----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:27:04]------------------------- 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 5.783470100147748 0.000000000000000 0.000000000000000 b 0.000000000000000 12.987115449999999 0.000000000000000 c -0.101126966200161 0.000000000000000 8.751283163074847 Atomic positions (fractional): *1 Ba 0.26225813777175 0.77870701607324 0.05732076148558 137.327 *2 Ba 0.26090295504255 0.43727577637397 0.17438994076596 137.327 3 Ba 0.73909704495745 0.93727577637397 0.32561005923404 137.327 4 Ba 0.73774186222825 0.27870701607324 0.44267923851442 137.327 5 Ba 0.26225813777175 0.72129298392676 0.55732076148558 137.327 6 Ba 0.26090295504255 0.06272422362603 0.67438994076596 137.327 7 Ba 0.73909704495745 0.56272422362603 0.82561005923404 137.327 8 Ba 0.73774186222825 0.22129298392676 0.94267923851442 137.327 *9 Y 0.22268048331252 0.12433219292815 0.21029780945709 88.906 10 Y 0.77731951668748 0.62433219292815 0.28970219054292 88.906 11 Y 0.22268048331252 0.37566780707185 0.71029780945708 88.906 12 Y 0.77731951668748 0.87566780707185 0.78970219054292 88.906 *13 F 0.70894446766315 0.85955810530531 0.03453957000630 18.998 *14 F 0.99062583147160 0.60488184736647 0.08028412590212 18.998 *15 F 0.51903558163644 0.60429425283108 0.09570998808427 18.998 *16 F 0.87936506675658 0.07377333776544 0.12693511611954 18.998 *17 F 0.48152003175662 0.25270814961209 0.19083236058671 18.998 *18 F 0.00881804793155 0.26701584297650 0.19782276515166 18.998 *19 F 0.29741916703894 0.95918505515714 0.21222755250516 18.998 20 F 0.70258083296106 0.45918505515714 0.28777244749484 18.998 21 F 0.99118195206845 0.76701584297650 0.30217723484834 18.998 22 F 0.51847996824338 0.75270814961209 0.30916763941329 18.998 23 F 0.12063493324342 0.57377333776544 0.37306488388046 18.998 24 F 0.48096441836356 0.10429425283108 0.40429001191573 18.998 25 F 0.00937416852840 0.10488184736647 0.41971587409788 18.998 26 F 0.29105553233685 0.35955810530531 0.46546042999370 18.998 27 F 0.70894446766315 0.64044189469469 0.53453957000630 18.998 28 F 0.99062583147160 0.89511815263353 0.58028412590212 18.998 29 F 0.51903558163644 0.89570574716892 0.59570998808427 18.998 30 F 0.87936506675658 0.42622666223456 0.62693511611954 18.998 31 F 0.48152003175662 0.24729185038791 0.69083236058671 18.998 32 F 0.00881804793155 0.23298415702350 0.69782276515166 18.998 33 F 0.29741916703894 0.54081494484286 0.71222755250516 18.998 34 F 0.70258083296106 0.04081494484286 0.78777244749484 18.998 35 F 0.99118195206845 0.73298415702350 0.80217723484834 18.998 36 F 0.51847996824338 0.74729185038791 0.80916763941329 18.998 37 F 0.12063493324342 0.92622666223456 0.87306488388046 18.998 38 F 0.48096441836356 0.39570574716892 0.90429001191573 18.998 39 F 0.00937416852840 0.39511815263353 0.91971587409788 18.998 40 F 0.29105553233685 0.14044189469469 0.96546042999370 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.783470100147748 0.000000000000000 0.000000000000000 b 0.000000000000000 12.987115449999999 0.000000000000000 c -0.101126966200161 0.000000000000000 8.751283163074847 Atomic positions (fractional): *1 Ba 0.26225813777175 0.77870701607324 0.05732076148558 137.327 > 1 *2 Ba 0.26090295504255 0.43727577637397 0.17438994076596 137.327 > 2 3 Ba 0.73909704495745 0.93727577637397 0.32561005923404 137.327 > 3 4 Ba 0.73774186222825 0.27870701607324 0.44267923851442 137.327 > 4 5 Ba 0.26225813777175 0.72129298392676 0.55732076148558 137.327 > 5 6 Ba 0.26090295504255 0.06272422362603 0.67438994076596 137.327 > 6 7 Ba 0.73909704495745 0.56272422362603 0.82561005923404 137.327 > 7 8 Ba 0.73774186222825 0.22129298392676 0.94267923851442 137.327 > 8 *9 Y 0.22268048331252 0.12433219292815 0.21029780945709 88.906 > 9 10 Y 0.77731951668748 0.62433219292815 0.28970219054292 88.906 > 10 11 Y 0.22268048331252 0.37566780707185 0.71029780945708 88.906 > 11 12 Y 0.77731951668748 0.87566780707185 0.78970219054292 88.906 > 12 *13 F 0.70894446766315 0.85955810530531 0.03453957000630 18.998 > 13 *14 F 0.99062583147160 0.60488184736647 0.08028412590212 18.998 > 14 *15 F 0.51903558163644 0.60429425283108 0.09570998808427 18.998 > 15 *16 F 0.87936506675658 0.07377333776544 0.12693511611954 18.998 > 16 *17 F 0.48152003175662 0.25270814961209 0.19083236058671 18.998 > 17 *18 F 0.00881804793155 0.26701584297650 0.19782276515166 18.998 > 18 *19 F 0.29741916703894 0.95918505515714 0.21222755250516 18.998 > 19 20 F 0.70258083296106 0.45918505515714 0.28777244749484 18.998 > 20 21 F 0.99118195206845 0.76701584297650 0.30217723484834 18.998 > 21 22 F 0.51847996824338 0.75270814961209 0.30916763941329 18.998 > 22 23 F 0.12063493324342 0.57377333776544 0.37306488388046 18.998 > 23 24 F 0.48096441836356 0.10429425283108 0.40429001191573 18.998 > 24 25 F 0.00937416852840 0.10488184736647 0.41971587409788 18.998 > 25 26 F 0.29105553233685 0.35955810530531 0.46546042999370 18.998 > 26 27 F 0.70894446766315 0.64044189469469 0.53453957000630 18.998 > 27 28 F 0.99062583147160 0.89511815263353 0.58028412590212 18.998 > 28 29 F 0.51903558163644 0.89570574716892 0.59570998808427 18.998 > 29 30 F 0.87936506675658 0.42622666223456 0.62693511611954 18.998 > 30 31 F 0.48152003175662 0.24729185038791 0.69083236058671 18.998 > 31 32 F 0.00881804793155 0.23298415702350 0.69782276515166 18.998 > 32 33 F 0.29741916703894 0.54081494484286 0.71222755250516 18.998 > 33 34 F 0.70258083296106 0.04081494484286 0.78777244749484 18.998 > 34 35 F 0.99118195206845 0.73298415702350 0.80217723484834 18.998 > 35 36 F 0.51847996824338 0.74729185038791 0.80916763941329 18.998 > 36 37 F 0.12063493324342 0.92622666223456 0.87306488388046 18.998 > 37 38 F 0.48096441836356 0.39570574716892 0.90429001191573 18.998 > 38 39 F 0.00937416852840 0.39511815263353 0.91971587409788 18.998 > 39 40 F 0.29105553233685 0.14044189469469 0.96546042999370 18.998 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.566940200295496 0.000000000000000 0.000000000000000 b 0.000000000000000 12.987115449999999 0.000000000000000 c -0.101126966200161 0.000000000000000 8.751283163074847 Atomic positions (fractional): *1 Ba 0.13112906888587 0.77870701607324 0.05732076148558 137.327 > 1 2 Ba 0.63112906888587 0.77870701607324 0.05732076148558 137.327 > 1 *3 Ba 0.13045147752127 0.43727577637397 0.17438994076596 137.327 > 2 4 Ba 0.63045147752127 0.43727577637397 0.17438994076596 137.327 > 2 5 Ba 0.36954852247873 0.93727577637397 0.32561005923404 137.327 > 3 6 Ba 0.86954852247873 0.93727577637397 0.32561005923404 137.327 > 3 7 Ba 0.36887093111413 0.27870701607324 0.44267923851442 137.327 > 4 8 Ba 0.86887093111413 0.27870701607324 0.44267923851442 137.327 > 4 9 Ba 0.13112906888587 0.72129298392676 0.55732076148558 137.327 > 5 10 Ba 0.63112906888587 0.72129298392676 0.55732076148558 137.327 > 5 11 Ba 0.13045147752127 0.06272422362603 0.67438994076596 137.327 > 6 12 Ba 0.63045147752127 0.06272422362603 0.67438994076596 137.327 > 6 13 Ba 0.36954852247873 0.56272422362603 0.82561005923404 137.327 > 7 14 Ba 0.86954852247873 0.56272422362603 0.82561005923404 137.327 > 7 15 Ba 0.36887093111413 0.22129298392676 0.94267923851442 137.327 > 8 16 Ba 0.86887093111413 0.22129298392676 0.94267923851442 137.327 > 8 *17 Y 0.11134024165626 0.12433219292815 0.21029780945709 88.906 > 9 18 Y 0.61134024165626 0.12433219292815 0.21029780945709 88.906 > 9 19 Y 0.38865975834374 0.62433219292815 0.28970219054292 88.906 > 10 20 Y 0.88865975834374 0.62433219292815 0.28970219054292 88.906 > 10 21 Y 0.11134024165626 0.37566780707185 0.71029780945708 88.906 > 11 22 Y 0.61134024165626 0.37566780707185 0.71029780945708 88.906 > 11 23 Y 0.38865975834374 0.87566780707185 0.78970219054292 88.906 > 12 24 Y 0.88865975834374 0.87566780707185 0.78970219054292 88.906 > 12 *25 F 0.35447223383158 0.85955810530531 0.03453957000630 18.998 > 13 26 F 0.85447223383158 0.85955810530531 0.03453957000630 18.998 > 13 *27 F 0.49531291573580 0.60488184736647 0.08028412590212 18.998 > 14 28 F 0.99531291573580 0.60488184736647 0.08028412590212 18.998 > 14 *29 F 0.25951779081822 0.60429425283108 0.09570998808427 18.998 > 15 30 F 0.75951779081822 0.60429425283108 0.09570998808427 18.998 > 15 *31 F 0.43968253337829 0.07377333776544 0.12693511611954 18.998 > 16 32 F 0.93968253337829 0.07377333776544 0.12693511611954 18.998 > 16 *33 F 0.24076001587831 0.25270814961209 0.19083236058671 18.998 > 17 34 F 0.74076001587831 0.25270814961209 0.19083236058671 18.998 > 17 *35 F 0.00440902396577 0.26701584297650 0.19782276515166 18.998 > 18 36 F 0.50440902396578 0.26701584297650 0.19782276515166 18.998 > 18 *37 F 0.14870958351947 0.95918505515714 0.21222755250516 18.998 > 19 38 F 0.64870958351947 0.95918505515714 0.21222755250516 18.998 > 19 39 F 0.35129041648053 0.45918505515714 0.28777244749484 18.998 > 20 40 F 0.85129041648053 0.45918505515714 0.28777244749484 18.998 > 20 41 F 0.49559097603422 0.76701584297650 0.30217723484834 18.998 > 21 42 F 0.99559097603422 0.76701584297650 0.30217723484834 18.998 > 21 43 F 0.25923998412169 0.75270814961209 0.30916763941329 18.998 > 22 44 F 0.75923998412169 0.75270814961209 0.30916763941329 18.998 > 22 45 F 0.06031746662171 0.57377333776544 0.37306488388046 18.998 > 23 46 F 0.56031746662171 0.57377333776544 0.37306488388046 18.998 > 23 47 F 0.24048220918178 0.10429425283108 0.40429001191573 18.998 > 24 48 F 0.74048220918178 0.10429425283108 0.40429001191573 18.998 > 24 49 F 0.00468708426420 0.10488184736647 0.41971587409788 18.998 > 25 50 F 0.50468708426420 0.10488184736647 0.41971587409788 18.998 > 25 51 F 0.14552776616842 0.35955810530531 0.46546042999370 18.998 > 26 52 F 0.64552776616842 0.35955810530531 0.46546042999370 18.998 > 26 53 F 0.35447223383158 0.64044189469469 0.53453957000630 18.998 > 27 54 F 0.85447223383158 0.64044189469469 0.53453957000630 18.998 > 27 55 F 0.49531291573580 0.89511815263353 0.58028412590212 18.998 > 28 56 F 0.99531291573580 0.89511815263353 0.58028412590212 18.998 > 28 57 F 0.25951779081822 0.89570574716892 0.59570998808427 18.998 > 29 58 F 0.75951779081822 0.89570574716892 0.59570998808427 18.998 > 29 59 F 0.43968253337829 0.42622666223456 0.62693511611954 18.998 > 30 60 F 0.93968253337829 0.42622666223456 0.62693511611954 18.998 > 30 61 F 0.24076001587831 0.24729185038791 0.69083236058671 18.998 > 31 62 F 0.74076001587831 0.24729185038791 0.69083236058671 18.998 > 31 63 F 0.00440902396577 0.23298415702350 0.69782276515166 18.998 > 32 64 F 0.50440902396578 0.23298415702350 0.69782276515166 18.998 > 32 65 F 0.14870958351947 0.54081494484286 0.71222755250516 18.998 > 33 66 F 0.64870958351947 0.54081494484286 0.71222755250516 18.998 > 33 67 F 0.35129041648053 0.04081494484286 0.78777244749484 18.998 > 34 68 F 0.85129041648053 0.04081494484286 0.78777244749484 18.998 > 34 69 F 0.49559097603422 0.73298415702350 0.80217723484834 18.998 > 35 70 F 0.99559097603422 0.73298415702350 0.80217723484834 18.998 > 35 71 F 0.25923998412169 0.74729185038791 0.80916763941329 18.998 > 36 72 F 0.75923998412169 0.74729185038791 0.80916763941329 18.998 > 36 73 F 0.06031746662171 0.92622666223456 0.87306488388046 18.998 > 37 74 F 0.56031746662171 0.92622666223456 0.87306488388046 18.998 > 37 75 F 0.24048220918178 0.39570574716892 0.90429001191573 18.998 > 38 76 F 0.74048220918178 0.39570574716892 0.90429001191573 18.998 > 38 77 F 0.00468708426420 0.39511815263353 0.91971587409788 18.998 > 39 78 F 0.50468708426420 0.39511815263353 0.91971587409788 18.998 > 39 79 F 0.14552776616842 0.14044189469469 0.96546042999370 18.998 > 40 80 F 0.64552776616842 0.14044189469469 0.96546042999370 18.998 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4777081 0.0000000 0.0132160 0.0000000 2.4937137 0.0000000 0.0132176 0.0000000 2.4946254 -------------------------- Born effective charges -------------------------- 1 Ba 2.6444659 -0.0391518 0.0613615 -0.0076906 2.5442063 -0.0917845 0.0331212 -0.1529447 2.7779861 2 Ba 2.4759433 -0.0265813 -0.0022611 0.0114037 2.8385014 0.0804378 0.0358192 0.0011734 2.6514072 3 Ba 2.4759433 0.0265813 -0.0022611 -0.0114037 2.8385014 -0.0804378 0.0358192 -0.0011734 2.6514072 4 Ba 2.6444659 0.0391518 0.0613615 0.0076906 2.5442063 0.0917845 0.0331212 0.1529447 2.7779861 5 Ba 2.6444659 0.0391518 0.0613615 0.0076906 2.5442063 0.0917845 0.0331212 0.1529447 2.7779861 6 Ba 2.4759433 0.0265813 -0.0022611 -0.0114037 2.8385014 -0.0804378 0.0358192 -0.0011734 2.6514072 7 Ba 2.4759433 -0.0265813 -0.0022611 0.0114037 2.8385014 0.0804378 0.0358192 0.0011734 2.6514072 8 Ba 2.6444659 -0.0391518 0.0613615 -0.0076906 2.5442063 -0.0917845 0.0331212 -0.1529447 2.7779861 9 Y 3.5517549 0.0492733 0.0589132 0.0543527 3.5641914 -0.2053325 0.0410207 -0.1365991 3.5259638 10 Y 3.5517549 -0.0492733 0.0589132 -0.0543527 3.5641914 0.2053325 0.0410207 0.1365991 3.5259638 11 Y 3.5517549 -0.0492733 0.0589132 -0.0543527 3.5641914 0.2053325 0.0410207 0.1365991 3.5259638 12 Y 3.5517549 0.0492733 0.0589132 0.0543527 3.5641914 -0.2053325 0.0410207 -0.1365991 3.5259638 13 F -1.1149007 -0.1056880 0.1754941 -0.1081624 -0.8537450 -0.0243193 0.1595748 -0.0246138 -1.8066237 14 F -1.1994730 -0.0233557 0.0916721 -0.0145560 -1.1262493 -0.0591975 0.1203185 -0.0338790 -1.4476264 15 F -1.2633004 -0.0266839 -0.1585633 -0.0148847 -1.1908888 -0.0124861 -0.1525184 0.0074486 -1.3280176 16 F -1.4075263 -0.1670902 -0.1881569 -0.1867008 -1.2129689 0.3037333 -0.1885124 0.2926787 -1.1454212 17 F -1.3048759 -0.1786581 0.0219741 -0.1786236 -1.3247385 -0.0286869 0.0169405 -0.0514305 -1.2228229 18 F -1.2404418 0.0811508 0.0518539 0.1160704 -1.4599487 -0.0160451 0.0499280 -0.0046471 -1.1458289 19 F -1.1416460 0.2043701 -0.1122877 0.1781851 -1.7783599 -0.1426051 -0.1156921 -0.1689932 -0.8590164 20 F -1.1416460 -0.2043701 -0.1122877 -0.1781851 -1.7783599 0.1426051 -0.1156921 0.1689932 -0.8590164 21 F -1.2404418 -0.0811508 0.0518539 -0.1160704 -1.4599487 0.0160451 0.0499280 0.0046471 -1.1458289 22 F -1.3048759 0.1786581 0.0219741 0.1786236 -1.3247385 0.0286869 0.0169405 0.0514305 -1.2228229 23 F -1.4075263 0.1670902 -0.1881569 0.1867008 -1.2129689 -0.3037333 -0.1885124 -0.2926787 -1.1454212 24 F -1.2633004 0.0266839 -0.1585633 0.0148847 -1.1908888 0.0124861 -0.1525184 -0.0074486 -1.3280176 25 F -1.1994730 0.0233557 0.0916721 0.0145560 -1.1262493 0.0591975 0.1203185 0.0338790 -1.4476264 26 F -1.1149007 0.1056880 0.1754941 0.1081624 -0.8537450 0.0243193 0.1595748 0.0246138 -1.8066237 27 F -1.1149007 0.1056880 0.1754941 0.1081624 -0.8537450 0.0243193 0.1595748 0.0246138 -1.8066237 28 F -1.1994730 0.0233557 0.0916721 0.0145560 -1.1262493 0.0591975 0.1203185 0.0338790 -1.4476264 29 F -1.2633004 0.0266839 -0.1585633 0.0148847 -1.1908888 0.0124861 -0.1525184 -0.0074486 -1.3280176 30 F -1.4075263 0.1670902 -0.1881569 0.1867008 -1.2129689 -0.3037333 -0.1885124 -0.2926787 -1.1454212 31 F -1.3048759 0.1786581 0.0219741 0.1786236 -1.3247385 0.0286869 0.0169405 0.0514305 -1.2228229 32 F -1.2404418 -0.0811508 0.0518539 -0.1160704 -1.4599487 0.0160451 0.0499280 0.0046471 -1.1458289 33 F -1.1416460 -0.2043701 -0.1122877 -0.1781851 -1.7783599 0.1426051 -0.1156921 0.1689932 -0.8590164 34 F -1.1416460 0.2043701 -0.1122877 0.1781851 -1.7783599 -0.1426051 -0.1156921 -0.1689932 -0.8590164 35 F -1.2404418 0.0811508 0.0518539 0.1160704 -1.4599487 -0.0160451 0.0499280 -0.0046471 -1.1458289 36 F -1.3048759 -0.1786581 0.0219741 -0.1786236 -1.3247385 -0.0286869 0.0169405 -0.0514305 -1.2228229 37 F -1.4075263 -0.1670902 -0.1881569 -0.1867008 -1.2129689 0.3037333 -0.1885124 0.2926787 -1.1454212 38 F -1.2633004 -0.0266839 -0.1585633 -0.0148847 -1.1908888 -0.0124861 -0.1525184 0.0074486 -1.3280176 39 F -1.1994730 -0.0233557 0.0916721 -0.0145560 -1.1262493 -0.0591975 0.1203185 -0.0338790 -1.4476264 40 F -1.1149007 -0.1056880 0.1754941 -0.1081624 -0.8537450 -0.0243193 0.1595748 -0.0246138 -1.8066237 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.763 Solver_block: 200 / 1200 - Time: 0.657 Solver_block: 300 / 1200 - Time: 0.655 Solver_block: 400 / 1200 - Time: 0.650 Solver_block: 500 / 1200 - Time: 0.655 Solver_block: 600 / 1200 - Time: 0.657 Solver_block: 700 / 1200 - Time: 0.654 Solver_block: 800 / 1200 - Time: 0.652 Solver_block: 900 / 1200 - Time: 0.647 Solver_block: 1000 / 1200 - Time: 0.651 Solver_block: 1100 / 1200 - Time: 0.651 Solver_block: 1200 / 1200 - Time: 0.661 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.135 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:27:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:27:49]------------------------- 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 5.783470100147748 0.000000000000000 0.000000000000000 b 0.000000000000000 12.987115449999999 0.000000000000000 c -0.101126966200161 0.000000000000000 8.751283163074847 Atomic positions (fractional): 1 Ba 0.26225813777175 0.77870701607324 0.05732076148558 137.327 2 Ba 0.26090295504255 0.43727577637397 0.17438994076596 137.327 3 Ba 0.73909704495745 0.93727577637397 0.32561005923404 137.327 4 Ba 0.73774186222825 0.27870701607324 0.44267923851442 137.327 5 Ba 0.26225813777175 0.72129298392676 0.55732076148558 137.327 6 Ba 0.26090295504255 0.06272422362603 0.67438994076596 137.327 7 Ba 0.73909704495745 0.56272422362603 0.82561005923404 137.327 8 Ba 0.73774186222825 0.22129298392676 0.94267923851442 137.327 9 Y 0.22268048331252 0.12433219292815 0.21029780945709 88.906 10 Y 0.77731951668748 0.62433219292815 0.28970219054292 88.906 11 Y 0.22268048331252 0.37566780707185 0.71029780945708 88.906 12 Y 0.77731951668748 0.87566780707185 0.78970219054292 88.906 13 F 0.70894446766315 0.85955810530531 0.03453957000630 18.998 14 F 0.99062583147160 0.60488184736647 0.08028412590212 18.998 15 F 0.51903558163644 0.60429425283108 0.09570998808427 18.998 16 F 0.87936506675658 0.07377333776544 0.12693511611954 18.998 17 F 0.48152003175662 0.25270814961209 0.19083236058671 18.998 18 F 0.00881804793155 0.26701584297650 0.19782276515166 18.998 19 F 0.29741916703894 0.95918505515714 0.21222755250516 18.998 20 F 0.70258083296106 0.45918505515714 0.28777244749484 18.998 21 F 0.99118195206845 0.76701584297650 0.30217723484834 18.998 22 F 0.51847996824338 0.75270814961209 0.30916763941329 18.998 23 F 0.12063493324342 0.57377333776544 0.37306488388046 18.998 24 F 0.48096441836356 0.10429425283108 0.40429001191573 18.998 25 F 0.00937416852840 0.10488184736647 0.41971587409788 18.998 26 F 0.29105553233685 0.35955810530531 0.46546042999370 18.998 27 F 0.70894446766315 0.64044189469469 0.53453957000630 18.998 28 F 0.99062583147160 0.89511815263353 0.58028412590212 18.998 29 F 0.51903558163644 0.89570574716892 0.59570998808427 18.998 30 F 0.87936506675658 0.42622666223456 0.62693511611954 18.998 31 F 0.48152003175662 0.24729185038791 0.69083236058671 18.998 32 F 0.00881804793155 0.23298415702350 0.69782276515166 18.998 33 F 0.29741916703894 0.54081494484286 0.71222755250516 18.998 34 F 0.70258083296106 0.04081494484286 0.78777244749484 18.998 35 F 0.99118195206845 0.73298415702350 0.80217723484834 18.998 36 F 0.51847996824338 0.74729185038791 0.80916763941329 18.998 37 F 0.12063493324342 0.92622666223456 0.87306488388046 18.998 38 F 0.48096441836356 0.39570574716892 0.90429001191573 18.998 39 F 0.00937416852840 0.39511815263353 0.91971587409788 18.998 40 F 0.29105553233685 0.14044189469469 0.96546042999370 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.566940200295496 0.000000000000000 0.000000000000000 b 0.000000000000000 12.987115449999999 0.000000000000000 c -0.101126966200161 0.000000000000000 8.751283163074847 Atomic positions (fractional): 1 Ba 0.13112906888587 0.77870701607324 0.05732076148558 137.327 > 1 2 Ba 0.63112906888587 0.77870701607324 0.05732076148558 137.327 > 1 3 Ba 0.13045147752127 0.43727577637397 0.17438994076596 137.327 > 3 4 Ba 0.63045147752127 0.43727577637397 0.17438994076596 137.327 > 3 5 Ba 0.36954852247873 0.93727577637397 0.32561005923404 137.327 > 5 6 Ba 0.86954852247873 0.93727577637397 0.32561005923404 137.327 > 5 7 Ba 0.36887093111413 0.27870701607324 0.44267923851442 137.327 > 7 8 Ba 0.86887093111413 0.27870701607324 0.44267923851442 137.327 > 7 9 Ba 0.13112906888587 0.72129298392676 0.55732076148558 137.327 > 9 10 Ba 0.63112906888587 0.72129298392676 0.55732076148558 137.327 > 9 11 Ba 0.13045147752127 0.06272422362603 0.67438994076596 137.327 > 11 12 Ba 0.63045147752127 0.06272422362603 0.67438994076596 137.327 > 11 13 Ba 0.36954852247873 0.56272422362603 0.82561005923404 137.327 > 13 14 Ba 0.86954852247873 0.56272422362603 0.82561005923404 137.327 > 13 15 Ba 0.36887093111413 0.22129298392676 0.94267923851442 137.327 > 15 16 Ba 0.86887093111413 0.22129298392676 0.94267923851442 137.327 > 15 17 Y 0.11134024165626 0.12433219292815 0.21029780945709 88.906 > 17 18 Y 0.61134024165626 0.12433219292815 0.21029780945709 88.906 > 17 19 Y 0.38865975834374 0.62433219292815 0.28970219054292 88.906 > 19 20 Y 0.88865975834374 0.62433219292815 0.28970219054292 88.906 > 19 21 Y 0.11134024165626 0.37566780707185 0.71029780945708 88.906 > 21 22 Y 0.61134024165626 0.37566780707185 0.71029780945708 88.906 > 21 23 Y 0.38865975834374 0.87566780707185 0.78970219054292 88.906 > 23 24 Y 0.88865975834374 0.87566780707185 0.78970219054292 88.906 > 23 25 F 0.35447223383158 0.85955810530531 0.03453957000630 18.998 > 25 26 F 0.85447223383158 0.85955810530531 0.03453957000630 18.998 > 25 27 F 0.49531291573580 0.60488184736647 0.08028412590212 18.998 > 27 28 F 0.99531291573580 0.60488184736647 0.08028412590212 18.998 > 27 29 F 0.25951779081822 0.60429425283108 0.09570998808427 18.998 > 29 30 F 0.75951779081822 0.60429425283108 0.09570998808427 18.998 > 29 31 F 0.43968253337829 0.07377333776544 0.12693511611954 18.998 > 31 32 F 0.93968253337829 0.07377333776544 0.12693511611954 18.998 > 31 33 F 0.24076001587831 0.25270814961209 0.19083236058671 18.998 > 33 34 F 0.74076001587831 0.25270814961209 0.19083236058671 18.998 > 33 35 F 0.00440902396577 0.26701584297650 0.19782276515166 18.998 > 35 36 F 0.50440902396578 0.26701584297650 0.19782276515166 18.998 > 35 37 F 0.14870958351947 0.95918505515714 0.21222755250516 18.998 > 37 38 F 0.64870958351947 0.95918505515714 0.21222755250516 18.998 > 37 39 F 0.35129041648053 0.45918505515714 0.28777244749484 18.998 > 39 40 F 0.85129041648053 0.45918505515714 0.28777244749484 18.998 > 39 41 F 0.49559097603422 0.76701584297650 0.30217723484834 18.998 > 41 42 F 0.99559097603422 0.76701584297650 0.30217723484834 18.998 > 41 43 F 0.25923998412169 0.75270814961209 0.30916763941329 18.998 > 43 44 F 0.75923998412169 0.75270814961209 0.30916763941329 18.998 > 43 45 F 0.06031746662171 0.57377333776544 0.37306488388046 18.998 > 45 46 F 0.56031746662171 0.57377333776544 0.37306488388046 18.998 > 45 47 F 0.24048220918178 0.10429425283108 0.40429001191573 18.998 > 47 48 F 0.74048220918178 0.10429425283108 0.40429001191573 18.998 > 47 49 F 0.00468708426420 0.10488184736647 0.41971587409788 18.998 > 49 50 F 0.50468708426420 0.10488184736647 0.41971587409788 18.998 > 49 51 F 0.14552776616842 0.35955810530531 0.46546042999370 18.998 > 51 52 F 0.64552776616842 0.35955810530531 0.46546042999370 18.998 > 51 53 F 0.35447223383158 0.64044189469469 0.53453957000630 18.998 > 53 54 F 0.85447223383158 0.64044189469469 0.53453957000630 18.998 > 53 55 F 0.49531291573580 0.89511815263353 0.58028412590212 18.998 > 55 56 F 0.99531291573580 0.89511815263353 0.58028412590212 18.998 > 55 57 F 0.25951779081822 0.89570574716892 0.59570998808427 18.998 > 57 58 F 0.75951779081822 0.89570574716892 0.59570998808427 18.998 > 57 59 F 0.43968253337829 0.42622666223456 0.62693511611954 18.998 > 59 60 F 0.93968253337829 0.42622666223456 0.62693511611954 18.998 > 59 61 F 0.24076001587831 0.24729185038791 0.69083236058671 18.998 > 61 62 F 0.74076001587831 0.24729185038791 0.69083236058671 18.998 > 61 63 F 0.00440902396577 0.23298415702350 0.69782276515166 18.998 > 63 64 F 0.50440902396578 0.23298415702350 0.69782276515166 18.998 > 63 65 F 0.14870958351947 0.54081494484286 0.71222755250516 18.998 > 65 66 F 0.64870958351947 0.54081494484286 0.71222755250516 18.998 > 65 67 F 0.35129041648053 0.04081494484286 0.78777244749484 18.998 > 67 68 F 0.85129041648053 0.04081494484286 0.78777244749484 18.998 > 67 69 F 0.49559097603422 0.73298415702350 0.80217723484834 18.998 > 69 70 F 0.99559097603422 0.73298415702350 0.80217723484834 18.998 > 69 71 F 0.25923998412169 0.74729185038791 0.80916763941329 18.998 > 71 72 F 0.75923998412169 0.74729185038791 0.80916763941329 18.998 > 71 73 F 0.06031746662171 0.92622666223456 0.87306488388046 18.998 > 73 74 F 0.56031746662171 0.92622666223456 0.87306488388046 18.998 > 73 75 F 0.24048220918178 0.39570574716892 0.90429001191573 18.998 > 75 76 F 0.74048220918178 0.39570574716892 0.90429001191573 18.998 > 75 77 F 0.00468708426420 0.39511815263353 0.91971587409788 18.998 > 77 78 F 0.50468708426420 0.39511815263353 0.91971587409788 18.998 > 77 79 F 0.14552776616842 0.14044189469469 0.96546042999370 18.998 > 79 80 F 0.64552776616842 0.14044189469469 0.96546042999370 18.998 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4777081 0.0000000 0.0132160 0.0000000 2.4937137 0.0000000 0.0132176 0.0000000 2.4946254 -------------------------- Born effective charges -------------------------- 1 Ba 2.6444659 -0.0391518 0.0613615 -0.0076906 2.5442063 -0.0917845 0.0331212 -0.1529447 2.7779861 2 Ba 2.4759433 -0.0265813 -0.0022611 0.0114037 2.8385014 0.0804378 0.0358192 0.0011734 2.6514072 3 Ba 2.4759433 0.0265813 -0.0022611 -0.0114037 2.8385014 -0.0804378 0.0358192 -0.0011734 2.6514072 4 Ba 2.6444659 0.0391518 0.0613615 0.0076906 2.5442063 0.0917845 0.0331212 0.1529447 2.7779861 5 Ba 2.6444659 0.0391518 0.0613615 0.0076906 2.5442063 0.0917845 0.0331212 0.1529447 2.7779861 6 Ba 2.4759433 0.0265813 -0.0022611 -0.0114037 2.8385014 -0.0804378 0.0358192 -0.0011734 2.6514072 7 Ba 2.4759433 -0.0265813 -0.0022611 0.0114037 2.8385014 0.0804378 0.0358192 0.0011734 2.6514072 8 Ba 2.6444659 -0.0391518 0.0613615 -0.0076906 2.5442063 -0.0917845 0.0331212 -0.1529447 2.7779861 9 Y 3.5517549 0.0492733 0.0589132 0.0543527 3.5641914 -0.2053325 0.0410207 -0.1365991 3.5259638 10 Y 3.5517549 -0.0492733 0.0589132 -0.0543527 3.5641914 0.2053325 0.0410207 0.1365991 3.5259638 11 Y 3.5517549 -0.0492733 0.0589132 -0.0543527 3.5641914 0.2053325 0.0410207 0.1365991 3.5259638 12 Y 3.5517549 0.0492733 0.0589132 0.0543527 3.5641914 -0.2053325 0.0410207 -0.1365991 3.5259638 13 F -1.1149007 -0.1056880 0.1754941 -0.1081624 -0.8537450 -0.0243193 0.1595748 -0.0246138 -1.8066237 14 F -1.1994730 -0.0233557 0.0916721 -0.0145560 -1.1262493 -0.0591975 0.1203185 -0.0338790 -1.4476264 15 F -1.2633004 -0.0266839 -0.1585633 -0.0148847 -1.1908888 -0.0124861 -0.1525184 0.0074486 -1.3280176 16 F -1.4075263 -0.1670902 -0.1881569 -0.1867008 -1.2129689 0.3037333 -0.1885124 0.2926787 -1.1454212 17 F -1.3048759 -0.1786581 0.0219741 -0.1786236 -1.3247385 -0.0286869 0.0169405 -0.0514305 -1.2228229 18 F -1.2404418 0.0811508 0.0518539 0.1160704 -1.4599487 -0.0160451 0.0499280 -0.0046471 -1.1458289 19 F -1.1416460 0.2043701 -0.1122877 0.1781851 -1.7783599 -0.1426051 -0.1156921 -0.1689932 -0.8590164 20 F -1.1416460 -0.2043701 -0.1122877 -0.1781851 -1.7783599 0.1426051 -0.1156921 0.1689932 -0.8590164 21 F -1.2404418 -0.0811508 0.0518539 -0.1160704 -1.4599487 0.0160451 0.0499280 0.0046471 -1.1458289 22 F -1.3048759 0.1786581 0.0219741 0.1786236 -1.3247385 0.0286869 0.0169405 0.0514305 -1.2228229 23 F -1.4075263 0.1670902 -0.1881569 0.1867008 -1.2129689 -0.3037333 -0.1885124 -0.2926787 -1.1454212 24 F -1.2633004 0.0266839 -0.1585633 0.0148847 -1.1908888 0.0124861 -0.1525184 -0.0074486 -1.3280176 25 F -1.1994730 0.0233557 0.0916721 0.0145560 -1.1262493 0.0591975 0.1203185 0.0338790 -1.4476264 26 F -1.1149007 0.1056880 0.1754941 0.1081624 -0.8537450 0.0243193 0.1595748 0.0246138 -1.8066237 27 F -1.1149007 0.1056880 0.1754941 0.1081624 -0.8537450 0.0243193 0.1595748 0.0246138 -1.8066237 28 F -1.1994730 0.0233557 0.0916721 0.0145560 -1.1262493 0.0591975 0.1203185 0.0338790 -1.4476264 29 F -1.2633004 0.0266839 -0.1585633 0.0148847 -1.1908888 0.0124861 -0.1525184 -0.0074486 -1.3280176 30 F -1.4075263 0.1670902 -0.1881569 0.1867008 -1.2129689 -0.3037333 -0.1885124 -0.2926787 -1.1454212 31 F -1.3048759 0.1786581 0.0219741 0.1786236 -1.3247385 0.0286869 0.0169405 0.0514305 -1.2228229 32 F -1.2404418 -0.0811508 0.0518539 -0.1160704 -1.4599487 0.0160451 0.0499280 0.0046471 -1.1458289 33 F -1.1416460 -0.2043701 -0.1122877 -0.1781851 -1.7783599 0.1426051 -0.1156921 0.1689932 -0.8590164 34 F -1.1416460 0.2043701 -0.1122877 0.1781851 -1.7783599 -0.1426051 -0.1156921 -0.1689932 -0.8590164 35 F -1.2404418 0.0811508 0.0518539 0.1160704 -1.4599487 -0.0160451 0.0499280 -0.0046471 -1.1458289 36 F -1.3048759 -0.1786581 0.0219741 -0.1786236 -1.3247385 -0.0286869 0.0169405 -0.0514305 -1.2228229 37 F -1.4075263 -0.1670902 -0.1881569 -0.1867008 -1.2129689 0.3037333 -0.1885124 0.2926787 -1.1454212 38 F -1.2633004 -0.0266839 -0.1585633 -0.0148847 -1.1908888 -0.0124861 -0.1525184 0.0074486 -1.3280176 39 F -1.1994730 -0.0233557 0.0916721 -0.0145560 -1.1262493 -0.0591975 0.1203185 -0.0338790 -1.4476264 40 F -1.1149007 -0.1056880 0.1754941 -0.1081624 -0.8537450 -0.0243193 0.1595748 -0.0246138 -1.8066237 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 27, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 31, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:28:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:28:17]------------------------- 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 5.783470100147748 0.000000000000000 0.000000000000000 b 0.000000000000000 12.987115449999999 0.000000000000000 c -0.101126966200161 0.000000000000000 8.751283163074847 Atomic positions (fractional): 1 Ba 0.26225813777175 0.77870701607324 0.05732076148558 137.327 2 Ba 0.26090295504255 0.43727577637397 0.17438994076596 137.327 3 Ba 0.73909704495745 0.93727577637397 0.32561005923404 137.327 4 Ba 0.73774186222825 0.27870701607324 0.44267923851442 137.327 5 Ba 0.26225813777175 0.72129298392676 0.55732076148558 137.327 6 Ba 0.26090295504255 0.06272422362603 0.67438994076596 137.327 7 Ba 0.73909704495745 0.56272422362603 0.82561005923404 137.327 8 Ba 0.73774186222825 0.22129298392676 0.94267923851442 137.327 9 Y 0.22268048331252 0.12433219292815 0.21029780945709 88.906 10 Y 0.77731951668748 0.62433219292815 0.28970219054292 88.906 11 Y 0.22268048331252 0.37566780707185 0.71029780945708 88.906 12 Y 0.77731951668748 0.87566780707185 0.78970219054292 88.906 13 F 0.70894446766315 0.85955810530531 0.03453957000630 18.998 14 F 0.99062583147160 0.60488184736647 0.08028412590212 18.998 15 F 0.51903558163644 0.60429425283108 0.09570998808427 18.998 16 F 0.87936506675658 0.07377333776544 0.12693511611954 18.998 17 F 0.48152003175662 0.25270814961209 0.19083236058671 18.998 18 F 0.00881804793155 0.26701584297650 0.19782276515166 18.998 19 F 0.29741916703894 0.95918505515714 0.21222755250516 18.998 20 F 0.70258083296106 0.45918505515714 0.28777244749484 18.998 21 F 0.99118195206845 0.76701584297650 0.30217723484834 18.998 22 F 0.51847996824338 0.75270814961209 0.30916763941329 18.998 23 F 0.12063493324342 0.57377333776544 0.37306488388046 18.998 24 F 0.48096441836356 0.10429425283108 0.40429001191573 18.998 25 F 0.00937416852840 0.10488184736647 0.41971587409788 18.998 26 F 0.29105553233685 0.35955810530531 0.46546042999370 18.998 27 F 0.70894446766315 0.64044189469469 0.53453957000630 18.998 28 F 0.99062583147160 0.89511815263353 0.58028412590212 18.998 29 F 0.51903558163644 0.89570574716892 0.59570998808427 18.998 30 F 0.87936506675658 0.42622666223456 0.62693511611954 18.998 31 F 0.48152003175662 0.24729185038791 0.69083236058671 18.998 32 F 0.00881804793155 0.23298415702350 0.69782276515166 18.998 33 F 0.29741916703894 0.54081494484286 0.71222755250516 18.998 34 F 0.70258083296106 0.04081494484286 0.78777244749484 18.998 35 F 0.99118195206845 0.73298415702350 0.80217723484834 18.998 36 F 0.51847996824338 0.74729185038791 0.80916763941329 18.998 37 F 0.12063493324342 0.92622666223456 0.87306488388046 18.998 38 F 0.48096441836356 0.39570574716892 0.90429001191573 18.998 39 F 0.00937416852840 0.39511815263353 0.91971587409788 18.998 40 F 0.29105553233685 0.14044189469469 0.96546042999370 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.566940200295496 0.000000000000000 0.000000000000000 b 0.000000000000000 12.987115449999999 0.000000000000000 c -0.101126966200161 0.000000000000000 8.751283163074847 Atomic positions (fractional): 1 Ba 0.13112906888587 0.77870701607324 0.05732076148558 137.327 > 1 2 Ba 0.63112906888587 0.77870701607324 0.05732076148558 137.327 > 1 3 Ba 0.13045147752127 0.43727577637397 0.17438994076596 137.327 > 3 4 Ba 0.63045147752127 0.43727577637397 0.17438994076596 137.327 > 3 5 Ba 0.36954852247873 0.93727577637397 0.32561005923404 137.327 > 5 6 Ba 0.86954852247873 0.93727577637397 0.32561005923404 137.327 > 5 7 Ba 0.36887093111413 0.27870701607324 0.44267923851442 137.327 > 7 8 Ba 0.86887093111413 0.27870701607324 0.44267923851442 137.327 > 7 9 Ba 0.13112906888587 0.72129298392676 0.55732076148558 137.327 > 9 10 Ba 0.63112906888587 0.72129298392676 0.55732076148558 137.327 > 9 11 Ba 0.13045147752127 0.06272422362603 0.67438994076596 137.327 > 11 12 Ba 0.63045147752127 0.06272422362603 0.67438994076596 137.327 > 11 13 Ba 0.36954852247873 0.56272422362603 0.82561005923404 137.327 > 13 14 Ba 0.86954852247873 0.56272422362603 0.82561005923404 137.327 > 13 15 Ba 0.36887093111413 0.22129298392676 0.94267923851442 137.327 > 15 16 Ba 0.86887093111413 0.22129298392676 0.94267923851442 137.327 > 15 17 Y 0.11134024165626 0.12433219292815 0.21029780945709 88.906 > 17 18 Y 0.61134024165626 0.12433219292815 0.21029780945709 88.906 > 17 19 Y 0.38865975834374 0.62433219292815 0.28970219054292 88.906 > 19 20 Y 0.88865975834374 0.62433219292815 0.28970219054292 88.906 > 19 21 Y 0.11134024165626 0.37566780707185 0.71029780945708 88.906 > 21 22 Y 0.61134024165626 0.37566780707185 0.71029780945708 88.906 > 21 23 Y 0.38865975834374 0.87566780707185 0.78970219054292 88.906 > 23 24 Y 0.88865975834374 0.87566780707185 0.78970219054292 88.906 > 23 25 F 0.35447223383158 0.85955810530531 0.03453957000630 18.998 > 25 26 F 0.85447223383158 0.85955810530531 0.03453957000630 18.998 > 25 27 F 0.49531291573580 0.60488184736647 0.08028412590212 18.998 > 27 28 F 0.99531291573580 0.60488184736647 0.08028412590212 18.998 > 27 29 F 0.25951779081822 0.60429425283108 0.09570998808427 18.998 > 29 30 F 0.75951779081822 0.60429425283108 0.09570998808427 18.998 > 29 31 F 0.43968253337829 0.07377333776544 0.12693511611954 18.998 > 31 32 F 0.93968253337829 0.07377333776544 0.12693511611954 18.998 > 31 33 F 0.24076001587831 0.25270814961209 0.19083236058671 18.998 > 33 34 F 0.74076001587831 0.25270814961209 0.19083236058671 18.998 > 33 35 F 0.00440902396577 0.26701584297650 0.19782276515166 18.998 > 35 36 F 0.50440902396578 0.26701584297650 0.19782276515166 18.998 > 35 37 F 0.14870958351947 0.95918505515714 0.21222755250516 18.998 > 37 38 F 0.64870958351947 0.95918505515714 0.21222755250516 18.998 > 37 39 F 0.35129041648053 0.45918505515714 0.28777244749484 18.998 > 39 40 F 0.85129041648053 0.45918505515714 0.28777244749484 18.998 > 39 41 F 0.49559097603422 0.76701584297650 0.30217723484834 18.998 > 41 42 F 0.99559097603422 0.76701584297650 0.30217723484834 18.998 > 41 43 F 0.25923998412169 0.75270814961209 0.30916763941329 18.998 > 43 44 F 0.75923998412169 0.75270814961209 0.30916763941329 18.998 > 43 45 F 0.06031746662171 0.57377333776544 0.37306488388046 18.998 > 45 46 F 0.56031746662171 0.57377333776544 0.37306488388046 18.998 > 45 47 F 0.24048220918178 0.10429425283108 0.40429001191573 18.998 > 47 48 F 0.74048220918178 0.10429425283108 0.40429001191573 18.998 > 47 49 F 0.00468708426420 0.10488184736647 0.41971587409788 18.998 > 49 50 F 0.50468708426420 0.10488184736647 0.41971587409788 18.998 > 49 51 F 0.14552776616842 0.35955810530531 0.46546042999370 18.998 > 51 52 F 0.64552776616842 0.35955810530531 0.46546042999370 18.998 > 51 53 F 0.35447223383158 0.64044189469469 0.53453957000630 18.998 > 53 54 F 0.85447223383158 0.64044189469469 0.53453957000630 18.998 > 53 55 F 0.49531291573580 0.89511815263353 0.58028412590212 18.998 > 55 56 F 0.99531291573580 0.89511815263353 0.58028412590212 18.998 > 55 57 F 0.25951779081822 0.89570574716892 0.59570998808427 18.998 > 57 58 F 0.75951779081822 0.89570574716892 0.59570998808427 18.998 > 57 59 F 0.43968253337829 0.42622666223456 0.62693511611954 18.998 > 59 60 F 0.93968253337829 0.42622666223456 0.62693511611954 18.998 > 59 61 F 0.24076001587831 0.24729185038791 0.69083236058671 18.998 > 61 62 F 0.74076001587831 0.24729185038791 0.69083236058671 18.998 > 61 63 F 0.00440902396577 0.23298415702350 0.69782276515166 18.998 > 63 64 F 0.50440902396578 0.23298415702350 0.69782276515166 18.998 > 63 65 F 0.14870958351947 0.54081494484286 0.71222755250516 18.998 > 65 66 F 0.64870958351947 0.54081494484286 0.71222755250516 18.998 > 65 67 F 0.35129041648053 0.04081494484286 0.78777244749484 18.998 > 67 68 F 0.85129041648053 0.04081494484286 0.78777244749484 18.998 > 67 69 F 0.49559097603422 0.73298415702350 0.80217723484834 18.998 > 69 70 F 0.99559097603422 0.73298415702350 0.80217723484834 18.998 > 69 71 F 0.25923998412169 0.74729185038791 0.80916763941329 18.998 > 71 72 F 0.75923998412169 0.74729185038791 0.80916763941329 18.998 > 71 73 F 0.06031746662171 0.92622666223456 0.87306488388046 18.998 > 73 74 F 0.56031746662171 0.92622666223456 0.87306488388046 18.998 > 73 75 F 0.24048220918178 0.39570574716892 0.90429001191573 18.998 > 75 76 F 0.74048220918178 0.39570574716892 0.90429001191573 18.998 > 75 77 F 0.00468708426420 0.39511815263353 0.91971587409788 18.998 > 77 78 F 0.50468708426420 0.39511815263353 0.91971587409788 18.998 > 77 79 F 0.14552776616842 0.14044189469469 0.96546042999370 18.998 > 79 80 F 0.64552776616842 0.14044189469469 0.96546042999370 18.998 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4777081 0.0000000 0.0132160 0.0000000 2.4937137 0.0000000 0.0132176 0.0000000 2.4946254 -------------------------- Born effective charges -------------------------- 1 Ba 2.6444659 -0.0391518 0.0613615 -0.0076906 2.5442063 -0.0917845 0.0331212 -0.1529447 2.7779861 2 Ba 2.4759433 -0.0265813 -0.0022611 0.0114037 2.8385014 0.0804378 0.0358192 0.0011734 2.6514072 3 Ba 2.4759433 0.0265813 -0.0022611 -0.0114037 2.8385014 -0.0804378 0.0358192 -0.0011734 2.6514072 4 Ba 2.6444659 0.0391518 0.0613615 0.0076906 2.5442063 0.0917845 0.0331212 0.1529447 2.7779861 5 Ba 2.6444659 0.0391518 0.0613615 0.0076906 2.5442063 0.0917845 0.0331212 0.1529447 2.7779861 6 Ba 2.4759433 0.0265813 -0.0022611 -0.0114037 2.8385014 -0.0804378 0.0358192 -0.0011734 2.6514072 7 Ba 2.4759433 -0.0265813 -0.0022611 0.0114037 2.8385014 0.0804378 0.0358192 0.0011734 2.6514072 8 Ba 2.6444659 -0.0391518 0.0613615 -0.0076906 2.5442063 -0.0917845 0.0331212 -0.1529447 2.7779861 9 Y 3.5517549 0.0492733 0.0589132 0.0543527 3.5641914 -0.2053325 0.0410207 -0.1365991 3.5259638 10 Y 3.5517549 -0.0492733 0.0589132 -0.0543527 3.5641914 0.2053325 0.0410207 0.1365991 3.5259638 11 Y 3.5517549 -0.0492733 0.0589132 -0.0543527 3.5641914 0.2053325 0.0410207 0.1365991 3.5259638 12 Y 3.5517549 0.0492733 0.0589132 0.0543527 3.5641914 -0.2053325 0.0410207 -0.1365991 3.5259638 13 F -1.1149007 -0.1056880 0.1754941 -0.1081624 -0.8537450 -0.0243193 0.1595748 -0.0246138 -1.8066237 14 F -1.1994730 -0.0233557 0.0916721 -0.0145560 -1.1262493 -0.0591975 0.1203185 -0.0338790 -1.4476264 15 F -1.2633004 -0.0266839 -0.1585633 -0.0148847 -1.1908888 -0.0124861 -0.1525184 0.0074486 -1.3280176 16 F -1.4075263 -0.1670902 -0.1881569 -0.1867008 -1.2129689 0.3037333 -0.1885124 0.2926787 -1.1454212 17 F -1.3048759 -0.1786581 0.0219741 -0.1786236 -1.3247385 -0.0286869 0.0169405 -0.0514305 -1.2228229 18 F -1.2404418 0.0811508 0.0518539 0.1160704 -1.4599487 -0.0160451 0.0499280 -0.0046471 -1.1458289 19 F -1.1416460 0.2043701 -0.1122877 0.1781851 -1.7783599 -0.1426051 -0.1156921 -0.1689932 -0.8590164 20 F -1.1416460 -0.2043701 -0.1122877 -0.1781851 -1.7783599 0.1426051 -0.1156921 0.1689932 -0.8590164 21 F -1.2404418 -0.0811508 0.0518539 -0.1160704 -1.4599487 0.0160451 0.0499280 0.0046471 -1.1458289 22 F -1.3048759 0.1786581 0.0219741 0.1786236 -1.3247385 0.0286869 0.0169405 0.0514305 -1.2228229 23 F -1.4075263 0.1670902 -0.1881569 0.1867008 -1.2129689 -0.3037333 -0.1885124 -0.2926787 -1.1454212 24 F -1.2633004 0.0266839 -0.1585633 0.0148847 -1.1908888 0.0124861 -0.1525184 -0.0074486 -1.3280176 25 F -1.1994730 0.0233557 0.0916721 0.0145560 -1.1262493 0.0591975 0.1203185 0.0338790 -1.4476264 26 F -1.1149007 0.1056880 0.1754941 0.1081624 -0.8537450 0.0243193 0.1595748 0.0246138 -1.8066237 27 F -1.1149007 0.1056880 0.1754941 0.1081624 -0.8537450 0.0243193 0.1595748 0.0246138 -1.8066237 28 F -1.1994730 0.0233557 0.0916721 0.0145560 -1.1262493 0.0591975 0.1203185 0.0338790 -1.4476264 29 F -1.2633004 0.0266839 -0.1585633 0.0148847 -1.1908888 0.0124861 -0.1525184 -0.0074486 -1.3280176 30 F -1.4075263 0.1670902 -0.1881569 0.1867008 -1.2129689 -0.3037333 -0.1885124 -0.2926787 -1.1454212 31 F -1.3048759 0.1786581 0.0219741 0.1786236 -1.3247385 0.0286869 0.0169405 0.0514305 -1.2228229 32 F -1.2404418 -0.0811508 0.0518539 -0.1160704 -1.4599487 0.0160451 0.0499280 0.0046471 -1.1458289 33 F -1.1416460 -0.2043701 -0.1122877 -0.1781851 -1.7783599 0.1426051 -0.1156921 0.1689932 -0.8590164 34 F -1.1416460 0.2043701 -0.1122877 0.1781851 -1.7783599 -0.1426051 -0.1156921 -0.1689932 -0.8590164 35 F -1.2404418 0.0811508 0.0518539 0.1160704 -1.4599487 -0.0160451 0.0499280 -0.0046471 -1.1458289 36 F -1.3048759 -0.1786581 0.0219741 -0.1786236 -1.3247385 -0.0286869 0.0169405 -0.0514305 -1.2228229 37 F -1.4075263 -0.1670902 -0.1881569 -0.1867008 -1.2129689 0.3037333 -0.1885124 0.2926787 -1.1454212 38 F -1.2633004 -0.0266839 -0.1585633 -0.0148847 -1.1908888 -0.0124861 -0.1525184 0.0074486 -1.3280176 39 F -1.1994730 -0.0233557 0.0916721 -0.0145560 -1.1262493 -0.0591975 0.1203185 -0.0338790 -1.4476264 40 F -1.1149007 -0.1056880 0.1754941 -0.1081624 -0.8537450 -0.0243193 0.1595748 -0.0246138 -1.8066237 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 9 4 6 ] 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: 0.48, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.598 ( 0.000 0.000 0.000) 0.000 1.669 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.640 ( 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 2.796 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 2.966 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.705 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.815 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 4.986 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.562 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 7.038 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.174 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.270 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.704 ( 0.000 0.000 0.000) 0.000 7.968 ( 0.000 0.000 0.000) 0.000 7.989 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.303 ( 0.000 0.000 0.000) 0.000 8.455 ( 0.000 0.000 0.000) 0.000 8.551 ( 0.000 0.000 0.000) 0.000 8.551 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 0.000) 0.000 8.828 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 9.078 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.247 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.551 ( 0.000 0.000 0.000) 0.000 9.598 ( 0.000 0.000 0.000) 0.000 9.601 ( 0.000 0.000 0.000) 0.000 9.615 ( 0.000 0.000 0.000) 0.000 9.841 ( 0.000 0.000 0.000) 0.000 10.067 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 0.000) 0.000 10.236 ( 0.000 0.000 0.000) 0.000 10.320 ( 0.000 0.000 0.000) 0.000 10.324 ( 0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 0.000) 0.000 10.506 ( 0.000 0.000 0.000) 0.000 10.664 ( 0.000 0.000 0.000) 0.000 10.695 ( 0.000 0.000 0.000) 0.000 10.716 ( 0.000 0.000 0.000) 0.000 10.773 ( 0.000 0.000 0.000) 0.000 11.231 ( 0.000 0.000 0.000) 0.000 11.564 ( 0.000 0.000 0.000) 0.000 12.184 ( 0.000 0.000 0.000) 0.000 12.796 ( 0.000 0.000 0.000) 0.000 12.979 ( 0.000 0.000 0.000) 0.000 13.006 ( 0.000 0.000 0.000) 0.000 13.009 ( 0.000 0.000 0.000) 0.000 13.135 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 25.309 0.000 2.427) 25.425 0.511 ( 26.342 0.000 0.044) 26.342 0.721 ( 36.139 0.000 -0.153) 36.139 1.548 ( -11.701 0.000 3.033) 12.087 1.672 ( 7.093 0.000 1.562) 7.263 1.893 ( 1.824 0.000 2.289) 2.927 1.914 ( 0.983 0.000 0.335) 1.038 1.995 ( -6.753 0.000 1.961) 7.032 2.000 ( 2.475 0.000 -0.570) 2.540 2.089 ( -4.624 0.000 -5.427) 7.129 2.326 ( -1.657 0.000 -6.511) 6.718 2.390 ( -8.112 0.000 2.898) 8.615 2.457 ( -8.588 0.000 -4.113) 9.522 2.488 ( -1.131 0.000 3.473) 3.652 2.593 ( -8.505 0.000 3.364) 9.146 2.649 ( 0.897 0.000 2.204) 2.379 2.659 ( -2.127 0.000 -0.580) 2.204 2.690 ( 0.487 0.000 9.098) 9.111 2.823 ( -0.356 0.000 -3.258) 3.277 2.906 ( 4.662 0.000 -3.166) 5.636 2.989 ( 4.876 0.000 -2.612) 5.531 3.065 ( 3.883 0.000 -4.237) 5.748 3.147 ( 2.023 0.000 -5.190) 5.570 3.163 ( -0.039 0.000 -3.236) 3.237 3.204 ( -5.890 0.000 -1.796) 6.157 3.225 ( -0.566 0.000 -1.910) 1.992 3.329 ( -4.120 0.000 -0.047) 4.121 3.497 ( -9.978 0.000 1.177) 10.047 3.617 ( 2.361 0.000 0.131) 2.365 3.674 ( 0.956 0.000 1.771) 2.013 3.764 ( -2.257 0.000 -10.378) 10.621 3.811 ( -0.197 0.000 -3.926) 3.931 3.979 ( 0.346 0.000 2.732) 2.754 4.037 ( -2.885 0.000 0.118) 2.887 4.040 ( 6.504 0.000 2.594) 7.002 4.173 ( 0.854 0.000 6.818) 6.871 4.198 ( 1.723 0.000 -0.649) 1.841 4.393 ( 2.646 0.000 -0.138) 2.650 4.398 ( 3.091 0.000 -0.956) 3.235 4.401 ( 5.120 0.000 -2.302) 5.614 4.506 ( -0.133 0.000 -2.466) 2.470 4.534 ( 1.192 0.000 2.707) 2.958 4.599 ( -1.395 0.000 -0.228) 1.414 4.627 ( 0.168 0.000 2.102) 2.109 4.668 ( 0.151 0.000 0.485) 0.507 4.819 ( 0.465 0.000 1.497) 1.567 4.909 ( -4.821 0.000 2.868) 5.610 4.914 ( 1.642 0.000 -0.802) 1.828 5.022 ( 2.626 0.000 3.449) 4.335 5.067 ( -4.210 0.000 2.574) 4.934 5.142 ( 4.867 0.000 -1.813) 5.194 5.190 ( 3.138 0.000 -3.247) 4.515 5.266 ( 1.124 0.000 1.400) 1.795 5.310 ( 2.538 0.000 -1.326) 2.864 5.324 ( -0.334 0.000 0.643) 0.724 5.506 ( 2.988 0.000 -1.083) 3.179 5.608 ( 1.488 0.000 0.199) 1.502 5.670 ( 5.648 0.000 2.214) 6.067 5.701 ( 4.389 0.000 -0.710) 4.446 5.897 ( 1.697 0.000 0.610) 1.803 5.923 ( 1.240 0.000 -0.225) 1.260 6.156 ( 0.538 0.000 1.633) 1.719 6.343 ( 1.106 0.000 3.178) 3.365 6.559 ( -0.430 0.000 3.984) 4.007 6.598 ( 3.196 0.000 -0.950) 3.334 6.900 ( 1.881 0.000 -0.263) 1.899 7.025 ( -1.375 0.000 -1.207) 1.829 7.056 ( 1.836 0.000 -0.740) 1.979 7.109 ( -2.407 0.000 5.938) 6.407 7.178 ( -0.873 0.000 2.323) 2.482 7.237 ( 1.053 0.000 0.342) 1.107 7.299 ( 0.490 0.000 0.091) 0.498 7.310 ( 4.278 0.000 -3.230) 5.361 7.343 ( 4.796 0.000 1.522) 5.032 7.432 ( 6.605 0.000 -2.276) 6.986 7.458 ( 2.116 0.000 -2.995) 3.667 7.586 ( 3.168 0.000 -0.926) 3.300 7.759 ( 5.617 0.000 0.228) 5.622 7.946 ( 0.490 0.000 -10.819) 10.830 8.007 ( 3.794 0.000 0.814) 3.881 8.085 ( 1.370 0.000 -5.340) 5.513 8.331 ( 3.109 0.000 1.569) 3.482 8.446 ( -0.677 0.000 1.426) 1.579 8.525 ( -1.817 0.000 -0.346) 1.849 8.555 ( -0.448 0.000 -0.834) 0.947 8.601 ( 0.951 0.000 -8.481) 8.534 8.644 ( 0.556 0.000 12.763) 12.775 8.814 ( -1.322 0.000 -1.695) 2.149 8.897 ( -2.933 0.000 -1.441) 3.268 8.931 ( 0.540 0.000 2.144) 2.211 9.068 ( -0.826 0.000 -0.842) 1.179 9.253 ( 0.758 0.000 3.137) 3.227 9.259 ( 1.597 0.000 0.545) 1.687 9.278 ( 1.318 0.000 -7.767) 7.878 9.418 ( 0.230 0.000 1.170) 1.192 9.471 ( -1.826 0.000 7.684) 7.898 9.552 ( 0.149 0.000 -0.980) 0.991 9.552 ( -3.129 0.000 -3.581) 4.756 9.601 ( -1.610 0.000 -0.577) 1.711 9.637 ( 0.967 0.000 1.216) 1.553 9.828 ( -6.077 0.000 2.228) 6.472 10.044 ( -2.441 0.000 -0.516) 2.495 10.160 ( 0.851 0.000 8.737) 8.778 10.260 ( -4.007 0.000 0.239) 4.014 10.287 ( -3.454 0.000 -0.136) 3.457 10.418 ( 2.718 0.000 2.027) 3.391 10.478 ( -4.074 0.000 8.680) 9.588 10.482 ( -0.851 0.000 -3.190) 3.302 10.742 ( 6.729 0.000 -0.592) 6.755 10.779 ( 1.329 0.000 0.114) 1.334 10.808 ( 9.309 0.000 13.420) 16.333 11.149 ( -8.352 0.000 -0.284) 8.357 11.527 ( -3.795 0.000 1.831) 4.214 12.088 ( -9.542 0.000 -0.809) 9.576 12.552 ( -3.275 0.000 -33.165) 33.326 12.809 ( -6.064 0.000 13.296) 14.613 12.975 ( -0.326 0.000 0.349) 0.477 13.010 ( 0.114 0.000 -0.927) 0.934 13.013 ( 0.639 0.000 1.099) 1.272 13.139 ( -2.221 0.000 -0.043) 2.221 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 23.465 0.000 1.866) 23.539 1.006 ( 24.886 0.000 -0.258) 24.887 1.294 ( -12.755 0.000 1.697) 12.868 1.358 ( 29.079 0.000 0.406) 29.082 1.756 ( -12.028 0.000 -0.823) 12.056 1.788 ( -13.009 0.000 5.784) 14.237 1.854 ( 7.269 0.000 0.042) 7.269 1.971 ( 4.891 0.000 0.355) 4.904 2.049 ( 1.657 0.000 -5.404) 5.652 2.129 ( 10.252 0.000 0.825) 10.285 2.227 ( -9.534 0.000 1.962) 9.733 2.274 ( -9.480 0.000 -3.529) 10.115 2.364 ( 4.392 0.000 -2.677) 5.143 2.416 ( -7.464 0.000 3.792) 8.372 2.454 ( -1.291 0.000 0.741) 1.489 2.596 ( -3.841 0.000 0.192) 3.845 2.616 ( -4.608 0.000 3.907) 6.041 2.728 ( 2.330 0.000 7.044) 7.420 2.811 ( -2.385 0.000 -2.043) 3.141 2.919 ( -2.685 0.000 -4.039) 4.850 2.960 ( -13.934 0.000 -8.548) 16.347 3.031 ( -8.021 0.000 -4.148) 9.030 3.094 ( 1.909 0.000 -2.460) 3.114 3.167 ( -0.475 0.000 1.712) 1.776 3.208 ( 0.616 0.000 -2.277) 2.358 3.292 ( 9.410 0.000 -3.415) 10.011 3.298 ( 0.767 0.000 3.898) 3.972 3.360 ( -3.260 0.000 -0.055) 3.261 3.567 ( -6.559 0.000 4.838) 8.150 3.696 ( 1.546 0.000 1.310) 2.027 3.746 ( -0.402 0.000 -9.618) 9.626 3.780 ( -3.103 0.000 1.478) 3.437 3.945 ( -6.929 0.000 -2.829) 7.484 3.978 ( 0.762 0.000 2.462) 2.577 4.161 ( 4.473 0.000 0.912) 4.565 4.184 ( 1.392 0.000 3.599) 3.858 4.247 ( 3.169 0.000 -1.235) 3.401 4.440 ( 1.769 0.000 -1.573) 2.368 4.448 ( 1.407 0.000 0.034) 1.407 4.511 ( 0.868 0.000 -1.561) 1.786 4.536 ( 8.210 0.000 -2.704) 8.644 4.560 ( -3.030 0.000 -0.559) 3.081 4.562 ( 2.117 0.000 3.411) 4.015 4.658 ( 2.836 0.000 2.116) 3.538 4.693 ( 2.105 0.000 1.831) 2.790 4.830 ( -3.835 0.000 2.742) 4.715 4.838 ( 1.820 0.000 1.902) 2.632 4.941 ( 0.234 0.000 -0.351) 0.422 4.998 ( -1.549 0.000 -0.212) 1.563 5.077 ( 2.982 0.000 0.828) 3.095 5.226 ( 3.521 0.000 -2.778) 4.485 5.255 ( 3.448 0.000 -0.526) 3.487 5.293 ( 1.430 0.000 0.733) 1.607 5.336 ( 1.554 0.000 -0.329) 1.589 5.346 ( 1.564 0.000 -3.046) 3.424 5.584 ( 4.192 0.000 -2.328) 4.795 5.657 ( 3.922 0.000 0.379) 3.940 5.797 ( 6.947 0.000 1.051) 7.026 5.831 ( 8.349 0.000 1.997) 8.584 5.939 ( 2.292 0.000 0.893) 2.460 5.955 ( 1.948 0.000 -0.427) 1.994 6.176 ( 1.408 0.000 3.037) 3.348 6.372 ( 1.688 0.000 5.391) 5.649 6.551 ( -0.277 0.000 4.994) 5.002 6.656 ( 2.079 0.000 -0.960) 2.290 6.931 ( 1.557 0.000 -1.140) 1.930 7.038 ( 2.179 0.000 -1.185) 2.480 7.090 ( 1.068 0.000 5.559) 5.661 7.102 ( 2.282 0.000 -0.473) 2.330 7.172 ( 0.990 0.000 1.463) 1.766 7.278 ( 2.150 0.000 -1.310) 2.518 7.323 ( 3.143 0.000 -1.174) 3.356 7.372 ( 2.108 0.000 0.926) 2.302 7.465 ( 7.263 0.000 -1.332) 7.384 7.479 ( 1.959 0.000 -4.554) 4.958 7.610 ( 9.665 0.000 -2.481) 9.979 7.671 ( 5.313 0.000 -1.197) 5.446 7.899 ( 7.774 0.000 -0.913) 7.827 7.954 ( 0.400 0.000 -4.149) 4.168 8.097 ( 5.173 0.000 0.426) 5.191 8.115 ( 1.667 0.000 -7.799) 7.975 8.432 ( 5.902 0.000 5.222) 7.881 8.436 ( -0.374 0.000 0.678) 0.775 8.487 ( -0.791 0.000 -2.031) 2.180 8.541 ( -0.118 0.000 -0.655) 0.666 8.618 ( 0.945 0.000 -5.594) 