( 2.493 -3.142 -0.548) 4.048 4.063 ( -1.495 -1.631 -4.889) 5.366 4.150 ( -1.357 -4.963 -1.390) 5.330 4.214 ( 0.290 -1.289 1.583) 2.062 4.261 ( -1.934 -1.803 -1.124) 2.873 4.372 ( 2.689 -11.903 -1.116) 12.254 4.447 ( 2.604 1.933 0.619) 3.301 4.573 ( -5.032 1.967 -1.248) 5.545 4.592 ( -2.025 -2.773 -5.277) 6.297 4.627 ( -1.506 2.413 -0.520) 2.892 4.674 ( 6.018 -3.383 -1.916) 7.165 4.770 ( 2.362 0.081 -1.670) 2.894 4.850 ( 2.282 -1.909 2.723) 4.033 4.892 ( 6.214 -1.297 7.056) 9.491 4.974 ( 3.085 -2.117 0.421) 3.765 5.049 ( 2.330 5.784 1.492) 6.412 5.117 ( 2.030 1.172 -1.561) 2.816 5.216 ( 3.348 -4.881 -1.818) 6.192 5.264 ( 2.401 -1.319 -0.821) 2.860 5.365 ( -1.713 -6.136 -2.688) 6.914 5.437 ( -3.080 -10.244 -0.055) 10.697 5.575 ( -2.199 -11.354 -0.474) 11.575 5.602 ( 6.983 0.362 3.557) 7.845 5.709 ( -0.279 5.820 -7.693) 9.651 5.811 ( -0.477 -4.613 -3.994) 6.121 5.926 ( -1.231 -9.836 -3.617) 10.552 6.054 ( -4.705 -0.543 -1.555) 4.985 6.139 ( -6.873 -3.927 -1.431) 8.044 6.148 ( 1.827 -1.965 -1.167) 2.926 6.433 ( -0.641 -6.053 -5.928) 8.496 6.468 ( -2.380 -6.728 -7.230) 10.160 6.580 ( -1.670 -4.799 -3.463) 6.149 6.677 ( 2.991 -3.643 3.969) 6.162 6.784 ( -5.323 -7.949 -7.876) 12.392 7.024 ( 2.357 5.740 -0.583) 6.232 7.104 ( 2.968 -0.916 7.004) 7.662 7.127 ( 5.900 -2.815 10.874) 12.688 7.356 ( 3.919 -2.869 -1.477) 5.077 7.498 ( -7.165 9.167 0.120) 11.635 7.588 ( -6.897 -1.031 -2.380) 7.369 7.616 ( -5.690 2.863 -0.398) 6.382 7.839 ( 2.644 -3.205 2.949) 5.095 7.885 ( 1.370 1.847 5.409) 5.878 7.992 ( 9.493 -2.270 -4.126) 10.597 8.132 ( -6.694 3.189 5.780) 9.401 8.218 ( -3.101 -3.026 2.669) 5.089 8.392 ( -2.837 5.112 -1.468) 6.028 8.468 ( 1.095 -0.658 1.429) 1.917 8.647 ( 0.127 -7.419 4.118) 8.486 8.682 ( -7.699 -8.365 -4.339) 12.169 8.872 ( -0.489 8.135 4.204) 9.170 9.123 ( 1.307 6.616 -3.955) 7.818 9.177 ( 1.702 4.419 2.137) 5.195 9.255 ( 3.319 -5.919 4.888) 8.363 9.357 ( -2.493 8.067 -1.583) 8.590 9.490 ( -0.329 5.633 8.954) 10.583 9.656 ( -0.472 2.792 4.350) 5.191 9.725 ( 1.604 1.297 -0.345) 2.092 9.907 ( -3.415 -1.404 -0.029) 3.693 9.942 ( -0.985 0.683 -4.994) 5.136 10.000 ( 3.588 -6.216 2.929) 7.752 10.050 ( 2.765 -0.496 0.594) 2.871 10.055 ( -2.677 1.900 -3.033) 4.470 10.151 ( 0.209 -0.435 -1.463) 1.540 10.349 ( 3.932 1.314 -9.878) 10.712 10.412 ( 2.085 -1.923 -2.975) 4.111 10.517 ( 5.962 4.044 -6.865) 9.951 10.582 ( 3.708 1.120 2.115) 4.413 10.980 ( 2.269 6.025 4.067) 7.615 11.105 ( 4.537 4.884 -0.482) 6.683 11.208 ( -1.655 4.305 -5.255) 6.992 11.436 ( -8.451 -0.491 -6.087) 10.426 11.511 ( -4.181 2.464 -1.717) 5.148 11.575 ( -9.026 -0.584 0.167) 9.047 11.590 ( -2.972 5.365 -5.087) 7.969 11.777 ( -0.024 -3.332 -4.071) 5.260 11.882 ( 2.414 1.267 2.515) 3.709 11.932 ( 4.895 -1.679 4.702) 6.992 12.137 ( 4.965 4.698 1.731) 7.051 12.194 ( 6.710 1.997 0.497) 7.018 12.423 ( -3.795 6.518 -1.597) 7.710 12.591 ( -0.813 -2.195 2.815) 3.661 12.699 ( 8.704 4.489 1.655) 9.932 13.045 ( -1.933 -1.563 -3.950) 4.667 13.101 ( -3.106 2.122 -7.929) 8.776 13.192 ( 5.838 -6.975 7.955) 12.084 13.269 ( -4.160 -0.365 -1.714) 4.514 13.306 ( -3.648 -5.690 4.807) 8.294 13.419 ( -6.777 -0.729 2.813) 7.374 13.514 ( -1.943 -0.214 2.355) 3.061 13.578 ( 4.160 -2.461 3.468) 5.949 13.762 ( -2.785 -10.282 2.035) 10.845 14.305 ( -1.003 7.301 0.239) 7.374 14.358 ( 2.485 -1.530 -3.568) 4.610 14.406 ( 1.372 -2.789 -4.610) 5.560 14.481 ( 2.555 -3.470 -1.089) 4.445 14.524 ( 3.291 -5.784 -1.670) 6.861 14.582 ( 4.553 -3.723 1.149) 5.993 14.717 ( 0.396 1.278 7.750) 7.864 14.741 ( -1.975 1.087 4.744) 5.253 14.902 ( -4.780 -0.291 0.405) 4.806 14.990 ( -5.922 -1.507 5.483) 8.210 15.386 ( 0.583 1.672 0.066) 1.772 15.484 ( -0.541 0.623 1.251) 1.499 15.580 ( 0.170 6.459 0.984) 6.535 15.806 ( -2.966 -2.625 1.289) 4.165 16.978 ( 5.918 -0.071 2.081) 6.274 17.040 ( 9.153 -1.369 -1.372) 9.356 17.309 ( -7.528 4.348 -1.026) 8.754 17.544 ( -9.788 -4.270 -2.057) 10.875 18.293 ( 2.966 5.361 4.553) 7.633 18.588 ( -2.367 -4.834 -3.703) 6.534 19.135 ( 2.728 -1.471 2.285) 3.851 19.173 ( -5.412 -3.773 -0.900) 6.658 19.546 ( -2.166 5.663 -0.235) 6.067 19.830 ( -6.038 -7.367 0.292) 9.530 20.426 ( -5.782 8.757 1.540) 10.606 20.800 ( -4.325 -5.128 -14.383) 15.870 21.235 ( 2.723 0.782 3.421) 4.441 21.354 ( 1.624 -6.973 4.485) 8.449 21.802 ( 6.970 7.788 4.475) 11.369 21.999 ( 3.230 1.240 -0.211) 3.466 22.039 ( -0.977 -3.891 0.940) 4.120 22.145 ( -0.795 -2.550 -0.881) 2.813 22.334 ( 4.972 2.592 1.179) 5.729 22.389 ( 1.167 0.218 1.339) 1.789 22.439 ( 2.674 0.941 0.288) 2.850 22.484 ( 4.412 1.009 -1.107) 4.659 27.651 ( -0.296 7.792 8.378) 11.445 28.035 ( 0.095 4.318 1.004) 4.434 28.105 ( -1.641 -10.395 3.090) 10.968 28.321 ( -0.186 -6.426 -1.867) 6.695 28.460 ( 4.944 1.204 -6.348) 8.136 28.491 ( 0.632 -1.615 -5.265) 5.543 28.685 ( 3.508 1.495 -0.222) 3.820 28.773 ( 3.590 -1.107 -1.930) 4.223 28.821 ( -1.431 1.735 -0.429) 2.289 28.864 ( -2.508 0.706 -4.127) 4.881 28.970 ( -5.318 6.759 -3.724) 9.372 29.297 ( -7.990 -6.852 -7.778) 13.087 29.422 ( -1.355 2.363 0.546) 2.778 29.519 ( 0.160 -3.383 -0.975) 3.524 29.631 ( 6.236 -0.351 4.071) 7.456 29.698 ( 6.212 -1.328 -1.121) 6.451 29.753 ( 4.713 2.496 3.901) 6.607 29.972 ( -1.553 -3.352 2.743) 4.601 30.071 ( -7.061 1.137 0.540) 7.172 30.152 ( -4.315 -1.341 -0.559) 4.553 30.266 ( 2.728 1.278 0.687) 3.090 30.333 ( 2.053 0.166 -0.977) 2.280 30.469 ( 1.514 14.210 8.700) 16.731 31.039 ( -7.102 -1.724 -1.503) 7.461 31.078 ( 3.593 -0.804 4.107) 5.516 31.149 ( 3.138 3.400 -0.240) 4.633 31.208 ( -2.390 -7.898 -1.513) 8.389 31.381 ( 5.434 -4.882 0.136) 7.306 31.430 ( -1.646 -0.280 4.160) 4.483 31.503 ( 1.222 -3.596 1.715) 4.167 31.671 ( -7.444 1.513 0.830) 7.642 31.693 ( 2.056 0.843 4.428) 4.954 31.787 ( 1.451 2.012 2.432) 3.474 31.935 ( 0.365 -0.271 0.455) 0.643 32.146 ( 1.395 2.724 -13.696) 14.034 32.283 ( -2.229 -0.968 -8.753) 9.084 32.682 ( 5.584 6.309 2.621) 8.824 32.881 ( -2.425 6.739 4.318) 8.363 33.005 ( 3.479 -5.656 3.813) 7.658 33.274 ( -1.406 -5.438 -0.823) 5.677 34.329 ( 0.470 5.883 -0.648) 5.937 34.555 ( -8.013 -1.843 -5.993) 10.175 ======================= Grid point 101 (56/63) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 3.008 -0.919 7.324) 7.971 1.282 ( 3.008 0.919 7.324) 7.971 1.546 ( 0.594 -11.985 6.669) 13.728 1.546 ( 0.594 11.985 6.669) 13.728 1.662 ( -3.238 -4.848 6.187) 8.500 1.662 ( -3.238 4.848 6.187) 8.500 1.804 ( -7.986 -4.027 -3.859) 9.740 1.804 ( -7.986 4.027 -3.859) 9.740 1.892 ( 8.836 -7.318 -3.604) 12.026 1.892 ( 8.836 7.318 -3.603) 12.026 2.310 ( -3.639 -2.554 1.417) 4.666 2.310 ( -3.639 2.554 1.417) 4.666 2.408 ( 1.236 -3.632 3.262) 5.036 2.408 ( 1.236 3.632 3.262) 5.036 2.502 ( 0.342 -2.674 0.295) 2.712 2.502 ( 0.342 2.674 0.295) 2.712 2.605 ( -1.931 -6.067 4.229) 7.644 2.605 ( -1.931 6.067 4.229) 7.644 2.646 ( 1.257 -1.463 -0.748) 2.069 2.646 ( 1.257 1.463 -0.748) 2.069 2.819 ( 2.104 -2.311 -4.182) 5.221 2.819 ( 2.104 2.311 -4.182) 5.221 2.912 ( 1.697 -7.537 5.163) 9.292 2.912 ( 1.697 7.537 5.163) 9.292 3.045 ( 1.771 -3.199 1.896) 4.119 3.045 ( 1.771 3.199 1.896) 4.119 3.173 ( -2.711 -4.205 -0.740) 5.058 3.173 ( -2.711 4.205 -0.740) 5.058 3.255 ( -0.430 -1.042 -0.109) 1.132 3.255 ( -0.430 1.042 -0.109) 1.132 3.329 ( -0.992 -3.378 0.991) 3.658 3.329 ( -0.992 3.378 0.991) 3.658 3.444 ( 0.806 -4.413 -2.544) 5.157 3.444 ( 0.806 4.413 -2.544) 5.157 3.579 ( 0.901 -8.807 -5.911) 10.645 3.579 ( 0.901 8.807 -5.911) 10.645 3.730 ( -3.475 -1.806 -4.070) 5.649 3.730 ( -3.475 1.806 -4.070) 5.649 3.857 ( 1.032 -0.959 -2.013) 2.456 3.857 ( 1.032 0.959 -2.013) 2.456 4.005 ( 2.212 -2.636 5.007) 6.075 4.005 ( 2.212 2.636 5.007) 6.075 4.047 ( 1.830 -5.767 -3.243) 6.865 4.047 ( 1.830 5.767 -3.243) 6.865 4.166 ( 0.191 -3.757 8.585) 9.373 4.166 ( 0.191 3.757 8.585) 9.373 4.362 ( -7.548 -3.977 -7.496) 11.356 4.362 ( -7.548 3.977 -7.496) 11.356 4.656 ( 2.401 -2.898 -1.622) 4.098 4.656 ( 2.401 2.898 -1.622) 4.098 4.721 ( 1.140 -0.342 0.202) 1.207 4.721 ( 1.140 0.342 0.202) 1.207 4.915 ( 0.668 -1.823 -0.170) 1.949 4.915 ( 0.668 1.823 -0.170) 1.949 5.058 ( -3.337 -7.313 -0.578) 8.059 5.058 ( -3.337 7.313 -0.578) 8.059 5.124 ( 1.737 -1.453 -0.418) 2.303 5.124 ( 1.737 1.453 -0.418) 2.303 5.231 ( 0.641 -4.506 -3.216) 5.573 5.231 ( 0.641 4.506 -3.216) 5.573 5.468 ( -0.189 -5.701 12.947) 14.148 5.468 ( -0.189 5.701 12.947) 14.148 5.687 ( 0.553 -5.799 -6.224) 8.525 5.687 ( 0.553 5.799 -6.224) 8.525 5.843 ( 7.919 -2.737 1.144) 8.456 5.843 ( 7.919 2.737 1.144) 8.456 5.988 ( -5.976 -6.642 0.374) 8.942 5.988 ( -5.976 6.642 0.374) 8.942 6.061 ( -3.226 -11.217 -4.942) 12.675 6.061 ( -3.226 11.217 -4.942) 12.675 6.364 ( 1.335 -5.058 -10.956) 12.141 6.364 ( 1.335 5.058 -10.956) 12.141 6.737 ( 4.455 -3.504 12.005) 13.276 6.737 ( 4.455 3.504 12.005) 13.276 7.060 ( -5.560 -1.447 -13.535) 14.704 7.060 ( -5.560 1.447 -13.535) 14.704 7.321 ( 2.166 -4.548 7.824) 9.305 7.321 ( 2.166 4.548 7.824) 9.305 7.427 ( 2.079 -4.119 -2.781) 5.387 7.427 ( 2.079 4.119 -2.781) 5.387 7.869 ( -6.777 -3.609 