5.673 8.665 ( 1.355 0.000 12.083) 12.159 8.778 ( -2.430 0.000 -2.843) 3.740 8.824 ( -4.162 0.000 -2.394) 4.801 8.934 ( -0.029 0.000 4.576) 4.576 9.061 ( 0.314 0.000 -2.055) 2.079 9.278 ( 1.691 0.000 4.970) 5.250 9.283 ( -1.340 0.000 -3.057) 3.338 9.312 ( 3.647 0.000 -0.629) 3.701 9.392 ( -4.015 0.000 -1.058) 4.152 9.417 ( -3.006 0.000 3.838) 4.876 9.509 ( -0.255 0.000 0.509) 0.569 9.556 ( 0.232 0.000 -1.116) 1.140 9.581 ( -0.631 0.000 1.114) 1.280 9.648 ( 0.202 0.000 -1.091) 1.110 9.700 ( -6.786 0.000 -1.586) 6.969 9.970 ( -5.315 0.000 -1.131) 5.434 10.091 ( -8.415 0.000 4.741) 9.659 10.175 ( -4.863 0.000 -0.825) 4.932 10.234 ( -1.664 0.000 3.334) 3.726 10.398 ( -4.287 0.000 -0.600) 4.328 10.435 ( 0.291 0.000 -1.025) 1.065 10.521 ( 3.832 0.000 -1.229) 4.025 10.826 ( 3.823 0.000 0.902) 3.928 10.882 ( 6.940 0.000 -3.130) 7.613 10.929 ( -13.523 0.000 2.113) 13.687 11.023 ( 11.619 0.000 11.027) 16.019 11.429 ( -6.142 0.000 4.058) 7.361 11.848 ( -14.388 0.000 -2.129) 14.545 12.423 ( -10.067 0.000 -13.842) 17.116 12.678 ( -6.375 0.000 0.996) 6.452 12.968 ( -0.457 0.000 0.246) 0.519 13.011 ( 0.042 0.000 -1.165) 1.165 13.029 ( 0.882 0.000 1.638) 1.861 13.103 ( -1.354 0.000 0.568) 1.468 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -4.461 0.000 -3.372) 5.592 1.370 ( 13.814 0.000 3.594) 14.274 1.395 ( -1.163 0.000 0.027) 1.163 1.513 ( 8.765 0.000 -3.416) 9.408 1.544 ( -8.232 0.000 2.642) 8.646 1.836 ( 17.595 0.000 3.110) 17.868 1.998 ( -7.491 0.000 3.954) 8.471 2.012 ( 6.474 0.000 -2.438) 6.918 2.073 ( 1.030 0.000 0.860) 1.342 2.117 ( 6.010 0.000 -3.267) 6.840 2.194 ( 0.013 0.000 3.241) 3.241 2.302 ( -4.916 0.000 -4.056) 6.374 2.345 ( 10.187 0.000 1.323) 10.272 2.394 ( -0.343 0.000 -0.177) 0.386 2.502 ( -0.288 0.000 0.358) 0.459 2.512 ( -5.155 0.000 3.483) 6.221 2.548 ( 4.906 0.000 -0.068) 4.906 2.588 ( -17.472 0.000 -4.869) 18.137 2.711 ( -10.116 0.000 -1.442) 10.218 2.757 ( -0.912 0.000 5.028) 5.110 2.827 ( -10.095 0.000 -2.192) 10.330 2.875 ( -3.851 0.000 -5.833) 6.990 3.131 ( -2.586 0.000 3.446) 4.308 3.139 ( 0.592 0.000 -1.723) 1.821 3.224 ( 0.362 0.000 -1.639) 1.679 3.284 ( -3.188 0.000 0.966) 3.331 3.323 ( 0.631 0.000 1.499) 1.626 3.433 ( -5.737 0.000 2.673) 6.329 3.477 ( 7.237 0.000 -1.061) 7.315 3.699 ( -4.447 0.000 -4.610) 6.405 3.702 ( -3.315 0.000 0.075) 3.316 3.762 ( 5.189 0.000 2.360) 5.700 3.820 ( -4.129 0.000 -4.275) 5.943 4.041 ( 5.183 0.000 0.198) 5.187 4.178 ( -2.500 0.000 -1.178) 2.764 4.234 ( 2.801 0.000 0.799) 2.912 4.309 ( 2.775 0.000 -0.098) 2.777 4.440 ( -3.804 0.000 4.726) 6.066 4.456 ( 0.038 0.000 -1.306) 1.307 4.487 ( -2.193 0.000 -1.294) 2.547 4.542 ( 2.279 0.000 -3.954) 4.564 4.610 ( 2.757 0.000 1.509) 3.142 4.667 ( 3.046 0.000 0.565) 3.098 4.701 ( 0.331 0.000 1.197) 1.242 4.739 ( 3.506 0.000 1.522) 3.822 4.765 ( -1.998 0.000 2.596) 3.276 4.903 ( 3.285 0.000 -2.220) 3.965 4.925 ( 0.622 0.000 2.200) 2.286 5.012 ( 1.603 0.000 -0.705) 1.751 5.134 ( 2.919 0.000 -0.753) 3.015 5.266 ( 0.957 0.000 -2.151) 2.354 5.299 ( -0.755 0.000 0.655) 1.000 5.316 ( 2.829 0.000 1.456) 3.182 5.373 ( 1.955 0.000 -1.514) 2.473 5.400 ( 3.714 0.000 -1.450) 3.987 5.644 ( 2.258 0.000 -1.034) 2.484 5.745 ( 4.300 0.000 -1.058) 4.429 5.924 ( 5.672 0.000 0.804) 5.729 5.975 ( 1.341 0.000 0.941) 1.638 5.978 ( 5.229 0.000 1.782) 5.524 5.996 ( 3.162 0.000 -0.135) 3.165 6.205 ( 1.371 0.000 2.838) 3.152 6.404 ( 1.409 0.000 5.674) 5.847 6.554 ( 0.452 0.000 3.273) 3.304 6.676 ( 0.420 0.000 0.078) 0.427 6.955 ( 0.550 0.000 -2.251) 2.317 7.079 ( 2.007 0.000 -0.055) 2.007 7.130 ( 2.296 0.000 2.825) 3.640 7.162 ( 4.240 0.000 2.631) 4.990 7.230 ( 4.447 0.000 0.609) 4.488 7.297 ( 0.755 0.000 -2.602) 2.709 7.396 ( 0.422 0.000 1.393) 1.456 7.412 ( 4.108 0.000 -2.426) 4.771 7.533 ( 4.005 0.000 -3.654) 5.421 7.612 ( 8.165 0.000 -1.532) 8.307 7.768 ( 4.314 0.000 -0.621) 4.358 7.787 ( 8.142 0.000 -1.085) 8.214 7.958 ( 0.147 0.000 -1.695) 1.701 8.002 ( 2.132 0.000 -1.801) 2.790 8.137 ( 0.563 0.000 -6.942) 6.965 8.194 ( 3.842 0.000 -0.716) 3.908 8.414 ( -2.641 0.000 1.431) 3.004 8.430 ( -0.321 0.000 -1.633) 1.664 8.522 ( 1.538 0.000 0.065) 1.540 8.625 ( -0.713 0.000 0.274) 0.764 8.687 ( 11.062 0.000 1.611) 11.179 8.713 ( 3.982 0.000 6.040) 7.234 8.745 ( 2.568 0.000 0.386) 2.596 8.762 ( -1.537 0.000 -1.766) 2.341 8.949 ( 1.554 0.000 4.970) 5.207 9.064 ( -0.364 0.000 -3.617) 3.635 9.206 ( -5.493 0.000 -0.615) 5.527 9.266 ( -7.125 0.000 -2.367) 7.508 9.320 ( 1.174 0.000 5.498) 5.622 9.374 ( -0.941 0.000 -0.096) 0.946 9.403 ( 3.878 0.000 2.182) 4.450 9.531 ( -3.779 0.000 1.553) 4.086 9.534 ( 1.756 0.000 3.654) 4.054 9.568 ( -0.679 0.000 -2.003) 2.115 9.604 ( -2.263 0.000 -2.176) 3.140 9.639 ( -1.429 0.000 -3.486) 3.768 9.849 ( -6.206 0.000 -0.949) 6.279 9.897 ( -10.207 0.000 1.909) 10.384 10.075 ( -5.501 0.000 -2.598) 6.084 10.204 ( -1.663 0.000 3.322) 3.716 10.317 ( -3.895 0.000 -0.771) 3.971 10.439 ( -1.539 0.000 -1.129) 1.909 10.572 ( -1.519 0.000 -8.360) 8.497 10.698 ( -4.633 0.000 7.084) 8.464 10.922 ( 5.825 0.000 0.779) 5.877 10.993 ( 3.575 0.000 -0.550) 3.617 11.221 ( 7.948 0.000 8.290) 11.485 11.305 ( -6.446 0.000 5.377) 8.394 11.581 ( -12.051 0.000 -3.503) 12.550 12.191 ( -12.099 0.000 -5.621) 13.341 12.585 ( -3.418 0.000 -3.521) 4.908 12.959 ( -0.377 0.000 0.039) 0.379 13.011 ( -0.026 0.000 -0.865) 0.865 13.046 ( 0.795 0.000 1.454) 1.657 13.086 ( -0.572 0.000 0.319) 0.655 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 4.347 0.000 -6.602) 7.905 1.213 ( -6.423 0.000 -0.680) 6.458 1.272 ( -9.090 0.000 5.857) 10.814 1.662 ( 4.409 0.000 1.082) 4.540 1.851 ( 15.338 0.000 0.244) 15.340 1.976 ( 7.100 0.000 8.362) 10.970 2.041 ( -0.942 0.000 -7.389) 7.449 2.071 ( 5.060 0.000 7.030) 8.662 2.086 ( -2.022 0.000 -4.383) 4.827 2.139 ( -3.003 0.000 -1.796) 3.499 2.217 ( -7.241 0.000 -3.016) 7.844 2.247 ( 3.412 0.000 -2.922) 4.492 2.356 ( -2.580 0.000 -0.559) 2.639 2.385 ( -0.899 0.000 1.005) 1.349 2.456 ( -3.007 0.000 3.211) 4.399 2.472 ( 4.271 0.000 -2.428) 4.913 2.532 ( 4.630 0.000 2.422) 5.225 2.543 ( -2.924 0.000 -4.081) 5.021 2.596 ( -4.385 0.000 2.099) 4.861 2.659 ( -4.838 0.000 3.480) 5.960 2.750 ( -7.216 0.000 -0.960) 7.279 2.788 ( 3.540 0.000 -1.039) 3.690 3.084 ( -1.956 0.000 4.308) 4.731 3.100 ( -2.660 0.000 -3.601) 4.477 3.215 ( -0.585 0.000 0.958) 1.123 3.259 ( 0.024 0.000 -1.211) 1.211 3.337 ( 0.880 0.000 3.171) 3.291 3.362 ( -2.294 0.000 -2.225) 3.196 3.560 ( 1.807 0.000 1.235) 2.189 3.628 ( -1.813 0.000 -0.648) 1.926 3.655 ( -1.333 0.000 -0.409) 1.395 3.795 ( 0.714 0.000 -4.124) 4.186 3.911 ( 9.187 0.000 0.020) 9.187 4.076 ( -6.949 0.000 -1.597) 7.130 4.141 ( 3.191 0.000 0.616) 3.249 4.240 ( -2.495 0.000 0.947) 2.669 4.344 ( 0.878 0.000 0.006) 0.878 4.351 ( -2.235 0.000 1.906) 2.937 4.443 ( -0.975 0.000 -0.309) 1.023 4.474 ( -0.202 0.000 -0.023) 0.203 4.606 ( 3.525 0.000 -2.504) 4.324 4.654 ( 1.693 0.000 -0.201) 1.705 4.676 ( -0.652 0.000 1.396) 1.541 4.686 ( -0.763 0.000 0.754) 1.073 4.742 ( -1.402 0.000 1.643) 2.160 4.805 ( 2.197 0.000 0.728) 2.314 4.894 ( -0.853 0.000 -0.704) 1.106 5.006 ( 3.496 0.000 -0.799) 3.586 5.034 ( 0.346 0.000 0.511) 0.617 5.189 ( 2.681 0.000 -1.141) 2.914 5.250 ( -2.130 0.000 0.431) 2.173 5.298 ( 0.422 0.000 -0.265) 0.499 5.358 ( 1.254 0.000 0.978) 1.590 5.399 ( 0.699 0.000 -0.885) 1.128 5.455 ( 1.588 0.000 -0.483) 1.660 5.673 ( 0.776 0.000 -0.275) 0.823 5.802 ( 1.508 0.000 -0.645) 1.640 5.990 ( 0.317 0.000 0.486) 0.580 5.999 ( 1.952 0.000 0.508) 2.017 6.015 ( 0.765 0.000 -0.217) 0.795 6.074 ( 2.391 0.000 0.604) 2.466 6.223 ( 0.452 0.000 1.132) 1.219 6.426 ( 0.644 0.000 2.507) 2.588 6.563 ( 0.296 0.000 1.024) 1.065 6.682 ( 0.257 0.000 0.402) 0.477 6.954 ( -0.201 0.000 -1.239) 1.256 7.110 ( 0.936 0.000 0.185) 0.954 7.159 ( 0.647 0.000 -0.125) 0.659 7.246 ( 3.232 0.000 4.492) 5.533 7.311 ( 3.270 0.000 0.383) 3.292 7.312 ( 0.451 0.000 -2.914) 2.949 7.389 ( -1.071 0.000 0.350) 1.127 7.455 ( 0.855 0.000 -2.143) 2.307 7.606 ( 2.402 0.000 -0.744) 2.514 7.768 ( 7.100 0.000 -1.660) 7.291 7.822 ( 0.977 0.000 0.563) 1.128 7.900 ( 3.221 0.000 -0.048) 3.221 7.967 ( 0.776 0.000 -0.089) 0.781 7.983 ( -3.104 0.000 -0.215) 3.112 8.129 ( -0.911 0.000 -3.345) 3.467 8.217 ( -0.288 0.000 -0.665) 0.725 8.384 ( -0.597 0.000 -0.115) 0.608 8.424 ( -0.174 0.000 -1.276) 1.288 8.553 ( 0.725 0.000 -0.008) 0.725 8.600 ( -1.078 0.000 0.623) 1.245 8.760 ( 0.535 0.000 -0.030) 0.536 8.784 ( 6.108 0.000 0.663) 6.144 8.804 ( 3.772 0.000 1.309) 3.993 8.950 ( 0.963 0.000 2.828) 2.987 8.980 ( 5.686 0.000 3.120) 6.486 9.067 ( 0.552 0.000 -2.718) 2.774 9.123 ( -2.247 0.000 0.534) 2.309 9.146 ( 0.154 0.000 -3.673) 3.676 9.312 ( -4.557 0.000 5.430) 7.088 9.338 ( -0.867 0.000 -0.194) 0.889 9.437 ( -5.536 0.000 0.075) 5.536 9.484 ( 3.312 0.000 1.121) 3.496 9.513 ( -3.555 0.000 -1.051) 3.707 9.540 ( -1.343 0.000 0.337) 1.385 9.586 ( -0.361 0.000 -1.975) 2.008 9.611 ( -0.226 0.000 -1.250) 1.270 9.761 ( -3.250 0.000 0.390) 3.273 9.817 ( 3.958 0.000 2.524) 4.694 9.950 ( -7.656 0.000 -4.273) 8.768 10.178 ( -0.829 0.000 1.269) 1.516 10.260 ( -1.677 0.000 -0.164) 1.685 10.330 ( -5.392 0.000 -0.650) 5.431 10.544 ( 0.311 0.000 -1.673) 1.702 10.754 ( 4.936 0.000 0.551) 4.967 10.986 ( -3.751 0.000 2.494) 4.504 11.024 ( 3.694 0.000 0.216) 3.701 11.221 ( -1.576 0.000 0.735) 1.739 11.314 ( 1.732 0.000 3.460) 3.869 11.423 ( -4.060 0.000 -1.486) 4.323 12.015 ( -5.066 0.000 -1.875) 5.402 12.540 ( -1.198 0.000 -1.762) 2.130 12.954 ( -0.142 0.000 -0.018) 0.143 13.010 ( -0.020 0.000 -0.311) 0.312 13.057 ( 0.323 0.000 0.572) 0.657 13.079 ( -0.159 0.000 0.090) 0.183 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 0.000 23.045 0.000) 23.045 0.502 ( 0.000 25.808 0.000) 25.808 0.893 ( 0.000 44.885 0.000) 44.885 1.303 ( 0.000 -20.007 0.000) 20.007 1.433 ( 0.000 -20.936 0.000) 20.936 2.032 ( 0.000 11.966 0.000) 11.966 2.055 ( 0.000 0.191 0.000) 0.191 2.055 ( 0.000 6.213 0.000) 6.213 2.135 ( 0.000 8.052 0.000) 8.052 2.167 ( 0.000 10.498 0.000) 10.498 2.329 ( 0.000 -19.944 0.000) 19.944 2.396 ( 0.000 2.105 0.000) 2.105 2.405 ( 0.000 -5.715 0.000) 5.715 2.505 ( 0.000 -10.217 0.000) 10.217 2.575 ( 0.000 -8.416 0.000) 8.416 2.632 ( 0.000 5.136 0.000) 5.136 2.636 ( 0.000 -1.962 0.000) 1.962 2.722 ( 0.000 2.153 0.000) 2.153 2.777 ( 0.000 2.356 0.000) 2.356 2.814 ( 0.000 -6.480 0.000) 6.480 2.850 ( 0.000 3.267 0.000) 3.267 2.949 ( 0.000 -1.018 0.000) 1.018 3.074 ( 0.000 -0.048 0.000) 0.048 3.190 ( 0.000 -5.920 0.000) 5.920 3.247 ( 0.000 0.828 0.000) 0.828 3.284 ( 0.000 4.981 0.000) 4.981 3.302 ( 0.000 0.980 0.000) 0.980 3.521 ( 0.000 -3.282 0.000) 3.282 3.663 ( 0.000 -3.033 0.000) 3.033 3.702 ( 0.000 -1.294 0.000) 1.294 3.709 ( 0.000 2.034 0.000) 2.034 3.767 ( 0.000 -3.866 0.000) 3.866 3.884 ( 0.000 -0.337 0.000) 0.337 3.935 ( 0.000 -2.691 0.000) 2.691 4.104 ( 0.000 8.942 0.000) 8.942 4.187 ( 0.000 2.882 0.000) 2.882 4.326 ( 0.000 -1.448 0.000) 1.448 4.336 ( 0.000 -1.338 0.000) 1.338 4.376 ( 0.000 1.314 0.000) 1.314 4.448 ( 0.000 3.119 0.000) 3.119 4.453 ( 0.000 -2.948 0.000) 2.948 4.514 ( 0.000 -0.567 0.000) 0.567 4.614 ( 0.000 -0.679 0.000) 0.679 4.650 ( 0.000 1.601 0.000) 1.601 4.719 ( 0.000 -1.697 0.000) 1.697 4.731 ( 0.000 -1.168 0.000) 1.168 4.814 ( 0.000 -0.361 0.000) 0.361 4.906 ( 0.000 -0.116 0.000) 0.116 5.018 ( 0.000 1.780 0.000) 1.780 5.075 ( 0.000 4.343 0.000) 4.343 5.110 ( 0.000 -1.905 0.000) 1.905 5.221 ( 0.000 -2.651 0.000) 2.651 5.227 ( 0.000 1.433 0.000) 1.433 5.262 ( 0.000 -0.385 0.000) 0.385 5.423 ( 0.000 8.424 0.000) 8.424 5.493 ( 0.000 1.352 0.000) 1.352 5.567 ( 0.000 -1.320 0.000) 1.320 5.691 ( 0.000 2.915 0.000) 2.915 5.781 ( 0.000 -5.709 0.000) 5.709 5.825 ( 0.000 -3.516 0.000) 3.516 6.069 ( 0.000 1.122 0.000) 1.122 6.133 ( 0.000 -1.525 0.000) 1.525 6.350 ( 0.000 1.760 0.000) 1.760 6.463 ( 0.000 -4.322 0.000) 4.322 6.687 ( 0.000 6.630 0.000) 6.630 6.902 ( 0.000 -3.959 0.000) 3.959 7.049 ( 0.000 0.864 0.000) 0.864 7.049 ( 0.000 0.717 0.000) 0.717 7.152 ( 0.000 -0.924 0.000) 0.924 7.206 ( 0.000 -2.142 0.000) 2.142 7.211 ( 0.000 2.466 0.000) 2.466 7.283 ( 0.000 1.327 0.000) 1.327 7.288 ( 0.000 0.829 0.000) 0.829 7.326 ( 0.000 1.228 0.000) 1.228 7.335 ( 0.000 -1.054 0.000) 1.054 7.361 ( 0.000 -2.164 0.000) 2.164 7.465 ( 0.000 1.575 0.000) 1.575 7.537 ( 0.000 -1.744 0.000) 1.744 7.744 ( 0.000 4.269 0.000) 4.269 8.013 ( 0.000 2.317 0.000) 2.317 8.016 ( 0.000 -6.026 0.000) 6.026 8.177 ( 0.000 -7.316 0.000) 7.316 8.410 ( 0.000 1.287 0.000) 1.287 8.503 ( 0.000 -3.123 0.000) 3.123 8.593 ( 0.000 7.116 0.000) 7.116 8.632 ( 0.000 2.102 0.000) 2.102 8.635 ( 0.000 3.122 0.000) 3.122 8.803 ( 0.000 -2.465 0.000) 2.465 8.929 ( 0.000 0.402 0.000) 0.402 9.019 ( 0.000 2.170 0.000) 2.170 9.034 ( 0.000 -3.866 0.000) 3.866 9.176 ( 0.000 -3.717 0.000) 3.717 9.240 ( 0.000 0.362 0.000) 0.362 9.249 ( 0.000 0.221 0.000) 0.221 9.438 ( 0.000 2.487 0.000) 2.487 9.455 ( 0.000 3.306 0.000) 3.306 9.551 ( 0.000 0.104 0.000) 0.104 9.605 ( 0.000 -0.063 0.000) 0.063 9.614 ( 0.000 0.157 0.000) 0.157 9.639 ( 0.000 -0.586 0.000) 0.586 9.846 ( 0.000 0.254 0.000) 0.254 9.995 ( 0.000 -9.754 0.000) 9.754 10.165 ( 0.000 -3.557 0.000) 3.557 10.208 ( 0.000 -3.801 0.000) 3.801 10.385 ( 0.000 3.781 0.000) 3.781 10.524 ( 0.000 -2.418 0.000) 2.418 10.543 ( 0.000 3.441 0.000) 3.441 10.567 ( 0.000 6.318 0.000) 6.318 10.685 ( 0.000 -1.846 0.000) 1.846 10.708 ( 0.000 -0.955 0.000) 0.955 10.871 ( 0.000 9.063 0.000) 9.063 11.184 ( 0.000 -4.786 0.000) 4.786 11.405 ( 0.000 11.873 0.000) 11.873 12.027 ( 0.000 -14.352 0.000) 14.352 12.829 ( 0.000 2.171 0.000) 2.171 12.884 ( 0.000 -0.984 0.000) 0.984 12.993 ( 0.000 1.115 0.000) 1.115 13.009 ( 0.000 0.209 0.000) 0.209 13.193 ( 0.000 5.772 0.000) 5.772 13.443 ( 0.000 -4.396 0.000) 4.396 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 12.661 15.702 -2.743) 20.357 0.679 ( 19.554 15.179 3.180) 24.958 1.188 ( 23.341 33.036 0.630) 40.454 1.337 ( -2.660 -17.180 0.427) 17.390 1.422 ( 5.730 -17.883 1.505) 18.839 1.912 ( -10.714 0.895 5.196) 11.941 2.022 ( -6.547 -0.951 0.718) 6.655 2.062 ( 1.505 10.052 0.592) 10.181 2.126 ( 1.648 10.598 -3.494) 11.280 2.193 ( 0.557 10.701 -1.723) 10.854 2.303 ( -3.140 -5.452 -1.877) 6.566 2.351 ( -1.047 -1.422 1.838) 2.549 2.418 ( -3.272 -5.167 1.454) 6.287 2.484 ( -1.476 -0.417 -3.906) 4.196 2.570 ( -4.102 -2.701 -1.353) 5.094 2.605 ( -2.882 -7.060 1.066) 7.700 2.636 ( 0.514 -2.145 3.481) 4.121 2.682 ( 2.676 -4.312 2.970) 5.880 2.745 ( -0.622 -0.916 1.023) 1.508 2.831 ( 1.239 -9.545 -3.148) 10.127 2.935 ( 4.322 3.828 -1.646) 6.004 3.024 ( -0.272 -0.942 -2.474) 2.661 3.121 ( 4.402 -8.040 -0.519) 9.181 3.147 ( -4.415 -2.832 -1.780) 5.539 3.190 ( -4.146 0.873 -2.293) 4.818 3.233 ( -0.678 1.867 1.307) 2.378 3.317 ( -2.129 4.907 -3.011) 6.138 3.539 ( -1.559 -2.789 2.865) 4.291 3.600 ( -4.675 0.467 -2.096) 5.144 3.628 ( -1.483 -7.109 -6.088) 9.477 3.731 ( -0.208 1.540 1.407) 2.097 3.758 ( 0.152 -3.055 -3.218) 4.440 3.918 ( 2.153 -0.884 2.273) 3.254 3.999 ( 3.594 -2.554 3.300) 5.507 4.122 ( -3.122 4.314 1.179) 5.454 4.155 ( 3.546 4.756 2.121) 6.301 4.327 ( -1.481 0.372 1.074) 1.866 4.374 ( 3.786 -1.637 -0.830) 4.207 4.403 ( 2.649 0.456 -3.541) 4.446 4.447 ( 0.289 2.493 0.415) 2.543 4.503 ( 3.542 -0.156 2.073) 4.107 4.522 ( 1.875 0.305 -4.043) 4.467 4.611 ( 1.244 0.738 0.604) 1.567 4.654 ( 0.287 2.265 2.269) 3.219 4.715 ( -0.401 1.146 1.656) 2.053 4.785 ( 1.679 -2.767 0.768) 3.327 4.845 ( 2.698 -0.973 -0.279) 2.882 4.914 ( -2.985 0.565 2.288) 3.803 5.043 ( 0.440 0.521 0.092) 0.688 5.081 ( 3.074 -2.544 -1.458) 4.248 5.104 ( 1.181 3.356 0.671) 3.620 5.216 ( -0.370 0.334 -0.845) 0.981 5.236 ( 1.725 -2.487 0.469) 3.063 5.277 ( 1.324 -1.566 -0.696) 2.165 5.445 ( 1.686 8.675 0.076) 8.838 5.512 ( 2.468 1.813 -1.149) 3.270 5.585 ( 1.730 -1.549 -0.446) 2.364 5.712 ( 2.805 0.407 -0.626) 2.903 5.754 ( 0.415 1.683 1.054) 2.028 5.846 ( 2.454 -4.174 0.419) 4.860 6.002 ( -1.622 5.693 -0.291) 5.927 6.137 ( 0.443 -1.863 1.433) 2.392 6.348 ( 0.469 1.000 3.700) 3.861 6.467 ( 0.237 -4.888 1.904) 5.251 6.706 ( 1.819 6.362 1.383) 6.760 6.881 ( 1.147 -2.201 -0.647) 2.565 7.029 ( -1.822 0.905 -1.621) 2.601 7.070 ( 1.641 0.616 -0.228) 1.767 7.120 ( -2.288 1.016 3.849) 4.591 7.184 ( 0.249 -0.521 1.694) 1.789 7.240 ( 1.893 1.364 1.814) 2.956 7.295 ( 1.166 0.348 -2.047) 2.381 7.324 ( 2.286 0.088 -1.460) 2.714 7.359 ( 4.460 1.331 0.172) 4.657 7.431 ( 5.245 -0.248 -1.035) 5.352 7.450 ( 4.095 -1.318 -4.946) 6.555 7.568 ( 4.587 -1.266 -0.405) 4.775 7.706 ( 14.541 -13.075 -3.519) 19.869 7.786 ( 4.363 2.995 -0.278) 5.300 8.012 ( 0.878 -1.440 -0.572) 1.781 8.050 ( 2.756 -1.953 -6.942) 7.720 8.204 ( 2.884 -7.529 0.884) 8.110 8.448 ( 2.139 -0.768 3.827) 4.451 8.511 ( 0.605 -2.633 3.742) 4.616 8.575 ( -1.264 5.926 1.123) 6.162 8.620 ( -0.157 0.820 4.309) 4.389 8.653 ( 0.458 3.756 -4.776) 6.094 8.796 ( -0.897 -2.157 -1.249) 2.649 8.901 ( -2.427 1.404 -2.357) 3.663 9.016 ( -0.133 2.069 3.502) 4.070 9.038 ( 0.349 -1.593 -2.206) 2.744 9.192 ( 0.950 -5.040 1.466) 5.334 9.264 ( 2.220 0.340 -0.946) 2.437 9.271 ( 2.038 0.594 -0.731) 2.245 9.444 ( -1.100 2.197 0.698) 2.555 9.464 ( 1.766 1.628 2.063) 3.166 9.534 ( -2.019 -0.143 -0.038) 2.024 9.580 ( -1.690 -0.234 -2.151) 2.746 9.591 ( -1.922 0.357 -1.097) 2.241 9.643 ( 0.068 -0.946 1.631) 1.887 9.803 ( -3.937 0.794 -1.577) 4.314 9.974 ( -2.634 -10.104 2.045) 10.640 10.141 ( -2.411 0.229 0.865) 2.572 10.207 ( -0.513 -3.746 2.317) 4.434 10.390 ( 0.610 4.004 1.644) 4.371 10.457 ( -2.103 0.001 -2.365) 3.165 10.543 ( -1.849 9.627 2.081) 10.022 10.585 ( -5.837 5.719 -0.150) 8.173 10.683 ( 7.918 -1.989 -0.492) 8.179 10.766 ( 4.788 -2.414 6.401) 8.350 10.879 ( 0.257 5.168 3.060) 6.011 11.108 ( -7.521 -4.147 -0.693) 8.617 11.470 ( 2.882 3.608 0.017) 4.618 11.948 ( -7.886 -12.820 -1.093) 15.090 12.728 ( -9.921 6.401 -9.623) 15.232 12.829 ( -6.220 -0.179 2.587) 6.739 12.995 ( 0.054 1.269 0.040) 1.271 13.016 ( 0.613 0.182 0.829) 1.047 13.120 ( -6.468 6.140 -0.067) 8.919 13.200 ( -9.726 4.675 -0.421) 10.799 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 20.472 1.079 -2.184) 20.617 1.095 ( 22.133 8.672 3.108) 23.974 1.231 ( -5.480 -7.213 -0.497) 9.072 1.568 ( 7.101 -6.798 5.051) 11.052 1.653 ( 14.451 13.246 1.529) 19.663 1.707 ( -5.800 -4.156 1.113) 7.221 1.811 ( -9.819 -0.433 -1.669) 9.970 2.115 ( 3.125 8.934 2.495) 9.788 2.136 ( -1.934 3.154 -5.547) 6.667 2.190 ( -3.796 4.924 1.409) 6.375 2.270 ( -5.545 3.249 -3.170) 7.166 2.282 ( 1.394 6.132 1.915) 6.573 2.353 ( 1.013 -2.970 1.809) 3.622 2.436 ( -4.396 -0.354 3.225) 5.463 2.482 ( -4.517 3.636 -2.776) 6.429 2.531 ( 0.674 2.587 -0.441) 2.709 2.687 ( 1.993 -1.953 0.945) 2.946 2.703 ( -3.046 -2.143 5.352) 6.521 2.787 ( 1.940 -5.241 -1.976) 5.928 2.896 ( 5.026 -10.771 -2.576) 12.162 2.921 ( -9.409 -2.361 -4.035) 10.506 2.999 ( -2.145 2.058 -3.637) 4.697 3.020 ( -6.206 -2.915 0.469) 6.873 3.101 ( -2.990 -4.238 -1.186) 5.320 3.136 ( -0.180 -4.900 -0.955) 4.996 3.254 ( 0.670 -4.379 -0.050) 4.431 3.276 ( -0.639 4.048 -1.806) 4.478 3.463 ( -3.653 -1.012 2.325) 4.447 3.520 ( -1.594 1.813 0.230) 2.425 3.694 ( 2.311 -2.910 -5.541) 6.672 3.723 ( 0.574 -1.094 1.171) 1.703 3.747 ( -1.090 -3.168 -3.337) 4.729 3.878 ( -6.172 -0.990 1.804) 6.506 3.977 ( -2.560 -4.075 4.211) 6.395 4.144 ( 2.038 4.410 -0.173) 4.862 4.237 ( 3.345 1.256 1.756) 3.981 4.291 ( -1.005 2.238 -1.485) 2.868 4.438 ( 1.594 -0.448 -1.169) 2.027 4.453 ( 1.363 -2.132 2.426) 3.505 4.472 ( 4.140 -0.578 -2.652) 4.951 4.542 ( 1.021 1.813 0.300) 2.102 4.578 ( 2.780 2.218 -2.752) 4.497 4.661 ( 0.562 4.104 -0.195) 4.147 4.673 ( 2.326 -0.508 1.708) 2.930 4.705 ( 0.899 3.824 3.596) 5.326 4.798 ( 0.895 -2.333 2.005) 3.204 4.854 ( -1.800 0.691 1.627) 2.523 4.909 ( 3.261 -2.844 -1.680) 4.642 5.006 ( -1.357 3.208 -0.336) 3.499 5.126 ( 1.756 2.465 0.831) 3.138 5.187 ( 4.200 -1.818 -1.344) 4.770 5.228 ( 1.561 -1.897 0.241) 2.469 5.275 ( 1.948 -1.741 -0.822) 2.739 5.301 ( 0.968 -1.950 -1.842) 2.852 5.477 ( 2.076 7.597 -0.499) 7.891 5.579 ( 3.221 0.652 -1.629) 3.668 5.641 ( 4.752 -0.704 -0.651) 4.848 5.803 ( 5.782 -1.557 -0.203) 5.992 5.836 ( 6.820 1.169 2.102) 7.231 5.907 ( 3.658 -2.426 0.816) 4.465 6.009 ( 1.613 4.557 0.007) 4.834 6.156 ( 1.529 -1.977 2.699) 3.679 6.366 ( 1.150 -0.147 5.471) 5.593 6.469 ( -0.119 -5.336 3.406) 6.331 6.747 ( 1.956 6.203 0.802) 6.553 6.918 ( 2.015 -1.839 -1.554) 3.139 7.018 ( 1.121 -0.363 0.210) 1.197 7.077 ( 0.401 -1.468 4.542) 4.790 7.145 ( 3.511 3.059 -0.598) 4.695 7.195 ( 1.061 1.788 1.589) 2.617 7.293 ( 2.529 1.740 -0.963) 3.217 7.315 ( 2.381 -0.169 -1.558) 2.850 7.364 ( 1.761 -1.016 0.019) 2.034 7.439 ( 2.462 -2.734 -3.386) 5.000 7.508 ( 6.228 2.753 -2.109) 7.129 7.601 ( 8.700 -0.913 -2.136) 9.005 7.682 ( 6.831 1.240 -1.166) 7.040 7.875 ( 4.706 -7.346 -2.902) 9.194 7.903 ( 6.444 0.738 -0.717) 6.526 8.057 ( 3.318 -4.014 -5.263) 7.405 8.111 ( 4.057 1.234 -4.602) 6.258 8.299 ( 6.888 -8.630 2.590) 11.342 8.465 ( -0.528 0.662 3.401) 3.505 8.513 ( -0.428 -0.634 -0.177) 0.785 8.556 ( -0.806 4.906 2.211) 5.441 8.638 ( 1.833 -0.444 6.005) 6.294 8.656 ( 1.192 2.495 -2.276) 3.581 8.764 ( -2.211 -1.712 -2.289) 3.614 8.844 ( -3.196 2.703 -2.980) 5.138 9.012 ( -0.232 -0.655 1.922) 2.044 9.049 ( 0.546 2.882 0.338) 2.953 9.211 ( 1.174 -4.478 3.049) 5.543 9.304 ( 1.411 1.374 0.092) 1.971 9.324 ( 3.495 0.959 -0.890) 3.732 9.396 ( -4.162 1.581 0.134) 4.454 9.465 ( -3.254 1.781 -1.542) 4.017 9.508 ( 1.713 0.358 1.579) 2.357 9.546 ( -1.946 -1.332 1.138) 2.619 9.567 ( -0.586 -0.265 -1.444) 1.580 9.642 ( -0.039 -1.206 0.386) 1.267 9.712 ( -4.977 2.471 -2.107) 5.943 9.896 ( -5.230 -8.494 0.667) 9.998 10.066 ( -5.446 4.970 -0.595) 7.397 10.186 ( -1.631 -4.273 3.224) 5.595 10.389 ( -2.108 2.747 4.323) 5.539 10.433 ( -2.081 5.329 0.994) 5.807 10.466 ( -4.610 8.795 -2.313) 10.196 10.517 ( -0.613 2.054 -1.859) 2.837 10.815 ( 4.529 -2.459 -1.067) 5.263 10.844 ( -0.217 -2.705 -4.411) 5.179 10.866 ( -4.340 -4.207 3.443) 6.956 10.992 ( 2.570 -4.042 9.519) 10.656 11.465 ( -2.837 4.030 2.665) 5.603 11.753 ( -11.340 -8.386 -1.300) 14.164 12.508 ( -11.954 6.571 -8.435) 16.038 12.670 ( -8.540 -1.301 -0.857) 8.681 12.990 ( -0.455 1.738 0.286) 1.819 13.029 ( 0.342 -0.001 0.868) 0.933 13.045 ( -1.225 2.916 -0.576) 3.215 13.108 ( -2.215 0.200 0.447) 2.268 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -1.112 3.694 -3.833) 5.438 1.317 ( 17.555 -3.801 0.771) 17.978 1.393 ( -7.898 -1.119 0.160) 7.978 1.448 ( -3.020 -3.711 1.337) 4.968 1.589 ( 8.991 3.536 4.341) 10.592 1.876 ( 6.723 -1.747 3.924) 7.978 1.900 ( 4.033 -2.261 -3.654) 5.893 2.070 ( -1.164 -0.798 -0.760) 1.602 2.120 ( -2.303 2.774 2.742) 4.530 2.136 ( -0.248 2.261 -6.286) 6.685 2.202 ( 1.663 4.284 3.972) 6.074 2.340 ( -3.592 -0.034 2.474) 4.362 2.389 ( 0.518 6.741 -1.353) 6.895 2.430 ( 3.152 2.255 3.341) 5.117 2.455 ( 6.733 3.935 -2.054) 8.065 2.528 ( -11.251 -2.397 -2.483) 11.769 2.595 ( 1.094 4.555 1.366) 4.880 2.663 ( -6.593 4.155 -3.362) 8.488 2.705 ( -5.695 -0.139 1.290) 5.841 2.772 ( -6.819 1.697 -0.527) 7.046 2.841 ( -4.118 1.941 -0.939) 4.648 2.929 ( -3.433 5.201 -3.049) 6.938 3.048 ( 2.626 -9.339 -0.564) 9.718 3.068 ( -0.156 -7.178 1.593) 7.354 3.151 ( -0.145 -6.140 1.066) 6.233 3.214 ( -1.604 -6.095 -2.275) 6.700 3.322 ( 3.415 -0.211 0.744) 3.502 3.413 ( -1.659 -0.495 1.626) 2.375 3.541 ( 2.474 5.027 -0.657) 5.642 3.678 ( -1.455 -1.935 -0.311) 2.441 3.706 ( -5.324 1.423 0.650) 5.549 3.720 ( -1.318 -3.200 -3.422) 4.867 3.799 ( 1.115 -2.462 0.655) 2.780 3.993 ( 4.639 -6.639 2.405) 8.449 4.143 ( -1.778 0.353 -2.687) 3.241 4.203 ( -4.310 -3.882 -1.640) 6.028 4.325 ( 0.914 2.695 1.010) 3.019 4.434 ( -1.756 1.049 -0.391) 2.082 4.482 ( 0.360 2.308 2.323) 3.295 4.531 ( 3.201 0.302 -1.896) 3.733 4.548 ( -4.017 1.160 -0.692) 4.238 4.599 ( 3.190 -2.335 0.377) 3.971 4.662 ( 0.082 0.378 -0.073) 0.393 4.696 ( 1.008 -0.624 0.301) 1.223 4.780 ( 5.121 4.351 0.888) 6.778 4.800 ( -1.199 2.594 1.342) 3.157 4.886 ( 4.326 -1.750 0.908) 4.754 4.959 ( 1.469 -1.230 -0.372) 1.951 5.004 ( 1.308 4.555 -0.019) 4.739 5.163 ( 2.087 2.098 0.072) 2.960 5.242 ( 1.524 -1.925 -1.240) 2.750 5.264 ( 1.620 -3.536 1.647) 4.223 5.296 ( 0.668 -0.834 -0.030) 1.069 5.324 ( 1.668 -2.090 -2.263) 3.503 5.523 ( 2.271 6.916 -0.851) 7.329 5.629 ( 2.154 -1.078 -0.747) 2.522 5.739 ( 4.386 0.343 -1.643) 4.696 5.901 ( 3.734 -3.961 -0.022) 5.444 5.959 ( 5.024 0.970 1.715) 5.396 5.990 ( 4.744 0.210 1.358) 4.939 6.048 ( 2.291 4.364 0.150) 4.931 6.190 ( 1.655 -1.584 2.562) 3.437 6.389 ( 1.030 -1.079 5.602) 5.797 6.469 ( 0.152 -5.557 2.159) 5.964 6.774 ( 0.928 6.888 1.161) 7.047 6.946 ( 0.885 -1.200 -2.129) 2.599 7.060 ( 2.742 -0.753 1.088) 3.044 7.117 ( 3.041 -2.130 5.384) 6.540 7.198 ( 1.834 3.361 -1.965) 4.303 7.242 ( 3.411 1.087 0.642) 3.637 7.315 ( 1.283 1.617 -1.763) 2.715 7.379 ( 1.237 -1.332 0.198) 1.829 7.406 ( 3.485 -0.678 -1.865) 4.011 7.487 ( 3.205 -4.055 -2.081) 5.572 7.638 ( 6.823 2.509 -1.686) 7.463 7.756 ( 6.884 -2.359 -0.718) 7.313 7.808 ( 5.697 3.232 -0.955) 6.619 7.932 ( 2.230 -2.266 -1.641) 3.578 8.009 ( 4.468 0.099 -0.931) 4.565 8.096 ( 0.766 -4.043 -7.927) 8.931 8.192 ( 2.397 1.591 -1.640) 3.312 8.398 ( 0.342 -5.531 0.463) 5.561 8.461 ( 2.061 0.175 3.041) 3.678 8.517 ( 1.470 -0.632 0.518) 1.682 8.533 ( -1.666 2.856 0.015) 3.307 8.679 ( 1.660 -2.142 0.998) 2.887 8.734 ( 4.154 1.918 -0.574) 4.612 8.772 ( 5.680 0.762 2.375) 6.203 8.793 ( 0.890 3.192 -0.511) 3.353 8.990 ( -2.623 -5.546 -2.882) 6.778 9.067 ( 1.883 7.001 5.932) 9.367 9.241 ( 1.553 -2.073 3.535) 4.383 9.278 ( -4.772 2.094 2.303) 5.697 9.308 ( -4.375 3.724 -2.325) 6.198 9.396 ( 0.133 0.604 -0.666) 0.909 9.404 ( 1.195 -0.625 0.181) 1.360 9.502 ( -2.037 -1.219 1.003) 2.578 9.545 ( -1.989 -1.114 0.017) 2.280 9.569 ( 3.230 1.830 1.221) 3.908 9.620 ( -3.194 1.760 -3.651) 5.160 9.645 ( -1.147 0.580 -2.123) 2.482 9.798 ( -3.954 -4.470 -1.177) 6.082 9.939 ( -7.068 6.764 -0.400) 9.791 10.152 ( -1.829 -4.495 2.385) 5.407 10.279 ( -10.389 13.709 1.269) 17.248 10.310 ( -5.175 0.189 2.418) 5.715 10.458 ( -1.224 1.166 -2.477) 2.999 10.546 ( 2.343 -3.130 -5.261) 6.555 10.644 ( -7.408 -2.244 2.835) 8.243 10.882 ( 2.950 -2.646 -0.415) 3.985 10.918 ( 0.331 -7.237 2.265) 7.590 11.086 ( 4.584 -11.060 4.203) 12.689 11.397 ( -3.470 6.044 3.500) 7.799 11.553 ( -8.585 -2.136 0.304) 8.852 12.284 ( -10.184 7.805 -4.664) 13.652 12.542 ( -4.726 -4.202 -3.392) 7.176 12.982 ( -0.322 1.834 0.031) 1.862 13.020 ( -0.598 0.462 -0.589) 0.958 13.052 ( 0.786 0.749 1.002) 1.478 13.085 ( -0.567 -0.220 0.275) 0.668 ======================= Grid point 13 (10/84) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.586 2.335 -4.221) 4.859 1.223 ( -7.623 -0.472 0.935) 7.694 1.317 ( -1.168 5.799 2.350) 6.365 1.647 ( 11.237 -3.798 -0.304) 11.866 1.798 ( -2.061 -4.905 0.517) 5.346 1.897 ( 11.317 0.957 8.738) 14.330 1.997 ( 0.998 -3.648 -4.467) 5.853 2.080 ( -3.111 -4.450 -2.146) 5.838 2.100 ( -3.321 0.877 -6.401) 7.264 2.126 ( -0.780 -0.754 -2.182) 2.437 2.219 ( 6.643 2.126 6.573) 9.584 2.305 ( -0.550 -1.553 2.611) 3.087 2.373 ( 0.397 4.816 -1.291) 5.002 2.404 ( -3.494 1.081 -2.064) 4.199 2.439 ( -4.113 0.654 -1.031) 4.290 2.515 ( -2.759 1.070 1.083) 3.151 2.542 ( -4.809 0.921 1.086) 5.015 2.569 ( -0.572 0.300 1.148) 1.317 2.645 ( 3.971 5.816 -0.200) 7.045 2.681 ( -2.085 4.229 1.265) 4.882 2.798 ( -6.996 7.155 -2.054) 10.215 2.880 ( 2.700 7.844 -2.477) 8.657 3.052 ( -0.983 -4.191 -1.643) 4.608 3.064 ( -0.352 -4.247 3.628) 5.597 3.159 ( 0.939 -5.346 0.324) 5.437 3.211 ( 0.431 -3.313 -1.110) 3.520 3.357 ( -0.531 0.975 2.016) 2.301 3.426 ( 2.453 2.662 0.028) 3.621 3.564 ( 0.635 0.661 0.152) 0.929 3.592 ( -3.584 -0.837 0.998) 3.814 3.647 ( -2.446 -2.872 -1.135) 3.939 3.762 ( 3.669 2.532 -3.400) 5.606 3.867 ( 4.713 -7.418 0.962) 8.841 4.059 ( -3.504 -0.874 0.370) 3.631 4.106 ( 1.427 -1.380 -1.377) 2.416 4.159 ( 0.842 -8.072 -0.003) 8.116 4.274 ( -3.031 -2.888 0.274) 4.196 4.391 ( -4.255 -3.230 0.667) 5.384 4.436 ( -1.265 5.013 -1.017) 5.269 4.519 ( 0.157 1.719 0.752) 1.883 4.595 ( 2.698 -0.627 -0.822) 2.890 4.638 ( 0.065 -3.293 0.994) 3.440 4.678 ( 1.731 2.346 -1.065) 3.104 4.707 ( -0.293 0.979 0.951) 1.396 4.779 ( -0.542 5.070 0.719) 5.150 4.842 ( 1.203 3.546 -0.132) 3.747 4.963 ( 2.441 -2.755 -1.816) 4.104 4.972 ( 0.520 0.123 2.108) 2.175 5.037 ( 1.184 4.025 -0.033) 4.195 5.202 ( 1.780 1.126 -0.323) 2.131 5.243 ( -1.061 -0.765 0.010) 1.308 5.277 ( 0.413 -3.111 0.345) 3.157 5.327 ( 1.488 -2.133 0.781) 2.716 5.346 ( 0.448 -1.805 -1.316) 2.278 5.553 ( 0.782 5.698 -0.478) 5.771 5.658 ( 0.800 -1.325 -0.254) 1.568 5.793 ( 1.303 0.343 -0.844) 1.590 5.944 ( 0.973 -4.200 0.146) 4.314 6.029 ( 1.986 2.114 0.667) 2.976 6.050 ( 1.310 2.169 0.137) 2.538 6.092 ( 1.693 2.460 0.429) 3.017 6.213 ( 0.582 -1.108 1.040) 1.627 6.407 ( 0.563 -1.573 2.555) 3.053 6.473 ( 0.112 -5.865 0.552) 5.892 6.787 ( 0.408 7.343 0.688) 7.386 6.953 ( 0.058 -0.515 -1.096) 1.213 7.107 ( 1.676 0.033 0.887) 1.896 7.157 ( 0.536 -0.790 1.273) 1.591 7.240 ( 2.742 -0.457 2.641) 3.835 7.278 ( -0.358 -1.068 -3.402) 3.583 7.352 ( 2.129 1.871 0.117) 2.836 7.387 ( -0.169 -0.196 0.190) 0.321 7.452 ( 1.229 -0.047 -1.618) 2.033 7.545 ( 1.871 -4.688 -0.077) 5.048 7.761 ( 5.728 -0.220 -1.387) 5.898 7.827 ( -0.244 -3.184 0.655) 3.260 7.886 ( 2.276 4.226 -0.980) 4.899 7.983 ( 2.849 1.641 1.213) 3.504 8.075 ( 1.977 2.995 0.667) 3.650 8.087 ( -0.951 -1.792 -5.301) 5.676 8.177 ( -2.298 -1.877 -0.859) 3.089 8.376 ( -1.029 -3.428 0.063) 3.580 8.495 ( 0.207 -3.185 0.954) 3.331 8.507 ( -0.073 6.044 -0.967) 6.121 8.545 ( 0.440 -0.882 -0.016) 0.986 8.734 ( 4.081 -4.397 0.765) 6.047 8.765 ( -0.147 0.423 -0.858) 0.968 8.824 ( 4.284 1.054 0.810) 4.485 8.919 ( -4.473 -2.192 -1.434) 5.183 9.012 ( 10.781 0.016 2.862) 11.154 9.115 ( 1.982 2.193 3.369) 4.482 9.196 ( -0.970 3.665 -1.133) 3.957 9.224 ( -3.286 6.943 -0.919) 7.736 9.260 ( -0.376 0.416 4.211) 4.248 9.358 ( -1.217 -0.751 1.973) 2.437 9.416 ( -6.060 1.351 -1.144) 6.314 9.474 ( 2.359 -0.878 -1.093) 2.744 9.510 ( -2.341 -2.225 0.897) 3.352 9.557 ( -1.509 2.490 -4.329) 5.217 9.599 ( -0.210 2.067 -1.216) 2.407 9.630 ( -0.838 1.755 -0.293) 1.966 9.763 ( -0.307 -0.935 -0.832) 1.289 9.880 ( 3.578 5.520 0.587) 6.604 10.054 ( -11.626 5.962 1.475) 13.149 10.128 ( -1.069 -2.272 -0.035) 2.511 10.230 ( -2.413 -0.987 0.341) 2.629 10.382 ( -3.294 4.296 -0.380) 5.427 10.565 ( 0.649 1.298 -2.444) 2.843 10.665 ( 4.590 -7.755 0.547) 9.028 10.858 ( -4.932 -11.382 3.673) 12.937 10.921 ( 0.949 -4.881 -0.495) 4.997 11.163 ( 3.061 -12.142 -1.273) 12.586 11.349 ( -1.651 6.701 1.357) 7.033 11.437 ( -3.281 1.912 2.015) 4.299 12.147 ( -3.578 10.514 -1.695) 11.234 12.482 ( -1.520 -5.558 -1.645) 5.992 12.978 ( -0.091 1.888 -0.045) 1.890 13.012 ( -0.205 0.058 -0.237) 0.319 13.064 ( 0.350 0.566 0.458) 0.808 13.079 ( -0.131 -0.083 0.069) 0.170 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 -22.305 0.000) 22.305 0.884 ( 0.000 22.305 0.000) 22.305 0.987 ( 0.000 -24.456 0.000) 24.456 0.987 ( 0.000 24.456 0.000) 24.456 1.719 ( 0.000 -38.524 0.000) 38.524 1.719 ( 0.000 38.524 0.000) 38.524 2.073 ( 0.000 -0.197 0.000) 0.197 2.073 ( 0.000 0.197 0.000) 0.197 2.264 ( 0.000 -10.447 0.000) 10.447 2.264 ( 0.000 10.447 0.000) 10.447 2.320 ( 0.000 -8.551 0.000) 8.551 2.320 ( 0.000 8.551 0.000) 8.551 2.404 ( 0.000 -10.723 0.000) 10.723 2.404 ( 0.000 10.723 0.000) 10.723 2.507 ( 0.000 -10.795 0.000) 10.795 2.507 ( 0.000 10.795 0.000) 10.795 2.671 ( 0.000 -1.228 0.000) 1.228 2.671 ( 0.000 1.228 0.000) 1.228 2.809 ( 0.000 -3.700 0.000) 3.700 2.809 ( 0.000 3.700 0.000) 3.700 2.929 ( 0.000 -3.399 0.000) 3.399 2.929 ( 0.000 3.399 0.000) 3.399 3.072 ( 0.000 -4.426 0.000) 4.426 3.072 ( 0.000 4.426 0.000) 4.426 3.305 ( 0.000 -1.508 0.000) 1.508 3.305 ( 0.000 1.508 0.000) 1.508 3.422 ( 0.000 -7.219 0.000) 7.219 3.422 ( 0.000 7.219 0.000) 7.219 3.636 ( 0.000 -1.997 0.000) 1.997 3.636 ( 0.000 1.997 0.000) 1.997 3.731 ( 0.000 -1.097 0.000) 1.097 3.731 ( 0.000 1.097 0.000) 1.097 3.896 ( 0.000 -1.227 0.000) 1.227 3.896 ( 0.000 1.227 0.000) 1.227 4.215 ( 0.000 -1.463 0.000) 1.463 4.215 ( 0.000 1.463 0.000) 1.463 4.316 ( 0.000 -0.382 0.000) 0.382 4.316 ( 0.000 0.382 0.000) 0.382 4.405 ( 0.000 -1.821 0.000) 1.821 4.405 ( 0.000 1.821 0.000) 1.821 4.496 ( 0.000 -1.557 0.000) 1.557 4.496 ( 0.000 1.557 0.000) 1.557 4.623 ( 0.000 -2.437 0.000) 2.437 4.623 ( 0.000 2.437 0.000) 2.437 4.705 ( 0.000 -1.353 0.000) 1.353 4.705 ( 0.000 1.353 0.000) 1.353 4.876 ( 0.000 -3.327 0.000) 3.327 4.876 ( 0.000 3.327 0.000) 3.327 5.058 ( 0.000 -2.240 0.000) 2.240 5.058 ( 0.000 2.240 0.000) 2.240 5.160 ( 0.000 -3.498 0.000) 3.498 5.160 ( 0.000 3.498 0.000) 3.498 5.248 ( 0.000 -0.905 0.000) 0.905 5.248 ( 0.000 0.905 0.000) 0.905 5.526 ( 0.000 -1.729 0.000) 1.729 5.526 ( 0.000 1.729 0.000) 1.729 5.617 ( 0.000 -9.753 0.000) 9.753 5.617 ( 0.000 9.753 0.000) 9.753 5.760 ( 0.000 -3.729 0.000) 3.729 5.760 ( 0.000 3.729 0.000) 3.729 6.099 ( 0.000 -1.857 0.000) 1.857 6.099 ( 0.000 1.857 0.000) 1.857 6.395 ( 0.000 -2.851 0.000) 2.851 6.395 ( 0.000 2.851 0.000) 2.851 6.808 ( 0.000 -5.688 0.000) 5.688 6.808 ( 0.000 5.688 0.000) 5.688 7.058 ( 0.000 -0.106 0.000) 0.106 7.058 ( 0.000 0.106 0.000) 0.106 7.161 ( 0.000 -1.934 0.000) 1.934 7.161 ( 0.000 1.934 0.000) 1.934 7.267 ( 0.000 -2.820 0.000) 2.820 7.267 ( 0.000 2.820 0.000) 2.820 7.316 ( 0.000 -1.908 0.000) 1.908 7.316 ( 0.000 1.908 0.000) 1.908 7.336 ( 0.000 -0.199 0.000) 0.199 7.336 ( 0.000 0.199 0.000) 0.199 7.499 ( 0.000 -1.961 0.000) 1.961 7.499 ( 0.000 1.961 0.000) 1.961 7.866 ( 0.000 -8.026 0.000) 8.026 7.866 ( 0.000 8.026 0.000) 8.026 8.074 ( 0.000 -3.989 0.000) 3.989 8.074 ( 0.000 3.989 0.000) 3.989 8.448 ( 0.000 -2.486 0.000) 2.486 8.448 ( 0.000 2.486 0.000) 2.486 8.648 ( 0.000 -0.666 0.000) 0.666 8.648 ( 0.000 0.666 0.000) 0.666 8.737 ( 0.000 -4.618 0.000) 4.618 8.737 ( 0.000 4.618 0.000) 4.618 8.959 ( 0.000 -3.116 0.000) 3.116 8.959 ( 0.000 3.116 0.000) 3.116 9.087 ( 0.000 -4.653 0.000) 4.653 9.087 ( 0.000 4.653 0.000) 4.653 9.249 ( 0.000 -0.270 0.000) 0.270 9.249 ( 0.000 0.270 0.000) 0.270 9.483 ( 0.000 -1.319 0.000) 1.319 9.483 ( 0.000 1.319 0.000) 1.319 9.577 ( 0.000 -2.523 0.000) 2.523 9.577 ( 0.000 2.523 0.000) 2.523 9.626 ( 0.000 -0.755 0.000) 0.755 9.626 ( 0.000 0.755 0.000) 0.755 9.865 ( 0.000 -3.123 0.000) 3.123 9.865 ( 0.000 3.123 0.000) 3.123 10.150 ( 0.000 -1.804 0.000) 1.804 10.150 ( 0.000 1.804 0.000) 1.804 10.453 ( 0.000 -3.576 0.000) 3.576 10.453 ( 0.000 3.576 0.000) 3.576 10.614 ( 0.000 -3.030 0.000) 3.030 10.614 ( 0.000 3.030 0.000) 3.030 10.676 ( 0.000 -2.253 0.000) 2.253 10.676 ( 0.000 2.253 0.000) 2.253 11.053 ( 0.000 -8.630 0.000) 8.630 11.053 ( 0.000 8.630 0.000) 8.630 11.704 ( 0.000 -17.697 0.000) 17.697 11.704 ( 0.000 17.697 0.000) 17.697 12.861 ( 0.000 -1.345 0.000) 1.345 12.861 ( 0.000 1.345 0.000) 1.345 13.009 ( 0.000 -0.405 0.000) 0.405 13.009 ( 0.000 0.405 0.000) 0.405 13.327 ( 0.000 -7.201 0.000) 7.201 13.327 ( 0.000 7.201 0.000) 7.201 ======================= Grid point 20 (12/84) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 1.810 -20.606 -2.623) 20.851 0.958 ( 1.810 20.606 -2.623) 20.851 1.027 ( 11.068 -19.668 3.263) 22.804 1.027 ( 11.068 19.668 3.263) 22.804 1.849 ( 7.514 -25.852 2.696) 27.057 1.849 ( 7.514 25.852 2.696) 27.057 1.986 ( -5.392 -3.129 0.307) 6.242 1.986 ( -5.392 3.129 0.307) 6.242 2.248 ( -0.741 -7.374 0.782) 7.453 2.248 ( -0.741 7.374 0.782) 7.453 2.337 ( 1.729 -9.549 -0.881) 9.744 2.337 ( 1.729 9.549 -0.881) 9.744 2.442 ( 1.647 -9.782 -2.621) 10.260 2.442 ( 1.647 9.782 -2.621) 10.260 2.500 ( -1.922 -8.336 1.515) 8.688 2.500 ( -1.922 8.336 1.515) 8.688 2.602 ( -1.078 -5.537 -2.931) 6.357 2.602 ( -1.078 5.537 -2.931) 6.357 2.740 ( -6.363 -4.049 2.690) 8.007 2.740 ( -6.363 4.049 2.690) 8.007 3.016 ( 4.652 -2.298 0.320) 5.198 3.016 ( 4.652 2.298 0.320) 5.198 3.061 ( -1.009 -5.278 -0.626) 5.410 3.061 ( -1.009 5.278 -0.626) 5.410 3.233 ( -5.340 -2.340 -0.528) 5.853 3.233 ( -5.340 2.340 -0.528) 5.853 3.439 ( -1.570 -6.670 -0.153) 6.855 3.439 ( -1.570 6.670 -0.153) 6.855 3.574 ( -2.038 -1.447 -5.852) 6.363 3.574 ( -2.038 1.447 -5.852) 6.363 3.735 ( -0.451 -0.557 -0.028) 0.717 3.735 ( -0.451 0.557 -0.028) 0.717 3.945 ( 2.307 -2.550 2.694) 4.369 3.945 ( 2.307 2.550 2.694) 4.369 4.191 ( -0.719 -1.847 1.549) 2.515 4.191 ( -0.719 1.847 1.549) 2.515 4.342 ( 2.714 -1.793 1.795) 3.715 4.342 ( 2.714 1.793 1.795) 3.715 4.424 ( -0.518 -1.923 -2.280) 3.027 4.424 ( -0.518 1.923 -2.280) 3.027 4.523 ( 3.573 -0.757 -0.530) 3.690 4.523 ( 3.573 0.757 -0.530) 3.690 4.646 ( 2.964 -2.810 0.642) 4.134 4.646 ( 2.964 2.810 0.642) 4.134 4.729 ( 1.278 -1.957 0.762) 2.458 4.729 ( 1.278 1.957 0.762) 2.458 4.900 ( 0.231 -2.887 1.229) 3.147 4.900 ( 0.231 2.887 1.229) 3.147 5.050 ( 0.629 -0.569 -1.287) 1.542 5.050 ( 0.629 0.569 -1.287) 1.542 5.171 ( 0.896 -3.386 0.546) 3.545 5.171 ( 0.896 3.386 0.546) 3.545 5.242 ( 0.125 -1.833 -0.719) 1.973 5.242 ( 0.125 1.833 -0.719) 1.973 5.543 ( 1.200 -2.264 -0.741) 2.668 5.543 ( 1.200 2.264 -0.741) 2.668 5.635 ( 2.503 -8.056 -0.423) 8.446 5.635 ( 2.503 8.056 -0.423) 8.446 5.782 ( 2.705 -2.317 0.451) 3.591 5.782 ( 2.705 2.317 0.451) 3.591 6.088 ( -0.474 -3.331 0.630) 3.423 6.088 ( -0.474 3.331 0.630) 3.423 6.389 ( -0.345 -3.184 2.964) 4.364 6.389 ( -0.345 3.184 2.964) 4.364 6.814 ( 1.266 -4.629 0.460) 4.821 6.814 ( 1.266 4.629 0.460) 4.821 7.059 ( -1.125 -1.651 -1.005) 2.236 7.059 ( -1.125 1.651 -1.005) 2.236 7.150 ( 0.718 -2.120 1.753) 2.843 7.150 ( 0.718 2.120 1.753) 2.843 7.290 ( 2.711 -2.223 1.384) 3.769 7.290 ( 2.711 2.223 1.384) 3.769 7.338 ( 1.352 -2.795 -3.674) 4.810 7.338 ( 1.352 2.795 -3.674) 4.810 7.428 ( 6.587 -0.704 -1.762) 6.854 7.428 ( 6.587 0.704 -1.762) 6.854 7.576 ( 7.865 -2.554 -0.706) 8.300 7.576 ( 7.865 2.554 -0.706) 8.300 7.888 ( 2.474 -7.204 -0.481) 7.633 7.888 ( 2.474 7.204 -0.481) 7.633 8.098 ( 2.504 -4.127 -2.891) 5.626 8.098 ( 2.504 4.127 -2.891) 5.626 8.465 ( 1.445 -1.914 4.382) 4.995 8.465 ( 1.445 1.914 4.382) 4.995 8.632 ( -1.119 -0.459 -0.134) 1.217 8.632 ( -1.119 0.459 -0.134) 1.217 8.738 ( -0.470 -3.976 -0.571) 4.044 8.738 ( -0.470 3.976 -0.571) 4.044 8.953 ( -0.712 -3.962 -1.300) 4.231 8.953 ( -0.712 3.962 -1.300) 4.231 9.098 ( 1.154 -4.467 1.844) 4.968 9.098 ( 1.154 4.467 1.844) 4.968 9.273 ( 2.357 -0.367 -0.727) 2.494 9.273 ( 2.357 0.367 -0.727) 2.494 9.482 ( -0.418 -1.310 -1.084) 1.751 9.482 ( -0.418 1.310 -1.084) 1.751 9.555 ( -1.951 -2.483 -1.287) 3.410 9.555 ( -1.951 2.483 -1.287) 3.410 9.611 ( -1.221 -1.796 2.049) 2.986 9.611 ( -1.221 1.796 2.049) 2.986 9.843 ( -2.301 -3.698 0.106) 4.357 9.843 ( -2.301 3.698 0.106) 4.357 10.144 ( -0.820 -1.918 1.704) 2.694 10.144 ( -0.820 1.918 1.704) 2.694 10.442 ( -0.796 -1.596 -2.063) 2.727 10.442 ( -0.796 1.596 -2.063) 2.727 10.657 ( 2.771 -1.844 -3.881) 5.113 10.657 ( 2.771 1.844 -3.881) 5.113 10.691 ( 1.711 -5.544 7.914) 9.813 10.691 ( 1.711 5.544 7.914) 9.813 10.998 ( -5.365 -6.735 0.016) 8.611 10.998 ( -5.365 6.735 0.016) 8.611 11.668 ( -3.518 -14.469 -0.092) 14.891 11.668 ( -3.518 14.469 -0.092) 14.891 12.802 ( -6.624 -2.336 -1.774) 7.244 12.802 ( -6.624 2.336 -1.774) 7.244 13.014 ( 0.422 -0.562 0.283) 0.758 13.014 ( 0.422 0.562 0.283) 0.758 13.211 ( -8.751 -3.107 -0.231) 9.289 13.211 ( -8.751 3.107 -0.231) 9.289 ======================= Grid point 22 (13/84) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 7.982 -10.017 -2.889) 13.130 1.044 ( 7.982 10.017 -2.889) 13.130 1.316 ( 16.259 -13.435 4.377) 21.541 1.316 ( 16.259 13.435 4.377) 21.541 1.706 ( -12.875 -2.634 3.020) 13.484 1.706 ( -12.875 2.634 3.020) 13.484 2.038 ( 0.897 -11.307 -4.433) 12.178 2.038 ( 0.897 11.307 -4.433) 12.178 2.248 ( -2.618 -2.044 4.249) 5.393 2.248 ( -2.618 2.044 4.249) 5.393 2.350 ( -4.664 -4.236 -0.677) 6.337 2.350 ( -4.664 4.236 -0.677) 6.337 2.441 ( 7.823 -13.074 3.704) 15.680 2.441 ( 7.823 13.074 3.704) 15.680 2.528 ( 4.243 -9.839 -3.691) 11.333 2.528 ( 4.243 9.839 -3.691) 11.333 2.610 ( -1.599 -6.250 -3.058) 7.140 2.610 ( -1.599 6.250 -3.058) 7.140 2.697 ( 3.541 -6.654 1.747) 7.737 2.697 ( 3.541 6.654 1.747) 7.737 2.948 ( -6.941 -3.250 -1.206) 7.759 2.948 ( -6.941 3.250 -1.206) 7.759 3.064 ( -3.066 -2.694 -1.102) 4.227 3.064 ( -3.066 2.694 -1.102) 4.227 3.143 ( -4.054 -5.880 -0.091) 7.143 3.143 ( -4.054 5.880 -0.091) 7.143 3.376 ( -1.986 -5.492 0.162) 5.842 3.376 ( -1.986 5.492 0.162) 5.842 3.603 ( 3.011 -4.999 -3.901) 7.020 3.603 ( 3.011 4.999 -3.901) 7.020 3.712 ( -1.606 -1.273 -0.520) 2.114 3.712 ( -1.606 1.273 -0.520) 2.114 3.910 ( -4.957 -3.044 3.115) 6.598 3.910 ( -4.957 3.044 3.115) 6.598 4.208 ( 0.232 -2.668 -0.449) 2.716 4.208 ( 0.232 2.668 -0.449) 2.716 4.384 ( 1.212 -4.886 1.427) 5.232 4.384 ( 1.212 4.886 1.427) 5.232 4.446 ( 4.318 -1.049 0.236) 4.450 4.446 ( 4.318 1.049 0.236) 4.450 4.582 ( 1.591 -1.727 -1.652) 2.872 4.582 ( 1.591 1.727 -1.652) 2.872 4.686 ( -1.409 -2.613 -1.242) 3.218 4.686 ( -1.409 2.613 -1.242) 3.218 4.762 ( 3.607 -2.179 4.010) 5.817 4.762 ( 3.607 2.179 4.010) 5.817 4.868 ( -0.590 -1.243 -1.348) 1.926 4.868 ( -0.590 1.243 -1.348) 1.926 5.100 ( 2.793 -4.943 -0.311) 5.686 5.100 ( 2.793 4.943 -0.311) 5.686 5.193 ( 1.469 -1.751 0.032) 2.286 5.193 ( 1.469 1.751 0.032) 2.286 5.261 ( 1.465 -1.385 -0.729) 2.144 5.261 ( 1.465 1.385 -0.729) 2.144 5.569 ( 1.830 -2.487 -1.058) 3.264 5.569 ( 1.830 2.487 -1.058) 3.264 5.712 ( 4.827 -6.765 -0.760) 8.346 5.712 ( 4.827 6.765 -0.760) 8.346 5.867 ( 5.825 -1.725 1.115) 6.177 5.867 ( 5.825 1.725 1.115) 6.177 6.098 ( 1.539 -4.089 1.454) 4.604 6.098 ( 1.539 4.089 1.454) 4.605 6.387 ( 0.048 -2.679 4.486) 5.226 6.387 ( 0.048 2.679 4.486) 5.226 6.854 ( 2.379 -4.581 -0.225) 5.167 6.854 ( 2.379 4.581 -0.225) 5.167 7.039 ( 0.096 -2.083 1.728) 2.708 7.039 ( 0.096 2.083 1.728) 2.708 7.196 ( 3.286 -1.838 1.460) 4.038 7.196 ( 3.286 1.838 1.460) 4.038 7.330 ( 1.314 -1.086 -1.499) 2.269 7.330 ( 1.314 1.086 -1.499) 2.269 7.365 ( 1.743 -4.104 -2.386) 5.057 7.365 ( 1.743 4.104 -2.386) 5.057 7.566 ( 7.623 -2.753 -1.729) 8.287 7.566 ( 7.623 2.753 -1.729) 8.287 7.739 ( 8.014 -5.219 -1.521) 9.683 7.739 ( 8.014 5.219 -1.521) 9.683 7.958 ( 4.190 -4.792 -3.320) 7.179 7.958 ( 4.190 4.792 -3.320) 7.179 8.173 ( 5.451 -4.694 -1.338) 7.317 8.173 ( 5.451 4.694 -1.338) 7.317 8.488 ( 0.412 -1.442 3.008) 3.361 8.488 ( 0.412 1.442 3.008) 3.361 8.625 ( 0.530 -1.567 2.830) 3.278 8.625 ( 0.530 1.567 2.830) 3.278 8.715 ( -1.054 -3.151 -1.658) 3.713 8.715 ( -1.054 3.151 -1.658) 3.713 8.928 ( -1.970 -5.409 -2.670) 6.346 8.928 ( -1.970 5.409 -2.670) 6.346 9.129 ( 1.888 -4.035 4.130) 6.075 9.129 ( 1.888 4.035 4.130) 6.075 9.329 ( 3.108 -0.744 -1.216) 3.419 9.329 ( 3.108 0.744 -1.216) 3.419 9.446 ( -3.594 -2.989 -1.008) 4.782 9.446 ( -3.594 2.989 -1.008) 4.782 9.521 ( -1.230 -1.904 -0.916) 2.445 9.521 ( -1.230 1.904 -0.916) 2.445 9.600 ( 0.394 -2.961 1.925) 3.554 9.600 ( 0.394 2.961 1.925) 3.554 9.781 ( -3.862 -4.306 -1.190) 5.905 9.781 ( -3.862 4.306 -1.190) 5.905 10.114 ( -2.292 -2.212 1.933) 3.726 10.114 ( -2.292 2.212 1.933) 3.726 10.428 ( -0.893 -1.457 -0.659) 1.832 10.428 ( -0.893 1.457 -0.659) 1.832 10.615 ( -6.079 -4.809 0.112) 7.752 10.615 ( -6.079 4.809 0.112) 7.752 10.782 ( 5.253 -4.750 1.661) 7.274 10.782 ( 5.253 4.750 1.661) 7.274 10.873 ( -6.575 -5.275 1.599) 8.580 10.873 ( -6.575 5.275 1.599) 8.580 11.585 ( -4.746 -8.059 1.074) 9.414 11.585 ( -4.746 8.059 1.074) 9.414 12.617 ( -11.021 -4.306 -3.518) 12.344 12.617 ( -11.021 4.306 -3.518) 12.344 13.019 ( -0.017 -1.057 0.490) 1.166 13.019 ( -0.017 1.057 0.490) 1.166 13.096 ( -2.940 -1.735 -0.090) 3.415 13.096 ( -2.940 1.735 -0.090) 3.415 ======================= Grid point 24 (14/84) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 10.423 -4.714 -4.008) 12.121 1.237 ( 10.423 4.714 -4.008) 12.121 1.387 ( -9.430 -1.720 4.051) 10.406 1.387 ( -9.430 1.720 4.051) 10.406 1.713 ( 15.225 -8.754 3.234) 17.858 1.713 ( 15.225 8.754 3.234) 17.858 1.983 ( -5.688 -5.187 -1.606) 7.864 1.983 ( -5.688 5.187 -1.606) 7.864 2.170 ( -2.821 -1.275 -4.202) 5.220 2.170 ( -2.821 1.275 -4.202) 5.220 2.282 ( -2.305 -3.762 6.632) 7.965 2.282 ( -2.305 3.762 6.632) 7.965 2.451 ( -6.216 -3.662 -4.025) 8.262 2.451 ( -6.216 3.662 -4.025) 8.262 2.600 ( 2.463 -6.126 -2.195) 6.958 2.600 ( 2.463 6.126 -2.195) 6.958 2.645 ( -3.669 -6.031 5.776) 9.121 2.645 ( -3.669 6.031 5.776) 9.121 2.760 ( 4.509 -7.859 -2.393) 9.371 2.760 ( 4.509 7.859 -2.393) 9.371 2.857 ( -1.207 -7.212 -0.755) 7.351 2.857 ( -1.207 7.212 -0.755) 7.351 3.009 ( 0.876 -7.507 -0.076) 7.558 3.009 ( 0.876 7.507 -0.076) 7.558 3.081 ( -1.981 -6.697 -1.630) 7.172 3.081 ( -1.981 6.697 -1.630) 7.172 3.366 ( 0.279 -3.520 -0.125) 3.533 3.366 ( 0.279 3.520 -0.125) 3.533 3.644 ( 1.207 -4.032 0.303) 4.220 3.644 ( 1.207 4.032 0.303) 4.220 3.681 ( -2.336 -1.484 -1.022) 2.950 3.681 ( -2.336 1.484 -1.022) 2.950 3.846 ( 0.467 -7.180 2.947) 7.775 3.846 ( 0.467 7.180 2.947) 7.775 4.152 ( -4.702 -1.009 -3.300) 5.833 4.152 ( -4.702 1.009 -3.300) 5.833 4.414 ( -0.819 -4.504 2.055) 5.017 4.414 ( -0.819 4.504 2.055) 5.017 4.508 ( 0.158 -2.170 -1.625) 2.715 4.508 ( 0.158 2.170 -1.625) 2.715 4.568 ( 0.219 -1.812 0.119) 1.829 4.568 ( 0.219 1.812 0.119) 1.829 4.679 ( 1.657 -1.025 -0.363) 1.982 4.679 ( 1.657 1.025 -0.363) 1.982 4.833 ( 3.056 -0.738 1.795) 3.620 4.833 ( 3.056 0.738 1.795) 3.620 4.895 ( 2.180 -3.680 -1.035) 4.401 4.895 ( 2.180 3.680 -1.035) 4.401 5.137 ( 1.534 -6.584 1.005) 6.834 5.137 ( 1.534 6.584 1.005) 6.834 5.220 ( 0.924 -1.564 -0.094) 1.819 5.220 ( 0.924 1.564 -0.094) 1.819 5.291 ( 1.744 -0.730 -0.700) 2.016 5.291 ( 1.744 0.730 -0.700) 2.016 5.607 ( 1.736 -1.823 -1.419) 2.891 5.607 ( 1.736 1.823 -1.419) 2.891 5.799 ( 3.806 -5.569 -0.670) 6.778 5.799 ( 3.806 5.569 -0.670) 6.778 5.983 ( 5.454 -0.939 1.304) 5.686 5.983 ( 5.454 0.939 1.304) 5.686 6.137 ( 2.112 -4.100 1.489) 4.846 6.137 ( 2.112 4.100 1.489) 4.846 6.391 ( 0.207 -1.965 3.819) 4.300 6.391 ( 0.207 1.965 3.819) 4.300 6.892 ( 1.435 -4.717 -0.229) 4.936 6.892 ( 1.435 4.717 -0.229) 4.936 7.071 ( 2.779 -1.894 3.015) 4.516 7.071 ( 2.779 1.894 3.015) 4.516 7.250 ( 1.587 -1.116 -1.296) 2.333 7.250 ( 1.587 1.116 -1.296) 2.333 7.350 ( 1.346 -1.784 -0.472) 2.284 7.350 ( 1.346 1.784 -0.472) 2.284 7.414 ( 3.229 -2.456 -1.471) 4.315 7.414 ( 3.229 2.456 -1.471) 4.315 7.699 ( 5.780 -3.411 -1.077) 6.797 7.699 ( 5.780 3.411 -1.077) 6.797 7.878 ( 6.450 -3.414 -0.590) 7.322 7.878 ( 6.450 3.414 -0.590) 7.322 8.023 ( 2.710 -2.386 -4.983) 6.154 8.023 ( 2.710 2.386 -4.983) 6.154 8.265 ( 2.171 -5.750 -0.304) 6.153 8.265 ( 2.171 5.750 -0.304) 6.153 8.493 ( 0.917 -1.845 1.674) 2.654 8.493 ( 0.917 1.845 1.674) 2.654 8.620 ( -0.829 -4.101 -0.307) 4.195 8.620 ( -0.829 4.101 -0.307) 4.195 8.765 ( 5.888 -1.311 1.698) 6.267 8.765 ( 5.888 1.311 1.698) 6.267 8.883 ( -1.588 -5.530 -2.169) 6.148 8.883 ( -1.588 5.530 -2.169) 6.148 9.163 ( 1.107 -4.056 5.890) 7.236 9.163 ( 1.107 4.056 5.890) 7.236 9.345 ( -4.982 -2.497 0.529) 5.598 9.345 ( -4.982 2.497 0.529) 5.598 9.390 ( 2.034 -1.456 -1.205) 2.776 9.390 ( 2.034 1.456 -1.205) 2.776 9.510 ( -0.439 -1.808 -0.194) 1.871 9.510 ( -0.439 1.808 -0.194) 1.871 9.619 ( 1.090 -1.942 -1.874) 2.911 9.619 ( 1.090 1.942 -1.874) 2.911 9.708 ( -3.111 -5.396 -2.669) 6.776 9.708 ( -3.111 5.396 -2.669) 6.776 10.058 ( -3.621 -5.174 1.807) 6.569 10.058 ( -3.621 5.174 1.807) 6.569 10.354 ( -7.981 -4.566 4.093) 10.065 10.354 ( -7.981 4.566 4.093) 10.065 10.511 ( -1.999 -2.225 -4.835) 5.686 10.511 ( -1.999 2.225 -4.835) 5.686 10.727 ( -6.313 -11.331 3.875) 13.538 10.727 ( -6.313 11.331 3.875) 13.538 10.895 ( 4.179 -5.496 -1.331) 7.032 10.895 ( 4.179 5.496 -1.331) 7.032 11.498 ( -4.084 -4.020 2.971) 6.455 11.498 ( -4.084 4.020 2.971) 6.455 12.433 ( -7.310 -6.968 -3.616) 10.727 12.433 ( -7.310 6.968 -3.616) 10.727 13.013 ( -0.465 -1.129 0.045) 1.222 13.013 ( -0.465 1.129 0.045) 1.222 13.073 ( -0.145 -1.050 0.242) 1.088 13.073 ( -0.145 1.050 0.242) 1.088 ======================= Grid point 26 (15/84) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -5.139 -2.273 -0.295) 5.627 1.193 ( -5.139 2.273 -0.295) 5.627 1.479 ( 9.176 -10.190 -0.297) 13.716 1.479 ( 9.176 10.190 -0.297) 13.716 1.843 ( -5.362 -6.330 2.159) 8.572 1.843 ( -5.362 6.330 2.159) 8.572 1.993 ( 7.941 -3.668 0.050) 8.747 1.993 ( 7.941 3.668 0.050) 8.747 2.112 ( -2.372 -0.705 -4.346) 5.002 2.112 ( -2.372 0.705 -4.346) 5.002 2.274 ( 1.937 -2.724 4.935) 5.961 2.274 ( 1.937 2.724 4.935) 5.961 2.384 ( -0.697 -1.744 -1.930) 2.693 2.384 ( -0.697 1.744 -1.930) 2.693 2.500 ( -5.906 -2.628 -0.430) 6.479 2.500 ( -5.906 2.628 -0.430) 6.479 2.563 ( -5.985 -2.272 1.131) 6.501 2.563 ( -5.985 2.272 1.131) 6.501 2.792 ( 1.095 -4.765 -1.600) 5.144 2.792 ( 1.095 4.765 -1.600) 5.144 2.886 ( 1.022 -8.974 0.490) 9.046 2.886 ( 1.022 8.974 0.490) 9.046 3.048 ( 0.580 -5.336 0.357) 5.379 3.048 ( 0.580 5.336 0.357) 5.379 3.087 ( 2.112 -9.876 -1.331) 10.187 3.087 ( 2.112 9.876 -1.331) 10.187 3.390 ( 2.153 -2.902 1.118) 3.782 3.390 ( 2.153 2.902 1.118) 3.782 3.591 ( -4.313 -1.137 -0.372) 4.476 3.591 ( -4.313 1.137 -0.372) 4.476 3.682 ( 1.168 -8.113 0.614) 8.220 3.682 ( 1.168 8.113 0.614) 8.220 3.929 ( 5.473 -11.905 0.826) 13.129 3.929 ( 5.473 11.905 0.826) 13.129 4.079 ( -1.717 -1.187 -2.238) 3.060 4.079 ( -1.717 1.187 -2.238) 3.060 4.305 ( -7.083 -4.389 -0.072) 8.333 4.305 ( -7.083 4.389 -0.072) 8.333 4.517 ( 0.709 -2.447 0.030) 2.548 4.517 ( 0.709 2.447 0.030) 2.548 4.595 ( 1.002 -1.094 0.433) 1.545 4.595 ( 1.002 1.094 0.433) 1.545 4.713 ( 1.203 -0.724 -0.080) 1.407 4.713 ( 1.203 0.724 -0.080) 1.407 4.876 ( 1.231 -4.888 0.253) 5.046 4.876 ( 1.231 4.888 0.253) 5.046 4.923 ( 0.635 -4.085 -0.294) 4.145 4.923 ( 0.635 4.085 -0.294) 4.145 5.166 ( 1.083 -6.812 0.768) 6.941 5.166 ( 1.083 6.812 0.768) 6.941 5.228 ( 0.175 -1.139 -0.060) 1.154 5.228 ( 0.175 1.139 -0.060) 1.154 5.319 ( 0.915 -0.715 -0.277) 1.194 5.319 ( 0.916 0.715 -0.277) 1.194 5.627 ( 0.447 -2.146 -0.759) 2.319 5.627 ( 0.447 2.146 -0.759) 2.319 5.848 ( 1.277 -4.948 -0.244) 5.116 5.848 ( 1.277 4.948 -0.244) 5.116 6.058 ( 2.128 -0.778 0.495) 2.319 6.058 ( 2.128 0.778 0.495) 2.319 6.168 ( 0.919 -3.862 0.671) 4.026 6.168 ( 0.919 3.862 0.671) 4.026 6.396 ( 0.151 -1.397 1.499) 2.054 6.396 ( 0.151 1.397 1.499) 2.054 6.910 ( 0.474 -4.529 -0.112) 4.555 6.910 ( 0.474 4.529 -0.112) 4.555 7.123 ( 1.926 -1.822 2.201) 3.445 7.123 ( 1.926 1.822 2.201) 3.445 7.253 ( -0.555 -1.561 -2.066) 2.649 7.253 ( -0.555 1.561 -2.066) 2.649 7.380 ( 1.172 -0.782 0.428) 1.473 7.380 ( 1.172 0.782 0.428) 1.473 7.470 ( 1.937 -2.427 -0.530) 3.150 7.470 ( 1.937 2.427 -0.530) 3.150 7.777 ( 2.202 -1.843 -0.441) 2.906 7.777 ( 2.202 1.843 -0.441) 2.906 7.970 ( 2.585 -3.909 0.340) 4.699 7.970 ( 2.585 3.909 0.340) 4.699 8.067 ( 1.857 -2.927 -2.794) 4.452 8.067 ( 1.857 2.927 -2.794) 4.452 8.250 ( -1.954 -7.071 0.252) 7.341 8.250 ( -1.954 7.071 0.252) 7.341 8.511 ( 0.289 -2.292 0.169) 2.316 8.511 ( 0.289 2.292 0.169) 2.316 8.633 ( 1.673 -6.007 -0.375) 6.247 8.633 ( 1.673 6.007 -0.375) 6.247 8.792 ( -1.439 -2.364 -0.902) 2.911 8.792 ( -1.439 2.364 -0.902) 2.911 8.961 ( 5.504 -4.242 0.891) 7.006 8.961 ( 5.504 4.242 0.891) 7.006 9.166 ( 0.276 -3.205 3.581) 4.813 9.166 ( 0.276 3.205 3.581) 4.813 9.274 ( -1.815 -3.092 1.668) 3.954 9.274 ( -1.815 3.092 1.668) 3.954 9.425 ( 0.838 -3.267 0.280) 3.384 9.425 ( 0.838 3.267 0.280) 3.384 9.475 ( -2.610 -1.644 -1.642) 3.494 9.475 ( -2.610 1.644 -1.642) 3.494 9.632 ( 0.666 -0.056 -4.888) 4.933 9.632 ( 0.666 0.056 -4.888) 4.933 9.680 ( -0.359 -7.286 0.306) 7.302 9.680 ( -0.359 7.286 0.306) 7.302 9.982 ( -3.326 -5.611 1.519) 6.697 9.982 ( -3.326 5.611 1.519) 6.697 10.221 ( -3.821 -3.467 2.007) 5.536 10.221 ( -3.821 3.467 2.007) 5.536 10.497 ( -0.441 -6.987 -2.548) 7.451 10.497 ( -0.441 6.987 -2.548) 7.451 10.640 ( -2.246 -7.628 2.230) 8.258 10.640 ( -2.246 7.628 2.230) 8.258 10.948 ( 1.279 -7.752 -1.156) 7.941 10.948 ( 1.279 7.752 -1.156) 7.941 11.441 ( -1.614 -2.216 1.914) 3.344 11.441 ( -1.614 2.216 1.914) 3.344 12.341 ( -2.293 -8.918 -1.565) 9.340 12.341 ( -2.293 8.918 -1.565) 9.340 13.006 ( -0.188 -0.811 -0.078) 0.836 13.006 ( -0.188 0.811 -0.078) 0.836 13.074 ( 0.107 -0.419 0.173) 0.466 13.074 ( 0.107 0.419 0.173) 0.466 ======================= Grid point 45 (16/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 2.727 0.000 21.615) 21.786 0.494 ( 1.623 0.000 25.879) 25.930 0.630 ( -2.854 0.000 29.661) 29.798 1.647 ( 3.249 0.000 -8.222) 8.840 1.682 ( 0.950 0.000 7.900) 7.957 1.757 ( 2.245 0.000 -2.718) 3.525 1.866 ( -0.077 0.000 -3.905) 3.906 1.976 ( -1.499 0.000 -1.120) 1.871 2.077 ( -2.772 0.000 -1.317) 3.069 2.087 ( 2.727 0.000 -0.154) 2.731 2.249 ( -4.552 0.000 -6.389) 7.845 2.388 ( -1.650 0.000 -13.723) 13.822 2.497 ( -6.407 0.000 -4.273) 7.701 2.510 ( 6.714 0.000 -2.886) 7.308 2.575 ( 4.161 0.000 -5.217) 6.673 2.628 ( 7.868 0.000 -3.137) 8.470 2.670 ( -6.801 0.000 4.335) 8.065 2.740 ( 9.339 0.000 6.354) 11.296 2.768 ( -2.566 0.000 -1.733) 3.096 2.858 ( -5.228 0.000 -6.554) 8.384 2.920 ( -5.247 0.000 5.527) 7.621 2.992 ( -6.381 0.000 1.620) 6.583 3.021 ( -1.589 0.000 2.567) 3.019 3.189 ( -4.965 0.000 -1.638) 5.228 3.225 ( -3.081 0.000 -3.065) 4.346 3.289 ( 1.898 0.000 7.829) 8.056 3.460 ( -0.700 0.000 0.855) 1.105 3.519 ( -1.707 0.000 -0.082) 1.709 3.593 ( -0.552 0.000 -2.648) 2.705 3.638 ( 6.253 0.000 -4.362) 7.624 3.720 ( -7.808 0.000 -4.745) 9.137 3.749 ( 0.101 0.000 2.965) 2.967 3.971 ( 4.446 0.000 3.890) 5.908 4.054 ( 6.499 0.000 0.392) 6.511 4.120 ( -0.719 0.000 8.621) 8.651 4.130 ( -1.748 0.000 -1.687) 2.429 4.148 ( -0.424 0.000 -3.180) 3.208 4.325 ( -1.953 0.000 -0.369) 1.988 4.354 ( -0.814 0.000 -0.880) 1.198 4.398 ( 0.817 0.000 2.389) 2.525 4.531 ( 1.741 0.000 0.781) 1.909 4.564 ( -2.047 0.000 -2.490) 3.224 4.628 ( -2.698 0.000 -0.250) 2.709 4.646 ( 0.220 0.000 -1.356) 1.374 4.683 ( 0.373 0.000 1.185) 1.242 4.796 ( 10.255 0.000 0.082) 10.255 4.806 ( 1.618 0.000 -0.652) 1.745 4.919 ( -1.002 0.000 2.304) 2.513 5.002 ( -2.918 0.000 -0.709) 3.003 5.047 ( -0.146 0.000 -5.033) 5.035 5.084 ( 2.355 0.000 -1.393) 2.736 5.208 ( -2.524 0.000 3.467) 4.288 5.215 ( 4.433 0.000 -1.938) 4.838 5.275 ( -1.554 0.000 0.371) 1.597 5.335 ( 0.778 0.000 0.658) 1.018 5.479 ( -0.901 0.000 -0.355) 0.968 5.573 ( -0.190 0.000 -0.734) 0.758 5.592 ( 1.721 0.000 -1.920) 2.578 5.648 ( -0.458 0.000 -1.317) 1.395 5.797 ( 0.925 0.000 -7.218) 7.277 5.930 ( -0.312 0.000 2.097) 2.120 6.202 ( 1.410 0.000 3.767) 4.022 6.415 ( 1.604 0.000 7.201) 7.377 6.575 ( -0.960 0.000 1.187) 1.527 6.722 ( 1.435 0.000 -7.843) 7.973 6.855 ( -0.160 0.000 -2.237) 2.243 7.021 ( -4.046 0.000 0.098) 4.047 7.049 ( -2.194 0.000 -1.031) 2.424 7.109 ( 6.022 0.000 0.913) 6.091 7.145 ( 3.313 0.000 -2.360) 4.067 7.208 ( -1.944 0.000 -0.999) 2.186 7.242 ( -1.792 0.000 -1.257) 2.189 7.274 ( 0.290 0.000 0.759) 0.813 7.335 ( -0.270 0.000 2.745) 2.758 7.371 ( 5.373 0.000 1.930) 5.709 7.497 ( -2.131 0.000 4.950) 5.390 7.554 ( -1.117 0.000 -0.409) 1.190 7.669 ( -10.622 0.000 3.252) 11.109 7.679 ( 0.594 0.000 -2.364) 2.438 7.975 ( 0.995 0.000 0.389) 1.068 8.021 ( -3.983 0.000 -1.965) 4.441 8.241 ( 3.284 0.000 -1.349) 3.550 8.275 ( 1.296 0.000 -2.854) 3.134 8.535 ( -0.595 0.000 -2.387) 2.460 8.572 ( -0.304 0.000 2.484) 2.502 8.597 ( 1.854 0.000 10.849) 11.006 8.845 ( -1.639 0.000 1.890) 2.502 8.899 ( 1.559 0.000 -1.334) 2.052 8.906 ( -0.747 0.000 -2.016) 2.150 8.994 ( -1.950 0.000 0.695) 2.070 9.110 ( -0.446 0.000 2.363) 2.405 9.217 ( -3.937 0.000 -0.314) 3.949 9.242 ( 2.761 0.000 0.121) 2.763 9.257 ( 0.836 0.000 0.518) 0.983 9.448 ( 0.687 0.000 1.761) 1.891 9.510 ( -1.113 0.000 -3.268) 3.452 9.568 ( -1.964 0.000 0.637) 2.065 9.592 ( 1.566 0.000 2.616) 3.049 9.672 ( 0.438 0.000 3.371) 3.400 9.689 ( -2.492 0.000 4.710) 5.328 9.999 ( -0.357 0.000 -4.759) 4.772 10.056 ( -0.135 0.000 -1.512) 1.518 10.100 ( 1.252 0.000 -3.375) 3.599 10.250 ( -1.475 0.000 -8.805) 8.928 10.312 ( 3.145 0.000 -0.928) 3.279 10.312 ( 6.499 0.000 -0.338) 6.508 10.373 ( 14.270 0.000 0.344) 14.275 10.567 ( -1.853 0.000 3.553) 4.007 10.629 ( -1.328 0.000 -2.887) 3.178 10.701 ( 6.340 0.000 0.641) 6.373 10.782 ( 0.947 0.000 0.700) 1.177 11.125 ( -0.509 0.000 -10.761) 10.773 11.606 ( 1.460 0.000 7.336) 7.480 12.343 ( -0.542 0.000 12.877) 12.889 12.459 ( -11.778 0.000 -5.304) 12.917 12.981 ( -0.016 0.000 -2.781) 2.781 12.995 ( 0.142 0.000 1.865) 1.871 13.040 ( -0.787 0.000 2.970) 3.072 13.126 ( 0.390 0.000 -0.531) 0.659 13.392 ( -2.080 0.000 -3.035) 3.679 ======================= Grid point 46 (17/84) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 11.180 0.000 6.080) 12.727 0.674 ( 19.222 0.000 14.398) 24.017 1.098 ( 27.880 0.000 20.822) 34.798 1.639 ( -10.938 0.000 6.530) 12.738 1.724 ( 2.849 0.000 -14.624) 14.899 1.762 ( 7.011 0.000 6.685) 9.687 1.865 ( -1.564 0.000 -7.386) 7.549 1.976 ( 1.280 0.000 2.741) 3.025 2.035 ( -1.116 0.000 -1.181) 1.624 2.095 ( -5.284 0.000 4.121) 6.701 2.200 ( 0.945 0.000 -3.992) 4.103 2.268 ( -6.562 0.000 -14.117) 15.567 2.416 ( -2.398 0.000 -7.917) 8.272 2.457 ( -13.014 0.000 3.316) 13.429 2.604 ( -1.479 0.000 0.739) 1.653 2.638 ( -5.014 0.000 -3.103) 5.897 2.641 ( 4.968 0.000 -6.664) 8.312 2.724 ( -1.757 0.000 -4.003) 4.372 2.837 ( 1.951 0.000 5.507) 5.842 2.847 ( 3.858 0.000 -9.298) 10.067 2.928 ( 4.512 0.000 0.884) 4.598 3.054 ( -3.579 0.000 7.266) 8.100 3.063 ( 1.398 0.000 -3.422) 3.697 3.081 ( 1.656 0.000 -3.727) 4.079 3.180 ( 2.203 0.000 2.457) 3.300 3.269 ( -5.317 0.000 3.703) 6.479 3.455 ( -0.555 0.000 7.587) 7.607 3.498 ( -8.044 0.000 -1.522) 8.186 3.535 ( 3.680 0.000 -2.173) 4.273 3.650 ( 1.230 0.000 -4.326) 4.497 3.736 ( -2.857 0.000 1.410) 3.186 3.746 ( 4.316 0.000 -0.659) 4.366 4.004 ( -7.322 0.000 -2.879) 7.867 4.082 ( 5.821 0.000 4.613) 7.427 4.112 ( 0.027 0.000 5.133) 5.133 4.151 ( 1.039 0.000 -4.079) 4.209 4.174 ( 3.911 0.000 -1.209) 4.094 4.334 ( 2.933 0.000 -2.847) 4.088 4.376 ( 2.577 0.000 -1.393) 2.930 4.429 ( 1.751 0.000 3.687) 4.082 4.539 ( -1.972 0.000 1.674) 2.587 4.582 ( 3.194 0.000 0.984) 3.342 4.603 ( -0.422 0.000 -0.057) 0.425 4.654 ( 0.448 0.000 0.162) 0.476 4.665 ( -1.254 0.000 -0.373) 1.309 4.856 ( 2.759 0.000 2.417) 3.668 4.907 ( -0.810 0.000 -1.008) 1.292 4.916 ( 0.980 0.000 0.990) 1.393 5.024 ( 2.669 0.000 -9.088) 9.472 5.065 ( 4.518 0.000 -0.226) 4.523 5.092 ( -3.874 0.000 -1.196) 4.054 5.178 ( 1.809 0.000 3.268) 3.735 5.230 ( -1.071 0.000 -3.741) 3.892 5.269 ( 1.067 0.000 -0.623) 1.235 5.347 ( 0.620 0.000 1.893) 1.992 5.483 ( 1.491 0.000 -1.506) 2.119 5.598 ( 2.716 0.000 -0.517) 2.765 5.670 ( 5.162 0.000 -2.370) 5.680 5.696 ( 6.546 0.000 0.413) 6.559 5.817 ( 1.556 0.000 -7.063) 7.233 5.936 ( 0.843 0.000 1.623) 1.829 6.228 ( 1.545 0.000 4.076) 4.359 6.470 ( 3.385 0.000 8.148) 8.824 6.594 ( 2.621 0.000 0.422) 2.654 6.686 ( -0.142 0.000 3.646) 3.649 6.876 ( 1.867 0.000 -2.055) 2.777 6.998 ( -1.658 0.000 -1.700) 2.375 7.017 ( 1.827 0.000 -2.157) 2.827 7.170 ( -0.761 0.000 0.591) 0.963 7.207 ( -0.383 0.000 0.443) 0.586 7.207 ( 2.395 0.000 -6.618) 7.038 7.250 ( 5.074 0.000 -2.563) 5.685 7.326 ( 3.533 0.000 4.313) 5.576 7.377 ( 4.301 0.000 1.728) 4.635 7.420 ( 1.884 0.000 2.953) 3.503 7.463 ( -2.157 0.000 4.559) 5.043 7.563 ( 2.172 0.000 -1.745) 2.786 7.738 ( 5.255 0.000 -2.071) 5.648 7.768 ( 12.144 0.000 -6.258) 13.662 7.969 ( -1.579 0.000 -1.013) 1.876 8.018 ( 3.206 0.000 0.068) 3.207 8.318 ( 3.761 0.000 -6.436) 7.455 8.329 ( 4.494 0.000 -1.698) 4.804 8.509 ( -1.832 0.000 -3.039) 3.548 8.568 ( -0.123 0.000 3.607) 3.609 8.628 ( 1.127 0.000 9.333) 9.401 8.803 ( -2.591 0.000 0.788) 2.708 8.855 ( -3.600 0.000 -0.412) 3.624 8.914 ( -4.486 0.000 3.929) 5.964 8.938 ( 2.179 0.000 -0.651) 2.274 9.089 ( -1.543 0.000 2.144) 2.641 9.202 ( 1.073 0.000 -1.715) 2.023 9.291 ( 2.071 0.000 2.265) 3.070 9.293 ( 2.514 0.000 1.660) 3.013 9.431 ( -2.685 0.000 -1.645) 3.149 9.468 ( -2.438 0.000 -4.190) 4.848 9.558 ( 0.996 0.000 5.366) 5.458 9.604 ( 0.155 0.000 1.462) 1.471 9.640 ( -2.774 0.000 6.234) 6.823 9.666 ( -1.008 0.000 1.925) 2.173 9.844 ( -8.269 0.000 -0.606) 8.291 10.027 ( -2.892 0.000 -1.348) 3.190 10.172 ( 1.325 0.000 -5.754) 5.904 10.186 ( -3.960 0.000 -7.190) 8.209 10.277 ( -4.815 0.000 -0.564) 4.848 10.398 ( 4.110 0.000 -2.649) 4.890 10.486 ( -3.712 0.000 2.499) 4.475 10.503 ( -1.443 0.000 -2.781) 3.133 10.688 ( 4.716 0.000 -5.117) 6.958 10.799 ( 2.047 0.000 1.239) 2.393 11.000 ( 14.526 0.000 2.140) 14.683 11.065 ( -5.231 0.000 -8.908) 10.330 11.591 ( -2.776 0.000 8.015) 8.483 12.233 ( -10.912 0.000 12.458) 16.561 12.245 ( -7.333 0.000 -4.657) 8.687 12.912 ( -10.119 0.000 -3.004) 10.556 12.997 ( 0.021 0.000 1.754) 1.754 13.022 ( -1.052 0.000 2.198) 2.436 13.082 ( -3.250 0.000 3.065) 4.468 13.184 ( -6.335 0.000 4.736) 7.910 ======================= Grid point 47 (18/84) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 24.652 0.000 -14.430) 28.565 1.059 ( 18.387 0.000 7.287) 19.778 1.373 ( -13.224 0.000 6.650) 14.802 1.559 ( 13.708 0.000 3.936) 14.262 1.742 ( -6.455 0.000 1.946) 6.742 1.782 ( -1.076 0.000 -16.447) 16.483 1.877 ( -10.659 0.000 1.636) 10.784 1.912 ( 6.385 0.000 4.619) 7.880 2.010 ( 5.323 0.000 3.783) 6.531 2.133 ( 9.830 0.000 -2.422) 10.124 2.187 ( -3.164 0.000 -4.022) 5.117 2.221 ( -10.006 0.000 -1.575) 10.129 2.276 ( 5.192 0.000 -3.809) 6.440 2.401 ( 2.510 0.000 -3.579) 4.371 2.513 ( -6.217 0.000 3.568) 7.168 2.536 ( -4.223 0.000 -3.654) 5.584 2.709 ( 0.554 0.000 -6.863) 6.885 2.731 ( 0.745 0.000 3.726) 3.800 2.797 ( -10.432 0.000 -7.140) 12.642 2.879 ( 1.497 0.000 4.305) 4.558 2.921 ( -10.146 0.000 5.556) 11.567 2.949 ( -7.536 0.000 -2.922) 8.083 3.019 ( 4.028 0.000 -2.397) 4.688 3.165 ( 5.944 0.000 -5.463) 8.074 3.218 ( 2.296 0.000 -1.028) 2.516 3.246 ( 0.215 0.000 5.719) 5.723 3.377 ( -3.258 0.000 1.143) 3.453 3.428 ( -1.923 0.000 8.023) 8.250 3.616 ( 3.167 0.000 -3.071) 4.412 3.637 ( -7.486 0.000 2.506) 7.894 3.679 ( 0.839 0.000 -2.559) 2.693 3.817 ( 3.147 0.000 3.267) 4.536 3.875 ( -5.970 0.000 -4.272) 7.341 4.068 ( -2.746 0.000 4.234) 5.047 4.150 ( -0.162 0.000 -3.242) 3.247 4.215 ( 0.499 0.000 0.568) 0.756 4.232 ( 5.792 0.000 1.058) 5.888 4.412 ( -0.044 0.000 -3.380) 3.381 4.434 ( 6.160 0.000 -2.546) 6.666 4.466 ( 3.569 0.000 0.312) 3.582 4.489 ( -0.644 0.000 -0.182) 0.669 4.587 ( -1.384 0.000 1.273) 1.880 4.618 ( 0.526 0.000 1.943) 2.013 4.685 ( 2.621 0.000 0.525) 2.673 4.686 ( 3.488 0.000 -2.676) 4.396 4.861 ( -3.267 0.000 0.547) 3.313 4.885 ( 0.336 0.000 2.932) 2.951 4.965 ( 3.059 0.000 2.368) 3.868 4.997 ( -3.840 0.000 0.270) 3.849 5.053 ( 1.893 0.000 -4.884) 5.238 5.165 ( 3.968 0.000 -1.821) 4.366 5.244 ( 3.945 0.000 0.283) 3.955 5.247 ( 2.708 0.000 -5.596) 6.217 5.300 ( 1.628 0.000 -0.149) 1.635 5.367 ( 1.477 0.000 3.128) 3.459 5.538 ( 3.931 0.000 -2.179) 4.495 5.667 ( 4.256 0.000 0.394) 4.274 5.789 ( 7.139 0.000 -1.401) 7.275 5.855 ( 2.323 0.000 -7.319) 7.679 5.859 ( 9.014 0.000 0.471) 9.027 5.960 ( 1.586 0.000 1.083) 1.920 6.261 ( 1.670 0.000 3.497) 3.875 6.528 ( 2.109 0.000 8.948) 9.194 6.653 ( 2.805 0.000 0.364) 2.828 6.706 ( 1.038 0.000 8.717) 8.779 6.901 ( 0.863 0.000 -1.432) 1.672 7.014 ( 2.900 0.000 -1.688) 3.355 7.063 ( 2.740 0.000 -1.642) 3.194 7.180 ( 2.383 0.000 1.488) 2.809 7.195 ( 0.481 0.000 0.552) 0.732 7.246 ( 1.252 0.000 -2.315) 2.632 7.362 ( 2.574 0.000 6.191) 6.705 7.366 ( 5.651 0.000 -1.538) 5.856 7.437 ( 0.241 0.000 1.003) 1.032 7.469 ( 4.832 0.000 1.723) 5.130 7.554 ( 9.488 0.000 -0.967) 9.537 7.636 ( 5.210 0.000 -2.954) 5.989 7.859 ( 6.609 0.000 -2.503) 7.067 7.938 ( 2.872 0.000 -9.085) 9.528 7.965 ( 4.160 0.000 3.920) 5.715 8.091 ( 4.274 0.000 -1.045) 4.400 8.365 ( 1.421 0.000 -6.094) 6.258 8.428 ( 3.655 0.000 -2.819) 4.616 8.482 ( 0.409 0.000 -1.542) 1.595 8.587 ( 3.315 0.000 5.466) 6.393 8.642 ( 0.202 0.000 5.547) 5.550 8.748 ( -2.779 0.000 -0.065) 2.780 8.792 ( -3.141 0.000 -0.273) 3.153 8.840 ( -2.885 0.000 4.798) 5.599 8.970 ( 0.963 0.000 -0.835) 1.275 9.063 ( -1.036 0.000 1.915) 2.177 9.220 ( 0.051 0.000 -2.979) 2.979 9.327 ( 1.837 0.000 1.139) 2.162 9.334 ( 0.345 0.000 1.147) 1.198 9.360 ( -3.077 0.000 -0.901) 3.206 9.444 ( 0.552 0.000 -3.346) 3.391 9.569 ( -4.138 0.000 5.755) 7.088 9.593 ( 1.896 0.000 5.360) 5.685 9.615 ( 0.042 0.000 1.604) 1.605 9.638 ( -1.637 0.000 1.665) 2.335 9.702 ( -6.675 0.000 1.462) 6.834 9.943 ( -5.774 0.000 -1.890) 6.076 10.083 ( -9.517 0.000 -4.545) 10.547 10.101 ( -4.710 0.000 -5.874) 7.529 10.208 ( -2.253 0.000 -3.905) 4.508 10.431 ( -1.105 0.000 -2.995) 3.192 10.452 ( -0.106 0.000 -2.372) 2.374 10.454 ( -3.134 0.000 3.324) 4.569 10.763 ( 1.573 0.000 -6.374) 6.565 10.854 ( 3.656 0.000 2.174) 4.253 10.961 ( -3.053 0.000 -2.466) 3.924 11.231 ( 10.425 0.000 8.382) 13.377 11.527 ( -3.551 0.000 8.590) 9.295 11.956 ( -17.188 0.000 11.025) 20.420 12.142 ( -4.956 0.000 -13.517) 14.397 12.653 ( -13.645 0.000 -4.210) 14.280 12.993 ( -0.740 0.000 2.211) 2.331 13.008 ( -0.145 0.000 0.785) 0.798 13.066 ( 0.302 0.000 2.067) 2.089 13.124 ( -1.782 0.000 1.585) 2.385 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -8.746 0.000 0.535) 8.762 1.213 ( 23.453 0.000 -17.472) 29.246 1.409 ( -13.678 0.000 -1.612) 13.772 1.432 ( 7.429 0.000 0.866) 7.479 1.578 ( -6.016 0.000 0.327) 6.025 1.854 ( 4.663 0.000 -5.725) 7.384 1.873 ( 3.898 0.000 -6.941) 7.961 2.015 ( 5.959 0.000 -2.553) 6.483 2.086 ( -4.670 0.000 -1.786) 5.000 2.174 ( 1.793 0.000 -3.638) 4.056 2.180 ( 10.192 0.000 8.439) 13.232 2.272 ( 0.479 0.000 -3.582) 3.614 2.385 ( 8.418 0.000 -5.970) 10.320 2.400 ( -5.494 0.000 7.495) 9.293 2.464 ( -17.341 0.000 -5.156) 18.091 2.488 ( 1.791 0.000 2.691) 3.232 2.567 ( 9.531 0.000 4.239) 10.431 2.649 ( -9.027 0.000 8.722) 12.553 2.711 ( -7.391 0.000 1.552) 7.552 2.755 ( -8.089 0.000 -3.034) 8.640 2.771 ( -1.119 0.000 -4.921) 5.047 2.919 ( -0.772 0.000 7.512) 7.552 3.075 ( -1.497 0.000 -3.349) 3.668 3.195 ( 1.185 0.000 -1.324) 1.776 3.218 ( -0.115 0.000 4.844) 4.845 3.320 ( -0.935 0.000 1.456) 1.730 3.370 ( -3.825 0.000 3.240) 5.013 3.426 ( 11.262 0.000 -3.810) 11.889 3.488 ( -6.247 0.000 2.938) 6.903 3.626 ( -1.615 0.000 -1.813) 2.428 3.663 ( -2.376 0.000 -2.393) 3.372 3.769 ( -4.676 0.000 -1.424) 4.888 3.850 ( 0.219 0.000 5.838) 5.842 4.062 ( 2.877 0.000 1.338) 3.173 4.117 ( -3.211 0.000 -4.915) 5.871 4.210 ( -0.477 0.000 -3.751) 3.781 4.311 ( 2.632 0.000 0.589) 2.698 4.435 ( 3.389 0.000 -2.694) 4.329 4.482 ( 1.109 0.000 4.185) 4.329 4.503 ( 0.735 0.000 1.029) 1.265 4.542 ( -3.479 0.000 3.118) 4.672 4.603 ( 4.944 0.000 -4.264) 6.529 4.649 ( 3.881 0.000 -1.099) 4.034 4.729 ( 0.356 0.000 1.725) 1.761 4.751 ( 3.094 0.000 -0.782) 3.192 4.794 ( -2.312 0.000 0.299) 2.332 4.878 ( -0.808 0.000 0.771) 1.117 4.949 ( -0.230 0.000 -0.254) 0.343 5.031 ( 2.592 0.000 2.733) 3.767 5.097 ( 2.529 0.000 -3.195) 4.074 5.219 ( 1.839 0.000 -2.929) 3.458 5.290 ( 0.947 0.000 -2.529) 2.701 5.311 ( 2.717 0.000 -0.867) 2.852 5.337 ( 2.791 0.000 -2.748) 3.917 5.404 ( 2.093 0.000 3.777) 4.318 5.615 ( 3.776 0.000 -1.322) 4.001 5.747 ( 3.710 0.000 0.580) 3.755 5.894 ( 1.673 0.000 -6.883) 7.084 5.921 ( 6.009 0.000 -0.818) 6.065 5.988 ( 1.938 0.000 0.200) 1.949 6.011 ( 5.368 0.000 0.633) 5.405 6.286 ( 0.731 0.000 2.644) 2.743 6.545 ( -0.743 0.000 7.680) 7.716 6.687 ( 0.705 0.000 0.327) 0.777 6.712 ( -0.625 0.000 11.615) 11.632 6.921 ( 1.384 0.000 -0.390) 1.438 7.075 ( 2.849 0.000 -0.803) 2.960 7.110 ( 1.846 0.000 -1.208) 2.206 7.236 ( 0.590 0.000 -2.898) 2.957 7.241 ( 3.981 0.000 0.060) 3.982 7.282 ( 5.569 0.000 5.661) 7.941 7.412 ( 1.729 0.000 2.958) 3.426 7.431 ( 0.818 0.000 1.914) 2.082 7.508 ( 6.497 0.000 1.603) 6.692 7.582 ( 7.325 0.000 -1.438) 7.464 7.740 ( 5.013 0.000 -2.878) 5.780 7.741 ( 9.130 0.000 -1.647) 9.277 7.939 ( -0.115 0.000 -3.083) 3.085 7.960 ( 3.172 0.000 -1.852) 3.674 8.078 ( 5.343 0.000 1.609) 5.580 8.167 ( 3.176 0.000 -1.904) 3.703 8.384 ( 1.157 0.000 -3.120) 3.327 8.424 ( -1.595 0.000 -0.454) 1.659 8.536 ( 3.315 0.000 1.461) 3.623 8.631 ( -1.782 0.000 0.538) 1.862 8.671 ( 1.698 0.000 -0.986) 1.964 8.740 ( -1.452 0.000 0.036) 1.453 8.782 ( 9.482 0.000 0.392) 9.490 8.817 ( 0.190 0.000 3.796) 3.801 8.970 ( -0.808 0.000 -1.578) 1.773 9.048 ( -0.792 0.000 0.429) 0.900 9.191 ( -2.348 0.000 -1.470) 2.770 9.242 ( -6.089 0.000 1.281) 6.222 9.372 ( 2.020 0.000 -0.439) 2.068 9.388 ( 2.533 0.000 1.478) 2.933 9.463 ( -4.114 0.000 -4.075) 5.790 9.485 ( 1.009 0.000 5.259) 5.355 9.569 ( -4.070 0.000 -2.488) 4.771 9.584 ( -3.880 0.000 3.631) 5.315 9.623 ( -1.352 0.000 1.231) 1.829 9.639 ( -0.397 0.000 5.440) 5.454 9.835 ( -3.224 0.000 -0.606) 3.280 9.880 ( -10.185 0.000 -3.463) 10.758 10.003 ( -5.583 0.000 -3.992) 6.863 10.158 ( -2.746 0.000 -4.632) 5.385 10.353 ( -7.025 0.000 -9.377) 11.716 10.392 ( -3.291 0.000 4.984) 5.973 10.461 ( 1.766 0.000 -1.776) 2.505 10.743 ( -1.026 0.000 -1.192) 1.573 10.937 ( 4.702 0.000 1.210) 4.855 10.989 ( 3.885 0.000 -0.375) 3.903 11.392 ( 5.247 0.000 8.371) 9.880 11.469 ( -2.831 0.000 10.663) 11.032 11.619 ( -16.797 0.000 7.669) 18.465 12.014 ( -7.749 0.000 -12.268) 14.510 12.454 ( -5.879 0.000 -9.769) 11.401 12.978 ( -0.666 0.000 1.742) 1.864 13.012 ( 0.354 0.000 0.874) 0.943 13.072 ( 0.026 0.000 0.980) 0.981 13.101 ( -0.769 0.000 1.253) 1.470 ======================= Grid point 49 (20/84) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 1.150 0.000 -5.801) 5.913 1.203 ( -5.806 0.000 -0.829) 5.865 1.315 ( -6.966 0.000 -2.306) 7.338 1.632 ( 18.940 0.000 -19.437) 27.139 1.682 ( 2.559 0.000 2.910) 3.875 1.867 ( -1.367 0.000 -7.415) 7.540 1.989 ( -3.885 0.000 -5.738) 6.929 2.040 ( 9.610 0.000 1.787) 9.775 2.087 ( -2.281 0.000 -5.764) 6.199 2.153 ( -4.768 0.000 -3.139) 5.708 2.203 ( -3.207 0.000 4.633) 5.634 2.287 ( 4.008 0.000 -4.682) 6.163 2.321 ( 0.500 0.000 4.154) 4.184 2.386 ( -0.012 0.000 -0.798) 0.798 2.451 ( 4.237 0.000 2.767) 5.060 2.512 ( -11.726 0.000 3.205) 12.156 2.534 ( 1.202 0.000 2.665) 2.924 2.538 ( 1.481 0.000 -2.734) 3.109 2.627 ( -0.979 0.000 -1.245) 1.584 2.756 ( -1.147 0.000 1.777) 2.116 2.793 ( -1.190 0.000 9.588) 9.662 2.820 ( -3.056 0.000 5.223) 6.051 2.982 ( -3.815 0.000 -6.532) 7.564 3.175 ( -1.429 0.000 2.779) 3.125 3.235 ( 1.730 0.000 -1.415) 2.235 3.275 ( -1.934 0.000 4.934) 5.300 3.365 ( -5.657 0.000 2.266) 6.094 3.448 ( 4.398 0.000 8.138) 9.250 3.592 ( -0.455 0.000 0.942) 1.046 3.613 ( 1.107 0.000 0.078) 1.110 3.634 ( 4.042 0.000 -2.215) 4.609 3.723 ( 2.244 0.000 -2.878) 3.650 3.885 ( 4.662 0.000 -1.714) 4.967 4.015 ( -5.962 0.000 -3.834) 7.088 4.145 ( 3.261 0.000 -0.508) 3.301 4.202 ( -0.391 0.000 -4.701) 4.718 4.340 ( 0.404 0.000 0.570) 0.699 4.419 ( -5.799 0.000 4.264) 7.198 4.490 ( -0.198 0.000 4.161) 4.166 4.498 ( 0.070 0.000 2.495) 2.496 4.558 ( 4.358 0.000 -2.243) 4.901 4.637 ( 0.412 0.000 -2.361) 2.397 4.699 ( -0.103 0.000 0.895) 0.901 4.699 ( -1.587 0.000 -0.060) 1.589 4.774 ( -1.730 0.000 1.742) 2.455 4.805 ( 1.162 0.000 -1.917) 2.242 4.877 ( 1.217 0.000 0.929) 1.531 4.973 ( 2.328 0.000 -2.465) 3.390 5.061 ( 0.290 0.000 1.961) 1.982 5.149 ( 2.932 0.000 -2.853) 4.091 5.231 ( -0.436 0.000 -3.334) 3.362 5.294 ( -0.034 0.000 -0.328) 0.330 5.342 ( 0.423 0.000 -1.196) 1.268 5.388 ( 2.060 0.000 -4.469) 4.921 5.439 ( 1.216 0.000 3.627) 3.826 5.672 ( 1.999 0.000 0.605) 2.089 5.803 ( 2.142 0.000 -0.118) 2.145 5.909 ( -0.028 0.000 -5.845) 5.845 5.994 ( 1.073 0.000 -0.633) 1.246 6.015 ( 1.181 0.000 -0.195) 1.197 6.078 ( 1.340 0.000 -0.036) 1.341 6.285 ( -0.955 0.000 1.853) 2.084 6.503 ( -3.477 0.000 5.352) 6.382 6.685 ( -0.627 0.000 -0.786) 1.006 6.692 ( -1.644 0.000 11.250) 11.369 6.958 ( 2.267 0.000 2.166) 3.135 7.112 ( 0.933 0.000 -0.133) 0.942 7.120 ( -0.992 0.000 -3.651) 3.783 7.242 ( 0.635 0.000 0.360) 0.730 7.315 ( 2.739 0.000 -0.321) 2.757 7.384 ( 2.248 0.000 5.389) 5.839 7.416 ( -1.662 0.000 2.272) 2.815 7.463 ( 4.425 0.000 3.154) 5.434 7.608 ( 2.755 0.000 1.306) 3.049 7.731 ( 7.147 0.000 -2.210) 7.481 7.817 ( 3.277 0.000 -1.604) 3.649 7.856 ( 1.533 0.000 -4.386) 4.646 7.957 ( -3.394 0.000 -1.827) 3.855 7.968 ( 4.085 0.000 1.888) 4.500 8.170 ( 4.459 0.000 5.030) 6.722 8.210 ( 1.646 0.000 -0.014) 1.647 8.405 ( -0.046 0.000 2.024) 2.024 8.423 ( 2.902 0.000 1.114) 3.109 8.566 ( 0.198 0.000 1.280) 1.296 8.585 ( -2.287 0.000 -2.075) 3.088 8.731 ( -0.248 0.000 -2.378) 2.391 8.742 ( 2.935 0.000 -5.016) 5.811 8.834 ( 0.545 0.000 1.628) 1.716 8.908 ( 2.220 0.000 -3.352) 4.020 8.989 ( -4.474 0.000 -5.211) 6.868 9.019 ( 4.339 0.000 -1.663) 4.647 9.155 ( -1.344 0.000 1.765) 2.219 9.163 ( -0.374 0.000 4.696) 4.711 9.339 ( -2.309 0.000 0.467) 2.355 9.394 ( -6.562 0.000 2.686) 7.090 9.428 ( -1.212 0.000 -2.503) 2.781 9.481 ( -3.104 0.000 0.987) 3.257 9.483 ( -0.199 0.000 -0.624) 0.655 9.538 ( -0.141 0.000 0.807) 0.820 9.606 ( -0.374 0.000 -0.410) 0.555 9.607 ( 0.924 0.000 2.077) 2.273 9.751 ( -2.785 0.000 -1.295) 3.071 9.863 ( -1.035 0.000 -2.300) 2.522 9.895 ( 0.759 0.000 2.900) 2.998 10.109 ( -1.912 0.000 -4.576) 4.959 10.228 ( -3.987 0.000 -8.659) 9.533 10.338 ( -2.147 0.000 4.757) 5.219 10.509 ( 2.784 0.000 -1.797) 3.314 10.755 ( 1.869 0.000 -0.495) 1.933 11.011 ( 2.032 0.000 -1.068) 2.296 11.036 ( -1.034 0.000 3.011) 3.184 11.342 ( -7.130 0.000 9.779) 12.102 11.409 ( -3.616 0.000 5.542) 6.617 11.455 ( -1.419 0.000 5.445) 5.627 11.903 ( -1.644 0.000 -9.575) 9.715 12.419 ( 1.575 0.000 -10.515) 10.633 12.970 ( -0.173 0.000 1.568) 1.577 13.021 ( 0.522 0.000 1.282) 1.385 13.065 ( -0.581 0.000 0.221) 0.622 13.091 ( -0.384 0.000 1.025) 1.095 ======================= Grid point 50 (21/84) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 9.182 0.000 -10.567) 13.999 1.218 ( 7.302 0.000 -0.983) 7.368 1.241 ( -1.664 0.000 4.945) 5.217 1.617 ( -3.413 0.000 -2.832) 4.435 1.655 ( -15.100 0.000 -16.026) 22.019 1.826 ( -12.552 0.000 -4.401) 13.301 1.947 ( 0.120 0.000 -5.355) 5.356 2.042 ( 7.340 0.000 -5.689) 9.287 2.149 ( 3.398 0.000 0.965) 3.533 2.182 ( -4.183 0.000 1.351) 4.396 2.254 ( 4.091 0.000 0.270) 4.099 2.271 ( -2.824 0.000 -3.772) 4.712 2.364 ( 8.246 0.000 1.332) 8.352 2.374 ( 2.367 0.000 0.499) 2.419 2.435 ( 5.320 0.000 0.517) 5.345 2.491 ( -10.879 0.000 -4.648) 11.830 2.546 ( -1.322 0.000 1.308) 1.860 2.582 ( -2.767 0.000 7.989) 8.455 2.636 ( 3.805 0.000 0.127) 3.807 2.654 ( 4.608 0.000 6.787) 8.204 2.784 ( 8.086 0.000 2.377) 8.428 2.808 ( -3.634 0.000 -0.005) 3.634 3.022 ( 5.216 0.000 -0.217) 5.220 3.180 ( -0.857 0.000 3.988) 4.079 3.219 ( -1.326 0.000 0.239) 1.347 3.290 ( 1.232 0.000 2.397) 2.695 3.296 ( -0.020 0.000 -1.258) 1.258 3.449 ( -2.506 0.000 5.623) 6.156 3.550 ( -2.402 0.000 -0.345) 2.427 3.638 ( 3.174 0.000 1.383) 3.462 3.675 ( -0.203 0.000 2.233) 2.242 3.863 ( 6.849 0.000 3.386) 7.641 3.863 ( -6.778 0.000 -5.083) 8.472 4.043 ( 7.141 0.000 -4.012) 8.191 4.154 ( -1.910 0.000 0.833) 2.084 4.196 ( 0.783 0.000 -3.033) 3.133 4.333 ( -1.124 0.000 -0.046) 1.125 4.344 ( -1.378 0.000 0.863) 1.626 4.492 ( 0.569 0.000 3.619) 3.664 4.495 ( 0.015 0.000 2.006) 2.006 4.611 ( 0.632 0.000 -2.050) 2.145 4.624 ( -1.776 0.000 -3.857) 4.246 4.677 ( -1.596 0.000 2.092) 2.631 4.689 ( 0.453 0.000 -1.317) 1.393 4.725 ( -2.623 0.000 1.662) 3.105 4.780 ( -3.173 0.000 -2.573) 4.085 4.910 ( 1.630 0.000 2.613) 3.080 5.001 ( -0.970 0.000 -1.569) 1.844 5.046 ( -1.048 0.000 1.518) 1.845 5.176 ( -1.294 0.000 -2.702) 2.995 5.231 ( 1.706 0.000 -2.290) 2.856 5.291 ( -0.376 0.000 -1.564) 1.608 5.327 ( -1.730 0.000 -1.326) 2.180 5.405 ( -0.340 0.000 -3.629) 3.645 5.448 ( -0.417 0.000 3.340) 3.366 5.688 ( -0.452 0.000 1.532) 1.598 5.831 ( 0.480 0.000 1.650) 1.718 5.891 ( -1.578 0.000 -6.437) 6.627 5.974 ( -2.974 0.000 -1.960) 3.562 6.014 ( -1.607 0.000 -0.982) 1.883 6.063 ( -2.580 0.000 0.065) 2.581 6.252 ( -2.381 0.000 0.674) 2.475 6.428 ( -3.997 0.000 3.805) 5.518 6.656 ( -2.254 0.000 9.212) 9.484 6.677 ( 0.053 0.000 -0.472) 0.475 6.996 ( 1.258 0.000 3.202) 3.441 7.073 ( -3.360 0.000 -5.823) 6.723 7.111 ( -0.885 0.000 0.463) 0.999 7.250 ( -0.533 0.000 3.512) 3.552 7.311 ( -2.984 0.000 0.257) 2.995 7.369 ( -2.638 0.000 2.174) 3.419 7.399 ( -0.288 0.000 1.158) 1.193 7.532 ( 0.457 0.000 5.189) 5.209 7.622 ( -0.155 0.000 0.269) 0.310 7.787 ( -6.260 0.000 -0.322) 6.268 7.807 ( -0.964 0.000 -0.536) 1.103 7.827 ( -3.271 0.000 -4.456) 5.527 7.955 ( 5.066 0.000 -3.071) 5.924 8.046 ( 2.634 0.000 6.567) 7.076 8.235 ( 0.605 0.000 1.134) 1.285 8.251 ( 3.295 0.000 7.603) 8.286 8.408 ( -0.921 0.000 2.023) 2.222 8.478 ( 1.919 0.000 4.518) 4.909 8.542 ( -3.096 0.000 -2.762) 4.149 8.555 ( -0.695 0.000 -4.134) 4.192 8.723 ( -0.687 0.000 -4.303) 4.357 8.728 ( -0.043 0.000 -2.385) 2.386 8.791 ( -4.400 0.000 -0.491) 4.428 8.831 ( -9.417 0.000 -6.013) 11.172 8.955 ( -3.998 0.000 -1.456) 4.255 9.072 ( 4.564 0.000 -3.031) 5.479 9.145 ( 1.533 0.000 2.491) 2.925 9.212 ( 3.506 0.000 1.111) 3.678 9.261 ( -4.246 0.000 2.748) 5.058 9.334 ( 0.213 0.000 -1.441) 1.457 9.434 ( 2.616 0.000 -1.362) 2.950 9.464 ( 1.815 0.000 1.144) 2.145 9.500 ( 0.291 0.000 -1.516) 1.543 9.523 ( -0.713 0.000 -0.502) 0.872 9.650 ( 2.316 0.000 3.123) 3.888 9.655 ( 3.920 0.000 2.047) 4.422 9.739 ( 1.209 0.000 -1.585) 1.993 9.790 ( -0.553 0.000 -0.597) 0.814 10.018 ( 5.309 0.000 2.351) 5.806 10.091 ( 0.200 0.000 -4.444) 4.449 10.242 ( 6.749 0.000 -9.058) 11.296 10.323 ( 0.674 0.000 3.526) 3.590 10.546 ( 0.662 0.000 -1.341) 1.496 10.768 ( -2.496 0.000 2.622) 3.621 10.980 ( -0.111 0.000 2.681) 2.683 10.986 ( -4.446 0.000 -3.538) 5.682 11.295 ( -7.541 0.000 0.893) 7.594 11.311 ( -0.313 0.000 9.270) 9.276 11.487 ( 6.361 0.000 4.348) 7.705 11.973 ( 8.823 0.000 -6.033) 10.688 12.479 ( 4.361 0.000 -7.931) 9.051 12.971 ( 0.209 0.000 1.653) 1.666 13.032 ( 0.582 0.000 1.797) 1.889 13.051 ( -0.977 0.000 -0.020) 0.977 13.085 ( -0.201 0.000 0.533) 0.569 ======================= Grid point 51 (22/84) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -0.096 0.000 4.405) 