5.325) 9.343 7.869 ( -6.777 3.609 5.325) 9.343 7.928 ( 4.969 -5.922 -0.183) 7.733 7.928 ( 4.969 5.922 -0.183) 7.733 8.066 ( -3.973 -2.990 -3.167) 5.895 8.066 ( -3.973 2.990 -3.167) 5.895 8.484 ( -0.935 -2.848 3.368) 4.509 8.484 ( -0.935 2.848 3.368) 4.509 8.661 ( 5.198 -3.554 4.002) 7.461 8.661 ( 5.198 3.554 4.002) 7.461 9.086 ( -1.597 -5.153 -0.889) 5.467 9.086 ( -1.597 5.153 -0.889) 5.467 9.228 ( 1.353 -4.178 0.409) 4.411 9.228 ( 1.353 4.178 0.409) 4.411 9.458 ( -1.403 -4.357 -1.350) 4.772 9.458 ( -1.403 4.357 -1.350) 4.772 9.746 ( -0.516 -0.425 0.750) 1.005 9.746 ( -0.516 0.425 0.750) 1.005 9.920 ( -0.270 -5.537 2.588) 6.118 9.920 ( -0.270 5.537 2.588) 6.118 10.062 ( 3.085 -2.840 -1.225) 4.368 10.062 ( 3.085 2.840 -1.225) 4.368 10.115 ( -0.957 -5.960 5.784) 8.360 10.115 ( -0.957 5.960 5.784) 8.360 10.274 ( -1.028 -4.864 -9.163) 10.425 10.274 ( -1.028 4.864 -9.163) 10.425 10.643 ( -0.046 -0.215 0.323) 0.390 10.643 ( -0.046 0.215 0.323) 0.390 11.149 ( -2.920 -1.267 -0.864) 3.298 11.149 ( -2.920 1.267 -0.864) 3.298 11.222 ( 1.522 -0.394 0.763) 1.748 11.222 ( 1.522 0.394 0.763) 1.748 11.576 ( -0.333 -3.943 -2.217) 4.536 11.576 ( -0.333 3.943 -2.217) 4.536 11.592 ( -0.094 -7.479 -3.751) 8.367 11.592 ( -0.094 7.479 -3.751) 8.367 12.028 ( 4.203 -1.461 5.347) 6.956 12.028 ( 4.203 1.461 5.347) 6.956 12.156 ( -4.082 -0.827 -4.903) 6.433 12.156 ( -4.082 0.827 -4.903) 6.433 12.664 ( 7.808 -5.190 10.493) 14.071 12.664 ( 7.808 5.190 10.493) 14.071 12.868 ( -5.507 -5.680 -9.179) 12.118 12.868 ( -5.507 5.680 -9.179) 12.118 13.018 ( -5.450 -2.339 -1.447) 6.104 13.018 ( -5.450 2.339 -1.447) 6.104 13.222 ( 0.864 -1.318 1.921) 2.485 13.222 ( 0.864 1.318 1.921) 2.485 13.533 ( -2.567 -6.563 2.769) 7.572 13.533 ( -2.567 6.563 2.769) 7.572 13.586 ( 6.999 -6.309 0.680) 9.447 13.586 ( 6.999 6.309 0.680) 9.447 14.289 ( -0.711 -1.647 -3.466) 3.903 14.289 ( -0.711 1.647 -3.466) 3.903 14.450 ( -1.549 -3.838 1.935) 4.569 14.450 ( -1.549 3.838 1.935) 4.569 14.509 ( 0.956 -2.182 -1.464) 2.796 14.509 ( 0.956 2.182 -1.464) 2.796 14.795 ( -2.253 -3.297 3.017) 5.005 14.795 ( -2.253 3.297 3.017) 5.005 14.927 ( 5.108 -2.426 0.759) 5.706 14.927 ( 5.108 2.426 0.759) 5.706 15.501 ( 2.151 -3.157 3.573) 5.231 15.501 ( 2.151 3.157 3.573) 5.231 15.653 ( -3.300 -4.022 -2.389) 5.725 15.653 ( -3.300 4.022 -2.389) 5.725 17.089 ( -0.299 -0.994 0.717) 1.262 17.089 ( -0.299 0.994 0.717) 1.262 17.345 ( -0.071 -1.607 -0.851) 1.820 17.345 ( -0.071 1.607 -0.851) 1.820 18.427 ( -0.751 -3.489 -0.350) 3.586 18.427 ( -0.751 3.489 -0.350) 3.586 19.153 ( 1.062 -1.476 1.296) 2.233 19.153 ( 1.062 1.476 1.296) 2.233 19.644 ( 0.478 -1.846 -0.024) 1.907 19.644 ( 0.478 1.846 -0.024) 1.907 20.519 ( -1.512 -4.284 -2.825) 5.350 20.519 ( -1.512 4.284 -2.825) 5.350 21.344 ( 1.886 -1.103 2.131) 3.052 21.344 ( 1.886 1.103 2.131) 3.052 21.936 ( -2.197 -0.921 -0.295) 2.401 21.936 ( -2.197 0.921 -0.295) 2.401 22.085 ( 1.071 -1.205 0.310) 1.642 22.085 ( 1.071 1.205 0.310) 1.642 22.420 ( -0.048 -0.723 0.334) 0.798 22.420 ( -0.048 0.723 0.334) 0.798 22.511 ( 0.432 -1.748 0.606) 1.900 22.511 ( 0.432 1.748 0.606) 1.900 27.922 ( -1.174 -6.114 6.547) 9.034 27.922 ( -1.174 6.114 6.547) 9.034 28.157 ( -0.885 -3.892 -1.633) 4.312 28.157 ( -0.885 3.892 -1.633) 4.312 28.460 ( 3.074 -0.617 -5.309) 6.166 28.460 ( 3.074 0.617 -5.309) 6.166 28.776 ( 0.642 -0.487 -1.050) 1.324 28.776 ( 0.642 0.487 -1.050) 1.324 28.813 ( 0.039 -0.426 -0.190) 0.469 28.813 ( 0.039 0.426 -0.190) 0.469 28.976 ( -3.111 -3.103 -2.699) 5.157 28.976 ( -3.111 3.103 -2.699) 5.157 29.463 ( -0.706 -0.723 1.155) 1.534 29.463 ( -0.706 0.723 1.155) 1.534 29.743 ( 3.208 -0.964 -1.457) 3.653 29.743 ( 3.208 0.964 -1.457) 3.653 29.886 ( -0.124 -1.758 1.692) 2.443 29.886 ( -0.124 1.758 1.692) 2.443 30.032 ( -1.073 -0.418 1.059) 1.565 30.032 ( -1.073 0.418 1.059) 1.565 30.317 ( -0.214 -0.511 -0.045) 0.556 30.317 ( -0.214 0.511 -0.045) 0.556 30.917 ( -1.403 -7.687 4.485) 9.010 30.917 ( -1.403 7.687 4.485) 9.010 31.024 ( -1.822 -4.616 -2.143) 5.406 31.024 ( -1.822 4.616 -2.143) 5.406 31.402 ( -0.547 -0.629 1.253) 1.505 31.402 ( -0.547 0.629 1.253) 1.505 31.443 ( 5.272 -3.237 1.923) 6.479 31.443 ( 5.272 3.237 1.923) 6.479 31.665 ( -1.652 -2.146 -0.130) 2.712 31.665 ( -1.652 2.146 -0.130) 2.712 31.918 ( 2.136 -3.838 2.443) 5.026 31.918 ( 2.136 3.838 2.443) 5.026 32.109 ( -1.699 -2.509 -6.986) 7.615 32.109 ( -1.699 2.509 -6.986) 7.615 32.936 ( 0.573 -5.779 1.218) 5.934 32.936 ( 0.573 5.779 1.218) 5.934 32.999 ( -0.523 -7.171 -0.355) 7.199 32.999 ( -0.523 7.171 -0.355) 7.199 34.427 ( -0.416 -0.834 -1.544) 1.804 34.427 ( -0.416 0.834 -1.544) 1.804 ======================= Grid point 103 (57/63) ======================= q-point: ( 0.12 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -1.395 -1.149 -6.717) 6.956 1.305 ( -1.395 1.149 -6.717) 6.956 1.426 ( -13.760 -11.168 2.794) 17.941 1.426 ( -13.760 11.168 2.794) 17.941 1.684 ( 5.137 -5.669 3.607) 8.458 1.684 ( 5.137 5.669 3.607) 8.458 1.815 ( 1.414 -1.841 -4.411) 4.985 1.815 ( 1.414 1.841 -4.411) 4.985 2.042 ( 12.099 -6.914 1.708) 14.040 2.042 ( 12.099 6.914 1.708) 14.040 2.292 ( -2.013 -7.072 2.475) 7.759 2.292 ( -2.013 7.072 2.475) 7.759 2.414 ( -2.315 -4.989 -1.793) 5.785 2.414 ( -2.315 4.989 -1.793) 5.785 2.487 ( -2.947 -3.332 -1.579) 4.720 2.487 ( -2.947 3.332 -1.579) 4.720 2.651 ( 3.458 -2.074 4.071) 5.730 2.651 ( 3.458 2.074 4.071) 5.730 2.670 ( 2.195 -3.622 -4.224) 5.982 2.670 ( 2.195 3.622 -4.224) 5.982 2.813 ( 2.317 -5.573 -0.857) 6.096 2.813 ( 2.317 5.573 -0.857) 6.096 2.918 ( -1.462 -0.262 -3.117) 3.453 2.918 ( -1.462 0.262 -3.117) 3.453 3.058 ( 1.502 -7.913 -3.397) 8.742 3.058 ( 1.502 7.913 -3.397) 8.742 3.209 ( 3.994 -3.021 1.492) 5.225 3.209 ( 3.994 3.021 1.492) 5.225 3.273 ( 1.193 -1.906 0.272) 2.265 3.273 ( 1.193 1.906 0.272) 2.265 3.315 ( -1.214 -3.559 6.281) 7.320 3.315 ( -1.214 3.559 6.281) 7.320 3.391 ( -5.208 -2.348 -1.575) 5.926 3.391 ( -5.208 2.348 -1.575) 5.926 3.524 ( -4.855 -3.711 0.610) 6.141 3.524 ( -4.855 3.711 0.610) 6.141 3.658 ( -3.699 -2.534 0.972) 4.588 3.658 ( -3.699 2.534 0.972) 4.588 3.849 ( -0.353 -1.597 1.598) 2.287 3.849 ( -0.353 1.597 1.598) 2.287 3.965 ( -0.708 -1.207 0.246) 1.421 3.965 ( -0.708 1.207 0.246) 1.421 4.051 ( 0.536 -4.997 -1.018) 5.128 4.051 ( 0.536 4.997 -1.018) 5.128 4.256 ( 3.132 -5.903 -4.404) 8.003 4.256 ( 3.132 5.903 -4.404) 8.003 4.439 ( 9.911 -2.581 10.672) 14.791 4.439 ( 9.911 2.581 10.672) 14.791 4.597 ( -5.564 -7.298 -3.698) 9.894 4.597 ( -5.564 7.298 -3.698) 9.894 4.697 ( -3.545 -3.337 -1.964) 5.249 4.697 ( -3.545 3.337 -1.964) 5.249 4.829 ( -7.884 -5.796 0.604) 9.804 4.829 ( -7.884 5.796 0.604) 9.804 5.022 ( -6.721 -1.690 -2.687) 7.433 5.022 ( -6.721 1.690 -2.687) 7.433 5.094 ( 1.676 -3.212 4.923) 6.113 5.094 ( 1.676 3.212 4.923) 6.113 5.279 ( 4.009 -1.557 -1.034) 4.423 5.279 ( 4.009 1.557 -1.034) 4.423 5.573 ( 1.332 -5.112 -7.356) 9.056 5.573 ( 1.332 5.112 -7.356) 9.056 5.635 ( 1.266 -3.574 6.211) 7.277 5.635 ( 1.266 3.574 6.211) 7.277 5.762 ( -5.914 -2.954 -7.182) 9.762 5.762 ( -5.914 2.954 -7.182) 9.762 6.008 ( -1.002 -1.791 2.994) 3.630 6.008 ( -1.002 1.791 2.994) 3.630 6.151 ( 11.459 -4.953 6.129) 13.907 6.151 ( 11.459 4.953 6.129) 13.907 6.323 ( 1.993 -2.691 1.610) 3.715 6.323 ( 1.993 2.691 1.610) 3.715 6.757 ( -4.477 -2.912 -11.396) 12.586 6.757 ( -4.477 2.912 -11.396) 12.586 7.064 ( 6.262 -2.996 9.893) 12.086 7.064 ( 6.262 2.996 9.893) 12.086 7.268 ( -6.351 -1.816 -2.608) 7.102 7.268 ( -6.351 1.816 -2.608) 7.102 7.482 ( 6.826 -3.732 -0.454) 7.793 7.482 ( 6.826 3.732 -0.454) 7.793 7.795 ( -6.786 -5.183 4.187) 9.510 7.795 ( -6.786 5.183 4.187) 9.510 7.954 ( -1.751 -5.977 -3.634) 7.210 7.954 ( -1.751 5.977 -3.634) 7.210 8.168 ( 12.464 -4.790 4.671) 14.146 8.168 ( 12.464 4.790 4.671) 14.146 8.469 ( -2.891 -1.545 1.197) 3.490 8.469 ( -2.891 1.545 1.197) 3.490 8.672 ( -0.667 -5.024 -7.764) 9.272 8.672 ( -0.667 5.024 -7.764) 9.272 9.099 ( 0.516 -5.540 1.251) 5.703 9.099 ( 0.516 5.540 1.251) 5.703 9.208 ( -2.188 -6.068 -2.309) 6.851 9.208 ( -2.188 6.068 -2.309) 6.851 9.458 ( 1.723 -5.356 3.492) 6.622 9.458 ( 1.723 5.356 3.492) 6.622 9.784 ( 3.674 -3.171 -0.482) 4.877 9.784 ( 3.674 3.171 -0.482) 4.877 9.931 ( -0.254 -1.578 1.605) 2.265 9.931 ( -0.254 1.578 1.605) 2.265 10.020 ( -3.517 -1.897 -4.781) 6.231 10.020 ( -3.517 1.897 -4.781) 6.231 10.140 ( -2.791 -3.325 -2.563) 5.041 10.140 ( -2.791 3.325 -2.563) 5.041 10.227 ( 1.427 -4.753 5.583) 7.470 10.227 ( 1.427 4.753 5.583) 7.470 10.562 ( -9.661 -4.302 0.797) 10.606 10.562 ( -9.661 4.302 0.797) 10.606 11.083 ( -3.661 -2.444 1.373) 4.611 11.083 ( -3.661 2.444 1.373) 4.611 11.357 ( 10.139 -4.354 -0.131) 11.035 11.357 ( 10.139 4.354 -0.131) 11.035 11.572 ( 2.021 -5.520 0.077) 5.878 11.572 ( 2.021 5.520 0.077) 5.878 11.602 ( 3.194 -6.047 2.234) 7.194 11.602 ( 3.194 6.047 2.234) 7.194 11.965 ( -6.897 -1.339 -3.495) 7.847 11.965 ( -6.897 1.339 -3.495) 7.847 12.181 ( 0.884 -1.007 1.866) 2.297 12.181 ( 0.884 1.007 1.866) 2.297 12.599 ( -8.377 -5.521 -6.188) 11.788 12.599 ( -8.377 5.521 -6.188) 11.788 12.860 ( -0.018 -7.188 2.360) 7.565 12.860 ( -0.018 7.188 2.360) 7.565 13.015 ( 0.545 -4.898 8.045) 9.434 13.015 ( 0.545 4.898 8.045) 9.434 13.276 ( 4.070 -2.864 -0.668) 5.021 13.276 ( 4.070 2.864 -0.668) 5.021 13.527 ( 0.643 -5.369 -1.061) 5.510 13.527 ( 0.643 5.369 -1.061) 5.510 13.667 ( 8.321 -7.051 -5.800) 12.353 13.667 ( 8.321 7.051 -5.800) 12.353 14.259 ( -2.128 -1.194 2.014) 3.164 14.259 ( -2.128 1.194 2.014) 3.164 14.402 ( -6.152 -1.423 1.367) 6.460 14.402 ( -6.152 1.423 1.367) 6.460 14.510 ( -0.137 -4.529 -1.361) 4.731 14.510 ( -0.137 4.529 -1.361) 4.731 14.768 ( -1.410 -2.323 1.321) 3.021 14.768 ( -1.410 2.323 1.321) 3.021 15.036 ( 9.928 -4.566 -5.514) 12.240 15.036 ( 9.928 4.566 -5.514) 12.240 15.506 ( -0.193 -3.088 -3.230) 4.473 15.506 ( -0.193 3.088 -3.230) 4.473 15.668 ( 2.427 -4.954 4.625) 7.199 15.668 ( 2.427 4.954 4.625) 7.199 17.008 ( -8.963 -1.653 0.324) 9.120 17.008 ( -8.963 1.653 0.324) 9.120 17.413 ( 7.212 -4.115 0.262) 8.308 17.413 ( 7.212 4.115 0.262) 8.308 18.429 ( -0.102 -2.127 1.170) 2.430 18.429 ( -0.102 2.127 1.170) 2.430 19.158 ( 0.565 -0.244 -1.915) 2.011 19.158 ( 0.565 0.244 -1.915) 2.011 19.684 ( 5.137 -5.699 -0.557) 7.693 19.684 ( 5.137 5.699 -0.557) 7.693 20.539 ( 3.901 -1.929 2.936) 5.249 20.539 ( 3.901 1.929 2.936) 5.249 21.336 ( -1.898 -2.142 -3.183) 4.281 21.336 ( -1.898 2.142 -3.183) 4.281 21.945 ( 0.540 -3.243 3.035) 4.474 21.945 ( 0.540 3.243 3.035) 4.474 22.047 ( -4.690 -1.472 -1.426) 5.118 22.047 ( -4.690 1.472 -1.426) 5.118 22.393 ( -3.476 -2.213 -0.126) 4.123 22.393 ( -3.476 2.213 -0.126) 4.123 22.492 ( -2.589 -2.049 -0.751) 3.386 22.492 ( -2.589 2.049 -0.751) 3.386 27.943 ( -1.814 -4.465 0.044) 4.820 27.943 ( -1.814 4.465 0.044) 4.820 28.150 ( 0.128 -3.620 1.965) 4.121 28.150 ( 0.128 3.620 1.965) 4.121 28.427 ( -0.076 -2.172 -3.425) 4.056 28.427 ( -0.076 2.172 -3.425) 4.056 28.721 ( -5.111 -2.085 -0.336) 5.530 28.721 ( -5.111 2.085 -0.336) 5.530 28.818 ( 0.845 -0.630 1.131) 1.546 28.818 ( 0.845 0.630 1.131) 1.546 29.037 ( 7.225 -5.236 3.814) 9.704 29.037 ( 7.225 5.236 3.814) 9.704 29.465 ( -0.678 -2.178 0.742) 2.398 29.465 ( -0.678 2.178 0.742) 2.398 29.687 ( -4.871 -0.668 -3.436) 5.998 29.687 ( -4.871 0.668 -3.436) 5.998 29.894 ( 0.558 -4.139 -0.256) 4.184 29.894 ( 0.558 4.139 -0.256) 4.184 30.105 ( 6.926 -1.366 0.415) 7.072 30.105 ( 6.926 1.366 0.415) 7.072 30.301 ( -1.934 -1.226 0.259) 2.305 30.301 ( -1.934 1.226 0.259) 2.305 30.890 ( -5.324 -12.658 1.235) 13.787 30.890 ( -5.324 12.658 1.235) 13.787 31.067 ( 4.419 -4.665 3.014) 7.098 31.067 ( 4.419 4.665 3.014) 7.098 31.291 ( -7.089 -6.021 -3.059) 9.791 31.291 ( -7.089 6.021 -3.059) 9.791 31.504 ( 2.906 -0.832 -3.855) 4.898 31.504 ( 2.906 0.832 -3.855) 4.898 31.731 ( 6.160 -2.504 1.282) 6.772 31.731 ( 6.160 2.504 1.282) 6.772 31.913 ( -1.692 -0.942 -5.167) 5.518 31.913 ( -1.692 0.942 -5.167) 5.518 32.057 ( -2.589 -5.332 5.979) 8.419 32.057 ( -2.589 5.332 5.979) 8.419 32.852 ( -6.422 -8.167 -0.194) 10.392 32.852 ( -6.422 8.167 -0.194) 10.392 33.102 ( 8.147 -9.338 -0.148) 12.393 33.102 ( 8.147 9.338 -0.148) 12.393 34.431 ( 1.346 -4.136 0.936) 4.449 34.431 ( 1.346 4.136 0.936) 4.449 ======================= Grid point 105 (58/63) ======================= q-point: ( 0.25 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 5.380 -3.656 -6.796) 9.407 1.210 ( 5.380 3.656 -6.796) 9.407 1.382 ( -1.179 -15.198 4.449) 15.879 1.382 ( -1.179 15.198 4.449) 15.879 1.711 ( -1.471 -16.628 -3.821) 17.125 1.711 ( -1.471 16.628 -3.821) 17.125 1.828 ( 2.339 -4.129 2.275) 5.263 1.828 ( 2.339 4.129 2.275) 5.263 2.121 ( 2.175 -10.048 -8.657) 13.440 2.121 ( 2.175 10.048 -8.657) 13.440 2.266 ( -1.997 -4.730 2.293) 5.623 2.266 ( -1.997 4.730 2.293) 5.623 2.362 ( -1.016 -10.151 -2.169) 10.430 2.362 ( -1.016 10.151 -2.169) 10.430 2.458 ( -0.315 -3.198 -2.042) 3.808 2.458 ( -0.315 3.198 -2.042) 3.808 2.594 ( -3.397 -3.417 -4.892) 6.866 2.594 ( -3.397 3.417 -4.892) 6.866 2.700 ( 1.042 -4.616 1.386) 4.931 2.700 ( 1.042 4.616 1.386) 4.931 2.848 ( 3.564 -3.318 -0.947) 4.961 2.848 ( 3.564 3.318 -0.947) 4.961 2.956 ( 1.948 -2.346 4.699) 5.602 2.956 ( 1.948 2.346 4.699) 5.602 3.062 ( -1.011 -2.452 -4.695) 5.393 3.062 ( -1.011 2.452 -4.695) 5.393 3.183 ( -0.696 -9.573 0.815) 9.632 3.183 ( -0.696 9.573 0.815) 9.632 3.209 ( -6.067 -7.545 -2.935) 10.117 3.209 ( -6.067 7.545 -2.935) 10.117 3.315 ( 0.663 -5.422 0.350) 5.474 3.315 ( 0.663 5.422 0.350) 5.474 3.419 ( 3.207 -3.618 2.770) 5.572 3.419 ( 3.207 3.618 2.770) 5.572 3.510 ( 0.764 -0.777 3.704) 3.861 3.510 ( 0.764 0.777 3.704) 3.861 3.616 ( 3.902 -7.045 -3.200) 8.665 3.616 ( 3.902 7.045 -3.200) 8.665 3.931 ( -6.466 -2.552 6.035) 9.205 3.931 ( -6.466 2.552 6.035) 9.205 4.015 ( 0.496 -6.146 2.279) 6.574 4.015 ( 0.496 6.146 2.279) 6.574 4.116 ( 7.072 -6.964 6.804) 12.033 4.116 ( 7.072 6.964 6.804) 12.033 4.242 ( 1.660 -9.123 -4.363) 10.247 4.242 ( 1.660 9.123 -4.363) 10.247 4.434 ( -4.258 -8.137 -3.647) 9.881 4.434 ( -4.258 8.137 -3.647) 9.881 4.549 ( -12.017 -7.741 3.398) 14.693 4.549 ( -12.017 7.741 3.398) 14.693 4.640 ( 1.163 -1.923 1.412) 2.654 4.640 ( 1.163 1.923 1.412) 2.654 4.808 ( 2.611 -2.735 2.789) 4.699 4.808 ( 2.611 2.735 2.789) 4.699 4.915 ( -5.529 -5.558 -0.641) 7.866 4.915 ( -5.529 5.558 -0.641) 7.866 5.177 ( 1.072 -2.710 4.371) 5.254 5.177 ( 1.072 2.710 4.371) 5.254 5.270 ( -0.716 -5.955 -3.297) 6.844 5.270 ( -0.716 5.955 -3.297) 6.844 5.461 ( 0.336 -3.730 -9.476) 10.189 5.461 ( 0.336 3.730 -9.476) 10.189 5.642 ( -0.405 -4.433 -3.020) 5.379 5.642 ( -0.405 4.433 -3.020) 5.379 5.767 ( 3.648 -1.272 6.889) 7.899 5.767 ( 3.648 1.272 6.889) 7.899 6.026 ( -1.212 -2.807 0.100) 3.059 6.026 ( -1.212 2.807 0.100) 3.059 6.256 ( -0.639 -5.965 -0.648) 6.034 6.256 ( -0.639 5.965 -0.648) 6.034 6.523 ( 7.407 -1.264 8.591) 11.413 6.523 ( 7.407 1.264 8.591) 11.413 6.622 ( -1.572 -4.245 5.783) 7.344 6.622 ( -1.572 4.245 5.783) 7.344 7.044 ( -5.999 -1.885 -5.752) 8.522 7.044 ( -5.999 1.885 -5.752) 8.522 7.218 ( 1.387 -5.257 -3.249) 6.334 7.218 ( 1.387 5.257 -3.249) 6.334 7.671 ( -4.873 -1.322 0.150) 5.052 7.671 ( -4.873 1.322 0.150) 5.052 7.745 ( 8.188 -0.821 5.531) 9.916 7.745 ( 8.188 0.821 5.531) 9.916 7.926 ( 4.936 -12.433 -1.454) 13.455 7.926 ( 4.936 12.433 -1.454) 13.455 8.243 ( 0.654 -3.447 -10.814) 11.369 8.243 ( 0.654 3.447 -10.814) 11.369 8.456 ( -1.995 -2.518 0.414) 3.239 8.456 ( -1.995 2.518 0.414) 3.239 8.665 ( 8.184 -3.154 3.580) 9.473 8.665 ( 8.184 3.154 3.580) 9.473 9.004 ( -8.405 -6.294 -1.688) 10.635 9.004 ( -8.405 6.294 -1.688) 10.635 9.210 ( 1.560 -2.494 -0.402) 2.969 9.210 ( 1.560 2.494 -0.402) 2.969 9.542 ( 3.685 -3.888 -0.180) 5.360 9.542 ( 3.685 3.888 -0.180) 5.360 9.793 ( -0.860 -2.221 -3.923) 4.590 9.793 ( -0.860 2.221 -3.923) 4.590 9.879 ( -1.060 -2.623 -4.020) 4.915 9.879 ( -1.060 2.623 -4.020) 4.915 9.980 ( 0.863 -3.391 2.077) 4.069 9.980 ( 0.863 3.391 2.077) 4.069 10.094 ( -3.012 -2.015 1.505) 3.924 10.094 ( -3.012 2.015 1.505) 3.924 10.312 ( 0.027 -2.934 5.730) 6.438 10.312 ( 0.027 2.934 5.730) 6.438 10.442 ( -9.299 -4.049 3.786) 10.826 10.442 ( -9.299 4.049 3.786) 10.826 11.055 ( -0.955 -2.756 -0.413) 2.946 11.055 ( -0.955 2.756 -0.413) 2.946 11.442 ( 1.078 -6.794 0.242) 6.883 11.442 ( 1.078 6.794 0.242) 6.883 11.607 ( 1.769 -3.380 0.442) 3.841 11.607 ( 1.769 3.380 0.442) 3.841 11.736 ( 5.528 -3.704 3.737) 7.632 11.736 ( 5.528 3.704 3.737) 7.632 11.872 ( -0.182 -1.636 -0.362) 1.685 11.872 ( -0.182 1.636 -0.362) 1.685 12.115 ( -5.686 -2.793 -0.073) 6.336 12.115 ( -5.686 2.793 -0.073) 6.336 12.527 ( -1.525 -2.215 -0.422) 2.722 12.527 ( -1.525 2.215 -0.422) 2.722 12.801 ( -3.762 -10.774 -1.728) 11.541 12.801 ( -3.762 10.774 -1.728) 11.541 13.112 ( -0.205 -0.845 3.160) 3.277 13.112 ( -0.205 0.845 3.160) 3.277 13.286 ( 0.308 -0.361 -1.725) 1.789 13.286 ( 0.308 0.361 -1.725) 1.789 13.525 ( 3.179 -1.920 -5.677) 6.784 13.525 ( 3.179 1.920 -5.677) 6.784 13.742 ( 9.497 -4.611 -2.925) 10.955 13.742 ( 9.497 4.611 -2.925) 10.955 14.266 ( -3.753 -1.019 5.676) 6.880 14.266 ( -3.753 1.019 5.676) 6.880 14.335 ( -4.268 -0.909 2.015) 4.807 14.335 ( -4.268 0.909 2.015) 4.807 14.480 ( -0.853 -4.444 -0.627) 4.568 14.480 ( -0.853 4.444 -0.627) 4.568 14.792 ( 2.684 -3.104 -1.080) 4.243 14.792 ( 2.684 3.104 -1.080) 4.243 15.075 ( 5.414 -3.935 -4.944) 8.321 15.075 ( 5.414 3.935 -4.944) 8.321 15.509 ( 4.316 -3.295 -1.729) 5.698 15.509 ( 4.316 3.295 -1.729) 5.698 15.741 ( 2.358 -5.866 0.631) 6.353 15.741 ( 2.358 5.866 0.631) 6.353 16.872 ( -8.990 -1.750 -0.511) 9.173 16.872 ( -8.990 1.750 -0.511) 9.173 17.523 ( 6.278 -6.400 0.913) 9.011 17.523 ( 6.278 6.400 0.913) 9.011 18.416 ( -3.394 -8.593 -0.540) 9.254 18.416 ( -3.394 8.593 -0.540) 9.254 19.168 ( 4.136 -3.556 -0.122) 5.456 19.168 ( 4.136 3.556 -0.122) 5.456 19.775 ( 7.611 -7.403 -0.607) 10.635 19.775 ( 7.611 7.403 -0.607) 10.635 20.674 ( 5.661 -5.529 5.775) 9.796 20.674 ( 5.661 5.529 5.775) 9.796 21.258 ( -1.602 -3.206 -3.127) 4.757 21.258 ( -1.602 3.206 -3.127) 4.757 21.863 ( -9.588 -4.956 -3.222) 11.264 21.863 ( -9.588 4.956 -3.222) 11.264 22.058 ( 2.329 -2.483 3.992) 5.247 22.058 ( 2.329 2.483 3.992) 5.247 22.319 ( -5.170 -2.729 -1.815) 6.121 22.319 ( -5.170 2.729 -1.815) 6.121 22.436 ( -2.785 -1.665 -1.124) 3.434 22.436 ( -2.785 1.665 -1.124) 3.434 27.896 ( -1.011 -9.846 -3.099) 10.371 27.896 ( -1.011 9.846 -3.099) 10.371 28.158 ( -1.638 -7.001 -1.034) 7.264 28.158 ( -1.638 7.001 -1.034) 7.264 28.415 ( 0.585 -2.179 2.418) 3.307 28.415 ( 0.585 2.179 2.418) 3.307 28.658 ( -3.960 -2.004 1.296) 4.623 28.658 ( -3.960 2.004 1.296) 4.623 28.866 ( 1.627 -1.203 3.605) 4.134 28.866 ( 1.627 1.203 3.605) 4.134 29.195 ( 5.516 -7.783 3.486) 10.157 29.195 ( 5.516 7.783 3.486) 10.157 29.467 ( -0.194 -1.905 1.820) 2.641 29.467 ( -0.194 1.905 1.820) 2.641 29.581 ( -4.088 -0.437 -1.296) 4.310 29.581 ( -4.088 0.437 -1.296) 4.310 29.897 ( 1.902 -7.651 -2.475) 8.263 29.897 ( 1.902 7.651 -2.475) 8.263 30.191 ( 3.499 -0.607 0.318) 3.566 30.191 ( 3.499 0.607 0.318) 3.566 30.265 ( -2.892 -2.158 -0.590) 3.657 30.265 ( -2.892 2.158 -0.590) 3.657 30.803 ( -3.826 -12.835 -3.263) 13.785 30.803 ( -3.826 12.835 -3.263) 13.785 31.121 ( -0.243 -3.044 -0.911) 3.187 31.121 ( -0.243 3.044 -0.911) 3.187 31.244 ( 2.889 -1.202 0.863) 3.246 31.244 ( 2.889 1.202 0.863) 3.246 31.491 ( 2.667 -0.305 -4.226) 5.007 31.491 ( 2.667 0.305 -4.226) 5.007 31.715 ( -3.364 -2.649 -6.386) 7.689 31.715 ( -3.364 2.649 -6.386) 7.689 31.872 ( 1.385 -4.811 -0.790) 5.069 31.872 ( 1.385 4.811 -0.790) 5.069 32.151 ( -0.345 -6.212 12.705) 14.147 32.151 ( -0.345 6.212 12.705) 14.147 32.770 ( -4.288 -7.602 -0.410) 8.737 32.770 ( -4.288 7.602 -0.410) 8.737 33.191 ( 5.007 -7.077 -1.612) 8.818 33.191 ( 5.007 7.077 -1.612) 8.818 34.473 ( 1.710 -6.850 1.510) 7.220 34.473 ( 1.710 6.850 1.510) 7.220 ======================= Grid point 107 (59/63) ======================= q-point: ( 0.38 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -5.435 -7.826 1.039) 9.585 1.202 ( -5.435 7.826 1.039) 9.585 1.515 ( 6.674 -3.265 5.663) 9.342 1.515 ( 6.674 3.265 5.663) 9.342 1.674 ( -0.427 -11.658 -2.914) 12.024 1.674 ( -0.427 11.658 -2.914) 12.024 1.816 ( 3.096 -6.217 -1.209) 7.050 1.816 ( 3.096 6.217 -1.209) 7.050 2.067 ( -1.811 -6.994 0.986) 7.292 2.067 ( -1.811 6.994 0.986) 7.292 2.232 ( -2.590 -6.562 -6.098) 9.325 2.232 ( -2.590 6.562 -6.098) 9.325 2.341 ( 2.259 -3.570 -2.412) 4.865 2.341 ( 2.259 3.570 -2.412) 4.865 2.400 ( 0.720 -3.845 0.603) 3.958 2.400 ( 0.720 3.845 0.603) 3.958 2.565 ( 2.156 -1.800 0.237) 2.819 2.565 ( 2.156 1.800 0.237) 2.819 2.747 ( 1.359 -4.301 -1.452) 4.739 2.747 ( 1.359 4.301 -1.452) 4.739 2.877 ( -1.330 -2.175 -0.610) 2.622 2.877 ( -1.330 2.175 -0.610) 2.622 2.888 ( 0.389 -1.391 -2.917) 3.255 2.888 ( 0.389 1.391 -2.917) 3.255 3.049 ( -1.195 -1.602 -0.146) 2.004 3.049 ( -1.195 1.602 -0.146) 2.004 3.142 ( 2.279 -2.887 2.743) 4.588 3.142 ( 2.279 2.887 2.743) 4.588 3.258 ( -8.063 -5.585 -1.281) 9.892 3.258 ( -8.063 5.585 -1.281) 9.892 3.319 ( 6.589 -8.977 -0.140) 11.137 3.319 ( 6.589 8.977 -0.140) 11.137 3.437 ( -0.124 -1.621 -2.588) 3.056 3.437 ( -0.124 1.621 -2.588) 3.056 3.582 ( 0.271 -7.689 7.558) 10.785 3.582 ( 0.271 7.689 7.558) 10.785 3.675 ( 2.847 -8.272 -3.776) 9.528 3.675 ( 2.847 8.272 -3.776) 9.528 3.882 ( 1.539 -8.675 0.204) 8.813 3.882 ( 1.539 8.675 0.204) 8.813 4.007 ( -1.706 -7.774 -3.146) 8.558 4.007 ( -1.706 7.774 -3.146) 8.559 4.158 ( -0.672 -5.779 -6.337) 8.602 4.158 ( -0.672 5.779 -6.337) 8.602 4.232 ( 0.111 -11.160 -0.366) 11.166 4.232 ( 0.111 11.160 -0.366) 11.166 4.324 ( -4.045 -6.877 -1.054) 8.048 4.324 ( -4.045 6.877 -1.054) 8.048 4.533 ( -2.730 -2.507 5.940) 7.001 4.533 ( -2.730 2.507 5.940) 7.001 4.710 ( 0.293 -9.599 9.395) 13.435 4.710 ( 0.293 9.599 9.395) 13.435 4.799 ( -4.087 -2.983 -1.145) 5.188 4.799 ( -4.087 2.983 -1.145) 5.188 4.897 ( -1.878 -9.539 7.478) 12.266 4.897 ( -1.878 9.539 7.478) 12.266 5.204 ( -1.936 -6.644 -2.464) 7.346 5.204 ( -1.936 6.644 -2.464) 7.346 5.250 ( 4.239 -3.379 0.078) 5.421 5.250 ( 4.239 3.379 0.078) 5.421 5.436 ( 1.571 -5.785 3.479) 6.931 5.436 ( 1.571 5.785 3.479) 6.931 5.647 ( 2.151 -4.302 -0.159) 4.813 5.647 ( 2.151 4.302 -0.159) 4.813 5.869 ( 0.467 -1.590 3.455) 3.832 5.869 ( 0.467 1.590 3.455) 3.832 5.977 ( -0.047 -2.042 -4.279) 4.742 5.977 ( -0.047 2.042 -4.279) 4.742 6.210 ( -1.946 -4.322 -1.395) 4.941 6.210 ( -1.946 4.322 -1.395) 4.941 6.554 ( -1.731 -4.394 1.791) 5.051 6.554 ( -1.731 4.394 1.791) 5.051 6.795 ( -1.870 -4.027 2.616) 5.153 6.795 ( -1.870 4.027 2.616) 5.153 6.968 ( 1.717 -7.786 1.344) 8.085 6.968 ( 1.717 7.786 1.344) 8.085 7.187 ( 1.008 -4.540 0.301) 4.660 7.187 ( 1.008 4.540 0.301) 4.660 7.527 ( -4.405 -3.519 -4.772) 7.387 7.527 ( -4.405 3.519 -4.772) 7.387 7.830 ( -0.299 -8.581 -10.276) 13.391 7.830 ( -0.299 8.581 -10.276) 13.391 7.929 ( 3.432 -5.839 -1.046) 6.853 7.929 ( 3.432 5.839 -1.046) 6.853 8.261 ( 4.952 -5.577 -0.709) 7.492 8.261 ( 4.952 5.577 -0.709) 7.492 8.469 ( 3.961 -1.984 3.357) 5.559 8.469 ( 3.961 1.984 3.357) 5.559 8.789 ( 0.330 -4.657 3.055) 5.580 8.789 ( 0.330 4.657 3.055) 5.580 8.891 ( -6.234 -2.890 1.886) 7.125 8.891 ( -6.234 2.890 1.886) 7.125 9.245 ( 6.074 -6.977 -3.310) 9.825 9.245 ( 6.074 6.977 -3.310) 9.825 9.525 ( -0.144 -1.626 -3.858) 4.189 9.525 ( -0.144 1.626 -3.858) 4.189 9.695 ( -2.187 -4.644 -3.730) 6.346 9.695 ( -2.187 4.644 -3.730) 6.346 9.917 ( 1.872 -6.191 1.649) 6.675 9.917 ( 1.872 6.191 1.649) 6.675 9.999 ( -0.267 -5.060 2.089) 5.481 9.999 ( -0.267 5.060 2.089) 5.481 10.083 ( -0.787 -3.946 1.730) 4.380 10.083 ( -0.787 3.946 1.730) 4.380 10.303 ( -6.856 -3.024 1.447) 7.632 10.303 ( -6.856 3.024 1.447) 7.632 10.409 ( -2.671 -1.448 4.503) 5.432 10.409 ( -2.671 1.448 4.503) 5.432 11.058 ( 1.893 -4.057 -0.122) 4.479 11.058 ( 1.893 4.057 -0.122) 4.479 11.413 ( -3.194 -4.469 -0.609) 5.527 11.413 ( -3.194 4.469 -0.609) 5.527 11.635 ( 1.784 -3.235 0.332) 3.709 11.635 ( 1.784 3.235 0.332) 3.709 11.776 ( -1.082 -6.439 -0.230) 6.534 11.776 ( -1.082 6.439 -0.230) 6.534 11.932 ( 2.686 -3.355 4.926) 6.538 11.932 ( 2.686 3.355 4.926) 6.538 12.157 ( 4.671 -4.129 5.875) 8.567 12.157 ( 4.671 4.129 5.875) 8.567 12.416 ( -6.740 -7.492 -6.323) 11.897 12.416 ( -6.740 7.492 -6.323) 11.897 12.752 ( -1.428 -5.327 -2.222) 5.946 12.752 ( -1.428 5.327 -2.222) 5.946 13.091 ( -2.476 -2.607 0.286) 3.607 13.091 ( -2.476 2.607 0.286) 3.607 13.290 ( 1.005 -2.320 -0.429) 2.564 13.290 ( 1.005 2.320 -0.429) 2.564 13.463 ( 0.881 -1.615 -9.360) 9.539 13.463 ( 0.881 1.615 -9.360) 9.539 13.859 ( 7.824 -2.382 0.612) 8.201 13.859 ( 7.824 2.382 0.612) 8.201 14.239 ( -5.907 -0.813 2.245) 6.371 14.239 ( -5.907 0.813 2.245) 6.371 14.360 ( -0.104 -2.311 5.532) 5.996 14.360 ( -0.104 2.311 5.532) 5.996 14.494 ( 0.966 -2.017 2.843) 3.617 14.494 ( 0.966 2.017 2.843) 3.617 14.797 ( 1.947 -6.163 -3.251) 7.235 14.797 ( 1.947 6.163 -3.251) 7.235 15.118 ( 4.479 -3.260 -0.515) 5.564 15.118 ( 4.479 3.260 -0.515) 5.564 15.558 ( 3.291 -2.447 -0.664) 4.154 15.558 ( 3.291 2.447 -0.664) 4.154 15.753 ( 1.796 -3.940 -3.416) 5.515 15.753 ( 1.796 3.940 -3.416) 5.515 16.740 ( -6.568 -1.830 -1.678) 7.022 16.740 ( -6.568 1.830 -1.678) 7.022 17.610 ( 3.790 -4.986 1.002) 6.342 17.610 ( 3.790 4.986 1.002) 6.342 18.321 ( -5.041 -9.955 -3.193) 11.606 18.321 ( -5.041 9.955 -3.193) 11.606 19.288 ( 6.917 -5.380 5.267) 10.224 19.288 ( 6.917 5.380 5.267) 10.224 19.862 ( 4.643 -4.999 -1.765) 7.047 19.862 ( 4.643 4.999 -1.765) 7.047 20.781 ( 1.137 -5.068 2.082) 5.596 20.781 ( 1.137 5.068 2.082) 5.596 21.262 ( 2.850 -1.790 2.881) 4.430 21.262 ( 2.850 1.790 2.881) 4.430 21.713 ( -5.016 -3.853 -1.508) 6.502 21.713 ( -5.016 3.853 -1.508) 6.502 22.100 ( -3.224 -3.782 1.101) 5.090 22.100 ( -3.224 3.782 1.101) 5.090 22.217 ( -1.770 -2.075 -3.824) 4.697 22.217 ( -1.770 2.075 -3.824) 4.697 22.396 ( -1.523 -0.699 -0.132) 1.681 22.396 ( -1.523 0.699 -0.132) 1.681 27.856 ( 0.003 -9.344 -2.297) 9.622 27.856 ( 0.003 9.344 -2.297) 9.622 28.087 ( -2.867 -6.491 -3.617) 7.965 28.087 ( -2.867 6.491 -3.617) 7.965 28.491 ( 2.622 -2.481 4.933) 6.113 28.491 ( 2.622 2.481 4.933) 6.113 28.629 ( -2.489 -2.304 1.582) 3.742 28.629 ( -2.489 2.304 1.582) 3.742 28.946 ( 1.888 -2.333 5.350) 6.135 28.946 ( 1.888 2.333 5.350) 6.135 29.214 ( -1.920 -3.551 -3.233) 5.171 29.214 ( -1.920 3.551 -3.233) 5.171 29.485 ( -2.688 -4.923 1.940) 5.935 29.485 ( -2.688 4.923 1.940) 5.935 29.606 ( 3.789 -3.757 6.493) 8.404 29.606 ( 3.789 3.757 6.493) 8.404 29.882 ( 1.673 -5.547 -4.946) 7.618 29.882 ( 1.673 5.547 -4.946) 7.618 30.198 ( -1.922 -2.039 -0.503) 2.847 30.198 ( -1.922 2.039 -0.503) 2.847 30.228 ( -1.009 -1.964 0.367) 2.238 30.228 ( -1.009 1.964 0.367) 2.238 30.756 ( 3.660 -5.676 -3.204) 7.475 30.756 ( 3.660 5.676 -3.204) 7.475 31.078 ( -2.613 -3.533 -4.148) 6.043 31.078 ( -2.613 3.533 -4.148) 6.043 31.290 ( 1.961 -0.926 0.266) 2.185 31.290 ( 1.961 0.926 0.266) 2.185 31.443 ( -1.830 -0.829 -6.139) 6.459 31.443 ( -1.830 0.829 -6.139) 6.459 31.665 ( 3.557 -4.045 0.158) 5.389 31.665 ( 3.557 4.045 0.158) 5.389 31.855 ( -2.593 -3.652 -0.606) 4.519 31.855 ( -2.593 3.652 -0.606) 4.519 32.313 ( 1.081 -3.563 12.385) 12.932 32.313 ( 1.081 3.563 12.385) 12.932 32.712 ( -2.577 -6.410 -1.000) 6.980 32.712 ( -2.577 6.410 -1.000) 6.980 33.215 ( 2.035 -2.769 -2.638) 4.333 33.215 ( 2.035 2.769 -2.638) 4.333 34.499 ( 0.298 -5.896 0.134) 5.905 34.499 ( 0.298 5.896 0.134) 5.905 ======================= Grid point 109 (60/63) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -1.683 -5.155 1.739) 5.695 1.139 ( -1.683 5.155 1.739) 5.695 1.468 ( -3.839 -3.608 -1.151) 5.393 1.468 ( -3.839 3.608 -1.151) 5.393 1.791 ( 4.689 -6.039 4.951) 9.109 1.791 ( 4.689 6.039 4.951) 9.109 1.902 ( -1.852 -10.484 6.986) 12.734 1.902 ( -1.852 10.484 6.986) 12.734 2.083 ( 1.767 -8.660 -2.318) 9.137 2.083 ( 1.767 8.660 -2.318) 9.137 2.124 ( -0.821 -9.093 -6.093) 10.977 2.124 ( -0.821 9.093 -6.093) 10.977 2.348 ( 1.189 -3.410 -2.583) 4.440 2.348 ( 1.189 3.410 -2.583) 4.440 2.446 ( 0.371 -2.170 1.848) 2.874 2.446 ( 0.371 2.170 1.848) 2.874 2.589 ( -0.216 -3.998 3.172) 5.108 2.589 ( -0.216 3.998 3.172) 5.108 2.692 ( -0.633 -7.510 -4.651) 8.856 2.692 ( -0.633 7.510 -4.651) 8.856 2.893 ( 6.385 -1.439 0.421) 6.558 2.893 ( 6.385 1.439 0.421) 6.558 2.909 ( -3.255 -1.854 -0.703) 3.811 2.909 ( -3.255 1.854 -0.703) 3.811 3.032 ( -0.187 -1.941 0.155) 1.956 3.032 ( -0.187 1.941 0.155) 1.956 3.107 ( -1.655 -1.694 -1.543) 2.827 3.107 ( -1.655 1.694 -1.543) 2.827 3.241 ( 1.478 -2.193 1.037) 2.840 3.241 ( 1.478 2.193 1.037) 2.840 3.340 ( -0.464 -6.170 -1.387) 6.341 3.340 ( -0.464 6.170 -1.387) 6.341 3.406 ( 0.772 -3.193 -3.058) 4.488 3.406 ( 0.772 3.193 -3.058) 4.488 3.601 ( -1.973 -5.140 -4.420) 7.061 3.601 ( -1.973 5.140 -4.420) 7.061 3.628 ( -1.853 -7.475 3.729) 8.557 3.628 ( -1.853 7.475 3.729) 8.557 3.896 ( -3.489 -8.807 -2.113) 9.705 3.896 ( -3.489 8.807 -2.113) 9.705 3.964 ( 0.022 -5.909 1.610) 6.125 3.964 ( 0.022 5.909 1.610) 6.125 4.068 ( 4.474 -6.923 -6.963) 10.790 4.068 ( 4.474 6.923 -6.963) 10.790 4.242 ( -0.863 -1.684 -0.443) 1.944 4.242 ( -0.863 1.684 -0.443) 1.944 4.347 ( 0.125 -1.844 2.310) 2.958 4.347 ( 0.125 1.844 2.310) 2.958 4.526 ( 0.353 -1.533 2.332) 2.813 4.526 ( 0.353 1.533 2.332) 2.813 4.706 ( -0.515 -4.962 -2.378) 5.527 4.706 ( -0.515 4.962 -2.378) 5.527 4.894 ( 1.961 -3.109 11.755) 12.316 4.894 ( 1.961 3.109 11.755) 12.316 4.976 ( -1.014 -7.361 7.512) 10.566 4.976 ( -1.014 7.361 7.512) 10.566 5.100 ( -3.115 -6.904 -5.612) 9.427 5.100 ( -3.115 6.904 -5.612) 9.427 5.329 ( 2.126 -3.687 0.014) 4.256 5.329 ( 2.126 3.687 0.014) 4.256 5.517 ( 0.706 -5.803 5.899) 8.305 5.517 ( 0.706 5.803 5.899) 8.305 5.675 ( 0.676 -3.402 -1.475) 3.769 5.675 ( 0.676 3.402 -1.475) 3.769 5.882 ( -1.576 -1.282 3.410) 3.969 5.882 ( -1.576 1.282 3.410) 3.969 5.953 ( 1.755 -0.678 -1.963) 2.719 5.953 ( 1.755 0.678 -1.963) 2.719 6.209 ( 1.090 -0.575 3.373) 3.591 6.209 ( 1.090 0.575 3.373) 3.591 6.470 ( -1.298 -2.563 -12.939) 13.254 6.470 ( -1.298 2.563 -12.939) 13.254 6.847 ( 1.163 -1.793 7.593) 7.888 6.847 ( 1.163 1.793 7.593) 7.888 6.905 ( -0.590 -4.591 1.326) 4.815 6.905 ( -0.590 4.591 1.326) 4.815 7.164 ( -4.104 -1.028 -12.969) 13.642 7.164 ( -4.104 1.028 -12.969) 13.642 7.545 ( 5.315 -6.710 10.217) 13.329 7.545 ( 5.315 6.710 10.217) 13.329 7.782 ( -1.513 -7.953 -2.592) 8.501 7.782 ( -1.513 7.953 -2.592) 8.501 7.906 ( -0.119 -2.998 -5.034) 5.860 7.906 ( -0.119 2.998 -5.034) 5.860 8.235 ( -0.900 -3.259 -1.874) 3.866 8.235 ( -0.900 3.259 -1.874) 3.866 8.556 ( -2.614 -3.782 3.603) 5.841 8.556 ( -2.614 3.782 3.603) 5.841 8.792 ( -0.757 -3.319 -0.833) 3.505 8.792 ( -0.757 3.319 -0.833) 3.505 8.890 ( 1.944 -0.972 3.404) 4.039 8.890 ( 1.944 0.972 3.404) 4.039 9.255 ( 1.758 -4.423 -5.171) 7.028 9.255 ( 1.758 4.423 -5.171) 7.028 9.506 ( 1.109 -1.918 -2.253) 3.160 9.506 ( 1.109 1.918 -2.253) 3.160 9.658 ( -1.325 -0.667 1.519) 2.123 9.658 ( -1.325 0.667 1.519) 2.123 9.917 ( 0.352 -3.110 -1.034) 3.296 9.917 ( 0.352 3.110 -1.034) 3.296 10.036 ( 0.467 -0.962 2.424) 2.649 10.036 ( 0.467 0.962 2.424) 2.649 10.143 ( 4.621 -2.870 2.306) 5.909 10.143 ( 4.621 2.870 2.306) 5.909 10.198 ( -5.933 -0.786 -0.906) 6.053 10.198 ( -5.933 0.786 -0.906) 6.053 10.425 ( -0.654 -0.952 2.459) 2.717 10.425 ( -0.654 0.952 2.459) 2.717 11.080 ( -0.270 -4.045 0.430) 4.077 11.080 ( -0.270 4.045 0.430) 4.077 11.380 ( 0.243 -0.573 -0.265) 0.676 11.380 ( 0.243 0.573 -0.265) 0.676 11.675 ( 1.555 -1.941 2.031) 3.210 11.675 ( 1.555 1.941 2.031) 3.210 11.731 ( -1.332 -3.923 -3.125) 5.189 11.731 ( -1.332 3.923 -3.125) 5.189 12.072 ( 4.503 -8.483 7.059) 11.919 12.072 ( 4.503 8.483 7.059) 11.919 12.165 ( -6.674 -9.734 -1.917) 11.957 12.165 ( -6.674 9.734 -1.917) 11.957 12.348 ( 3.270 -2.674 -1.073) 4.358 12.348 ( 3.270 2.674 -1.073) 4.358 12.691 ( -0.782 -3.652 -3.351) 5.018 12.691 ( -0.782 3.652 -3.351) 5.018 13.086 ( -4.386 -3.818 7.226) 9.275 13.086 ( -4.386 3.818 7.226) 9.275 13.275 ( 3.618 -3.849 -8.141) 9.705 13.275 ( 3.618 3.849 -8.141) 9.705 13.379 ( 0.005 -0.715 -3.891) 3.956 13.379 ( 0.005 0.715 -3.891) 3.956 13.955 ( 1.450 -0.868 0.845) 1.889 13.955 ( 1.450 0.868 0.845) 1.889 14.187 ( -1.208 -1.108 0.802) 1.825 14.187 ( -1.208 1.108 0.802) 1.825 14.413 ( 0.225 -1.420 3.014) 3.339 14.413 ( 0.225 1.420 3.014) 3.339 14.541 ( -0.080 -3.461 2.484) 4.261 14.541 ( -0.080 3.461 2.484) 4.261 14.788 ( 0.548 -5.403 -1.703) 5.692 14.788 ( 0.548 5.403 -1.703) 5.692 15.167 ( 2.178 -2.330 -0.817) 3.292 15.167 ( 2.178 2.330 -0.817) 3.292 15.581 ( 0.353 -0.407 0.046) 0.541 15.581 ( 0.353 0.407 0.046) 0.541 15.717 ( -1.680 -0.556 -2.490) 3.055 15.717 ( -1.680 0.556 -2.490) 3.055 16.665 ( -0.361 -1.014 -1.089) 1.531 16.665 ( -0.361 1.014 -1.089) 1.531 17.649 ( -0.104 -2.536 0.570) 2.602 17.649 ( -0.104 2.536 0.570) 2.602 18.240 ( -0.610 -3.678 -1.756) 4.121 18.240 ( -0.610 3.678 -1.756) 4.121 19.433 ( 2.058 -2.075 4.176) 5.097 19.433 ( 2.058 2.075 4.176) 5.097 19.858 ( -0.749 -2.040 -2.135) 3.046 19.858 ( -0.749 2.040 -2.135) 3.046 20.774 ( -2.401 -0.566 0.451) 2.507 20.774 ( -2.401 0.566 0.451) 2.507 21.369 ( 3.012 -1.950 4.795) 5.989 21.369 ( 3.012 1.950 4.795) 5.989 21.672 ( 0.777 -1.725 -3.156) 3.680 21.672 ( 0.777 1.725 -3.156) 3.680 22.026 ( -3.218 -2.135 1.524) 4.152 22.026 ( -3.218 2.135 1.524) 4.152 22.188 ( 1.178 -0.625 -3.209) 3.475 22.188 ( 1.178 0.625 -3.209) 3.475 22.388 ( 0.331 -0.192 0.136) 0.407 22.388 ( 0.331 0.192 0.136) 0.407 27.837 ( -0.684 -2.037 -0.655) 2.247 27.837 ( -0.684 2.037 -0.655) 2.247 28.024 ( -0.299 -1.637 -1.920) 2.541 28.024 ( -0.299 1.637 -1.920) 2.541 28.580 ( 2.393 -3.037 2.793) 4.770 28.580 ( 2.393 3.037 2.793) 4.770 28.614 ( -0.897 -2.578 0.098) 2.731 28.614 ( -0.897 2.578 0.098) 2.731 29.042 ( 2.043 -4.313 5.534) 7.308 29.042 ( 2.043 4.313 5.534) 7.308 29.127 ( -3.350 -3.764 -3.481) 6.125 29.127 ( -3.350 3.764 -3.481) 6.125 29.470 ( -1.785 -2.975 2.093) 4.052 29.470 ( -1.785 2.975 2.093) 4.052 29.730 ( 2.465 -3.404 4.088) 5.863 29.730 ( 2.465 3.404 4.088) 5.863 29.831 ( -0.149 -0.973 -4.852) 4.951 29.831 ( -0.149 0.973 -4.852) 4.951 30.191 ( -0.344 -3.721 0.807) 3.823 30.191 ( -0.344 3.721 0.807) 3.823 30.213 ( 0.887 -4.230 -1.015) 4.440 30.213 ( 0.887 4.230 -1.015) 4.440 30.812 ( 0.523 -0.923 2.671) 2.874 30.812 ( 0.523 0.923 2.671) 2.874 30.946 ( -3.065 -2.468 -6.085) 7.247 30.946 ( -3.065 2.468 -6.085) 7.247 31.317 ( 2.351 -0.700 -1.169) 2.717 31.317 ( 2.351 0.700 -1.169) 2.717 31.366 ( -0.028 -1.525 -3.117) 3.470 31.366 ( -0.028 1.525 -3.117) 3.470 31.738 ( 2.083 -2.413 0.181) 3.193 31.738 ( 2.083 2.413 0.181) 3.193 31.804 ( -1.964 -2.756 0.659) 3.448 31.804 ( -1.964 2.756 0.659) 3.448 32.450 ( 0.469 -1.228 7.732) 7.843 32.450 ( 0.469 1.228 7.732) 7.843 32.669 ( -1.066 -4.193 -1.410) 4.550 32.669 ( -1.066 4.193 -1.410) 4.550 33.203 ( 0.515 -2.013 -2.130) 2.976 33.203 ( 0.515 2.013 -2.130) 2.976 34.495 ( -0.372 -1.408 -0.126) 1.462 34.495 ( -0.372 1.408 -0.126) 1.462 ======================= Grid point 111 (61/63) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 7.539 -4.387 1.469) 8.845 1.223 ( 7.539 4.387 1.469) 8.845 1.516 ( 1.051 -2.160 4.065) 4.721 1.516 ( 1.051 2.160 4.065) 4.721 1.652 ( -14.293 -8.477 -2.845) 16.859 1.652 ( -14.293 8.477 -2.845) 16.859 1.937 ( -6.474 -14.602 -8.594) 18.138 1.937 ( -6.474 14.602 -8.594) 18.138 2.044 ( 4.463 -9.736 7.868) 13.290 2.044 ( 4.463 9.736 7.868) 13.290 2.122 ( 3.455 -3.516 0.689) 4.977 2.122 ( 3.455 3.516 0.689) 4.977 2.312 ( -0.447 -2.928 -1.701) 3.416 2.312 ( -0.447 2.928 -1.701) 3.416 2.460 ( -0.727 -2.322 -3.107) 3.946 2.460 ( -0.727 2.322 -3.107) 3.946 2.568 ( -4.320 -6.780 0.643) 8.065 2.568 ( -4.320 6.780 0.643) 8.065 2.721 ( 2.434 -6.906 -0.053) 7.323 2.721 ( 2.434 6.906 -0.053) 7.323 2.809 ( -2.455 -1.176 2.706) 3.839 2.809 ( -2.455 1.176 2.706) 3.839 2.918 ( -2.176 -1.957 -2.087) 3.594 2.918 ( -2.176 1.957 -2.087) 3.594 3.064 ( -0.734 -3.176 -2.951) 4.397 3.064 ( -0.734 3.176 -2.951) 4.397 3.164 ( 3.122 -2.703 2.437) 4.795 3.164 ( 3.122 2.703 2.437) 4.795 3.216 ( 1.883 -2.831 0.312) 3.414 3.216 ( 1.883 2.831 0.312) 3.414 3.319 ( 0.173 -4.808 -0.525) 4.840 3.319 ( 0.173 4.808 -0.525) 4.840 3.381 ( -1.158 -4.521 1.566) 4.923 3.381 ( -1.158 4.521 1.566) 4.923 3.584 ( -1.139 -7.319 2.526) 7.826 3.584 ( -1.139 7.319 2.526) 7.826 3.667 ( 1.508 -8.113 1.509) 8.389 3.667 ( 1.508 8.113 1.509) 8.389 3.850 ( -5.667 -4.855 -2.308) 7.811 3.850 ( -5.667 4.855 -2.308) 7.811 4.006 ( 5.591 -1.591 5.926) 8.301 4.006 ( 5.591 1.591 5.926) 8.301 4.057 ( 2.429 -3.816 -3.833) 5.929 4.057 ( 2.429 3.816 -3.833) 5.929 4.202 ( -1.974 -6.767 2.135) 7.365 4.202 ( -1.974 6.767 2.135) 7.365 4.340 ( -0.551 -8.471 -0.849) 8.531 4.340 ( -0.551 8.471 -0.849) 8.531 4.616 ( 6.421 -4.781 -1.676) 8.179 4.616 ( 6.421 4.781 -1.676) 8.179 4.717 ( 1.998 -3.936 1.490) 4.658 4.717 ( 1.998 3.936 1.490) 4.658 4.893 ( -2.626 -3.901 -2.036) 5.124 4.893 ( -2.626 3.901 -2.036) 5.124 5.044 ( 1.927 -4.844 -4.027) 6.587 5.044 ( 1.927 4.844 -4.027) 6.587 5.119 ( 3.840 -5.702 5.350) 8.711 5.119 ( 3.840 5.702 5.350) 8.711 5.282 ( -3.947 -1.560 -3.717) 5.642 5.282 ( -3.947 1.560 -3.717) 5.642 5.577 ( 2.324 -1.153 -3.770) 4.577 5.577 ( 2.324 1.153 -3.770) 4.577 5.627 ( -3.680 -7.902 1.993) 8.942 5.627 ( -3.680 7.902 1.993) 8.942 5.906 ( 0.128 -0.895 0.971) 1.327 5.906 ( 0.128 0.895 0.971) 1.327 5.944 ( 0.420 -3.735 -2.924) 4.761 5.944 ( 0.420 3.735 -2.924) 4.761 6.225 ( -1.899 -3.146 -6.631) 7.582 6.225 ( -1.899 3.146 -6.631) 7.582 6.421 ( 4.091 -3.525 11.447) 12.657 6.421 ( 4.091 3.525 11.447) 12.657 6.854 ( -2.332 -2.955 -4.419) 5.805 6.854 ( -2.332 2.955 -4.419) 5.805 6.977 ( 4.701 -1.902 -1.592) 5.316 6.977 ( 4.701 1.902 -1.592) 5.316 7.152 ( 6.252 -3.101 9.977) 12.175 7.152 ( 6.252 3.101 9.977) 12.175 7.527 ( -6.498 -5.199 -9.328) 12.500 7.527 ( -6.498 5.199 -9.328) 12.500 7.734 ( -2.104 -3.029 3.716) 5.236 7.734 ( -2.104 3.029 3.716) 5.236 7.894 ( -0.537 -5.924 0.600) 5.978 7.894 ( -0.537 5.924 0.600) 5.978 8.241 ( -1.027 -4.819 0.954) 5.018 8.241 ( -1.027 4.819 0.954) 5.018 8.498 ( -6.486 -3.799 2.409) 7.893 8.498 ( -6.486 3.799 2.409) 7.893 8.803 ( 0.134 -1.994 1.666) 2.602 8.803 ( 0.134 1.994 1.666) 2.602 8.941 ( 4.779 -1.984 -3.189) 6.078 8.941 ( 4.779 1.984 -3.189) 6.078 9.192 ( -4.090 -5.500 -0.719) 6.891 9.192 ( -4.090 5.500 -0.719) 6.891 9.499 ( 0.691 -3.287 -0.795) 3.451 9.499 ( 0.691 3.287 -0.795) 3.451 9.663 ( -0.467 -1.441 1.248) 1.963 9.663 ( -0.467 1.441 1.248) 1.963 9.935 ( 1.604 -4.392 -0.859) 4.754 9.935 ( 1.604 4.392 -0.859) 4.754 10.038 ( -1.969 -2.556 -1.407) 3.520 10.038 ( -1.969 2.556 -1.407) 3.520 10.101 ( -0.822 -2.126 -0.638) 2.367 10.101 ( -0.822 2.126 -0.638) 2.367 10.294 ( 7.939 -0.927 2.691) 8.433 10.294 ( 7.939 0.927 2.691) 8.433 10.454 ( 2.525 -0.496 0.198) 2.580 10.454 ( 2.525 0.496 0.198) 2.580 11.057 ( -2.534 -2.465 0.253) 3.544 11.057 ( -2.534 2.465 0.253) 3.544 11.406 ( 2.497 -1.771 0.023) 3.062 11.406 ( 2.497 1.771 0.023) 3.062 11.655 ( -2.203 -2.981 -1.742) 4.095 11.655 ( -2.203 2.981 -1.742) 4.095 11.747 ( 2.370 -2.596 1.702) 3.905 11.747 ( 2.370 2.596 1.702) 3.905 12.006 ( -5.860 -5.880 -1.828) 8.501 12.006 ( -5.860 5.880 -1.828) 8.501 12.265 ( -5.075 -5.047 1.698) 7.356 12.265 ( -5.075 5.047 1.698) 7.356 12.322 ( 10.896 -10.286 -2.478) 15.188 12.322 ( 10.896 10.286 -2.478) 15.188 12.692 ( 1.159 -3.709 2.215) 4.473 12.692 ( 1.159 3.709 2.215) 4.473 13.111 ( -3.375 -3.675 4.679) 6.840 13.111 ( -3.375 3.675 4.679) 6.840 13.253 ( 4.547 -4.094 -3.528) 7.063 13.253 ( 4.547 4.094 -3.528) 7.063 13.368 ( 0.325 -0.514 0.733) 0.952 13.368 ( 0.325 0.514 0.733) 0.952 13.887 ( -7.836 -0.850 -1.878) 8.102 13.887 ( -7.836 0.850 -1.878) 8.102 14.248 ( 5.877 -2.847 1.098) 6.622 14.248 ( 5.877 2.847 1.098) 6.622 14.433 ( 0.835 -1.236 -1.285) 1.969 14.433 ( 0.835 1.236 -1.285) 1.969 14.547 ( -0.889 -1.805 -0.141) 2.016 14.547 ( -0.889 1.805 -0.141) 2.016 14.752 ( -3.494 -1.284 -0.682) 3.784 14.752 ( -3.494 1.284 -0.682) 3.784 15.141 ( -2.699 -1.900 -3.135) 4.553 15.141 ( -2.699 1.900 -3.135) 4.553 15.559 ( -3.322 -1.717 -0.640) 3.794 15.559 ( -3.322 1.717 -0.640) 3.794 15.679 ( -2.804 -3.452 3.524) 5.674 15.679 ( -2.804 3.452 3.524) 5.674 16.713 ( 6.602 -1.540 0.753) 6.821 16.713 ( 6.602 1.540 0.753) 6.821 17.620 ( -3.959 -2.051 0.052) 4.459 17.620 ( -3.959 2.051 0.052) 4.459 18.274 ( 4.992 -6.256 1.256) 8.102 18.274 ( 4.992 6.256 1.256) 8.102 19.383 ( -7.996 -3.867 -3.534) 9.560 19.383 ( -7.996 3.867 -3.534) 9.560 19.833 ( -2.608 -2.566 0.960) 3.782 19.833 ( -2.608 2.566 0.960) 3.782 20.762 ( -1.773 -6.872 3.478) 7.903 20.762 ( -1.773 6.872 3.478) 7.903 21.364 ( -4.143 -0.841 -6.094) 7.417 21.364 ( -4.143 0.841 -6.094) 7.417 21.676 ( 4.259 -4.667 1.498) 6.493 21.676 ( 4.259 4.667 1.498) 6.493 22.104 ( 6.590 -2.555 4.330) 8.289 22.104 ( 6.590 2.555 4.330) 8.289 22.158 ( -0.483 -3.312 -2.115) 3.959 22.158 ( -0.483 3.312 -2.115) 3.959 22.404 ( 1.961 -0.744 -0.567) 2.172 22.404 ( 1.961 0.744 -0.567) 2.172 27.817 ( -2.128 -8.208 1.339) 8.584 27.817 ( -2.128 8.208 1.339) 8.584 28.042 ( 3.200 -6.167 0.833) 6.998 28.042 ( 3.200 6.167 0.833) 6.998 28.576 ( -0.658 -3.248 -3.090) 4.531 28.576 ( -0.658 3.248 -3.090) 4.531 28.645 ( 2.822 -3.192 0.110) 4.262 28.645 ( 2.822 3.192 0.110) 4.262 29.030 ( -3.678 -4.031 -3.422) 6.441 29.030 ( -3.678 4.031 -3.422) 6.441 29.140 ( 2.307 -3.714 4.753) 6.458 29.140 ( 2.307 3.714 4.753) 6.458 29.492 ( 1.008 -2.210 2.451) 3.451 29.492 ( 1.008 2.210 2.451) 3.451 29.734 ( -1.759 -3.482 -5.755) 6.953 29.734 ( -1.759 3.482 -5.755) 6.953 29.799 ( -0.639 -1.626 1.956) 2.623 29.799 ( -0.639 1.626 1.956) 2.623 30.188 ( 0.984 -1.168 0.359) 1.569 30.188 ( 0.984 1.168 0.359) 1.569 30.239 ( 1.504 -4.366 -0.835) 4.692 30.239 ( 1.504 4.366 -0.835) 4.692 30.715 ( -8.712 -5.662 0.972) 10.436 30.715 ( -8.712 5.662 0.972) 10.436 30.989 ( 4.234 -5.840 3.601) 8.063 30.989 ( 4.234 5.840 3.601) 8.063 31.311 ( -0.497 -2.844 -2.439) 3.779 31.311 ( -0.497 2.844 -2.439) 3.779 31.386 ( 4.937 -1.774 0.210) 5.251 31.386 ( 4.937 1.774 0.210) 5.251 31.683 ( -4.921 -2.773 -1.261) 5.787 31.683 ( -4.921 2.773 -1.261) 5.787 31.845 ( 2.666 -2.217 0.801) 3.559 31.845 ( 2.666 2.217 0.801) 3.559 32.476 ( -1.121 -0.599 -3.049) 3.304 32.476 ( -1.121 0.599 -3.049) 3.304 32.673 ( 1.211 -0.890 2.461) 2.884 32.673 ( 1.211 0.890 2.461) 2.884 33.186 ( -0.833 -4.831 -0.304) 4.911 33.186 ( -0.833 4.831 -0.304) 4.911 34.495 ( 0.058 -4.748 0.528) 4.778 34.495 ( 0.058 4.748 0.528) 4.778 ======================= Grid point 113 (62/63) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -16.735 -8.908 -1.553) 19.022 1.137 ( -16.735 8.908 -1.553) 19.022 1.439 ( 3.115 -12.207 0.791) 12.623 1.439 ( 3.115 12.207 0.791) 12.623 1.680 ( -1.947 -19.368 -0.902) 19.487 1.680 ( -1.947 19.368 -0.902) 19.487 1.811 ( 0.107 -6.891 1.817) 7.127 1.811 ( 0.107 6.891 1.817) 7.127 2.077 ( -3.489 -3.854 -2.184) 5.639 2.077 ( -3.489 3.854 -2.184) 5.639 2.248 ( 4.555 -12.590 4.366) 14.083 2.248 ( 4.555 12.590 4.366) 14.083 2.313 ( 1.020 -7.267 1.304) 7.453 2.313 ( 1.020 7.267 1.304) 7.453 2.448 ( 4.282 -2.585 -1.251) 5.156 2.448 ( 4.282 2.585 -1.251) 5.156 2.527 ( -0.062 -2.467 2.604) 3.587 2.527 ( -0.062 2.467 2.604) 3.587 2.703 ( -2.044 -6.714 1.124) 7.108 2.703 ( -2.044 6.714 1.124) 7.108 2.833 ( -4.411 -3.429 -0.969) 5.671 2.833 ( -4.411 3.429 -0.969) 5.671 2.916 ( 3.029 -2.919 5.159) 6.657 2.916 ( 3.029 2.919 5.159) 6.657 3.026 ( -1.663 -7.376 1.488) 7.707 3.026 ( -1.663 7.376 1.488) 7.707 3.176 ( -6.108 -8.296 1.797) 10.458 3.176 ( -6.108 8.296 1.797) 10.458 3.213 ( 3.595 -4.102 -1.694) 5.712 3.213 ( 3.595 4.102 -1.694) 5.712 3.331 ( -0.662 -6.945 -1.189) 7.077 3.331 ( -0.662 6.945 -1.189) 7.077 3.403 ( -2.723 -4.695 3.100) 6.250 3.403 ( -2.723 4.695 3.100) 6.250 3.577 ( 0.401 -8.606 0.990) 8.672 3.577 ( 0.401 8.606 0.990) 8.672 3.620 ( -3.311 -0.549 -7.091) 7.845 3.620 ( -3.311 0.549 -7.091) 7.845 3.836 ( 1.413 -7.740 7.458) 10.841 3.836 ( 1.413 7.740 7.458) 10.841 4.053 ( -1.330 -5.653 -0.847) 5.869 4.053 ( -1.330 5.653 -0.847) 5.869 4.127 ( 1.853 -2.241 2.509) 3.841 4.127 ( 1.853 2.241 2.509) 3.841 4.273 ( 6.969 -8.504 2.594) 11.297 4.273 ( 6.969 8.504 2.594) 11.297 4.410 ( 8.095 -5.887 1.090) 10.068 4.410 ( 8.095 5.887 1.090) 10.068 4.614 ( 2.151 -2.778 -3.839) 5.204 4.614 ( 2.151 2.778 -3.839) 5.204 4.728 ( -3.697 -3.526 -3.807) 6.371 4.728 ( -3.697 3.526 -3.807) 6.371 4.874 ( 2.394 -2.207 -4.114) 5.247 4.874 ( 2.394 2.207 -4.114) 5.247 5.000 ( 4.456 -9.054 -9.142) 13.616 5.000 ( 4.456 9.054 -9.142) 13.616 5.147 ( -1.681 -4.380 1.568) 4.947 5.147 ( -1.681 4.380 1.568) 4.947 5.234 ( 0.206 -4.191 1.414) 4.428 5.234 ( 0.206 4.191 1.414) 4.428 5.460 ( -3.552 -10.776 -8.674) 14.282 5.460 ( -3.552 10.776 -8.674) 14.282 5.633 ( 1.289 -7.014 -0.543) 7.152 5.633 ( 1.289 7.014 -0.543) 7.152 5.884 ( -0.997 -3.751 -4.676) 6.077 5.884 ( -0.997 3.751 -4.676) 6.077 5.963 ( 1.897 -3.198 4.567) 5.890 5.963 ( 1.897 3.198 4.567) 5.890 6.198 ( -0.525 -4.412 4.326) 6.201 6.198 ( -0.525 4.412 4.326) 6.201 6.582 ( 1.308 -1.861 1.143) 2.545 6.582 ( 1.308 1.861 1.143) 2.545 6.829 ( -0.778 -1.848 -1.216) 2.345 6.829 ( -0.778 1.848 -1.216) 2.345 6.927 ( -4.358 -3.656 -1.457) 5.872 6.927 ( -4.358 3.656 -1.457) 5.872 7.212 ( 3.013 -3.159 -4.740) 6.444 7.212 ( 3.013 3.159 -4.740) 6.444 7.588 ( 9.217 -4.368 10.266) 14.472 7.588 ( 9.217 4.368 10.266) 14.472 7.738 ( -3.064 -7.260 4.026) 8.849 7.738 ( -3.064 7.260 4.026) 8.849 7.878 ( -5.313 -7.302 1.232) 9.114 7.878 ( -5.313 7.302 1.232) 9.114 8.136 ( -6.112 -2.231 -0.227) 6.510 8.136 ( -6.112 2.231 -0.227) 6.510 8.493 ( 1.429 -2.348 -0.978) 2.917 8.493 ( 1.429 2.348 -0.978) 2.917 8.732 ( -8.700 -2.054 -3.627) 9.647 8.732 ( -8.700 2.054 -3.627) 9.647 9.001 ( 5.307 -2.023 -0.277) 5.686 9.001 ( 5.307 2.023 -0.277) 5.686 9.174 ( 0.376 -5.627 3.074) 6.423 9.174 ( 0.376 5.627 3.074) 6.423 9.506 ( -0.233 -2.089 1.267) 2.455 9.506 ( -0.233 2.089 1.267) 2.455 9.696 ( 1.392 -5.149 4.069) 6.709 9.696 ( 1.392 5.149 4.069) 6.709 9.885 ( -4.265 -6.964 -2.495) 8.539 9.885 ( -4.265 6.964 -2.495) 8.539 10.010 ( 0.615 -4.533 -0.548) 4.607 10.010 ( 0.615 4.533 -0.548) 4.607 10.117 ( 1.743 -1.256 -1.021) 2.379 10.117 ( 1.743 1.256 -1.021) 2.379 10.402 ( 4.669 -3.250 -2.405) 6.176 10.402 ( 4.669 3.250 -2.405) 6.176 10.504 ( 6.221 -1.589 -2.156) 6.773 10.504 ( 6.221 1.589 -2.156) 6.773 11.042 ( 0.673 -4.153 0.591) 4.248 11.042 ( 0.673 4.153 0.591) 4.248 11.430 ( -1.399 -5.674 1.604) 6.060 11.430 ( -1.399 5.674 1.604) 6.060 11.623 ( 0.165 -4.084 -1.380) 4.314 11.623 ( 0.165 4.084 -1.380) 4.314 11.772 ( -2.150 -3.798 0.345) 4.378 11.772 ( -2.150 3.798 0.345) 4.378 11.915 ( -2.618 -2.818 -4.097) 5.620 11.915 ( -2.618 2.818 -4.097) 5.620 12.147 ( -0.073 -1.750 -2.545) 3.090 12.147 ( -0.073 1.750 -2.545) 3.090 12.518 ( 8.781 -4.946 0.279) 10.082 12.518 ( 8.781 4.946 0.279) 10.082 12.745 ( 1.108 -4.761 4.596) 6.710 12.745 ( 1.108 4.761 4.596) 6.710 13.110 ( 1.013 -1.678 0.812) 2.122 13.110 ( 1.013 1.678 0.812) 2.122 13.276 ( -0.966 -3.797 0.209) 3.923 13.276 ( -0.966 3.797 0.209) 3.923 13.410 ( 0.539 -0.508 4.603) 4.663 13.410 ( 0.539 0.508 4.603) 4.663 13.731 ( -9.921 -2.225 -1.201) 10.238 13.731 ( -9.921 2.225 -1.201) 10.238 14.345 ( 6.534 -1.934 -0.737) 6.854 14.345 ( 6.534 1.934 -0.737) 6.854 14.408 ( 1.184 -2.829 -5.276) 6.102 14.408 ( 1.184 2.829 -5.276) 6.102 14.502 ( -1.097 -0.663 -3.535) 3.760 14.502 ( -1.097 0.663 -3.535) 3.760 14.713 ( -4.635 -4.062 5.586) 8.318 14.713 ( -4.635 4.062 5.586) 8.318 15.035 ( -7.309 -1.090 -0.749) 7.428 15.035 ( -7.309 1.090 -0.749) 7.428 15.489 ( -4.858 -3.030 0.422) 5.741 15.489 ( -4.858 3.030 0.422) 5.741 15.708 ( -0.296 -5.349 3.603) 6.456 15.708 ( -0.296 5.349 3.603) 6.456 16.851 ( 9.478 -1.895 1.344) 9.758 16.851 ( 9.478 1.895 1.344) 9.758 17.541 ( -6.209 -5.002 -0.684) 8.002 17.541 ( -6.209 5.002 -0.684) 8.002 18.382 ( 5.301 -10.524 2.315) 12.008 18.382 ( 5.301 10.524 2.315) 12.008 19.204 ( -7.977 -5.470 -3.407) 10.255 19.204 ( -7.977 5.470 -3.407) 10.255 19.768 ( -6.600 -5.397 0.102) 8.526 19.768 ( -6.600 5.397 0.102) 8.526 20.762 ( -2.804 -11.700 -1.531) 12.128 20.762 ( -2.804 11.700 -1.531) 12.128 21.231 ( -3.050 -0.743 -1.465) 3.464 21.231 ( -3.050 0.743 -1.465) 3.464 21.804 ( 8.157 -5.198 2.811) 10.073 21.804 ( 8.157 5.198 2.811) 10.073 22.110 ( -2.382 -3.753 -1.404) 4.662 22.110 ( -2.382 3.753 -1.404) 4.662 22.270 ( 7.830 -2.545 2.863) 8.717 22.270 ( 7.830 2.545 2.863) 8.717 22.430 ( 2.607 -0.907 -0.592) 2.823 22.430 ( 2.607 0.907 -0.592) 2.823 27.818 ( -1.919 -11.812 4.102) 12.650 27.818 ( -1.919 11.812 4.102) 12.650 28.116 ( 3.528 -7.949 2.179) 8.966 28.116 ( 3.528 7.949 2.179) 8.966 28.520 ( 1.190 -1.953 -6.383) 6.781 28.520 ( 1.190 1.953 -6.383) 6.781 28.683 ( 3.431 -2.562 -1.028) 4.404 28.683 ( 3.431 2.562 -1.028) 4.404 28.935 ( -3.621 -2.675 -3.185) 5.514 28.935 ( -3.621 2.675 -3.185) 5.514 29.209 ( -0.107 -2.357 2.053) 3.128 29.209 ( -0.107 2.357 2.053) 3.128 29.535 ( 1.362 -2.455 -2.037) 3.468 29.535 ( 1.362 2.455 -2.037) 3.468 29.603 ( -2.095 -2.726 -5.147) 6.189 29.603 ( -2.095 2.726 -5.147) 6.189 29.826 ( -0.957 -6.137 3.932) 7.351 29.826 ( -0.957 6.137 3.932) 7.351 30.197 ( -4.984 -0.720 -0.116) 5.037 30.197 ( -4.984 0.720 -0.116) 5.037 30.246 ( 3.494 -2.246 1.299) 4.352 30.246 ( 3.494 2.246 1.299) 4.352 30.701 ( 1.985 -14.755 5.511) 15.875 30.701 ( 1.985 14.755 5.511) 15.875 31.074 ( 1.281 -5.556 3.756) 6.828 31.074 ( 1.281 5.556 3.756) 6.828 31.267 ( -1.911 -1.359 -1.466) 2.766 31.267 ( -1.911 1.359 -1.466) 2.766 31.452 ( 0.609 -1.404 0.027) 1.530 31.452 ( 0.609 1.404 0.027) 1.530 31.634 ( 0.843 -3.547 1.671) 4.011 31.634 ( 0.843 3.547 1.671) 4.011 31.869 ( -0.150 -3.542 0.000) 3.545 31.869 ( -0.150 3.542 0.000) 3.545 32.374 ( -1.320 -1.995 -9.741) 10.030 32.374 ( -1.320 1.995 -9.741) 10.030 32.741 ( 3.151 -4.732 3.059) 6.456 32.741 ( 3.151 4.732 3.059) 6.456 33.161 ( -3.556 -7.682 0.903) 8.513 33.161 ( -3.556 7.682 0.903) 8.513 34.498 ( -0.105 -8.083 -0.693) 8.113 34.498 ( -0.105 8.083 -0.693) 8.113 ======================= Grid point 115 (63/63) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 1.805 -6.786 11.821) 13.749 1.078 ( 1.805 6.786 11.821) 13.749 1.477 ( 4.539 -17.063 -2.779) 17.874 1.477 ( 4.539 17.063 -2.779) 17.874 1.654 ( -5.073 -6.043 6.354) 10.130 1.654 ( -5.073 6.043 6.354) 10.130 1.796 ( -3.020 -7.205 1.428) 7.941 1.796 ( -3.020 7.205 1.428) 7.941 2.008 ( -5.679 -1.391 0.444) 5.864 2.008 ( -5.679 1.391 0.444) 5.864 2.319 ( 2.009 -2.427 -0.969) 3.296 2.319 ( 2.009 2.427 -0.969) 3.296 2.379 ( 2.422 -7.432 1.268) 7.918 2.379 ( 2.422 7.432 1.268) 7.918 2.464 ( 2.236 -1.660 1.933) 3.390 2.464 ( 2.236 1.660 1.933) 3.390 2.564 ( -2.844 -6.338 2.641) 7.432 2.564 ( -2.844 6.338 2.641) 7.432 2.701 ( -3.101 -1.889 -2.006) 4.148 2.701 ( -3.101 1.889 -2.006) 4.148 2.796 ( 1.176 -2.229 5.909) 6.424 2.796 ( 1.176 2.229 5.909) 6.424 2.915 ( -6.450 -3.862 -3.058) 8.116 2.915 ( -6.450 3.862 -3.058) 8.116 3.025 ( 0.114 -4.747 1.263) 4.913 3.025 ( 0.114 4.747 1.263) 4.913 3.167 ( 1.482 -12.094 6.455) 13.789 3.167 ( 1.482 12.094 6.455) 13.789 3.255 ( -2.617 -6.333 -1.000) 6.925 3.255 ( -2.617 6.333 -1.000) 6.925 3.350 ( -1.068 -1.970 2.772) 3.564 3.350 ( -1.068 1.970 2.772) 3.564 3.410 ( 7.284 -1.248 -2.236) 7.721 3.410 ( 7.284 1.248 -2.236) 7.721 3.538 ( 4.364 -1.843 -1.537) 4.980 3.538 ( 4.364 1.843 -1.537) 4.980 3.644 ( 6.394 -12.175 1.711) 13.858 3.644 ( 6.394 12.175 1.711) 13.858 3.906 ( -4.105 -5.681 3.517) 7.842 3.906 ( -4.105 5.681 3.517) 7.842 4.013 ( -1.706 -4.557 1.988) 5.256 4.013 ( -1.706 4.557 1.988) 5.256 4.141 ( -7.149 -7.110 1.612) 10.211 4.141 ( -7.149 7.110 1.612) 10.211 4.224 ( 0.048 -2.581 -21.475) 21.630 4.224 ( 0.048 2.581 -21.475) 21.630 4.506 ( 3.527 -7.556 2.858) 8.815 4.506 ( 3.527 7.556 2.858) 8.815 4.592 ( -1.009 -3.330 -3.254) 4.764 4.592 ( -1.009 3.330 -3.254) 4.764 4.715 ( 3.612 -4.804 -1.866) 6.293 4.715 ( 3.612 4.804 -1.866) 6.293 4.827 ( 4.808 -1.074 0.273) 4.934 4.827 ( 4.808 1.074 0.273) 4.934 5.029 ( 7.258 -6.738 -3.959) 10.665 5.029 ( 7.258 6.738 -3.959) 10.665 5.162 ( -1.766 -6.897 -0.345) 7.128 5.162 ( -1.766 6.897 -0.345) 7.128 5.261 ( -0.108 -5.228 1.291) 5.386 5.261 ( -0.108 5.228 1.291) 5.386 5.366 ( -3.357 -6.869 4.871) 9.066 5.366 ( -3.357 6.869 4.871) 9.066 5.667 ( 3.812 -5.829 1.043) 7.043 5.667 ( 3.812 5.829 1.043) 7.043 5.800 ( 0.971 -3.304 -7.106) 7.897 5.800 ( 0.971 3.304 -7.106) 7.897 6.039 ( 0.883 -1.680 0.589) 1.987 6.039 ( 0.883 1.680 0.589) 1.987 6.203 ( -6.817 -6.735 1.776) 9.746 6.203 ( -6.817 6.735 1.776) 9.746 6.497 ( -3.422 -4.226 -8.827) 10.367 6.497 ( -3.422 4.226 -8.827) 10.367 6.659 ( -1.886 -3.472 -4.770) 6.194 6.659 ( -1.886 3.472 -4.770) 6.194 7.086 ( 6.036 -0.964 11.099) 12.670 7.086 ( 6.036 0.964 11.099) 12.670 7.223 ( 3.940 -8.859 -4.152) 10.547 7.223 ( 3.940 8.859 -4.152) 10.547 7.566 ( -13.347 -1.017 -6.478) 14.871 7.566 ( -13.347 1.017 -6.478) 14.871 7.807 ( 1.232 -5.498 4.932) 7.488 7.807 ( 1.232 5.498 4.932) 7.488 7.864 ( 4.754 -5.329 5.563) 9.053 7.864 ( 4.754 5.329 5.563) 9.053 8.180 ( -0.832 -0.690 2.056) 2.322 8.180 ( -0.832 0.690 2.056) 2.322 8.480 ( -5.175 -3.901 3.496) 7.364 8.480 ( -5.175 3.901 3.496) 7.364 8.556 ( -0.645 -3.360 -2.965) 4.528 8.556 ( -0.645 3.360 -2.965) 4.528 9.076 ( 2.651 -9.411 2.449) 10.079 9.076 ( 2.651 9.411 2.449) 10.079 9.221 ( 1.751 -1.140 -1.109) 2.365 9.221 ( 1.751 1.140 -1.109) 2.365 9.492 ( -2.647 -4.048 0.271) 4.844 9.492 ( -2.647 4.048 0.271) 4.844 9.765 ( -1.549 -1.168 1.949) 2.750 9.765 ( -1.549 1.168 1.949) 2.750 9.850 ( 0.698 -4.431 5.815) 7.344 9.850 ( 0.698 4.431 5.815) 7.344 10.016 ( 2.797 -2.666 -2.456) 4.579 10.016 ( 2.797 2.666 -2.456) 4.579 10.115 ( -0.805 -2.825 -0.025) 2.937 10.115 ( -0.805 2.825 -0.025) 2.937 10.374 ( 1.345 -1.221 -7.954) 8.159 10.374 ( 1.345 1.221 -7.954) 8.159 10.584 ( 6.526 -1.442 -1.076) 6.769 10.584 ( 6.526 1.442 -1.076) 6.769 11.092 ( 4.548 -3.832 0.500) 5.969 11.092 ( 4.548 3.832 0.500) 5.969 11.357 ( -10.263 -5.891 -0.034) 11.834 11.357 ( -10.263 5.891 -0.034) 11.834 11.611 ( 0.738 -5.058 -3.084) 5.970 11.611 ( 0.738 5.058 -3.084) 5.970 11.678 ( -4.333 -6.157 -4.479) 8.760 11.678 ( -4.333 6.157 -4.479) 8.760 11.899 ( 3.695 -2.790 2.091) 5.080 11.899 ( 3.695 2.790 2.091) 5.080 12.212 ( 5.429 -1.586 -0.658) 5.694 12.212 ( 5.429 1.586 -0.658) 5.694 12.526 ( -1.439 -3.765 0.254) 4.038 12.526 ( -1.439 3.765 0.254) 4.038 12.863 ( 6.584 -10.633 2.053) 12.673 12.863 ( 6.584 10.633 2.053) 12.673 13.142 ( 0.430 -1.208 -2.044) 2.413 13.142 ( 0.430 1.208 -2.044) 2.413 13.240 ( -4.720 -0.314 0.708) 4.783 13.240 ( -4.720 0.314 0.708) 4.783 13.466 ( 1.227 -4.140 4.703) 6.384 13.466 ( 1.227 4.140 4.703) 6.384 13.586 ( -8.288 -4.502 1.569) 9.561 13.586 ( -8.288 4.502 1.569) 9.562 14.348 ( 1.133 -1.757 -6.599) 6.922 14.348 ( 1.133 1.757 -6.599) 6.922 14.420 ( 4.109 -2.587 -1.052) 4.969 14.420 ( 4.109 2.587 -1.052) 4.969 14.494 ( 2.026 -4.970 0.628) 5.404 14.494 ( 2.026 4.970 0.628) 5.404 14.735 ( -0.761 -0.793 5.255) 5.369 14.735 ( -0.761 0.793 5.255) 5.369 14.939 ( -7.615 -2.812 3.773) 8.952 14.939 ( -7.615 2.812 3.773) 8.952 15.452 ( -1.346 -3.211 2.023) 4.027 15.452 ( -1.346 3.211 2.023) 4.027 15.718 ( -1.608 -5.466 -0.500) 5.720 15.718 ( -1.608 5.466 -0.500) 5.720 17.002 ( 8.553 -1.919 0.881) 8.810 17.002 ( 8.553 1.919 0.881) 8.810 17.428 ( -7.051 -5.978 -1.175) 9.318 17.428 ( -7.051 5.978 -1.175) 9.318 18.443 ( 0.462 -7.776 0.008) 7.790 18.443 ( 0.462 7.776 0.008) 7.790 19.122 ( -1.098 -0.791 1.255) 1.846 19.122 ( -1.098 0.791 1.255) 1.846 19.677 ( -4.837 -6.552 0.097) 8.145 19.677 ( -4.837 6.552 0.097) 8.145 20.634 ( -5.350 -9.572 -6.457) 12.726 20.634 ( -5.350 9.572 -6.457) 12.726 21.262 ( 2.505 -2.099 4.277) 5.383 21.262 ( 2.505 2.099 4.277) 5.383 21.944 ( 3.645 -5.057 2.838) 6.850 21.944 ( 3.645 5.057 2.838) 6.850 22.058 ( -0.243 -4.036 -1.925) 4.478 22.058 ( -0.243 4.036 -1.925) 4.478 22.384 ( 4.225 -1.169 0.866) 4.469 22.384 ( 4.225 1.169 0.866) 4.469 22.472 ( 2.869 -1.719 0.810) 3.441 22.472 ( 2.869 1.719 0.810) 3.441 27.858 ( -1.316 -10.939 6.556) 12.821 27.858 ( -1.316 10.939 6.556) 12.821 28.171 ( 0.791 -7.071 0.765) 7.156 28.171 ( 0.791 7.071 0.765) 7.156 28.475 ( 3.885 -0.504 -7.113) 8.120 28.475 ( 3.885 0.504 -7.113) 8.120 28.730 ( 4.549 -2.464 -0.909) 5.252 28.730 ( 4.549 2.464 -0.909) 5.252 28.854 ( -2.840 -1.287 -2.197) 3.814 28.854 ( -2.840 1.287 -2.197) 3.814 29.131 ( -7.151 -7.759 -5.322) 11.818 29.131 ( -7.151 7.759 -5.322) 11.818 29.469 ( -1.192 -1.758 -0.988) 2.343 29.469 ( -1.192 1.758 -0.988) 2.343 29.656 ( 6.672 -1.993 0.683) 6.997 29.656 ( 6.672 1.993 0.683) 6.997 29.857 ( -0.456 -6.151 3.207) 6.952 29.857 ( -0.456 6.151 3.207) 6.952 30.101 ( -7.436 -1.845 0.781) 7.701 30.101 ( -7.436 1.845 0.781) 7.701 30.303 ( 2.187 -1.909 0.251) 2.914 30.303 ( 2.187 1.909 0.251) 2.914 30.838 ( 3.889 -15.851 5.983) 17.383 30.838 ( 3.889 15.851 5.983) 17.383 31.105 ( -2.576 -2.452 -0.448) 3.585 31.105 ( -2.576 2.452 -0.448) 3.585 31.258 ( 5.644 -6.007 0.717) 8.274 31.258 ( 5.644 6.007 0.717) 8.274 31.433 ( -2.321 -1.656 2.269) 3.644 31.433 ( -2.321 1.656 2.269) 3.644 31.700 ( -0.837 -1.029 3.228) 3.490 31.700 ( -0.837 1.029 3.228) 3.490 31.861 ( 0.902 -4.554 0.368) 4.657 31.861 ( 0.902 4.554 0.368) 4.657 32.233 ( -0.780 -3.694 -10.750) 11.394 32.233 ( -0.780 3.694 -10.750) 11.394 32.835 ( 5.580 -7.156 2.031) 9.299 32.835 ( 5.580 7.156 2.031) 9.299 33.092 ( -6.885 -9.593 0.502) 11.819 33.092 ( -6.885 9.593 0.502) 11.819 34.468 ( -1.032 -5.886 -2.609) 6.521 34.468 ( -1.032 5.886 -2.609) 6.521 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/33600 10.0 15.153 11.745 9.711 0.000 -2.488 0.000 3/33600 20.0 3.633 3.484 2.211 0.000 -0.124 0.000 3/33600 30.0 1.804 1.950 1.196 0.000 0.028 0.000 3/33600 40.0 1.207 1.392 0.855 0.000 0.051 0.000 3/33600 50.0 0.930 1.107 0.692 0.000 0.056 0.000 3/33600 60.0 0.773 0.933 0.598 0.000 0.057 0.000 3/33600 70.0 0.672 0.814 0.536 0.000 0.058 0.000 3/33600 80.0 0.602 0.727 0.492 0.000 0.058 0.000 3/33600 90.0 0.550 0.660 0.458 0.000 0.058 0.000 3/33600 100.0 0.510 0.607 0.431 0.000 0.058 0.000 3/33600 110.0 0.479 0.564 0.408 0.000 0.057 0.000 3/33600 120.0 0.453 0.527 0.389 0.000 0.057 0.000 3/33600 130.0 0.431 0.496 0.372 0.000 0.056 0.000 3/33600 140.0 0.413 0.469 0.357 0.000 0.055 0.000 3/33600 150.0 0.397 0.445 0.344 0.000 0.054 0.000 3/33600 160.0 0.382 0.425 0.332 0.000 0.054 0.000 3/33600 170.0 0.370 0.406 0.320 0.000 0.053 0.000 3/33600 180.0 0.358 0.389 0.310 0.000 0.052 0.000 3/33600 190.0 0.347 0.374 0.301 0.000 0.051 0.000 3/33600 200.0 0.337 0.360 0.292 0.000 0.050 0.000 3/33600 210.0 0.328 0.348 0.284 0.000 0.050 0.000 3/33600 220.0 0.320 0.336 0.276 0.000 0.049 0.000 3/33600 230.0 0.312 0.325 0.269 0.000 0.048 0.000 3/33600 240.0 0.304 0.315 0.263 0.000 0.047 0.000 3/33600 250.0 0.297 0.306 0.256 0.000 0.047 0.000 3/33600 260.0 0.290 0.297 0.251 0.000 0.046 0.000 3/33600 270.0 0.284 0.289 0.245 0.000 0.045 0.000 3/33600 280.0 0.278 0.282 0.240 0.000 0.044 0.000 3/33600 290.0 0.272 0.275 0.235 0.000 0.044 0.000 3/33600 300.0 0.266 0.268 0.230 0.000 0.043 0.000 3/33600 310.0 0.261 0.261 0.225 0.000 0.042 0.000 3/33600 320.0 0.255 0.255 0.221 0.000 0.042 0.000 3/33600 330.0 0.250 0.250 0.217 0.000 0.041 0.000 3/33600 340.0 0.246 0.244 0.212 0.000 0.041 0.000 3/33600 350.0 0.241 0.239 0.209 0.000 0.040 0.000 3/33600 360.0 0.237 0.234 0.205 0.000 0.039 0.000 3/33600 370.0 0.232 0.229 0.201 0.000 0.039 0.000 3/33600 380.0 0.228 0.224 0.198 0.000 0.038 0.000 3/33600 390.0 0.224 0.220 0.194 0.000 0.038 0.000 3/33600 400.0 0.220 0.216 0.191 0.000 0.037 0.000 3/33600 410.0 0.216 0.212 0.188 0.000 0.037 0.000 3/33600 420.0 0.213 0.208 0.185 0.000 0.036 0.000 3/33600 430.0 0.209 0.204 0.182 0.000 0.036 0.000 3/33600 440.0 0.206 0.200 0.179 0.000 0.035 0.000 3/33600 450.0 0.202 0.197 0.176 0.000 0.035 0.000 3/33600 460.0 0.199 0.194 0.173 0.000 0.034 0.000 3/33600 470.0 0.196 0.190 0.171 0.000 0.034 0.000 3/33600 480.0 0.193 0.187 0.168 0.000 0.033 0.000 3/33600 490.0 0.190 0.184 0.166 0.000 0.033 0.000 3/33600 500.0 0.187 0.181 0.163 0.000 0.032 0.000 3/33600 510.0 0.184 0.178 0.161 0.000 0.032 0.000 3/33600 520.0 0.181 0.175 0.159 0.000 0.031 0.000 3/33600 530.0 0.179 0.173 0.156 0.000 0.031 0.000 3/33600 540.0 0.176 0.170 0.154 0.000 0.031 0.000 3/33600 550.0 0.174 0.167 0.152 0.000 0.030 0.000 3/33600 560.0 0.171 0.165 0.150 0.000 0.030 0.000 3/33600 570.0 0.169 0.163 0.148 0.000 0.029 0.000 3/33600 580.0 0.166 0.160 0.146 0.000 0.029 0.000 3/33600 590.0 0.164 0.158 0.144 0.000 0.029 0.000 3/33600 600.0 0.162 0.156 0.142 0.000 0.028 0.000 3/33600 610.0 0.160 0.154 0.140 0.000 0.028 0.000 3/33600 620.0 0.158 0.151 0.139 0.000 0.028 0.000 3/33600 630.0 0.156 0.149 0.137 0.000 0.027 0.000 3/33600 640.0 0.154 0.147 0.135 0.000 0.027 0.000 3/33600 650.0 0.152 0.145 0.133 0.000 0.027 0.000 3/33600 660.0 0.150 0.144 0.132 0.000 0.026 0.000 3/33600 670.0 0.148 0.142 0.130 0.000 0.026 0.000 3/33600 680.0 0.146 0.140 0.129 0.000 0.026 0.000 3/33600 690.0 0.144 0.138 0.127 0.000 0.025 0.000 3/33600 700.0 0.142 0.136 0.126 0.000 0.025 0.000 3/33600 710.0 0.141 0.135 0.124 0.000 0.025 0.000 3/33600 720.0 0.139 0.133 0.123 0.000 0.025 0.000 3/33600 730.0 0.137 0.131 0.121 0.000 0.024 0.000 3/33600 740.0 0.136 0.130 0.120 0.000 0.024 0.000 3/33600 750.0 0.134 0.128 0.118 0.000 0.024 0.000 3/33600 760.0 0.133 0.127 0.117 0.000 0.023 0.000 3/33600 770.0 0.131 0.125 0.116 0.000 0.023 0.000 3/33600 780.0 0.130 0.124 0.115 0.000 0.023 0.000 3/33600 790.0 0.128 0.123 0.113 0.000 0.023 0.000 3/33600 800.0 0.127 0.121 0.112 0.000 0.022 0.000 3/33600 810.0 0.126 0.120 0.111 0.000 0.022 0.000 3/33600 820.0 0.124 0.119 0.110 0.000 0.022 0.000 3/33600 830.0 0.123 0.117 0.109 0.000 0.022 0.000 3/33600 840.0 0.122 0.116 0.108 0.000 0.022 0.000 3/33600 850.0 0.120 0.115 0.106 0.000 0.021 0.000 3/33600 860.0 0.119 0.114 0.105 0.000 0.021 0.000 3/33600 870.0 0.118 0.112 0.104 0.000 0.021 0.000 3/33600 880.0 0.117 0.111 0.103 0.000 0.021 0.000 3/33600 890.0 0.115 0.110 0.102 0.000 0.021 0.000 3/33600 900.0 0.114 0.109 0.101 0.000 0.020 0.000 3/33600 910.0 0.113 0.108 0.100 0.000 0.020 0.000 3/33600 920.0 0.112 0.107 0.099 0.000 0.020 0.000 3/33600 930.0 0.111 0.106 0.098 0.000 0.020 0.000 3/33600 940.0 0.110 0.105 0.097 0.000 0.020 0.000 3/33600 950.0 0.109 0.104 0.096 0.000 0.019 0.000 3/33600 960.0 0.108 0.103 0.096 0.000 0.019 0.000 3/33600 970.0 0.107 0.102 0.095 0.000 0.019 0.000 3/33600 980.0 0.106 0.101 0.094 0.000 0.019 0.000 3/33600 990.0 0.105 0.100 0.093 0.000 0.019 0.000 3/33600 1000.0 0.104 0.099 0.092 0.000 0.019 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m845.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:03:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|