4.406 1.237 ( -22.147 0.000 -13.510) 25.943 1.289 ( 1.557 0.000 -5.767) 5.973 1.472 ( 13.678 0.000 -2.819) 13.965 1.522 ( -7.141 0.000 1.272) 7.253 1.762 ( 11.906 0.000 -13.588) 18.067 1.893 ( -4.964 0.000 2.585) 5.597 2.002 ( -8.805 0.000 -4.504) 9.889 2.049 ( -9.377 0.000 0.900) 9.420 2.211 ( 3.534 0.000 -0.714) 3.606 2.213 ( -4.543 0.000 -7.052) 8.389 2.268 ( -7.598 0.000 7.115) 10.410 2.378 ( 5.930 0.000 1.974) 6.250 2.414 ( -2.784 0.000 0.678) 2.865 2.456 ( -1.299 0.000 -8.002) 8.107 2.516 ( 2.293 0.000 4.935) 5.442 2.534 ( -3.192 0.000 5.301) 6.188 2.628 ( 13.496 0.000 0.018) 13.496 2.713 ( -2.325 0.000 -0.887) 2.488 2.788 ( 12.639 0.000 5.223) 13.675 2.818 ( 7.906 0.000 -3.396) 8.604 2.988 ( 7.526 0.000 5.864) 9.541 3.110 ( 3.608 0.000 0.534) 3.648 3.180 ( 1.612 0.000 3.018) 3.421 3.229 ( 3.980 0.000 -3.309) 5.176 3.291 ( -1.322 0.000 2.368) 2.712 3.308 ( 0.821 0.000 -0.091) 0.826 3.407 ( -0.930 0.000 0.729) 1.182 3.492 ( -4.101 0.000 1.016) 4.225 3.649 ( -2.099 0.000 -2.014) 2.909 3.756 ( 7.922 0.000 2.027) 8.177 3.760 ( -2.993 0.000 -0.601) 3.053 3.930 ( 1.829 0.000 5.979) 6.253 4.058 ( -3.292 0.000 0.728) 3.371 4.182 ( 2.659 0.000 -0.446) 2.696 4.196 ( -2.630 0.000 -2.865) 3.890 4.288 ( -3.407 0.000 -2.127) 4.016 4.361 ( 2.728 0.000 -2.929) 4.003 4.499 ( -0.416 0.000 2.091) 2.132 4.512 ( 1.270 0.000 1.680) 2.106 4.576 ( -2.653 0.000 -2.293) 3.507 4.604 ( -0.476 0.000 0.331) 0.579 4.641 ( -2.733 0.000 -0.183) 2.739 4.676 ( -2.958 0.000 -2.825) 4.090 4.695 ( -4.878 0.000 -3.000) 5.727 4.717 ( 2.644 0.000 -0.451) 2.682 4.911 ( -3.967 0.000 2.389) 4.631 4.957 ( 0.344 0.000 2.318) 2.344 5.031 ( -1.224 0.000 1.021) 1.594 5.128 ( -3.035 0.000 -1.519) 3.394 5.259 ( 0.269 0.000 -2.915) 2.927 5.280 ( -0.658 0.000 -2.535) 2.619 5.285 ( -2.314 0.000 -1.185) 2.600 5.377 ( -2.101 0.000 -2.374) 3.170 5.424 ( -2.033 0.000 3.262) 3.844 5.660 ( -2.294 0.000 1.070) 2.532 5.795 ( -4.372 0.000 3.689) 5.720 5.862 ( -1.334 0.000 -7.374) 7.494 5.880 ( -6.542 0.000 -3.809) 7.570 5.932 ( -6.432 0.000 -2.479) 6.893 6.015 ( -2.082 0.000 1.672) 2.670 6.204 ( -2.284 0.000 0.261) 2.299 6.368 ( -1.962 0.000 2.956) 3.548 6.610 ( -2.696 0.000 7.037) 7.536 6.687 ( 0.654 0.000 0.828) 1.055 6.991 ( -2.051 0.000 1.274) 2.414 7.008 ( -2.707 0.000 -5.194) 5.856 7.094 ( -0.601 0.000 2.090) 2.175 7.205 ( -3.825 0.000 3.753) 5.359 7.230 ( -4.974 0.000 0.654) 5.017 7.327 ( -1.493 0.000 0.122) 1.498 7.384 ( -1.290 0.000 0.178) 1.302 7.465 ( -6.169 0.000 2.690) 6.730 7.617 ( -1.058 0.000 2.706) 2.905 7.630 ( -7.962 0.000 -0.096) 7.963 7.744 ( -5.325 0.000 -1.401) 5.506 7.773 ( -3.377 0.000 -0.077) 3.378 8.010 ( -1.296 0.000 -1.094) 1.696 8.069 ( -0.025 0.000 7.046) 7.046 8.185 ( -6.598 0.000 -2.185) 6.950 8.271 ( -1.778 0.000 5.690) 5.961 8.355 ( -1.706 0.000 -4.966) 5.251 8.473 ( -2.003 0.000 3.360) 3.912 8.526 ( 1.513 0.000 0.601) 1.628 8.538 ( -3.169 0.000 -6.602) 7.323 8.616 ( -9.670 0.000 -4.053) 10.485 8.673 ( 0.052 0.000 0.876) 0.877 8.778 ( 4.085 0.000 1.432) 4.329 8.818 ( 4.723 0.000 3.867) 6.104 8.871 ( -2.774 0.000 -1.437) 3.125 9.108 ( -0.817 0.000 -1.587) 1.785 9.205 ( -1.968 0.000 -2.585) 3.249 9.230 ( 6.162 0.000 1.738) 6.402 9.320 ( 6.194 0.000 2.084) 6.535 9.338 ( -0.678 0.000 -3.677) 3.739 9.412 ( -1.491 0.000 2.165) 2.629 9.502 ( 0.956 0.000 0.174) 0.972 9.515 ( 0.724 0.000 -0.155) 0.741 9.571 ( 3.815 0.000 1.279) 4.024 9.688 ( -0.358 0.000 1.319) 1.366 9.688 ( 2.103 0.000 3.882) 4.415 9.812 ( 6.395 0.000 -5.796) 8.631 9.868 ( 6.624 0.000 0.664) 6.657 10.080 ( 2.456 0.000 -1.750) 3.016 10.116 ( 2.563 0.000 -3.400) 4.258 10.365 ( 3.335 0.000 2.183) 3.986 10.416 ( 7.589 0.000 -8.992) 11.766 10.524 ( -3.079 0.000 -3.789) 4.882 10.720 ( 1.255 0.000 6.663) 6.780 10.872 ( -6.513 0.000 -4.883) 8.140 11.040 ( 3.051 0.000 4.664) 5.573 11.122 ( -10.396 0.000 -1.989) 10.584 11.292 ( 0.138 0.000 3.926) 3.928 11.701 ( 14.419 0.000 7.743) 16.367 12.212 ( 15.075 0.000 -3.452) 15.466 12.571 ( 5.341 0.000 -5.334) 7.548 12.977 ( 0.366 0.000 1.825) 1.861 13.028 ( -1.252 0.000 -0.051) 1.253 13.043 ( 0.490 0.000 2.307) 2.359 13.087 ( 0.477 0.000 0.347) 0.589 ======================= Grid point 52 (23/84) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -25.188 0.000 -12.854) 28.278 0.996 ( -20.665 0.000 4.891) 21.236 1.298 ( 8.378 0.000 1.250) 8.471 1.596 ( -18.004 0.000 10.819) 21.004 1.673 ( 13.989 0.000 -7.182) 15.725 1.771 ( 2.684 0.000 3.280) 4.238 1.809 ( -5.131 0.000 -11.151) 12.275 1.915 ( -0.459 0.000 3.711) 3.739 2.070 ( -5.916 0.000 -3.044) 6.653 2.108 ( 16.208 0.000 -8.757) 18.422 2.166 ( -6.144 0.000 5.239) 8.075 2.283 ( 3.596 0.000 -1.874) 4.055 2.360 ( -0.143 0.000 -1.420) 1.428 2.442 ( 2.097 0.000 2.882) 3.564 2.454 ( -1.834 0.000 -1.070) 2.123 2.476 ( -0.718 0.000 -3.985) 4.049 2.601 ( 6.097 0.000 1.375) 6.250 2.641 ( -3.149 0.000 -6.128) 6.890 2.796 ( 4.210 0.000 -2.056) 4.686 3.001 ( 8.848 0.000 -5.317) 10.323 3.019 ( -0.372 0.000 3.899) 3.917 3.074 ( 10.505 0.000 2.376) 10.770 3.133 ( -2.616 0.000 2.868) 3.881 3.209 ( 2.204 0.000 4.097) 4.652 3.251 ( -0.162 0.000 1.281) 1.291 3.330 ( 1.638 0.000 5.551) 5.787 3.344 ( 2.924 0.000 2.817) 4.060 3.385 ( -5.725 0.000 2.719) 6.338 3.456 ( 5.305 0.000 -6.552) 8.431 3.616 ( -0.834 0.000 -5.243) 5.309 3.769 ( 3.937 0.000 1.439) 4.192 3.894 ( 5.032 0.000 3.943) 6.393 3.981 ( 4.013 0.000 1.478) 4.276 4.018 ( -1.433 0.000 1.520) 2.089 4.104 ( -6.613 0.000 -2.737) 7.157 4.139 ( -5.480 0.000 -0.035) 5.480 4.237 ( -2.212 0.000 -1.384) 2.610 4.416 ( 2.283 0.000 -2.389) 3.304 4.469 ( -3.199 0.000 0.994) 3.350 4.525 ( 0.257 0.000 0.423) 0.495 4.525 ( -3.577 0.000 -0.224) 3.584 4.553 ( -4.130 0.000 -0.158) 4.133 4.596 ( -1.444 0.000 -2.677) 3.041 4.624 ( -0.260 0.000 0.431) 0.503 4.635 ( -1.355 0.000 -3.429) 3.687 4.766 ( 1.365 0.000 -2.955) 3.255 4.832 ( -2.937 0.000 1.749) 3.418 4.979 ( 0.008 0.000 3.237) 3.237 5.005 ( -0.097 0.000 0.358) 0.371 5.069 ( -2.824 0.000 0.139) 2.828 5.218 ( -4.214 0.000 -2.793) 5.056 5.250 ( -1.083 0.000 -0.482) 1.185 5.257 ( -2.195 0.000 -4.306) 4.833 5.346 ( -1.068 0.000 -1.537) 1.872 5.375 ( -2.949 0.000 3.107) 4.283 5.607 ( -3.221 0.000 0.339) 3.239 5.685 ( -6.414 0.000 2.933) 7.053 5.737 ( -7.543 0.000 -4.431) 8.748 5.801 ( -6.621 0.000 -1.673) 6.829 5.825 ( -2.117 0.000 -7.647) 7.934 5.977 ( -1.960 0.000 1.932) 2.752 6.173 ( -0.858 0.000 1.697) 1.902 6.362 ( 1.131 0.000 3.572) 3.747 6.567 ( -1.278 0.000 4.528) 4.705 6.683 ( -1.578 0.000 1.573) 2.228 6.935 ( -3.133 0.000 -0.776) 3.228 6.986 ( 0.689 0.000 -2.860) 2.942 7.074 ( -1.966 0.000 2.835) 3.450 7.134 ( -3.254 0.000 2.501) 4.104 7.150 ( -2.385 0.000 -0.801) 2.516 7.295 ( -2.254 0.000 -0.840) 2.405 7.346 ( -5.038 0.000 1.367) 5.220 7.357 ( -1.478 0.000 -0.159) 1.487 7.488 ( -7.005 0.000 0.461) 7.020 7.570 ( -4.428 0.000 0.266) 4.436 7.629 ( -5.797 0.000 4.963) 7.632 7.689 ( -4.928 0.000 0.731) 4.982 7.881 ( -9.601 0.000 -2.896) 10.028 8.051 ( -2.294 0.000 2.354) 3.287 8.071 ( -4.993 0.000 -2.550) 5.607 8.204 ( -4.212 0.000 2.701) 5.003 8.317 ( -2.828 0.000 -6.095) 6.719 8.378 ( -7.251 0.000 -10.328) 12.619 8.511 ( 1.172 0.000 6.033) 6.146 8.517 ( -0.621 0.000 -0.262) 0.674 8.560 ( 1.438 0.000 1.653) 2.191 8.744 ( 5.419 0.000 3.748) 6.589 8.847 ( 0.066 0.000 1.410) 1.412 8.858 ( 3.078 0.000 0.228) 3.087 8.910 ( 4.191 0.000 6.116) 7.414 9.091 ( -0.111 0.000 -0.458) 0.471 9.178 ( -0.592 0.000 -3.367) 3.419 9.280 ( -2.037 0.000 -1.811) 2.726 9.358 ( 2.790 0.000 -1.356) 3.102 9.399 ( 2.105 0.000 0.225) 2.116 9.403 ( 1.185 0.000 4.404) 4.560 9.531 ( 1.028 0.000 -0.348) 1.085 9.559 ( 4.217 0.000 4.170) 5.931 9.616 ( 1.876 0.000 3.352) 3.841 9.665 ( -1.770 0.000 0.553) 1.854 9.750 ( 3.848 0.000 3.052) 4.911 9.929 ( 4.946 0.000 -8.296) 9.658 9.981 ( 4.515 0.000 -0.654) 4.562 10.131 ( 2.982 0.000 -3.920) 4.926 10.189 ( 4.819 0.000 -1.406) 5.020 10.427 ( 2.016 0.000 0.943) 2.226 10.435 ( -4.587 0.000 -8.100) 9.309 10.492 ( 1.579 0.000 1.492) 2.172 10.748 ( -6.171 0.000 -7.269) 9.535 10.806 ( 2.931 0.000 -2.876) 4.107 10.917 ( -9.586 0.000 -0.383) 9.593 11.043 ( -0.462 0.000 7.283) 7.297 11.377 ( 7.701 0.000 0.858) 7.748 11.998 ( 15.192 0.000 10.796) 18.637 12.487 ( 11.004 0.000 -6.803) 12.937 12.707 ( 10.523 0.000 1.348) 10.609 12.985 ( 0.349 0.000 1.953) 1.983 13.009 ( -0.496 0.000 0.626) 0.799 13.050 ( 0.179 0.000 2.746) 2.752 13.105 ( 1.504 0.000 0.563) 1.606 ======================= Grid point 53 (24/84) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -11.862 0.000 6.387) 13.472 0.604 ( -18.496 0.000 12.405) 22.271 1.115 ( -28.449 0.000 22.937) 36.544 1.508 ( 11.557 0.000 -2.342) 11.792 1.717 ( -4.421 0.000 5.854) 7.335 1.718 ( -1.254 0.000 -10.486) 10.561 1.902 ( -3.170 0.000 -2.098) 3.802 1.958 ( 11.834 0.000 -4.953) 12.829 2.021 ( -2.713 0.000 2.062) 3.408 2.107 ( -0.205 0.000 -1.256) 1.273 2.332 ( 4.786 0.000 -3.606) 5.993 2.342 ( -4.097 0.000 -4.274) 5.920 2.382 ( 8.573 0.000 -11.184) 14.092 2.492 ( 8.452 0.000 0.416) 8.462 2.499 ( 3.580 0.000 -0.764) 3.661 2.512 ( 4.084 0.000 -2.843) 4.976 2.605 ( -0.472 0.000 -6.721) 6.738 2.699 ( 2.849 0.000 2.200) 3.599 2.813 ( -1.436 0.000 -1.418) 2.018 2.973 ( -4.509 0.000 -2.098) 4.973 3.029 ( -5.750 0.000 2.273) 6.183 3.105 ( -4.148 0.000 3.223) 5.253 3.117 ( 0.331 0.000 -1.216) 1.260 3.223 ( -3.262 0.000 1.786) 3.719 3.244 ( 1.274 0.000 0.393) 1.333 3.309 ( -1.842 0.000 4.772) 5.115 3.409 ( 5.570 0.000 3.536) 6.598 3.470 ( 9.175 0.000 -0.887) 9.217 3.535 ( 2.050 0.000 -6.263) 6.590 3.608 ( -0.070 0.000 -3.711) 3.712 3.844 ( -0.228 0.000 0.532) 0.579 3.903 ( -12.926 0.000 -5.801) 14.168 3.934 ( -3.763 0.000 -4.641) 5.974 3.956 ( 2.839 0.000 4.814) 5.589 4.088 ( 4.635 0.000 0.484) 4.660 4.109 ( 1.389 0.000 9.169) 9.274 4.183 ( -2.942 0.000 -0.895) 3.075 4.390 ( -3.992 0.000 0.467) 4.019 4.402 ( -3.134 0.000 -0.503) 3.174 4.428 ( -4.472 0.000 0.361) 4.486 4.521 ( -0.598 0.000 1.138) 1.285 4.565 ( 3.516 0.000 0.121) 3.518 4.586 ( 1.061 0.000 -2.444) 2.665 4.648 ( 2.330 0.000 -1.549) 2.798 4.660 ( 3.630 0.000 2.251) 4.271 4.748 ( -3.619 0.000 -7.965) 8.749 4.801 ( -0.721 0.000 -0.050) 0.722 4.947 ( -1.941 0.000 2.489) 3.157 5.035 ( -0.315 0.000 2.094) 2.117 5.040 ( 2.319 0.000 -0.219) 2.329 5.121 ( -6.125 0.000 -3.192) 6.907 5.185 ( -3.451 0.000 -3.868) 5.184 5.239 ( -0.676 0.000 1.107) 1.297 5.317 ( -2.104 0.000 -0.374) 2.137 5.330 ( -1.088 0.000 1.833) 2.132 5.529 ( -4.281 0.000 0.980) 4.392 5.596 ( -2.434 0.000 0.045) 2.435 5.618 ( -4.179 0.000 -3.093) 5.199 5.694 ( -4.159 0.000 -1.407) 4.391 5.794 ( -0.666 0.000 -7.630) 7.659 5.945 ( -1.285 0.000 2.187) 2.537 6.174 ( 0.889 0.000 2.743) 2.883 6.392 ( 1.269 0.000 6.218) 6.347 6.598 ( 5.354 0.000 1.042) 5.454 6.625 ( -3.726 0.000 1.717) 4.102 6.882 ( -2.264 0.000 -2.096) 3.085 7.027 ( 3.099 0.000 0.736) 3.185 7.053 ( 0.384 0.000 1.906) 1.944 7.085 ( -1.820 0.000 1.773) 2.541 7.127 ( -0.614 0.000 -2.965) 3.028 7.244 ( -2.267 0.000 -0.045) 2.268 7.289 ( -1.633 0.000 -1.636) 2.312 7.312 ( -4.011 0.000 -1.114) 4.163 7.371 ( -3.961 0.000 2.377) 4.620 7.438 ( -8.059 0.000 -1.293) 8.162 7.551 ( -3.213 0.000 7.071) 7.767 7.602 ( -3.777 0.000 0.687) 3.839 7.727 ( -5.511 0.000 -3.156) 6.351 7.947 ( -10.276 0.000 -7.649) 12.810 7.990 ( -2.750 0.000 -1.063) 2.948 8.124 ( -5.372 0.000 -0.323) 5.381 8.239 ( -4.548 0.000 -6.317) 7.783 8.275 ( -1.120 0.000 -4.106) 4.256 8.531 ( 0.947 0.000 -1.124) 1.470 8.552 ( 2.409 0.000 10.207) 10.488 8.575 ( 0.143 0.000 1.881) 1.886 8.854 ( 0.423 0.000 1.246) 1.316 8.857 ( 5.546 0.000 1.641) 5.784 8.886 ( 0.216 0.000 -0.318) 0.384 8.973 ( 2.341 0.000 4.872) 5.405 9.104 ( 0.838 0.000 2.142) 2.301 9.192 ( 2.128 0.000 -2.201) 3.061 9.247 ( -0.861 0.000 -0.645) 1.076 9.332 ( -4.336 0.000 -4.593) 6.317 9.427 ( 1.201 0.000 1.239) 1.725 9.476 ( 4.646 0.000 4.067) 6.174 9.554 ( 1.226 0.000 2.538) 2.818 9.608 ( -1.147 0.000 0.437) 1.227 9.647 ( 1.455 0.000 3.852) 4.117 9.682 ( 4.614 0.000 6.651) 8.095 9.812 ( 4.110 0.000 1.026) 4.237 10.023 ( 6.295 0.000 -2.284) 6.697 10.039 ( 1.832 0.000 -1.789) 2.561 10.197 ( 4.041 0.000 -4.680) 6.183 10.266 ( 1.291 0.000 -2.498) 2.812 10.348 ( -4.009 0.000 -5.420) 6.741 10.376 ( -6.900 0.000 -1.224) 7.008 10.532 ( 2.565 0.000 0.941) 2.732 10.668 ( -0.747 0.000 -4.693) 4.753 10.745 ( -7.008 0.000 0.987) 7.077 10.798 ( -2.942 0.000 1.320) 3.225 11.092 ( 3.629 0.000 -6.257) 7.233 11.526 ( 6.563 0.000 4.937) 8.213 12.249 ( 9.631 0.000 12.439) 15.731 12.579 ( -0.477 0.000 -10.907) 10.918 12.946 ( 6.901 0.000 -2.074) 7.206 12.991 ( 0.256 0.000 1.982) 1.998 13.049 ( 7.551 0.000 7.158) 10.404 13.050 ( -0.308 0.000 3.037) 3.053 13.172 ( 8.543 0.000 3.427) 9.205 ======================= Grid point 54 (25/84) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 2.096 16.575 9.846) 19.393 0.699 ( -1.845 17.871 17.879) 25.346 1.125 ( 0.367 33.823 17.696) 38.174 1.311 ( 1.609 -18.282 -0.032) 18.353 1.489 ( 0.284 -18.961 5.973) 19.881 1.902 ( 2.790 5.378 -7.478) 9.624 1.965 ( -1.933 4.767 -8.698) 10.105 2.047 ( 1.311 0.852 -1.628) 2.257 2.114 ( 5.504 12.283 -1.509) 13.544 2.183 ( -3.728 6.964 1.139) 7.981 2.216 ( -1.540 -3.523 -9.317) 10.079 2.381 ( 2.203 -14.066 2.811) 14.513 2.442 ( 0.167 2.664 -13.201) 13.468 2.472 ( -2.666 -0.979 -0.323) 2.859 2.515 ( -2.349 -3.285 -3.611) 5.418 2.631 ( 1.288 -2.662 -1.128) 3.165 2.654 ( -0.106 -1.027 -0.035) 1.033 2.700 ( 2.720 -4.942 6.192) 8.376 2.773 ( -3.374 -3.033 -1.751) 4.863 2.791 ( 2.617 -1.486 0.022) 3.010 2.924 ( -1.503 2.139 3.102) 4.057 2.971 ( -1.489 -0.489 3.135) 3.505 3.094 ( -3.821 0.868 0.752) 3.990 3.163 ( -0.255 -2.727 -1.075) 2.942 3.258 ( -2.684 -3.042 1.593) 4.358 3.272 ( -0.054 6.179 0.055) 6.180 3.331 ( 1.087 -0.130 1.705) 2.027 3.458 ( -2.154 -3.018 -5.348) 6.508 3.630 ( -0.606 -2.177 -6.941) 7.300 3.656 ( -5.257 -5.419 -2.647) 8.001 3.721 ( 2.611 1.239 2.309) 3.700 3.781 ( 0.053 -0.655 1.286) 1.444 3.888 ( 1.465 -0.344 1.691) 2.264 4.015 ( 2.463 -3.267 3.838) 5.610 4.152 ( 0.769 4.934 1.614) 5.248 4.188 ( -0.785 2.846 1.095) 3.149 4.221 ( 0.682 3.462 -3.756) 5.154 4.323 ( -0.097 -2.405 -1.501) 2.837 4.378 ( 0.021 1.329 -0.687) 1.496 4.406 ( 1.083 2.387 -0.598) 2.689 4.510 ( -0.969 -1.180 3.079) 3.437 4.558 ( -1.778 -1.649 1.188) 2.701 4.617 ( 0.537 -0.490 0.675) 0.992 4.662 ( 1.552 0.006 0.521) 1.637 4.704 ( -0.759 3.544 -2.118) 4.198 4.735 ( 3.063 -2.512 1.071) 4.103 4.785 ( 0.644 -1.872 -0.531) 2.050 4.909 ( 1.133 -1.254 -0.924) 1.926 5.041 ( -1.787 3.355 1.973) 4.283 5.101 ( 0.877 2.959 0.600) 3.144 5.127 ( 1.846 2.597 -4.356) 5.397 5.156 ( -0.654 -2.050 2.454) 3.264 5.228 ( -0.353 -0.701 -1.241) 1.468 5.260 ( -0.825 -1.292 -0.188) 1.544 5.404 ( 0.421 6.193 -1.569) 6.403 5.475 ( -0.980 1.229 -0.910) 1.817 5.557 ( -0.583 -1.505 -0.895) 1.845 5.649 ( -0.538 1.931 -3.807) 4.302 5.696 ( 1.161 0.819 -5.323) 5.509 5.744 ( 0.605 -4.058 -6.491) 7.679 6.004 ( -0.014 6.130 -0.121) 6.131 6.174 ( 1.186 -2.683 3.063) 4.241 6.422 ( 2.676 1.552 7.142) 7.783 6.563 ( -0.165 -2.954 3.653) 4.701 6.704 ( 2.362 1.258 -1.604) 3.120 6.834 ( -0.210 -2.416 -4.439) 5.058 7.023 ( -2.616 -0.214 -2.243) 3.452 7.044 ( -4.882 1.281 0.132) 5.049 7.111 ( 3.056 -0.565 -1.214) 3.337 7.163 ( 2.000 0.839 -2.131) 3.040 7.191 ( 0.321 -0.797 -0.993) 1.313 7.237 ( -0.305 -0.221 -2.504) 2.532 7.286 ( -0.202 1.162 0.447) 1.261 7.351 ( 1.258 -0.548 1.147) 1.788 7.380 ( 1.589 2.304 3.858) 4.767 7.499 ( -1.897 0.217 4.629) 5.007 7.527 ( -1.458 -3.506 1.502) 4.083 7.565 ( -4.919 -4.212 6.015) 8.839 7.726 ( -0.665 3.978 -1.646) 4.356 7.930 ( 0.285 -3.337 -2.500) 4.179 8.018 ( -3.066 0.611 -0.243) 3.136 8.177 ( 0.726 -6.839 -0.708) 6.914 8.385 ( 2.338 6.977 -3.521) 8.158 8.520 ( 0.561 -1.308 -0.489) 1.504 8.618 ( 0.450 5.171 2.696) 5.849 8.659 ( 0.570 4.056 6.536) 7.714 8.795 ( 0.165 -5.503 4.700) 7.239 8.821 ( -0.762 -2.459 2.501) 3.589 8.936 ( -2.650 0.666 0.593) 2.796 8.993 ( 1.178 0.519 -0.308) 1.323 9.071 ( -0.442 -2.979 1.712) 3.465 9.166 ( 1.387 -4.415 -1.003) 4.735 9.243 ( -0.968 1.061 0.390) 1.488 9.270 ( 0.102 -0.118 2.137) 2.142 9.464 ( -0.491 -0.039 -0.415) 0.644 9.465 ( 1.511 0.041 1.771) 2.328 9.573 ( -1.073 0.771 0.019) 1.322 9.597 ( -1.086 -0.167 2.574) 2.798 9.674 ( 0.527 -0.003 4.229) 4.262 9.693 ( -0.240 1.200 5.982) 6.106 9.803 ( -1.055 -2.808 -3.107) 4.319 9.959 ( 2.675 -9.177 -3.721) 10.257 10.148 ( 1.901 -3.474 -2.831) 4.868 10.186 ( 1.985 -3.915 -0.867) 4.474 10.359 ( -2.548 5.178 -5.702) 8.112 10.386 ( 2.502 3.222 -4.368) 5.977 10.479 ( 0.029 4.078 -5.831) 7.116 10.583 ( 2.176 -2.568 -3.108) 4.582 10.652 ( -2.088 5.475 3.613) 6.885 10.752 ( 7.365 2.531 0.565) 7.808 10.851 ( 1.005 6.170 -1.849) 6.519 11.052 ( -1.639 -4.181 -7.743) 8.951 11.624 ( 0.885 4.396 11.853) 12.673 12.064 ( -2.070 -14.057 5.735) 15.322 12.745 ( -3.249 9.799 -4.241) 11.161 12.925 ( -0.499 -3.825 -0.804) 3.941 13.014 ( -0.088 1.073 2.099) 2.358 13.034 ( 0.101 -0.039 3.060) 3.062 13.179 ( 0.186 5.401 -1.025) 5.500 13.391 ( -1.012 -2.093 -3.950) 4.584 ======================= Grid point 55 (26/84) ======================= q-point: ( 0.11 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 4.516 19.172 5.163) 20.362 0.800 ( 16.103 12.470 10.941) 23.120 1.338 ( 8.346 -2.438 5.942) 10.531 1.442 ( 9.208 6.719 11.945) 16.511 1.452 ( 4.810 -14.285 0.904) 15.100 1.921 ( -3.238 3.235 -7.065) 8.418 1.951 ( 0.270 3.847 -2.272) 4.476 2.044 ( -4.205 5.033 -1.376) 6.701 2.074 ( -0.969 5.933 -2.213) 6.406 2.165 ( -2.190 4.303 -2.918) 5.642 2.243 ( 1.352 5.727 0.292) 5.892 2.305 ( -8.365 2.424 -10.155) 13.378 2.361 ( -2.351 -2.410 -7.813) 8.508 2.464 ( -1.804 -4.245 4.102) 6.172 2.477 ( -1.654 -8.052 -4.085) 9.179 2.627 ( -0.709 1.451 0.752) 1.782 2.670 ( 1.211 -2.498 -3.333) 4.337 2.707 ( 1.238 -9.673 -5.166) 11.036 2.736 ( 1.072 -2.391 2.290) 3.480 2.819 ( 0.148 -2.402 4.482) 5.087 2.944 ( 0.128 5.847 0.018) 5.848 2.971 ( -1.905 -4.217 -1.823) 4.973 3.103 ( 1.130 -2.269 -1.894) 3.164 3.161 ( -5.529 3.660 2.156) 6.972 3.183 ( 4.075 -2.763 4.018) 6.355 3.274 ( -1.992 -0.958 2.729) 3.512 3.307 ( -2.332 4.057 1.943) 5.067 3.482 ( 4.487 -3.376 -4.168) 6.993 3.539 ( -3.329 -7.616 -5.677) 10.066 3.597 ( -3.909 -1.580 0.839) 4.299 3.734 ( -0.063 0.484 0.201) 0.528 3.779 ( -1.409 -0.472 2.409) 2.830 3.943 ( 0.973 -1.726 0.255) 1.998 4.033 ( 1.095 -3.189 0.223) 3.379 4.157 ( -1.175 3.131 1.796) 3.796 4.195 ( 3.435 4.069 1.056) 5.429 4.238 ( 0.711 3.506 -4.909) 6.074 4.364 ( 3.752 -1.087 -1.170) 4.078 4.410 ( -0.656 1.549 1.796) 2.461 4.426 ( 3.701 4.086 -1.025) 5.607 4.508 ( -2.628 -3.383 2.025) 4.739 4.539 ( 2.774 -1.952 1.150) 3.581 4.616 ( 1.042 0.680 -0.921) 1.549 4.685 ( -0.080 0.935 0.674) 1.155 4.720 ( 1.415 3.713 -1.019) 4.102 4.802 ( 3.172 -3.736 1.451) 5.112 4.826 ( 3.191 -1.829 -0.414) 3.702 4.946 ( -1.594 0.634 -0.544) 1.800 5.034 ( 3.274 0.243 -1.455) 3.591 5.086 ( -4.422 -0.629 1.047) 4.587 5.127 ( 1.199 3.551 1.603) 4.077 5.171 ( 2.455 0.639 -1.998) 3.229 5.221 ( -0.394 -1.518 -1.887) 2.454 5.255 ( 0.669 -1.389 -1.090) 1.889 5.426 ( 1.526 6.706 -1.313) 7.001 5.482 ( 1.891 0.874 -1.336) 2.475 5.570 ( 2.132 -2.011 -0.814) 3.042 5.676 ( 3.475 -0.823 -2.976) 4.649 5.733 ( 4.018 1.488 -2.091) 4.767 5.780 ( 3.192 -2.728 -5.741) 7.113 5.998 ( 0.052 5.646 0.924) 5.721 6.193 ( 1.127 -3.305 3.173) 4.718 6.481 ( 2.911 1.236 8.399) 8.975 6.567 ( 1.288 -2.270 5.160) 5.783 6.730 ( 1.394 3.574 -0.077) 3.837 6.848 ( 1.970 -2.348 -1.941) 3.628 6.991 ( -0.263 -0.036 -2.340) 2.355 7.031 ( 1.837 0.751 -3.000) 3.597 7.150 ( -0.750 -1.524 0.131) 1.703 7.193 ( 3.946 -2.124 -4.885) 6.629 7.234 ( 0.151 2.244 -0.739) 2.368 7.265 ( 4.953 1.424 -1.775) 5.451 7.300 ( 1.890 0.152 3.002) 3.551 7.396 ( -0.186 -1.821 3.847) 4.261 7.426 ( 6.201 1.877 1.735) 6.707 7.463 ( -1.601 -0.026 5.053) 5.301 7.558 ( 2.957 -0.341 -1.509) 3.337 7.651 ( 11.307 -7.833 -2.487) 13.978 7.764 ( 4.480 2.775 -1.543) 5.491 7.935 ( -0.262 -3.461 -2.149) 4.082 8.013 ( 2.688 1.845 1.160) 3.461 8.227 ( 4.225 -7.980 0.491) 9.042 8.421 ( 1.313 5.417 -5.871) 8.095 8.508 ( -1.369 -0.229 -2.522) 2.879 8.620 ( -0.295 5.123 3.094) 5.992 8.673 ( 0.709 3.433 7.025) 7.850 8.777 ( -1.891 -3.492 3.227) 5.118 8.807 ( -0.995 -3.488 4.056) 5.441 8.872 ( -3.379 1.802 0.012) 3.830 9.004 ( -0.155 -0.757 -1.185) 1.415 9.070 ( 0.622 0.579 1.696) 1.897 9.190 ( 1.396 -2.052 -0.640) 2.563 9.265 ( 2.444 -1.102 0.090) 2.682 9.284 ( 1.136 -0.831 2.086) 2.516 9.435 ( -2.093 0.838 -1.437) 2.674 9.485 ( -0.651 0.115 -1.439) 1.584 9.552 ( -0.156 -0.263 2.823) 2.839 9.572 ( -1.297 -2.089 2.104) 3.236 9.658 ( -2.057 1.657 6.330) 6.859 9.680 ( -0.924 1.343 2.291) 2.812 9.764 ( -2.873 -1.361 -1.561) 3.542 9.953 ( -2.894 -10.327 -3.777) 11.370 10.127 ( -3.699 2.444 -2.255) 4.974 10.200 ( 0.028 -2.334 -2.001) 3.075 10.372 ( 2.146 -1.217 -3.024) 3.902 10.404 ( -0.609 0.656 -2.680) 2.826 10.448 ( -2.959 4.780 -7.339) 9.245 10.615 ( 1.030 3.407 -0.567) 3.604 10.674 ( 3.170 3.809 -0.261) 4.962 10.833 ( -0.064 2.390 -0.191) 2.399 10.973 ( 10.022 -3.136 3.920) 11.209 10.986 ( -4.075 -4.264 -7.774) 9.758 11.612 ( -1.973 3.852 10.976) 11.798 11.972 ( -7.003 -11.742 4.040) 14.256 12.593 ( -11.979 13.849 -3.552) 18.652 12.853 ( -8.144 -4.157 -1.638) 9.289 13.012 ( -0.123 1.200 1.951) 2.294 13.038 ( 0.143 0.317 1.618) 1.655 13.128 ( -4.657 4.029 0.488) 6.177 13.217 ( -9.063 1.756 1.657) 9.379 ======================= Grid point 56 (27/84) ======================= q-point: ( 0.22 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 17.353 7.126 -7.098) 20.057 1.156 ( 15.402 8.078 4.752) 18.029 1.277 ( -2.646 -9.495 5.162) 11.127 1.606 ( 8.265 -10.789 -4.222) 14.232 1.702 ( -4.134 7.320 -4.588) 9.577 1.732 ( -4.659 2.556 2.567) 5.901 1.826 ( -7.321 -1.330 4.088) 8.490 2.061 ( 0.653 9.556 -5.262) 10.929 2.069 ( 0.920 -2.736 -2.866) 4.067 2.177 ( 6.708 8.270 -1.918) 10.819 2.219 ( -2.486 3.730 -2.373) 5.072 2.241 ( -1.092 5.589 1.961) 6.022 2.344 ( 0.463 0.683 -7.699) 7.743 2.417 ( 2.547 3.136 0.495) 4.071 2.460 ( -1.065 -4.029 -4.833) 6.381 2.539 ( -4.852 2.785 3.876) 6.806 2.693 ( -8.131 -7.534 -5.433) 12.344 2.724 ( 1.953 -1.993 -2.316) 3.626 2.753 ( 0.109 0.922 2.480) 2.648 2.869 ( -1.798 -2.827 -0.192) 3.356 2.895 ( 3.045 -6.408 0.497) 7.112 2.977 ( 1.319 0.032 -0.354) 1.366 3.013 ( -8.139 4.083 1.178) 9.182 3.114 ( -0.783 -0.446 0.742) 1.167 3.160 ( 0.177 -10.617 5.608) 12.009 3.257 ( -3.530 3.209 1.396) 4.971 3.310 ( 2.159 0.224 4.063) 4.607 3.497 ( -3.371 -6.164 0.365) 7.035 3.511 ( -1.632 0.423 -0.185) 1.696 3.615 ( 6.130 -0.971 -2.464) 6.678 3.713 ( -2.645 -0.008 -0.628) 2.718 3.759 ( 0.676 -3.777 1.911) 4.286 3.884 ( -5.725 1.686 -1.158) 6.079 4.048 ( -0.640 -5.444 2.176) 5.897 4.136 ( -1.928 2.861 0.085) 3.451 4.228 ( -1.744 -1.325 -2.165) 3.080 4.278 ( 3.970 5.275 -0.085) 6.603 4.412 ( 0.677 0.156 -1.865) 1.990 4.427 ( 2.302 -0.928 0.643) 2.564 4.496 ( 2.642 2.266 0.798) 3.571 4.499 ( 4.107 0.949 -4.092) 5.875 4.573 ( 1.219 -0.469 1.094) 1.704 4.644 ( -0.952 -0.787 -2.053) 2.396 4.660 ( -0.159 -0.210 -1.897) 1.915 4.748 ( 1.749 4.464 0.633) 4.836 4.848 ( 1.669 -0.310 2.823) 3.294 4.888 ( -2.323 -0.229 1.132) 2.594 4.904 ( 4.238 -3.575 0.970) 5.629 5.005 ( -2.163 1.960 0.307) 2.935 5.111 ( 2.432 1.137 -3.810) 4.661 5.162 ( 2.359 1.045 0.126) 2.583 5.222 ( 2.398 -1.134 -1.185) 2.906 5.241 ( 2.913 -0.517 -1.046) 3.138 5.279 ( 1.196 -1.735 -0.489) 2.163 5.458 ( 1.943 6.807 -0.804) 7.124 5.544 ( 4.092 0.949 -1.513) 4.464 5.633 ( 4.206 -2.463 -0.126) 4.875 5.761 ( 4.563 -3.919 -4.473) 7.495 5.844 ( 6.223 0.669 -1.791) 6.510 5.875 ( 7.053 0.218 -1.525) 7.220 6.014 ( 1.520 5.113 0.785) 5.392 6.222 ( 1.663 -3.802 2.450) 4.819 6.529 ( 1.631 0.268 9.294) 9.440 6.599 ( 1.277 -3.341 7.340) 8.165 6.768 ( 2.135 4.130 1.773) 4.976 6.886 ( 1.706 -1.585 -0.839) 2.475 7.021 ( 3.152 0.905 -0.489) 3.316 7.078 ( 2.587 0.477 -3.880) 4.688 7.158 ( 1.763 -0.421 1.239) 2.195 7.225 ( 0.922 0.477 -0.077) 1.041 7.252 ( 1.491 1.817 -2.532) 3.455 7.348 ( 3.315 0.039 3.585) 4.883 7.364 ( 3.604 -1.350 3.559) 5.242 7.413 ( 2.090 -3.084 0.576) 3.769 7.484 ( 4.555 3.047 0.344) 5.491 7.574 ( 8.274 0.682 -0.071) 8.303 7.649 ( 6.346 1.528 -2.821) 7.111 7.829 ( 7.183 -5.913 -3.309) 9.874 7.886 ( 6.995 -1.517 -3.381) 7.915 7.936 ( 0.995 -1.543 0.190) 1.846 8.091 ( 4.596 1.663 -0.125) 4.889 8.326 ( 5.153 -8.586 -0.493) 10.026 8.435 ( 0.643 4.173 -5.621) 7.030 8.488 ( 0.123 0.376 -1.788) 1.831 8.606 ( -1.374 3.138 3.481) 4.884 8.693 ( 1.217 2.802 4.338) 5.305 8.728 ( -2.779 -1.264 2.200) 3.763 8.791 ( -0.400 -1.646 3.176) 3.600 8.815 ( -2.248 1.676 1.462) 3.163 8.983 ( -1.934 -3.953 -2.079) 4.868 9.100 ( 2.217 5.545 1.506) 6.159 9.224 ( 1.973 -0.359 -0.653) 2.109 9.302 ( 0.968 -1.189 -1.185) 1.938 9.326 ( 2.752 -1.258 0.399) 3.052 9.386 ( -2.576 2.307 -0.273) 3.469 9.451 ( -2.027 0.473 -0.790) 2.226 9.535 ( -2.162 -1.834 2.574) 3.829 9.568 ( -0.290 -3.519 2.367) 4.251 9.624 ( -1.103 1.999 3.576) 4.242 9.654 ( -1.761 1.770 1.107) 2.731 9.698 ( -3.498 0.304 2.220) 4.154 9.862 ( -6.135 -8.987 -3.761) 11.513 10.037 ( -5.497 5.190 -2.437) 7.943 10.177 ( -2.165 -2.798 -2.492) 4.328 10.339 ( -5.901 9.827 -7.849) 13.893 10.392 ( -0.646 -1.136 -3.320) 3.568 10.420 ( 0.535 -1.534 -2.845) 3.276 10.586 ( -4.173 10.070 4.631) 11.843 10.720 ( -0.385 -3.075 -5.923) 6.685 10.845 ( 1.763 -0.436 2.082) 2.763 10.900 ( -1.963 -4.356 -1.437) 4.989 11.146 ( 6.444 -8.802 6.774) 12.841 11.570 ( -2.281 4.174 8.768) 9.975 11.813 ( -9.426 -8.379 5.141) 13.619 12.342 ( -12.503 12.319 -7.001) 18.897 12.623 ( -13.417 -3.145 -4.532) 14.507 13.008 ( -0.485 1.286 1.634) 2.135 13.029 ( -0.976 1.307 0.406) 1.682 13.075 ( -0.432 1.149 2.099) 2.432 13.125 ( -2.332 -0.151 1.305) 2.677 ======================= Grid point 57 (28/84) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -3.198 2.332 -0.844) 4.047 1.180 ( 17.666 -1.569 -11.709) 21.252 1.410 ( -13.475 -0.658 -0.368) 13.496 1.444 ( -5.725 -2.167 -4.205) 7.427 1.622 ( 10.716 5.822 2.450) 12.440 1.801 ( 5.225 -1.560 -6.398) 8.407 1.881 ( 4.403 -0.525 -2.258) 4.976 2.039 ( -3.410 -5.594 -3.384) 7.373 2.054 ( -0.985 2.305 -5.046) 5.634 2.153 ( -2.557 -0.283 -0.458) 2.613 2.220 ( 5.322 5.134 0.869) 7.445 2.306 ( -0.375 1.005 -3.768) 3.918 2.403 ( -3.755 -3.148 0.863) 4.975 2.428 ( -8.875 -1.678 -4.873) 10.263 2.485 ( 6.627 6.063 -1.447) 9.097 2.524 ( 1.732 7.615 9.073) 11.971 2.546 ( 5.547 1.884 -2.652) 6.430 2.672 ( -6.242 -0.697 -1.249) 6.404 2.741 ( -3.808 4.529 7.536) 9.581 2.791 ( -4.620 1.908 0.359) 5.011 2.834 ( -4.803 4.989 1.469) 7.079 2.939 ( 0.197 1.920 1.397) 2.383 3.036 ( -2.683 -3.074 1.826) 4.471 3.126 ( 2.665 -8.293 1.944) 8.925 3.155 ( -1.858 -8.160 -1.370) 8.481 3.218 ( -0.020 -4.658 4.705) 6.621 3.352 ( 4.211 -1.789 1.813) 4.921 3.457 ( -1.394 -2.139 2.582) 3.631 3.495 ( 2.056 5.175 -2.802) 6.233 3.663 ( -2.563 -0.411 -2.271) 3.449 3.666 ( -0.545 0.986 -0.837) 1.403 3.749 ( -7.629 2.647 1.612) 8.234 3.819 ( 4.664 -4.444 2.934) 7.079 4.046 ( 1.462 -2.314 1.350) 3.052 4.092 ( -1.954 -1.368 -2.268) 3.291 4.149 ( -4.985 -5.932 -3.486) 8.497 4.322 ( 0.339 2.151 -0.145) 2.182 4.435 ( 1.638 1.670 0.644) 2.426 4.482 ( 2.101 0.206 -1.156) 2.407 4.532 ( -1.417 0.384 0.876) 1.710 4.550 ( -0.008 -0.740 1.254) 1.456 4.596 ( 3.785 -0.182 -1.903) 4.240 4.652 ( 1.922 0.658 -1.176) 2.347 4.683 ( 2.078 -1.672 -1.112) 2.889 4.787 ( 2.496 2.176 0.417) 3.338 4.824 ( -2.391 2.644 0.282) 3.576 4.902 ( 1.637 -0.997 0.980) 2.153 4.974 ( 2.667 -1.227 -0.166) 2.941 4.993 ( 0.564 3.539 0.081) 3.584 5.148 ( 1.855 2.713 -2.079) 3.889 5.196 ( 1.089 -1.692 -2.675) 3.347 5.274 ( 2.814 -1.043 -1.313) 3.276 5.290 ( -0.058 -2.091 0.221) 2.104 5.302 ( 3.073 -1.515 0.122) 3.428 5.498 ( 1.996 6.380 -0.801) 6.732 5.620 ( 3.469 0.226 -0.174) 3.481 5.716 ( 4.036 -1.956 -0.279) 4.494 5.831 ( 2.846 -4.644 -5.970) 8.082 5.959 ( 5.381 2.069 -0.907) 5.836 5.999 ( 4.479 0.173 -0.169) 4.486 6.054 ( 2.677 4.688 0.436) 5.416 6.251 ( 1.113 -3.493 1.578) 3.991 6.538 ( -1.026 -0.352 8.542) 8.611 6.609 ( -0.482 -4.184 8.623) 9.597 6.799 ( 0.795 5.021 2.574) 5.699 6.918 ( 1.782 -0.638 0.181) 1.902 7.085 ( 2.777 0.821 0.433) 2.928 7.113 ( 1.007 0.157 -3.648) 3.788 7.208 ( 2.538 -0.799 -0.426) 2.695 7.254 ( 2.374 -1.691 2.058) 3.568 7.301 ( 4.184 3.350 0.544) 5.387 7.409 ( 1.980 -1.150 3.096) 3.851 7.411 ( 2.183 -0.176 3.222) 3.896 7.486 ( 5.039 -3.271 2.102) 6.364 7.601 ( 6.611 2.728 -1.760) 7.365 7.727 ( 7.216 -0.914 -1.799) 7.493 7.778 ( 6.150 2.575 -2.244) 7.035 7.934 ( 2.665 0.723 0.360) 2.785 7.956 ( 4.273 -2.849 -5.106) 7.242 8.027 ( 5.737 -2.865 2.281) 6.806 8.159 ( 1.896 0.963 -1.973) 2.901 8.380 ( 0.593 -5.915 -2.456) 6.432 8.457 ( 1.845 4.864 -2.945) 5.978 8.527 ( 1.861 -1.769 1.627) 3.040 8.571 ( -1.536 0.535 2.530) 3.008 8.664 ( -0.531 -1.984 -0.946) 2.261 8.748 ( 0.842 2.097 0.891) 2.428 8.785 ( 1.034 1.581 1.431) 2.369 8.844 ( 5.691 0.117 2.230) 6.113 8.937 ( -2.244 -4.322 -1.940) 5.242 9.149 ( 2.636 8.552 0.176) 8.951 9.248 ( -2.849 3.278 -1.782) 4.694 9.263 ( -1.622 2.572 0.808) 3.147 9.352 ( -1.813 -1.102 2.638) 3.385 9.381 ( 2.200 -0.744 -1.934) 3.023 9.435 ( 1.494 -4.005 2.988) 5.215 9.482 ( -3.128 1.759 -2.579) 4.420 9.538 ( -2.736 -2.059 1.468) 3.726 9.576 ( -3.552 0.532 -0.112) 3.593 9.615 ( -4.654 -1.565 1.333) 5.088 9.668 ( 0.845 0.941 4.596) 4.767 9.756 ( -2.878 -4.642 -2.522) 6.016 9.923 ( -5.456 6.584 -1.496) 8.681 10.130 ( -2.375 -2.115 -2.960) 4.344 10.204 ( -7.904 11.686 -5.819) 15.261 10.326 ( -6.575 -0.761 -6.648) 9.381 10.439 ( 2.243 -1.829 -3.468) 4.517 10.480 ( -6.154 6.619 5.440) 10.548 10.682 ( -1.078 -4.513 0.139) 4.643 10.870 ( 1.240 -3.930 -0.758) 4.190 10.949 ( 4.236 -4.284 1.481) 6.204 11.192 ( -1.896 -15.993 5.756) 17.102 11.531 ( -2.709 4.795 10.337) 11.713 11.638 ( -7.835 0.302 7.303) 10.715 12.137 ( -8.275 9.709 -10.018) 16.221 12.417 ( -6.553 -3.786 -9.284) 11.977 12.995 ( -0.617 1.453 1.275) 2.030 13.019 ( -0.149 0.520 0.671) 0.862 13.076 ( 0.098 0.470 1.157) 1.253 13.099 ( -0.733 -0.267 1.177) 1.412 ======================= Grid point 58 (29/84) ======================= q-point: ( 0.44 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.342 4.422 -5.728) 7.244 1.209 ( -6.664 -0.818 -2.056) 7.022 1.322 ( -2.610 1.790 -3.676) 4.850 1.536 ( 15.856 -6.923 -13.977) 22.241 1.741 ( -1.804 3.471 0.059) 3.912 1.869 ( -2.866 -0.229 -5.876) 6.542 1.940 ( -1.401 -2.423 -4.755) 5.518 2.017 ( 5.025 -4.517 -1.418) 6.904 2.046 ( 0.345 -0.675 -0.523) 0.921 2.092 ( 1.408 -2.507 -3.997) 4.924 2.263 ( -0.771 1.721 -5.016) 5.358 2.336 ( 2.811 0.235 0.519) 2.868 2.370 ( -2.019 -1.086 2.799) 3.618 2.389 ( -1.808 5.338 -1.506) 5.833 2.427 ( 2.547 3.292 5.173) 6.640 2.536 ( -5.218 3.475 0.780) 6.318 2.617 ( -0.254 3.390 2.488) 4.213 2.632 ( -1.432 -4.059 3.886) 5.799 2.659 ( 3.403 10.118 1.100) 10.732 2.735 ( -4.884 6.296 -3.824) 8.838 2.770 ( -4.588 -2.783 8.863) 10.361 2.855 ( -2.355 3.389 1.189) 4.294 3.017 ( 0.058 0.779 -1.035) 1.297 3.122 ( 0.053 -4.196 0.236) 4.203 3.192 ( 2.383 -4.499 1.630) 5.346 3.211 ( 0.121 -4.993 2.646) 5.652 3.396 ( -4.694 1.662 3.372) 6.014 3.464 ( 4.120 -4.587 0.197) 6.168 3.561 ( -0.774 2.653 1.888) 3.347 3.620 ( -0.636 0.918 -1.257) 1.682 3.642 ( -1.053 -2.076 1.574) 2.810 3.688 ( 4.917 2.295 -1.477) 5.624 3.899 ( 3.916 -1.665 1.672) 4.572 4.001 ( -5.337 -0.680 -5.149) 7.446 4.091 ( 2.172 -3.198 -1.074) 4.013 4.154 ( 3.121 -5.388 -0.729) 6.269 4.300 ( -1.847 -2.301 2.195) 3.678 4.414 ( -5.251 -3.796 2.933) 7.113 4.460 ( 0.855 2.522 2.335) 3.542 4.536 ( -0.736 -0.176 0.411) 0.861 4.574 ( 2.265 1.972 -0.438) 3.035 4.645 ( 0.707 -1.672 -0.641) 1.925 4.663 ( 0.040 1.202 -0.639) 1.362 4.713 ( 0.501 -0.637 -0.455) 0.929 4.778 ( -1.716 4.057 -0.607) 4.446 4.850 ( 2.466 3.021 -0.127) 3.902 4.929 ( 1.184 -1.314 -0.544) 1.850 5.000 ( 0.607 5.995 -3.325) 6.882 5.012 ( 0.680 -3.764 1.276) 4.033 5.182 ( 1.468 2.431 -1.516) 3.219 5.204 ( -0.076 -2.901 -4.270) 5.163 5.280 ( -0.737 -1.867 0.063) 2.008 5.315 ( 1.088 -1.030 -0.708) 1.657 5.351 ( 1.763 -2.067 0.325) 2.737 5.529 ( 1.219 6.111 -0.846) 6.289 5.669 ( 1.587 -0.534 1.270) 2.101 5.780 ( 2.544 -1.377 -0.338) 2.913 5.865 ( 0.770 -3.696 -5.489) 6.662 6.027 ( 1.075 2.226 -0.654) 2.557 6.044 ( 1.049 1.947 -0.831) 2.362 6.099 ( 1.127 2.646 0.203) 2.883 6.257 ( -0.635 -2.842 0.767) 3.012 6.496 ( -3.275 -0.304 6.676) 7.442 6.588 ( -1.614 -4.887 7.611) 9.187 6.800 ( -0.614 6.098 2.242) 6.526 6.957 ( 2.157 -0.613 2.199) 3.141 7.109 ( -1.132 -0.389 -4.266) 4.431 7.114 ( -0.020 -0.292 -0.533) 0.608 7.241 ( 1.341 0.152 0.701) 1.521 7.316 ( 2.641 -1.640 2.429) 3.945 7.375 ( 2.124 0.503 1.449) 2.620 7.416 ( -0.759 -0.097 2.538) 2.651 7.468 ( 3.562 0.767 3.512) 5.061 7.562 ( 1.697 -3.489 2.523) 4.628 7.725 ( 6.120 -0.068 -1.967) 6.428 7.811 ( 0.655 -3.247 -2.185) 3.968 7.867 ( 3.469 4.287 -1.325) 5.672 7.979 ( 1.187 0.730 -1.509) 2.054 8.035 ( 3.355 5.125 -0.951) 6.199 8.127 ( 4.850 -2.457 4.378) 6.981 8.172 ( 1.055 -2.504 0.940) 2.875 8.373 ( -0.850 -5.936 -1.100) 6.097 8.496 ( -0.336 1.456 0.165) 1.503 8.514 ( 1.720 3.708 1.287) 4.285 8.560 ( -0.483 -0.660 1.436) 1.653 8.728 ( 1.294 -1.400 -1.730) 2.574 8.757 ( 3.628 -1.628 -0.109) 3.978 8.813 ( 1.424 0.847 -1.532) 2.257 8.860 ( -3.266 -2.503 -3.554) 5.437 8.998 ( 4.381 -1.896 -3.364) 5.840 9.119 ( -5.802 6.718 -4.531) 9.967 9.198 ( -1.857 3.069 1.381) 3.844 9.237 ( -0.184 7.380 2.668) 7.849 9.338 ( 1.283 -1.090 2.640) 3.131 9.372 ( -7.478 0.258 -2.136) 7.782 9.416 ( -3.844 -2.298 3.155) 5.478 9.445 ( -0.255 0.274 -1.351) 1.402 9.499 ( 3.745 -3.654 -1.538) 5.453 9.532 ( 0.344 0.117 1.022) 1.085 9.571 ( 0.249 2.842 0.743) 2.948 9.680 ( 0.658 3.044 2.377) 3.918 9.748 ( 0.463 -0.271 -0.577) 0.788 9.889 ( 2.891 1.925 0.125) 3.476 10.019 ( -10.398 9.338 -3.279) 14.355 10.092 ( -1.245 -1.190 -3.276) 3.701 10.219 ( -2.884 0.682 -4.044) 5.014 10.376 ( -4.274 2.784 2.225) 5.565 10.505 ( 4.290 -1.379 -3.082) 5.460 10.685 ( 0.778 -5.287 0.987) 5.435 10.897 ( 1.016 -6.735 -0.122) 6.812 10.956 ( -4.830 -7.879 4.477) 10.269 11.175 ( 3.064 -14.068 1.783) 14.508 11.450 ( -5.056 5.584 8.967) 11.711 11.516 ( -5.997 2.685 5.722) 8.713 12.048 ( -0.376 10.975 -8.388) 13.818 12.371 ( 1.169 -4.789 -9.711) 10.890 12.988 ( -0.099 1.525 1.113) 1.890 13.020 ( 0.243 -0.076 1.069) 1.099 13.073 ( -0.417 0.651 0.438) 0.888 13.090 ( -0.315 -0.139 1.000) 1.057 ======================= Grid point 59 (30/84) ======================= q-point: (-0.44 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 7.488 0.825 -9.249) 11.929 1.182 ( 3.833 -1.988 -0.487) 4.346 1.311 ( 0.152 5.399 -0.116) 5.402 1.588 ( -11.242 -6.969 -12.616) 18.279 1.642 ( -2.353 2.788 -4.709) 5.957 1.761 ( -8.959 -1.819 -4.503) 10.190 2.010 ( 6.367 -1.775 -2.762) 7.163 2.064 ( 3.730 0.543 -2.308) 4.420 2.097 ( -1.271 -0.106 -5.272) 5.424 2.140 ( -4.210 -0.588 -1.287) 4.442 2.186 ( 1.809 -4.092 -0.699) 4.528 2.296 ( 3.507 -3.990 3.069) 6.136 2.381 ( -0.914 4.327 -0.385) 4.439 2.414 ( 0.236 2.827 0.451) 2.872 2.503 ( -10.390 2.203 -3.256) 11.109 2.511 ( 5.056 4.214 3.616) 7.509 2.558 ( 6.385 3.508 3.265) 7.983 2.585 ( -5.742 -0.339 3.775) 6.880 2.685 ( 4.678 4.295 2.493) 6.822 2.695 ( 2.070 3.936 3.310) 5.544 2.821 ( 10.934 6.107 0.524) 12.535 2.917 ( -0.555 6.449 2.455) 6.922 2.979 ( 1.501 -4.864 -1.777) 5.392 3.113 ( -3.866 -5.204 -0.993) 6.558 3.198 ( -0.699 -2.732 5.627) 6.294 3.234 ( 1.226 -3.499 1.272) 3.920 3.328 ( -0.605 1.466 -0.014) 1.586 3.471 ( -3.546 -0.586 2.793) 4.551 3.541 ( -0.287 0.348 -0.876) 0.985 3.608 ( 1.762 -2.234 1.480) 3.207 3.665 ( 1.504 -1.441 0.589) 2.165 3.750 ( -0.739 -3.352 -2.267) 4.114 3.916 ( -2.612 -2.280 4.040) 5.323 4.008 ( 3.607 -0.960 -3.389) 5.042 4.137 ( 2.240 -2.014 0.073) 3.013 4.156 ( -0.393 -2.088 0.942) 2.324 4.285 ( 0.051 -2.091 0.568) 2.168 4.376 ( 1.053 -1.474 0.161) 1.818 4.484 ( 1.193 2.648 2.152) 3.614 4.516 ( 0.091 -0.101 0.911) 0.921 4.592 ( -0.591 -0.081 -1.115) 1.264 4.621 ( -2.212 -3.379 -0.470) 4.066 4.673 ( 0.130 2.184 -2.486) 3.312 4.702 ( -1.405 0.653 0.535) 1.639 4.753 ( -0.946 4.779 -1.418) 5.074 4.861 ( -1.504 4.130 0.498) 4.424 4.936 ( -0.526 -0.901 0.400) 1.117 4.994 ( -1.351 2.499 -1.017) 3.017 5.018 ( 0.054 -2.022 0.108) 2.026 5.174 ( -1.661 -1.102 -3.648) 4.157 5.220 ( 1.373 -0.885 -2.786) 3.230 5.263 ( -1.078 -2.227 -0.378) 2.503 5.314 ( -0.982 -0.247 -0.309) 1.059 5.366 ( -0.164 -2.275 0.157) 2.286 5.539 ( -0.338 6.235 -0.962) 6.318 5.680 ( -0.523 -0.783 1.576) 1.836 5.813 ( 0.587 -1.217 1.453) 1.984 5.858 ( -1.316 -2.829 -5.472) 6.299 6.004 ( -3.217 2.287 -1.806) 4.341 6.034 ( -2.555 1.133 -1.683) 3.263 6.090 ( -1.723 2.864 0.192) 3.348 6.228 ( -2.300 -2.465 -0.219) 3.378 6.428 ( -3.562 0.428 5.171) 6.293 6.557 ( -1.709 -5.592 6.426) 8.688 6.784 ( -0.885 6.488 1.664) 6.757 6.988 ( 0.572 -1.923 2.539) 3.236 7.066 ( -2.597 0.129 -4.387) 5.100 7.100 ( -1.433 -0.767 0.054) 1.626 7.255 ( -0.274 0.528 1.451) 1.568 7.322 ( -2.190 0.139 2.011) 2.977 7.370 ( -1.785 0.330 0.896) 2.024 7.402 ( -0.735 0.012 1.315) 1.506 7.521 ( 0.376 -0.939 4.919) 5.022 7.552 ( -1.908 -4.069 0.624) 4.537 7.768 ( -3.770 -0.975 -0.400) 3.915 7.805 ( 0.241 -1.135 -0.876) 1.454 7.882 ( -2.066 4.551 -1.279) 5.159 7.990 ( 1.674 0.160 0.180) 1.691 8.056 ( -1.153 3.508 -0.730) 3.764 8.211 ( 3.128 -2.107 5.333) 6.531 8.229 ( 3.492 -1.598 6.600) 7.636 8.362 ( 0.060 -7.820 -2.650) 8.257 8.476 ( -2.594 1.055 -0.518) 2.848 8.541 ( 0.793 4.874 2.712) 5.633 8.546 ( -2.761 -0.221 -0.724) 2.863 8.714 ( -1.188 -1.602 -1.137) 2.296 8.767 ( -1.722 0.577 -2.478) 3.073 8.784 ( -0.588 2.430 -0.686) 2.593 8.902 ( -10.783 1.910 -7.294) 13.158 8.930 ( 6.519 -4.902 0.754) 8.191 9.042 ( -4.820 2.773 -5.215) 7.623 9.153 ( -0.751 -2.781 -3.835) 4.796 9.243 ( -1.177 2.022 3.074) 3.863 9.279 ( 2.370 5.771 2.510) 6.725 9.348 ( 0.554 -2.020 1.043) 2.339 9.429 ( 2.797 0.535 0.032) 2.848 9.470 ( 1.537 2.464 -1.417) 3.231 9.516 ( -1.009 1.004 2.319) 2.721 9.560 ( 2.461 0.494 -2.090) 3.266 9.647 ( 3.951 3.595 2.969) 6.112 9.695 ( 0.251 2.279 2.423) 3.336 9.759 ( 0.420 0.841 -1.575) 1.834 9.859 ( -1.692 6.042 -1.737) 6.510 10.003 ( 4.402 -1.947 -0.748) 4.871 10.108 ( 4.626 0.604 -2.814) 5.448 10.216 ( 2.612 -1.005 -2.480) 3.740 10.338 ( 0.811 1.900 -3.195) 3.805 10.575 ( 2.062 2.293 -0.516) 3.127 10.696 ( -0.294 -6.684 2.927) 7.302 10.839 ( -2.577 -10.809 2.651) 11.423 10.920 ( -0.717 -3.154 -0.999) 3.385 11.220 ( -2.654 -11.229 3.742) 12.130 11.390 ( -1.393 5.346 5.394) 7.721 11.446 ( 2.618 0.986 2.670) 3.867 12.110 ( 6.765 10.487 -5.342) 13.575 12.429 ( 4.547 -4.958 -7.093) 9.775 12.990 ( 0.179 1.540 1.190) 1.954 13.027 ( 0.303 -0.373 1.181) 1.275 13.063 ( -0.528 0.976 0.514) 1.223 13.085 ( -0.169 -0.055 0.591) 0.617 ======================= Grid point 60 (31/84) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -10.123 -0.343 -9.571) 13.935 1.262 ( -4.171 3.266 5.585) 7.698 1.324 ( 7.267 -3.535 -8.704) 11.877 1.463 ( 5.100 2.042 -6.271) 8.337 1.491 ( -12.675 -1.350 4.572) 13.542 1.727 ( 6.191 -2.983 -10.185) 12.287 1.935 ( -5.118 -1.760 -0.617) 5.447 2.007 ( -2.478 7.082 -5.601) 9.363 2.102 ( 0.468 -1.773 -0.593) 1.928 2.197 ( -4.803 1.268 2.890) 5.747 2.215 ( 2.551 -3.143 -3.022) 5.052 2.304 ( -8.233 7.227 -5.019) 12.050 2.305 ( -0.101 -1.801 1.684) 2.468 2.427 ( -2.845 2.222 -0.257) 3.619 2.484 ( 7.040 2.245 -4.150) 8.475 2.547 ( 7.458 0.565 0.957) 7.541 2.568 ( 1.081 1.625 3.748) 4.225 2.709 ( 2.161 5.908 3.528) 7.212 2.769 ( -3.854 4.343 -1.924) 6.117 2.786 ( 9.012 2.707 6.625) 11.508 2.850 ( 6.521 2.115 -0.167) 6.857 3.015 ( 5.763 1.398 5.027) 7.775 3.019 ( -3.332 -11.420 -3.485) 12.396 3.078 ( 4.511 -4.114 2.607) 6.639 3.190 ( -0.061 -4.859 4.887) 6.892 3.258 ( 1.384 -4.986 2.600) 5.791 3.331 ( 0.383 3.359 0.223) 3.389 3.405 ( -1.339 0.065 1.148) 1.765 3.530 ( -0.635 3.404 -0.972) 3.596 3.645 ( 0.900 0.207 -1.720) 1.952 3.702 ( 0.922 -3.844 -0.401) 3.973 3.763 ( 5.138 -1.113 -0.851) 5.326 3.853 ( -2.135 -5.205 7.132) 9.084 3.988 ( -3.956 -7.203 1.160) 8.300 4.161 ( -0.086 0.185 -1.657) 1.669 4.210 ( 3.639 -0.731 -0.832) 3.804 4.289 ( -0.630 2.002 -1.555) 2.611 4.381 ( -1.094 -0.555 -5.021) 5.169 4.485 ( -0.069 0.715 1.612) 1.765 4.551 ( -1.135 0.879 -0.424) 1.497 4.572 ( -0.931 0.575 2.236) 2.489 4.578 ( 0.326 -0.654 -1.624) 1.781 4.659 ( -1.664 1.516 -2.856) 3.637 4.671 ( -1.603 0.085 -0.671) 1.740 4.734 ( -1.616 3.401 -2.467) 4.501 4.807 ( -2.771 4.150 0.914) 5.073 4.892 ( -3.725 -0.634 2.163) 4.353 4.986 ( 0.869 3.468 0.532) 3.615 5.006 ( -1.358 -2.159 2.011) 3.248 5.138 ( -1.769 -0.228 -2.974) 3.468 5.233 ( -0.322 -2.336 -2.524) 3.454 5.239 ( -1.514 -1.633 -0.534) 2.290 5.290 ( -1.062 0.018 -0.511) 1.179 5.347 ( -1.638 -2.116 -0.046) 2.676 5.514 ( -2.112 6.292 -1.048) 6.720 5.652 ( -2.286 -0.615 1.134) 2.625 5.773 ( -4.835 -1.354 1.733) 5.312 5.827 ( -1.975 -2.962 -5.007) 6.143 5.910 ( -6.119 2.182 -2.844) 7.092 5.945 ( -5.986 0.674 -2.618) 6.568 6.052 ( -2.057 3.215 0.628) 3.868 6.179 ( -2.392 -2.446 -0.544) 3.464 6.373 ( -1.993 0.985 4.099) 4.663 6.525 ( -1.809 -5.845 5.751) 8.397 6.771 ( -0.587 5.932 1.392) 6.121 6.972 ( -1.894 -2.807 -0.685) 3.454 7.020 ( -2.183 1.429 -1.225) 2.882 7.068 ( -1.751 -1.483 1.109) 2.549 7.223 ( -2.908 0.883 -0.020) 3.039 7.252 ( -4.431 1.728 2.429) 5.341 7.337 ( -1.386 1.082 0.053) 1.759 7.385 ( -1.165 -0.257 0.605) 1.338 7.446 ( -6.094 -1.264 2.228) 6.611 7.528 ( -1.952 -5.200 0.757) 5.605 7.673 ( -5.275 2.561 2.278) 6.291 7.753 ( -4.880 0.370 0.410) 4.911 7.819 ( -4.585 3.334 0.222) 5.674 7.995 ( -2.367 -5.275 2.843) 6.442 8.013 ( -3.482 0.850 -1.070) 3.740 8.201 ( -5.235 -1.909 1.569) 5.788 8.273 ( 0.265 -0.295 6.879) 6.891 8.353 ( -3.756 -6.536 -5.472) 9.315 8.388 ( -1.617 2.274 -3.513) 4.486 8.480 ( -3.374 -0.296 -1.030) 3.540 8.563 ( 0.499 2.318 2.074) 3.150 8.643 ( -4.453 -0.273 -1.691) 4.771 8.723 ( -3.316 2.474 -1.012) 4.259 8.779 ( 2.262 -0.405 3.035) 3.807 8.844 ( 4.218 2.872 3.351) 6.105 8.958 ( -2.639 5.803 -4.372) 7.730 9.042 ( 4.091 -4.464 1.508) 6.240 9.131 ( -1.136 -4.487 -5.805) 7.424 9.280 ( 3.277 3.338 1.493) 4.910 9.332 ( 1.916 2.826 0.062) 3.415 9.415 ( -1.386 -0.043 1.188) 1.826 9.417 ( 4.995 -1.164 1.090) 5.244 9.500 ( 0.419 1.171 -1.054) 1.631 9.516 ( -0.710 4.914 -0.053) 4.965 9.577 ( 1.320 -0.696 2.028) 2.518 9.678 ( 1.498 0.462 0.435) 1.627 9.690 ( -0.587 -0.354 2.626) 2.714 9.775 ( 1.965 -2.029 -3.467) 4.472 9.952 ( 7.147 5.857 0.814) 9.276 10.043 ( 1.309 -2.303 -5.094) 5.741 10.230 ( 6.611 6.180 -4.675) 10.186 10.296 ( 4.031 -4.557 0.276) 6.090 10.401 ( 3.935 0.102 -9.054) 9.873 10.585 ( 0.311 5.798 3.179) 6.620 10.706 ( 3.457 -0.852 5.563) 6.604 10.842 ( -0.837 -8.995 -4.266) 9.991 10.886 ( -1.503 -4.134 0.258) 4.407 11.094 ( -8.424 -5.902 4.135) 11.086 11.381 ( 1.545 6.888 1.938) 7.321 11.620 ( 12.205 -6.349 5.871) 14.958 12.299 ( 12.596 7.191 -3.089) 14.829 12.533 ( 6.522 -3.725 -4.565) 8.789 12.994 ( 0.240 1.374 1.325) 1.923 13.025 ( -0.535 -0.179 0.317) 0.647 13.060 ( 0.362 1.355 1.701) 2.205 13.088 ( 0.540 -0.013 0.506) 0.741 ======================= Grid point 61 (32/84) ======================= q-point: (-0.22 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -17.488 8.951 -7.203) 20.925 1.104 ( -19.906 8.636 5.187) 22.310 1.283 ( 4.199 -3.119 4.598) 6.964 1.447 ( 0.710 -12.686 -7.948) 14.986 1.656 ( 0.856 -3.033 -1.535) 3.505 1.749 ( 1.608 -3.731 4.262) 5.888 1.863 ( -3.151 11.982 1.657) 12.500 2.027 ( -3.936 8.540 -5.227) 10.758 2.098 ( 7.546 1.266 -9.306) 12.048 2.182 ( 1.372 -1.774 1.346) 2.616 2.199 ( 2.097 6.585 -2.349) 7.299 2.227 ( 0.615 1.616 -3.491) 3.895 2.349 ( 2.242 -4.598 -3.661) 6.290 2.410 ( 1.673 2.840 0.699) 3.370 2.517 ( -6.842 4.786 0.210) 8.352 2.555 ( 3.387 6.152 1.298) 7.142 2.609 ( -1.649 -0.886 -3.614) 4.070 2.650 ( 0.919 -0.372 -0.662) 1.192 2.796 ( -0.010 -2.266 0.553) 2.333 2.924 ( -4.954 -11.459 -1.827) 12.617 2.973 ( 4.069 -4.454 -2.411) 6.497 3.024 ( 9.080 -2.560 4.787) 10.579 3.088 ( 4.262 -1.104 3.744) 5.779 3.149 ( 3.555 -2.248 4.294) 6.011 3.189 ( -0.244 -3.862 4.620) 6.027 3.287 ( -1.196 -6.201 2.894) 6.946 3.337 ( 1.886 2.703 3.633) 4.906 3.416 ( 1.312 -1.341 -2.588) 3.197 3.513 ( 0.841 7.045 0.188) 7.097 3.682 ( 0.225 3.638 -4.183) 5.548 3.748 ( 5.444 -1.260 0.302) 5.596 3.843 ( 1.104 -4.281 6.174) 7.594 3.910 ( -1.926 -5.802 -1.828) 6.380 3.914 ( 6.070 -5.506 5.030) 9.615 4.103 ( -5.722 2.399 -5.457) 8.263 4.196 ( -2.885 1.528 -1.364) 3.538 4.292 ( -1.093 2.066 -1.967) 3.055 4.393 ( 3.634 -0.952 -2.406) 4.462 4.464 ( -2.839 -1.238 1.362) 3.383 4.475 ( -3.740 -3.842 -2.028) 5.733 4.555 ( -2.908 2.582 -0.386) 3.908 4.601 ( -0.879 0.582 -1.881) 2.156 4.620 ( -0.922 3.029 -4.076) 5.161 4.625 ( -0.452 2.992 0.057) 3.026 4.680 ( -3.631 2.941 -0.072) 4.674 4.775 ( -1.047 -1.092 0.154) 1.521 4.843 ( -1.423 2.796 1.056) 3.310 4.970 ( -2.215 -1.545 3.771) 4.638 5.016 ( 1.992 2.648 0.698) 3.387 5.107 ( -1.439 1.601 -1.278) 2.504 5.194 ( -3.230 -1.140 -0.390) 3.448 5.215 ( -1.277 -1.676 -1.647) 2.675 5.270 ( -1.512 -0.361 -0.929) 1.811 5.311 ( -1.893 -2.180 -0.524) 2.934 5.466 ( -2.628 6.250 -1.255) 6.896 5.600 ( -3.153 0.049 0.650) 3.220 5.656 ( -6.266 -1.294 0.459) 6.415 5.765 ( -4.258 -3.235 -3.791) 6.555 5.786 ( -6.139 2.769 -2.978) 7.363 5.833 ( -4.956 0.221 -4.194) 6.496 6.015 ( -1.622 3.427 0.950) 3.909 6.146 ( -0.877 -2.645 0.706) 2.875 6.359 ( 0.431 0.514 4.007) 4.063 6.498 ( -0.660 -5.255 4.614) 7.025 6.750 ( -2.052 5.088 1.097) 5.595 6.925 ( -3.077 -2.053 -0.812) 3.787 6.999 ( 0.816 1.486 -0.920) 1.929 7.039 ( -0.816 -1.382 1.525) 2.214 7.150 ( -3.901 0.801 -0.432) 4.006 7.189 ( -2.197 1.833 1.148) 3.083 7.303 ( -3.283 1.616 -0.825) 3.751 7.338 ( -3.636 -0.097 0.765) 3.717 7.359 ( -1.692 -0.151 0.196) 1.710 7.466 ( -4.359 -3.194 -0.421) 5.420 7.575 ( -5.304 1.898 2.334) 6.098 7.640 ( -6.222 0.833 4.255) 7.584 7.709 ( -6.460 1.680 1.306) 6.802 7.884 ( -8.652 0.239 -2.907) 9.131 7.929 ( -4.682 -7.860 1.856) 9.335 8.061 ( -7.661 -3.281 -3.290) 8.959 8.215 ( -5.550 -1.799 1.756) 6.093 8.272 ( -3.188 -2.014 -0.798) 3.854 8.387 ( -3.757 1.122 -7.759) 8.694 8.424 ( 2.491 -1.766 0.763) 3.147 8.576 ( 1.170 3.637 2.750) 4.708 8.622 ( 1.259 2.703 3.220) 4.389 8.735 ( 2.298 0.279 3.944) 4.573 8.823 ( 1.389 -2.922 3.782) 4.977 8.911 ( 2.611 2.180 1.421) 3.687 8.944 ( 0.822 4.136 -0.938) 4.320 9.076 ( 0.419 -1.381 0.663) 1.588 9.127 ( 0.445 -4.421 -3.762) 5.822 9.300 ( -1.756 2.359 -0.821) 3.053 9.371 ( -2.037 -1.285 2.551) 3.509 9.386 ( 3.757 2.594 -0.430) 4.585 9.459 ( -0.710 4.116 -0.808) 4.254 9.529 ( 1.631 0.694 2.619) 3.163 9.559 ( 5.402 -2.218 2.015) 6.178 9.610 ( 1.573 -0.761 3.380) 3.805 9.660 ( -1.388 -0.783 1.548) 2.222 9.740 ( 3.871 -0.195 0.921) 3.983 9.825 ( 2.856 -5.319 -5.997) 8.509 10.046 ( 2.148 0.014 -4.517) 5.002 10.082 ( 3.356 -0.073 -2.500) 4.185 10.330 ( 1.609 -1.403 -5.978) 6.348 10.362 ( 4.707 10.586 -2.366) 11.824 10.453 ( 2.862 -1.887 -3.030) 4.575 10.593 ( -0.662 8.650 4.353) 9.707 10.768 ( -4.238 -0.364 -9.489) 10.399 10.809 ( 1.672 0.347 -1.779) 2.466 10.845 ( -3.354 -4.817 1.177) 5.986 10.977 ( -0.766 -6.348 6.229) 8.927 11.455 ( 5.580 7.152 2.355) 9.372 11.860 ( 11.593 -11.563 7.856) 18.161 12.555 ( 12.403 5.084 -3.734) 13.915 12.691 ( 10.540 -1.671 -0.175) 10.673 13.001 ( 0.517 1.214 1.608) 2.080 13.015 ( -0.225 0.489 0.500) 0.735 13.077 ( 1.410 2.126 2.059) 3.279 13.111 ( 2.207 0.438 0.649) 2.342 ======================= Grid point 62 (33/84) ======================= q-point: (-0.11 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -7.957 19.388 2.494) 21.106 0.770 ( -12.200 14.187 12.406) 22.450 1.333 ( -7.393 -10.425 1.048) 12.823 1.370 ( -6.837 6.557 8.742) 12.891 1.455 ( -5.965 -3.991 7.845) 10.633 1.807 ( 7.857 0.323 -5.246) 9.453 1.968 ( 1.738 2.525 -4.838) 5.727 2.034 ( 2.198 4.472 -5.691) 7.564 2.061 ( -1.735 5.556 -0.636) 5.856 2.183 ( 0.690 7.488 -3.443) 8.270 2.279 ( 2.026 -0.208 -5.540) 5.903 2.329 ( -0.909 -7.273 -0.687) 7.361 2.393 ( 4.297 1.858 -8.722) 9.899 2.460 ( 7.341 0.731 -1.679) 7.566 2.499 ( 3.550 -0.701 -3.006) 4.704 2.567 ( -1.580 0.765 -1.931) 2.610 2.633 ( 1.990 2.993 2.355) 4.297 2.680 ( 2.110 -1.945 0.098) 2.871 2.742 ( -1.511 -8.320 2.628) 8.855 2.839 ( -3.204 -10.646 -2.006) 11.297 3.001 ( -4.041 -1.784 2.590) 5.121 3.052 ( -0.556 -1.876 2.596) 3.251 3.143 ( -1.729 -5.296 1.112) 5.681 3.201 ( -2.355 -3.887 2.501) 5.188 3.216 ( 2.043 2.823 1.580) 3.826 3.246 ( 3.471 -3.229 0.848) 4.816 3.361 ( -1.800 3.569 0.964) 4.112 3.478 ( 3.336 -1.300 -3.256) 4.839 3.593 ( 5.471 3.009 -0.300) 6.252 3.647 ( -0.982 2.293 -3.735) 4.492 3.778 ( -6.008 -4.864 0.764) 7.768 3.802 ( -1.138 -5.943 0.720) 6.094 3.925 ( -0.742 -0.438 -0.370) 0.938 3.947 ( -0.070 -0.572 3.652) 3.697 4.103 ( 5.984 2.150 -0.514) 6.379 4.161 ( 0.028 2.818 3.150) 4.227 4.252 ( -2.593 2.261 -4.538) 5.695 4.369 ( -4.232 -2.927 -1.112) 5.264 4.418 ( -2.673 1.375 -0.716) 3.090 4.455 ( -5.298 1.292 -2.616) 6.048 4.493 ( 3.028 -0.565 2.663) 4.072 4.568 ( 0.094 -1.651 -0.239) 1.671 4.609 ( -1.745 1.824 -0.737) 2.630 4.642 ( 0.570 0.968 0.502) 1.231 4.668 ( 3.109 1.488 -2.128) 4.051 4.762 ( -1.495 1.353 -1.120) 2.307 4.804 ( -2.269 0.201 -1.399) 2.673 4.932 ( -1.967 -1.592 1.660) 3.026 5.057 ( 2.009 2.099 0.460) 2.942 5.087 ( -0.310 1.886 0.544) 1.987 5.118 ( -3.672 1.174 0.431) 3.880 5.180 ( -2.226 -0.540 -2.354) 3.284 5.238 ( -0.955 -0.431 0.415) 1.126 5.282 ( -1.200 -1.858 -0.129) 2.215 5.420 ( -1.923 6.619 -1.878) 7.144 5.522 ( -3.936 1.324 0.331) 4.166 5.583 ( -1.942 -1.326 -0.639) 2.437 5.689 ( -3.076 2.881 -4.219) 5.963 5.694 ( -2.380 -0.998 -2.599) 3.663 5.762 ( -2.286 -2.240 -6.351) 7.112 5.998 ( -0.033 4.799 0.911) 4.884 6.148 ( 0.970 -2.541 2.002) 3.377 6.382 ( 1.515 0.283 5.861) 6.060 6.522 ( 3.130 -5.030 3.735) 7.004 6.697 ( -2.438 4.769 -0.007) 5.356 6.864 ( -2.816 -2.421 -1.975) 4.206 7.038 ( 1.591 0.984 -0.767) 2.021 7.056 ( 2.881 0.744 1.519) 3.340 7.100 ( -1.096 1.091 0.588) 1.654 7.157 ( -1.318 2.132 -1.172) 2.767 7.222 ( -3.621 -1.336 -0.952) 3.975 7.293 ( -3.202 0.016 -2.642) 4.151 7.312 ( -2.709 0.138 -0.041) 2.713 7.382 ( -3.513 -0.643 0.612) 3.623 7.450 ( -7.310 2.323 0.054) 7.670 7.549 ( -3.340 -0.407 6.126) 6.989 7.592 ( -5.156 -0.610 1.683) 5.458 7.722 ( -8.510 -3.930 -1.671) 9.521 7.804 ( -7.306 -4.518 1.408) 8.705 7.954 ( -3.068 -3.273 -4.322) 6.229 8.106 ( -5.532 -1.026 -0.617) 5.660 8.204 ( -3.237 -4.911 -1.889) 6.178 8.353 ( 0.497 6.003 -3.584) 7.009 8.483 ( 2.905 -2.238 1.766) 4.070 8.602 ( 1.185 4.630 2.756) 5.517 8.646 ( 0.835 3.915 4.788) 6.241 8.776 ( 1.576 -2.796 4.712) 5.701 8.832 ( -0.247 -3.226 2.877) 4.330 8.949 ( 1.225 2.505 -0.930) 2.939 8.967 ( 1.247 0.364 2.040) 2.419 9.078 ( -0.245 -2.452 1.752) 3.023 9.141 ( 1.134 -4.249 -2.876) 5.255 9.266 ( -1.152 1.415 -0.294) 1.848 9.313 ( -3.769 -2.026 1.045) 4.404 9.436 ( 1.382 1.428 1.246) 2.345 9.462 ( 0.714 2.877 0.522) 3.010 9.565 ( 1.712 1.180 3.726) 4.266 9.616 ( -0.807 -0.578 -0.559) 1.139 9.642 ( 2.683 -1.763 4.015) 5.140 9.669 ( 2.160 0.251 6.142) 6.516 9.802 ( 1.636 -1.194 -1.562) 2.558 9.883 ( 3.884 -6.636 -5.861) 9.668 10.089 ( 3.221 -2.920 -3.767) 5.753 10.137 ( 2.339 -2.865 -3.628) 5.180 10.345 ( 1.199 5.158 -2.967) 6.070 10.425 ( 0.663 8.329 -5.947) 10.256 10.503 ( -2.552 0.326 0.103) 2.574 10.532 ( 0.326 4.505 -4.491) 6.370 10.695 ( -1.655 2.323 -0.347) 2.873 10.746 ( -5.465 -0.149 2.275) 5.921 10.826 ( 1.237 3.676 -1.690) 4.231 11.038 ( 3.293 -4.624 -5.358) 7.806 11.565 ( 4.903 5.336 7.511) 10.437 12.032 ( 5.432 -15.008 7.174) 17.499 12.726 ( 5.220 7.346 -4.943) 10.278 12.883 ( 6.053 -3.759 0.596) 7.150 13.012 ( 0.277 1.130 1.585) 1.966 13.025 ( 0.949 0.227 3.178) 3.325 13.129 ( 3.849 4.036 0.422) 5.593 13.221 ( 11.091 2.348 0.884) 11.371 ======================= Grid point 63 (34/84) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 1.037 -20.584 2.089) 20.715 0.895 ( 1.037 20.584 2.089) 20.715 1.094 ( -0.695 -20.796 10.443) 23.281 1.094 ( -0.695 20.796 10.443) 23.281 1.810 ( 0.876 -29.584 5.064) 30.027 1.810 ( 0.876 29.584 5.064) 30.027 1.985 ( 2.496 -5.167 -6.423) 8.613 1.985 ( 2.496 5.167 -6.423) 8.613 2.142 ( 0.583 -5.489 -3.804) 6.704 2.142 ( 0.583 5.489 -3.804) 6.704 2.348 ( -1.993 -3.050 -3.923) 5.354 2.348 ( -1.993 3.050 -3.923) 5.354 2.431 ( -0.244 -5.201 -1.551) 5.433 2.431 ( -0.244 5.201 -1.551) 5.433 2.532 ( -0.938 -6.727 -2.656) 7.293 2.532 ( -0.938 6.727 -2.656) 7.293 2.597 ( 0.103 -1.722 2.253) 2.837 2.597 ( 0.103 1.722 2.253) 2.837 2.772 ( 0.109 -3.897 -1.646) 4.232 2.772 ( 0.109 3.897 -1.646) 4.232 2.991 ( 3.046 -0.880 4.396) 5.420 2.991 ( 3.046 0.880 4.396) 5.420 3.083 ( -2.577 -1.943 0.903) 3.352 3.083 ( -2.577 1.943 0.903) 3.352 3.302 ( -0.916 -3.551 -0.767) 3.747 3.302 ( -0.916 3.551 -0.767) 3.747 3.407 ( -0.520 -4.368 -2.136) 4.890 3.407 ( -0.520 4.368 -2.136) 4.890 3.569 ( -5.352 -1.051 -5.188) 7.527 3.569 ( -5.352 1.051 -5.188) 7.527 3.742 ( 1.543 -1.158 1.307) 2.330 3.742 ( 1.543 1.158 1.307) 2.330 3.945 ( 1.666 -3.668 2.796) 4.904 3.945 ( 1.666 3.668 2.796) 4.904 4.214 ( 0.541 -0.815 -0.584) 1.139 4.214 ( 0.541 0.815 -0.584) 1.139 4.275 ( 0.274 -2.409 -2.506) 3.487 4.275 ( 0.274 2.409 -2.506) 3.487 4.410 ( 2.168 -2.111 0.261) 3.037 4.410 ( 2.168 2.111 0.261) 3.037 4.520 ( -2.247 -1.827 2.083) 3.567 4.520 ( -2.247 1.827 2.083) 3.567 4.632 ( 0.518 -2.230 0.713) 2.398 4.632 ( 0.518 2.230 0.713) 2.398 4.718 ( 0.031 -0.792 1.515) 1.710 4.718 ( 0.031 0.792 1.515) 1.710 4.845 ( 1.601 -4.978 -2.436) 5.768 4.845 ( 1.601 4.978 -2.436) 5.768 5.103 ( -1.011 -2.628 3.770) 4.705 5.103 ( -1.011 2.628 3.770) 4.705 5.147 ( 1.264 -1.418 -1.735) 2.573 5.147 ( 1.264 1.418 -1.735) 2.573 5.231 ( -1.086 -1.467 -1.240) 2.207 5.231 ( -1.086 1.467 -1.240) 2.207 5.504 ( -0.860 -1.732 -1.907) 2.716 5.504 ( -0.860 1.732 -1.907) 2.716 5.572 ( -0.089 -7.261 -3.763) 8.178 5.572 ( -0.089 7.261 -3.763) 8.178 5.706 ( 0.491 -2.031 -4.454) 4.920 5.706 ( 0.491 2.031 -4.454) 4.920 6.106 ( 0.570 -4.302 1.270) 4.521 6.106 ( 0.570 4.302 1.270) 4.521 6.482 ( 2.309 -4.303 6.657) 8.256 6.482 ( 2.309 4.303 6.657) 8.256 6.768 ( 0.651 -4.076 -3.239) 5.247 6.768 ( 0.651 4.076 -3.239) 5.247 7.041 ( -3.489 -1.450 -2.576) 4.573 7.041 ( -3.489 1.450 -2.576) 4.573 7.127 ( -0.832 -2.438 -0.422) 2.610 7.127 ( -0.832 2.438 -0.422) 2.610 7.221 ( 3.338 -1.807 -2.531) 4.562 7.221 ( 3.338 1.807 -2.531) 4.562 7.318 ( 0.185 -2.022 -0.019) 2.031 7.318 ( 0.185 2.022 -0.019) 2.031 7.441 ( -1.797 -3.738 5.576) 6.949 7.441 ( -1.797 3.738 5.576) 6.949 7.522 ( -1.803 -1.515 2.760) 3.628 7.522 ( -1.803 1.515 2.760) 3.628 7.831 ( -0.038 -6.281 -2.395) 6.723 7.831 ( -0.038 6.281 -2.395) 6.723 8.065 ( -1.171 -4.221 0.300) 4.391 8.065 ( -1.171 4.221 0.300) 4.391 8.477 ( 1.631 -3.272 -0.972) 3.783 8.477 ( 1.631 3.272 -0.972) 3.783 8.705 ( 0.409 -2.053 4.429) 4.899 8.705 ( 0.409 2.053 4.429) 4.899 8.756 ( -0.407 -3.410 3.763) 5.094 8.756 ( -0.407 3.410 3.763) 5.094 8.966 ( -1.208 -2.908 0.683) 3.222 8.966 ( -1.208 2.908 0.683) 3.222 9.080 ( 1.582 -3.890 -0.760) 4.268 9.080 ( 1.582 3.890 -0.760) 4.268 9.261 ( -0.464 -0.708 1.407) 1.642 9.261 ( -0.464 0.708 1.407) 1.642 9.471 ( -0.719 -0.652 -0.767) 1.237 9.471 ( -0.719 0.652 -0.767) 1.237 9.587 ( -1.071 -0.634 0.757) 1.457 9.587 ( -1.071 0.634 0.757) 1.457 9.696 ( 0.778 -1.466 6.451) 6.661 9.696 ( 0.778 1.466 6.451) 6.661 9.821 ( 0.501 -4.418 -3.868) 5.893 9.821 ( 0.501 4.418 -3.868) 5.893 10.124 ( 2.523 -1.399 -2.273) 3.673 10.124 ( 2.523 1.399 -2.273) 3.673 10.413 ( -2.580 -0.833 -3.775) 4.648 10.413 ( -2.580 0.833 -3.775) 4.648 10.532 ( 0.939 -2.478 -5.144) 5.787 10.532 ( 0.939 2.478 -5.144) 5.787 10.741 ( 2.921 -3.132 3.034) 5.249 10.741 ( 2.921 3.132 3.034) 5.249 10.972 ( -0.241 -5.276 -5.977) 7.977 10.972 ( -0.241 5.276 -5.977) 7.977 11.799 ( -0.161 -12.768 8.238) 15.196 11.799 ( -0.161 12.768 8.238) 15.196 12.856 ( -1.163 -3.657 -1.667) 4.184 12.856 ( -1.163 3.657 -1.667) 4.184 13.030 ( 0.034 -0.527 2.468) 2.524 13.030 ( 0.034 0.527 2.468) 2.524 13.303 ( -0.191 -6.364 -2.134) 6.715 13.303 ( -0.191 6.364 -2.134) 6.715 ======================= Grid point 65 (35/84) ======================= q-point: ( 0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 2.283 -19.894 3.206) 20.280 0.973 ( 2.283 19.894 3.206) 20.280 1.109 ( 7.905 -16.495 6.572) 19.436 1.109 ( 7.905 16.495 6.572) 19.436 1.888 ( 2.461 -12.858 -4.383) 13.805 1.888 ( 2.461 12.858 -4.383) 13.805 2.019 ( -0.897 -11.055 5.838) 12.534 2.019 ( -0.897 11.055 5.838) 12.534 2.184 ( 3.842 -5.376 -1.407) 6.756 2.184 ( 3.842 5.376 -1.407) 6.756 2.262 ( -2.500 -2.854 -9.336) 10.078 2.262 ( -2.500 2.854 -9.336) 10.078 2.386 ( -2.501 -4.706 -6.931) 8.743 2.386 ( -2.501 4.706 -6.931) 8.743 2.510 ( -1.750 -10.074 2.662) 10.566 2.510 ( -1.750 10.074 2.662) 10.566 2.615 ( 2.676 -3.062 4.242) 5.876 2.615 ( 2.676 3.062 4.242) 5.876 2.746 ( -3.415 -4.440 -1.079) 5.704 2.746 ( -3.415 4.440 -1.079) 5.704 2.988 ( -2.826 -4.665 -0.851) 5.520 2.988 ( -2.826 4.665 -0.851) 5.520 3.094 ( 1.044 -7.469 1.449) 7.679 3.094 ( 1.044 7.469 1.449) 7.679 3.256 ( -2.691 -3.992 1.714) 5.110 3.256 ( -2.691 3.992 1.714) 5.110 3.402 ( -0.332 -4.446 -2.562) 5.142 3.402 ( -0.332 4.446 -2.562) 5.142 3.507 ( -0.320 -5.897 -1.212) 6.029 3.507 ( -0.320 5.897 -1.212) 6.029 3.745 ( -1.207 -1.181 0.547) 1.775 3.745 ( -1.207 1.181 0.547) 1.775 3.973 ( 0.497 -2.933 0.152) 2.979 3.973 ( 0.497 2.933 0.152) 2.979 4.207 ( -0.383 -1.799 -0.043) 1.840 4.207 ( -0.383 1.799 -0.043) 1.840 4.323 ( 4.600 -3.652 -3.050) 6.618 4.323 ( 4.600 3.652 -3.050) 6.618 4.437 ( -2.648 -2.840 3.542) 5.256 4.437 ( -2.648 2.840 3.542) 5.256 4.508 ( 3.299 -2.302 -0.925) 4.128 4.508 ( 3.299 2.302 -0.925) 4.128 4.646 ( 0.855 -3.089 -0.958) 3.345 4.646 ( 0.855 3.089 -0.958) 3.345 4.757 ( 3.345 -1.526 1.821) 4.103 4.757 ( 3.345 1.526 1.821) 4.103 4.894 ( 1.643 -5.228 -1.568) 5.700 4.894 ( 1.643 5.228 -1.568) 5.700 5.062 ( -2.580 -1.923 2.388) 4.007 5.062 ( -2.580 1.923 2.388) 4.007 5.174 ( 1.291 -2.565 -0.635) 2.941 5.174 ( 1.291 2.565 -0.635) 2.941 5.215 ( 0.491 -2.622 -1.555) 3.088 5.215 ( 0.491 2.622 -1.555) 3.088 5.514 ( 1.553 -1.481 -1.775) 2.785 5.514 ( 1.553 1.481 -1.775) 2.785 5.587 ( 2.110 -6.806 -3.783) 8.068 5.587 ( 2.110 6.806 -3.783) 8.068 5.752 ( 4.387 -1.019 -2.807) 5.307 5.752 ( 4.387 1.019 -2.807) 5.307 6.109 ( 0.196 -5.305 1.550) 5.531 6.109 ( 0.196 5.305 1.550) 5.531 6.518 ( 1.612 -2.504 8.090) 8.621 6.518 ( 1.612 2.504 8.090) 8.621 6.797 ( 1.981 -3.065 -1.931) 4.129 6.797 ( 1.981 3.065 -1.931) 4.129 7.015 ( 1.016 -2.149 -3.584) 4.301 7.015 ( 1.016 2.149 -3.584) 4.301 7.146 ( 2.379 -1.674 -1.259) 3.169 7.146 ( 2.379 1.674 -1.259) 3.169 7.272 ( 2.035 -1.070 -0.827) 2.443 7.272 ( 2.035 1.070 -0.827) 2.443 7.343 ( 1.110 -3.214 1.918) 3.905 7.343 ( 1.110 3.214 1.918) 3.905 7.451 ( 2.900 -1.202 4.324) 5.343 7.451 ( 2.900 1.202 4.324) 5.343 7.562 ( 5.943 -1.420 -1.608) 6.319 7.562 ( 5.943 1.420 -1.608) 6.319 7.848 ( 1.917 -5.204 -1.612) 5.776 7.848 ( 1.917 5.204 -1.612) 5.776 8.086 ( 3.133 -5.754 1.192) 6.659 8.086 ( 3.133 5.754 1.192) 6.659 8.489 ( -0.221 -2.014 -3.117) 3.718 8.489 ( -0.221 2.014 -3.117) 3.718 8.707 ( -0.173 -3.264 5.018) 5.989 8.707 ( -0.173 3.264 5.018) 5.989 8.747 ( -0.793 -3.912 3.380) 5.231 8.747 ( -0.793 3.912 3.380) 5.231 8.934 ( -2.167 -4.403 -0.594) 4.943 8.934 ( -2.167 4.403 -0.594) 4.943 9.123 ( 2.866 -3.873 0.490) 4.843 9.123 ( 2.866 3.873 0.490) 4.843 9.268 ( 1.101 -0.853 0.372) 1.441 9.268 ( 1.101 0.853 0.372) 1.441 9.462 ( -0.469 -1.718 -0.641) 1.893 9.462 ( -0.469 1.718 -0.641) 1.893 9.554 ( -2.048 -0.367 0.973) 2.297 9.554 ( -2.048 0.367 0.973) 2.297 9.689 ( -1.178 -0.961 5.492) 5.698 9.689 ( -1.178 0.961 5.492) 5.698 9.804 ( -2.264 -5.049 -3.506) 6.551 9.804 ( -2.264 5.049 -3.506) 6.551 10.147 ( -0.457 -2.005 -0.918) 2.252 10.147 ( -0.457 2.005 -0.918) 2.252 10.378 ( -0.775 -1.392 -3.886) 4.200 10.378 ( -0.775 1.392 -3.886) 4.200 10.563 ( 1.738 -4.935 -5.758) 7.780 10.563 ( 1.738 4.935 -5.758) 7.780 10.827 ( 4.407 -5.847 3.601) 8.159 10.827 ( 4.407 5.847 3.601) 8.159 10.930 ( -3.184 -1.496 -3.921) 5.268 10.930 ( -3.184 1.496 -3.921) 5.268 11.753 ( -4.182 -10.274 7.658) 13.479 11.753 ( -4.182 10.274 7.658) 13.479 12.764 ( -8.930 -5.607 -2.784) 10.906 12.764 ( -8.930 5.607 -2.784) 10.906 13.033 ( 0.142 -0.765 1.863) 2.019 13.033 ( 0.142 0.765 1.863) 2.019 13.204 ( -7.273 -3.025 -0.287) 7.882 13.204 ( -7.273 3.025 -0.287) 7.882 ======================= Grid point 67 (36/84) ======================= q-point: ( 0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 4.749 -13.555 0.364) 14.367 1.017 ( 4.749 13.555 0.364) 14.367 1.374 ( 15.548 -11.939 1.537) 19.663 1.374 ( 15.548 11.939 1.537) 19.663 1.753 ( -14.692 -2.673 1.562) 15.015 1.753 ( -14.692 2.673 1.562) 15.015 1.943 ( -1.575 -8.656 -5.794) 10.534 1.943 ( -1.575 8.656 -5.794) 10.534 2.221 ( -1.941 -5.844 -9.105) 10.992 2.221 ( -1.941 5.844 -9.105) 10.992 2.313 ( -0.410 -4.881 0.469) 4.921 2.313 ( -0.410 4.881 0.469) 4.921 2.446 ( 7.100 -5.205 -5.250) 10.250 2.446 ( 7.100 5.205 -5.250) 10.250 2.480 ( -0.109 -11.494 0.571) 11.509 2.480 ( -0.109 11.494 0.571) 11.509 2.646 ( 2.090 -9.042 6.041) 11.073 2.646 ( 2.090 9.042 6.041) 11.073 2.712 ( 2.309 -4.120 0.811) 4.792 2.712 ( 2.309 4.120 0.811) 4.792 2.915 ( -4.385 -5.667 -0.932) 7.225 2.915 ( -4.385 5.667 -0.932) 7.225 3.088 ( -0.734 -2.989 2.361) 3.879 3.088 ( -0.734 2.989 2.361) 3.879 3.171 ( -6.341 -8.600 2.980) 11.093 3.171 ( -6.341 8.600 2.980) 11.093 3.391 ( -1.556 -5.269 1.485) 5.691 3.391 ( -1.556 5.269 1.485) 5.691 3.555 ( 4.418 -3.681 -1.092) 5.853 3.555 ( 4.418 3.681 -1.092) 5.853 3.716 ( -1.253 -1.269 0.124) 1.787 3.716 ( -1.253 1.269 0.124) 1.787 3.946 ( -2.870 -4.606 0.412) 5.443 3.946 ( -2.870 4.606 0.412) 5.443 4.183 ( -3.448 -2.329 -1.056) 4.293 4.183 ( -3.448 2.329 -1.056) 4.293 4.404 ( 2.408 -3.843 -0.150) 4.537 4.404 ( 2.408 3.843 -0.150) 4.537 4.430 ( 3.547 -2.874 -1.005) 4.675 4.430 ( 3.547 2.874 -1.005) 4.675 4.559 ( 0.994 -1.625 -0.941) 2.125 4.559 ( 0.994 1.625 -0.941) 2.125 4.642 ( -0.249 -1.873 -2.880) 3.444 4.642 ( -0.249 1.873 -2.880) 3.444 4.824 ( 1.801 -3.695 1.185) 4.278 4.824 ( 1.801 3.695 1.185) 4.278 4.877 ( -0.015 -1.723 2.257) 2.840 4.877 ( -0.015 1.723 2.257) 2.840 5.069 ( 2.190 -3.837 -2.189) 4.931 5.069 ( 2.190 3.837 -2.189) 4.931 5.203 ( 1.733 -1.686 0.788) 2.542 5.203 ( 1.733 1.686 0.788) 2.542 5.242 ( 1.753 -1.525 -1.146) 2.591 5.242 ( 1.753 1.525 -1.146) 2.591 5.550 ( 2.246 -2.148 -0.524) 3.151 5.550 ( 2.246 2.148 -0.524) 3.151 5.653 ( 4.411 -5.857 -4.378) 8.540 5.653 ( 4.411 5.857 -4.378) 8.540 5.866 ( 6.977 -1.043 -0.920) 7.114 5.866 ( 6.977 1.043 -0.920) 7.114 6.126 ( 1.516 -5.835 1.105) 6.129 6.126 ( 1.516 5.835 1.105) 6.129 6.547 ( 0.912 -1.833 9.428) 9.648 6.547 ( 0.912 1.833 9.428) 9.648 6.840 ( 2.415 -3.128 -0.235) 3.959 6.840 ( 2.415 3.128 -0.235) 3.959 7.053 ( 2.724 -2.190 -1.537) 3.818 7.053 ( 2.724 2.190 -1.537) 3.818 7.191 ( 1.641 -2.824 -2.203) 3.940 7.191 ( 1.641 2.824 -2.203) 3.940 7.316 ( 2.948 -3.590 1.515) 4.886 7.316 ( 2.948 3.590 1.515) 4.886 7.364 ( 1.602 -1.472 3.119) 3.803 7.364 ( 1.602 1.472 3.119) 3.803 7.550 ( 6.617 -3.046 -0.292) 7.290 7.550 ( 6.617 3.046 -0.292) 7.290 7.707 ( 8.222 -4.809 -2.736) 9.911 7.707 ( 8.222 4.809 -2.736) 9.911 7.901 ( 3.463 -1.803 -0.516) 3.938 7.901 ( 3.463 1.803 -0.516) 3.938 8.170 ( 4.923 -6.540 -0.110) 8.187 8.170 ( 4.923 6.540 -0.110) 8.187 8.484 ( 0.366 -1.091 -3.108) 3.314 8.484 ( 0.366 1.091 -3.108) 3.314 8.676 ( -3.239 -3.006 1.562) 4.687 8.676 ( -3.239 3.006 1.562) 4.687 8.754 ( 1.875 -2.160 5.512) 6.210 8.754 ( 1.875 2.160 5.512) 6.210 8.885 ( -2.696 -5.084 -1.490) 5.945 8.885 ( -2.696 5.084 -1.490) 5.945 9.188 ( 3.758 -3.288 1.534) 5.224 9.188 ( 3.758 3.288 1.534) 5.224 9.301 ( 2.073 -0.984 -1.937) 3.003 9.301 ( 2.073 0.984 -1.937) 3.003 9.436 ( -2.546 -2.365 0.611) 3.528 9.436 ( -2.546 2.365 0.611) 3.528 9.523 ( -1.024 -0.974 1.299) 1.919 9.523 ( -1.024 0.974 1.299) 1.919 9.665 ( -1.458 -1.820 3.827) 4.481 9.665 ( -1.458 1.820 3.827) 4.481 9.734 ( -4.620 -4.596 -2.783) 7.086 9.734 ( -4.620 4.596 -2.783) 7.086 10.113 ( -2.729 -3.509 -1.867) 4.822 10.113 ( -2.729 3.509 -1.867) 4.822 10.373 ( -0.102 -0.688 -3.954) 4.014 10.373 ( -0.102 0.688 -3.954) 4.014 10.552 ( -3.740 -8.681 -5.395) 10.883 10.552 ( -3.740 8.681 -5.395) 10.883 10.834 ( -1.996 -3.410 -1.977) 4.419 10.834 ( -1.996 3.410 -1.977) 4.419 10.915 ( 0.287 -12.981 6.725) 14.623 10.915 ( 0.287 12.981 6.725) 14.623 11.673 ( -3.690 -6.299 6.978) 10.099 11.673 ( -3.690 6.299 6.978) 10.099 12.528 ( -13.667 -6.986 -5.449) 16.287 12.528 ( -13.667 6.986 -5.449) 16.287 13.031 ( -0.482 -0.864 1.012) 1.415 13.031 ( -0.482 0.864 1.012) 1.415 13.108 ( -2.425 -1.674 1.201) 3.182 13.108 ( -2.425 1.674 1.201) 3.182 ======================= Grid point 69 (37/84) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 8.168 -1.922 -4.393) 9.471 1.156 ( 8.168 1.922 -4.393) 9.471 1.396 ( -11.278 -1.186 -3.756) 11.946 1.396 ( -11.278 1.186 -3.756) 11.946 1.747 ( 13.123 -6.041 1.438) 14.518 1.747 ( 13.123 6.041 1.438) 14.518 1.918 ( -1.273 -5.789 -4.614) 7.512 1.918 ( -1.273 5.789 -4.614) 7.512 2.123 ( -6.752 -3.491 -2.764) 8.088 2.123 ( -6.752 3.491 -2.764) 8.088 2.301 ( -0.452 -1.353 -2.310) 2.715 2.301 ( -0.452 1.353 -2.310) 2.715 2.370 ( -4.060 -2.773 -3.130) 5.829 2.370 ( -4.060 2.773 -3.130) 5.829 2.574 ( 3.150 -0.903 -5.517) 6.416 2.574 ( 3.150 0.903 -5.517) 6.416 2.683 ( -1.598 -0.819 5.319) 5.614 2.683 ( -1.598 0.819 5.319) 5.614 2.831 ( -2.833 -5.785 2.153) 6.792 2.831 ( -2.833 5.785 2.153) 6.792 2.861 ( 6.315 -8.942 3.514) 11.497 2.861 ( 6.315 8.942 3.514) 11.497 3.017 ( -3.198 -2.571 3.773) 5.574 3.017 ( -3.198 2.571 3.773) 5.574 3.102 ( -1.369 -7.149 2.457) 7.682 3.102 ( -1.369 7.149 2.457) 7.682 3.373 ( 0.605 -3.503 0.456) 3.584 3.373 ( 0.605 3.503 0.456) 3.584 3.620 ( 1.541 -4.741 -1.411) 5.181 3.620 ( 1.541 4.741 -1.411) 5.181 3.699 ( -0.459 -4.458 1.746) 4.810 3.699 ( -0.459 4.458 1.746) 4.810 3.905 ( -0.502 -10.046 1.839) 10.225 3.905 ( -0.502 10.046 1.839) 10.225 4.085 ( -4.981 -0.980 -2.670) 5.736 4.085 ( -4.981 0.980 -2.670) 5.736 4.421 ( -3.220 -6.300 -0.413) 7.087 4.421 ( -3.220 6.300 -0.413) 7.087 4.477 ( 2.626 -1.493 -0.987) 3.177 4.477 ( 2.626 1.493 -0.987) 3.177 4.583 ( 2.539 -1.615 0.195) 3.016 4.583 ( 2.539 1.615 0.195) 3.016 4.668 ( 1.955 -0.593 -0.787) 2.189 4.668 ( 1.955 0.593 -0.787) 2.189 4.831 ( 0.738 -2.105 -1.303) 2.584 4.831 ( 0.738 2.105 -1.303) 2.584 4.915 ( 1.814 -2.906 1.841) 3.889 4.915 ( 1.814 2.906 1.841) 3.889 5.105 ( 1.520 -5.293 -3.441) 6.494 5.105 ( 1.520 5.293 -3.441) 6.494 5.229 ( 0.620 -3.123 0.685) 3.256 5.229 ( 0.620 3.123 0.685) 3.256 5.280 ( 2.298 -0.618 -0.390) 2.411 5.280 ( 2.298 0.618 -0.390) 2.411 5.595 ( 2.211 -3.237 0.276) 3.930 5.595 ( 2.211 3.237 0.276) 3.930 5.737 ( 3.945 -4.286 -4.265) 7.219 5.737 ( 3.945 4.286 -4.265) 7.219 5.990 ( 5.329 -1.060 -0.352) 5.445 5.990 ( 5.329 1.060 -0.352) 5.445 6.160 ( 1.724 -5.641 0.447) 5.915 6.160 ( 1.724 5.641 0.447) 5.915 6.548 ( -1.078 -1.804 9.608) 9.835 6.548 ( -1.078 1.804 9.608) 9.835 6.882 ( 1.860 -3.265 0.625) 3.809 6.882 ( 1.860 3.265 0.625) 3.809 7.103 ( 1.766 -1.070 -1.546) 2.579 7.103 ( 1.766 1.070 -1.546) 2.579 7.217 ( 1.832 -1.641 -0.122) 2.463 7.217 ( 1.832 1.641 -0.122) 2.463 7.373 ( 2.457 -3.323 1.691) 4.465 7.373 ( 2.457 3.323 1.691) 4.465 7.422 ( 4.261 -1.871 3.540) 5.847 7.422 ( 4.261 1.871 3.540) 5.847 7.672 ( 5.511 -4.034 -1.590) 7.012 7.672 ( 5.511 4.034 -1.590) 7.012 7.859 ( 7.110 -5.311 -2.569) 9.239 7.859 ( 7.110 5.311 -2.569) 9.239 7.976 ( 4.510 -2.792 1.176) 5.433 7.976 ( 4.510 2.792 1.176) 5.433 8.238 ( 1.439 -6.761 -2.664) 7.408 8.238 ( 1.439 6.761 -2.664) 7.408 8.514 ( 2.274 -0.957 -0.423) 2.503 8.514 ( 2.274 0.957 -0.423) 2.503 8.615 ( -1.975 -2.970 0.874) 3.672 8.615 ( -1.975 2.970 0.874) 3.672 8.792 ( -0.119 -2.256 0.860) 2.418 8.792 ( -0.119 2.256 0.860) 2.418 8.862 ( 2.368 -3.200 0.004) 3.980 8.862 ( 2.368 3.200 0.004) 3.980 9.256 ( 2.346 -2.986 3.039) 4.864 9.256 ( 2.346 2.986 3.039) 4.864 9.323 ( -0.940 -4.672 -3.960) 6.196 9.323 ( -0.940 4.672 -3.960) 6.196 9.382 ( -0.978 -2.196 1.631) 2.905 9.382 ( -0.978 2.196 1.631) 2.905 9.517 ( -0.135 -1.056 0.751) 1.303 9.517 ( -0.135 1.056 0.751) 1.303 9.585 ( -6.368 -0.757 -1.266) 6.537 9.585 ( -6.368 0.757 -1.266) 6.537 9.691 ( 0.570 -2.570 1.448) 3.004 9.691 ( 0.570 2.570 1.448) 3.004 10.051 ( -3.642 -5.863 -2.636) 7.388 10.051 ( -3.642 5.863 -2.636) 7.388 10.337 ( -4.788 -1.307 -5.083) 7.104 10.337 ( -4.788 1.307 -5.083) 7.104 10.455 ( -3.765 -6.919 -1.097) 7.953 10.455 ( -3.765 6.919 -1.097) 7.953 10.784 ( -3.825 -10.361 1.538) 11.151 10.784 ( -3.825 10.361 1.538) 11.151 10.917 ( 0.849 -6.666 3.716) 7.679 10.917 ( 0.849 6.666 3.716) 7.679 11.612 ( -3.501 -3.018 8.291) 9.492 11.612 ( -3.501 3.018 8.291) 9.492 12.309 ( -7.731 -7.454 -8.920) 13.961 12.309 ( -7.731 7.454 -8.920) 13.961 13.019 ( -0.586 -0.724 0.710) 1.171 13.019 ( -0.586 0.724 0.710) 1.171 13.089 ( -0.293 -0.711 1.189) 1.415 13.089 ( -0.293 0.711 1.189) 1.415 ======================= Grid point 71 (38/84) ======================= q-point: ( 0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -4.865 -5.059 -4.166) 8.162 1.147 ( -4.865 5.059 -4.166) 8.162 1.402 ( 7.645 -6.138 -8.897) 13.240 1.402 ( 7.645 6.138 -8.897) 13.240 1.825 ( -4.857 -4.758 -0.036) 6.799 1.825 ( -4.857 4.758 -0.036) 6.799 1.930 ( 0.165 -1.634 -6.290) 6.501 1.930 ( 0.165 1.634 -6.290) 6.501 2.064 ( 4.227 -1.340 -1.963) 4.849 2.064 ( 4.227 1.340 -1.963) 4.849 2.305 ( -2.674 -3.171 -3.953) 5.730 2.305 ( -2.674 3.171 -3.953) 5.730 2.378 ( 4.910 -3.980 4.441) 7.724 2.378 ( 4.910 3.980 4.441) 7.724 2.526 ( -1.698 -4.065 2.083) 4.873 2.526 ( -1.698 4.065 2.083) 4.873 2.681 ( -8.226 -5.596 7.475) 12.444 2.681 ( -8.226 5.596 7.475) 12.444 2.722 ( 0.757 -5.440 -2.190) 5.913 2.722 ( 0.757 5.440 -2.190) 5.913 2.881 ( -0.343 -4.567 -0.393) 4.596 2.881 ( -0.343 4.567 -0.393) 4.597 3.055 ( -1.664 -5.877 -0.781) 6.157 3.055 ( -1.664 5.877 -0.781) 6.157 3.106 ( 4.991 -3.172 3.082) 6.669 3.106 ( 4.991 3.172 3.082) 6.669 3.409 ( 1.769 -0.438 0.386) 1.863 3.409 ( 1.769 0.438 0.386) 1.863 3.587 ( -3.112 -1.506 -0.207) 3.464 3.587 ( -3.112 1.506 -0.207) 3.464 3.701 ( -1.127 -4.308 1.803) 4.804 3.701 ( -1.127 4.308 1.803) 4.804 3.936 ( 2.998 -7.764 -1.030) 8.386 3.936 ( 2.998 7.764 -1.030) 8.386 4.059 ( 2.988 -1.323 0.512) 3.308 4.059 ( 2.988 1.323 0.512) 3.308 4.326 ( -5.320 -4.107 2.613) 7.211 4.326 ( -5.320 4.107 2.613) 7.211 4.512 ( 0.719 -2.081 -0.449) 2.247 4.512 ( 0.719 2.081 -0.449) 2.247 4.608 ( -0.089 -1.511 0.995) 1.811 4.608 ( -0.089 1.511 0.995) 1.811 4.702 ( 1.317 -1.203 -1.237) 2.171 4.702 ( 1.317 1.203 -1.237) 2.171 4.853 ( 0.948 -3.502 -2.490) 4.400 4.853 ( 0.948 3.502 -2.490) 4.400 4.938 ( 0.871 -3.637 1.296) 3.958 4.938 ( 0.871 3.637 1.296) 3.958 5.121 ( -0.013 -5.558 -4.528) 7.169 5.121 ( -0.013 5.558 -4.528) 7.169 5.231 ( -0.125 -2.693 0.099) 2.698 5.231 ( -0.125 2.693 0.099) 2.698 5.319 ( 1.382 -1.069 0.153) 1.754 5.319 ( 1.382 1.069 0.153) 1.754 5.630 ( 1.364 -3.834 0.478) 4.098 5.630 ( 1.364 3.834 0.478) 4.098 5.793 ( 1.982 -2.976 -3.118) 4.744 5.793 ( 1.982 2.976 -3.118) 4.744 6.056 ( 1.303 -0.600 -0.753) 1.620 6.056 ( 1.303 0.600 -0.753) 1.620 6.180 ( 0.098 -4.827 -0.163) 4.831 6.180 ( 0.098 4.827 -0.163) 4.831 6.514 ( -2.534 -2.496 8.211) 8.949 6.514 ( -2.534 2.496 8.211) 8.949 6.908 ( 0.718 -4.573 1.171) 4.775 6.908 ( 0.718 4.573 1.171) 4.775 7.108 ( -0.790 -0.406 -2.405) 2.564 7.108 ( -0.790 0.406 -2.405) 2.564 7.262 ( 2.197 -2.385 1.465) 3.558 7.262 ( 2.197 2.385 1.465) 3.558 7.404 ( 0.465 -1.363 1.469) 2.057 7.404 ( 0.465 1.363 1.469) 2.057 7.500 ( 2.857 -2.587 4.173) 5.680 7.500 ( 2.857 2.587 4.173) 5.680 7.751 ( 2.722 -2.613 -1.745) 4.157 7.751 ( 2.722 2.613 -1.745) 4.157 7.951 ( 2.364 -3.769 -2.337) 5.026 7.951 ( 2.364 3.769 -2.337) 5.026 8.090 ( 6.811 -2.489 4.365) 8.464 8.090 ( 6.811 2.489 4.365) 8.464 8.224 ( -2.167 -7.471 -2.906) 8.304 8.224 ( -2.167 7.471 -2.906) 8.304 8.529 ( -0.255 -2.189 1.555) 2.697 8.529 ( -0.255 2.189 1.555) 2.697 8.638 ( 3.027 -6.132 0.929) 6.901 8.638 ( 3.027 6.132 0.929) 6.901 8.769 ( -0.723 -2.321 -1.362) 2.786 8.769 ( -0.723 2.321 -1.362) 2.786 8.924 ( 1.485 -5.145 -3.889) 6.618 8.924 ( 1.485 5.145 -3.889) 6.618 9.199 ( -6.077 -2.624 -0.419) 6.633 9.199 ( -6.077 2.624 -0.419) 6.633 9.334 ( -0.373 -1.792 2.805) 3.350 9.334 ( -0.373 1.792 2.805) 3.350 9.406 ( -0.546 -5.147 -3.673) 6.347 9.406 ( -0.546 5.147 -3.673) 6.347 9.429 ( -0.610 -1.614 0.264) 1.746 9.429 ( -0.610 1.614 0.264) 1.746 9.584 ( 3.652 -3.308 0.200) 4.932 9.584 ( 3.652 3.308 0.200) 4.932 9.720 ( 2.189 -2.075 2.774) 4.098 9.720 ( 2.189 2.075 2.774) 4.098 9.974 ( -3.945 -6.419 -2.674) 7.995 9.974 ( -3.945 6.419 -2.674) 7.995 10.219 ( -5.854 -5.167 -1.217) 7.902 10.219 ( -5.854 5.167 -1.217) 7.902 10.426 ( 0.460 -4.891 -3.830) 6.229 10.426 ( 0.460 4.891 -3.830) 6.229 10.713 ( -3.031 -9.488 4.510) 10.933 10.713 ( -3.031 9.488 4.510) 10.933 10.951 ( 2.335 -7.453 1.090) 7.886 10.951 ( 2.335 7.453 1.090) 7.886 11.528 ( -5.039 -1.772 6.867) 8.700 11.528 ( -5.039 1.772 6.867) 8.700 12.241 ( 0.446 -8.544 -8.583) 12.119 12.241 ( 0.446 8.544 -8.583) 12.119 13.013 ( -0.041 -0.814 0.813) 1.151 13.013 ( -0.041 0.814 0.813) 1.151 13.085 ( -0.253 -0.470 0.806) 0.967 13.085 ( -0.253 0.470 0.806) 0.967 ======================= Grid point 73 (39/84) ======================= q-point: (-0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 4.850 -1.705 -5.066) 7.217 1.146 ( 4.850 1.705 -5.066) 7.217 1.438 ( -4.576 -7.636 -6.122) 10.804 1.438 ( -4.576 7.636 -6.122) 10.804 1.717 ( -4.147 -3.833 -6.216) 8.398 1.717 ( -4.147 3.833 -6.216) 8.398 2.000 ( 3.999 -1.951 -1.113) 4.586 2.000 ( 3.999 1.951 -1.113) 4.586 2.116 ( -3.662 -1.987 -2.335) 4.776 2.116 ( -3.662 1.987 -2.335) 4.776 2.217 ( 4.075 -4.247 -1.663) 6.116 2.217 ( 4.075 4.247 -1.663) 6.116 2.441 ( -2.180 -2.689 2.179) 4.090 2.441 ( -2.180 2.689 2.179) 4.090 2.510 ( -4.551 -4.307 3.459) 7.158 2.510 ( -4.551 4.307 3.459) 7.158 2.634 ( 7.852 -2.380 4.007) 9.131 2.634 ( 7.852 2.380 4.007) 9.131 2.773 ( 4.375 -1.789 -0.872) 4.807 2.773 ( 4.375 1.789 -0.872) 4.807 2.868 ( -1.351 -1.034 -0.594) 1.802 2.868 ( -1.351 1.034 -0.594) 1.802 3.031 ( -0.646 -4.328 -1.432) 4.604 3.031 ( -0.646 4.328 -1.432) 4.604 3.167 ( 0.392 -2.248 5.348) 5.814 3.167 ( 0.392 2.248 5.348) 5.814 3.382 ( -2.400 -5.003 0.498) 5.571 3.382 ( -2.400 5.003 0.498) 5.571 3.593 ( 2.885 -2.868 -1.461) 4.322 3.593 ( 2.885 2.868 -1.461) 4.322 3.663 ( -1.794 -4.236 -0.268) 4.608 3.663 ( -1.794 4.236 -0.268) 4.608 3.946 ( -3.500 -5.567 2.420) 7.007 3.946 ( -3.500 5.567 2.420) 7.007 4.118 ( 2.242 -1.510 1.646) 3.165 4.118 ( 2.242 1.510 1.646) 3.165 4.312 ( 4.051 -3.946 0.360) 5.667 4.312 ( 4.051 3.946 0.360) 5.667 4.516 ( 0.454 -0.144 0.246) 0.536 4.516 ( 0.454 0.144 0.246) 0.536 4.591 ( -1.478 -0.103 0.053) 1.483 4.591 ( -1.478 0.103 0.053) 1.483 4.705 ( -0.980 -0.741 -1.066) 1.627 4.705 ( -0.980 0.741 -1.066) 1.627 4.848 ( -1.619 -4.665 -2.350) 5.469 4.848 ( -1.619 4.665 -2.350) 5.469 4.953 ( 0.476 -3.541 2.421) 4.315 4.953 ( 0.476 3.541 2.421) 4.315 5.102 ( -1.548 -5.600 -4.979) 7.652 5.102 ( -1.548 5.600 -4.979) 7.652 5.228 ( -0.252 -1.347 -0.354) 1.415 5.228 ( -0.252 1.347 -0.354) 1.415 5.327 ( -0.516 -1.482 0.388) 1.616 5.327 ( -0.516 1.482 0.388) 1.616 5.642 ( -0.282 -3.760 -0.472) 3.800 5.642 ( -0.282 3.760 -0.472) 3.800 5.810 ( -0.317 -1.393 -1.318) 1.943 5.810 ( -0.317 1.393 -1.318) 1.944 6.037 ( -3.189 -0.862 -1.711) 3.720 6.037 ( -3.189 0.862 -1.711) 3.720 6.162 ( -1.832 -4.079 -0.687) 4.524 6.162 ( -1.832 4.079 -0.687) 4.524 6.464 ( -2.573 -3.571 6.639) 7.966 6.464 ( -2.573 3.571 6.639) 7.966 6.908 ( -0.766 -5.883 0.636) 5.967 6.908 ( -0.766 5.883 0.636) 5.967 7.084 ( -1.641 -1.070 -0.860) 2.140 7.084 ( -1.641 1.070 -0.860) 2.140 7.285 ( -0.173 -2.690 0.159) 2.701 7.285 ( -0.173 2.690 0.159) 2.701 7.391 ( -1.469 -1.148 1.179) 2.206 7.391 ( -1.469 1.148 1.179) 2.206 7.512 ( -1.698 -0.577 3.911) 4.303 7.512 ( -1.698 0.577 3.911) 4.303 7.775 ( -0.432 -1.454 -0.038) 1.517 7.775 ( -0.432 1.454 -0.038) 1.517 7.957 ( -1.572 -2.927 -1.115) 3.504 7.957 ( -1.572 2.927 -1.115) 3.504 8.150 ( -2.098 -4.528 2.543) 5.601 8.150 ( -2.098 4.528 2.543) 5.601 8.236 ( 4.604 -3.410 1.244) 5.863 8.236 ( 4.604 3.410 1.244) 5.863 8.518 ( -1.796 -2.067 0.332) 2.758 8.518 ( -1.796 2.067 0.332) 2.758 8.648 ( -1.789 -4.863 1.115) 5.300 8.648 ( -1.789 4.863 1.115) 5.300 8.800 ( 2.264 -2.573 -0.433) 3.454 8.800 ( 2.264 2.573 -0.433) 3.454 8.888 ( -3.515 -2.252 -5.025) 6.533 8.888 ( -3.515 2.252 -5.025) 6.533 9.093 ( -3.420 -2.714 -3.627) 5.676 9.093 ( -3.420 2.714 -3.627) 5.676 9.288 ( -0.226 -2.636 2.539) 3.667 9.288 ( -0.226 2.636 2.539) 3.667 9.410 ( 0.352 -3.799 -1.398) 4.064 9.410 ( 0.352 3.799 -1.398) 4.064 9.490 ( 3.041 -2.066 0.664) 3.736 9.490 ( 3.041 2.066 0.664) 3.736 9.654 ( 2.649 -4.921 -0.212) 5.593 9.654 ( 2.649 4.921 -0.212) 5.593 9.745 ( -1.367 -2.266 1.832) 3.218 9.745 ( -1.367 2.266 1.832) 3.218 9.953 ( 3.298 -3.975 -0.119) 5.166 9.953 ( 3.298 3.975 -0.119) 5.166 10.148 ( -0.263 -5.781 -4.399) 7.270 10.148 ( -0.263 5.781 -4.399) 7.270 10.479 ( 4.966 -11.427 -3.188) 12.860 10.479 ( 4.966 11.427 -3.188) 12.860 10.671 ( -1.431 -5.733 4.519) 7.439 10.671 ( -1.431 5.733 4.519) 7.439 10.986 ( 0.351 -9.893 2.079) 10.115 10.986 ( 0.351 9.893 2.079) 10.115 11.458 ( -1.208 -1.212 3.610) 3.995 11.458 ( -1.208 1.212 3.610) 3.995 12.298 ( 5.222 -8.460 -5.881) 11.551 12.298 ( 5.222 8.460 -5.881) 11.551 13.015 ( 0.172 -0.932 0.888) 1.299 13.015 ( 0.172 0.932 0.888) 1.299 13.080 ( -0.207 -0.582 0.664) 0.907 13.080 ( -0.207 0.582 0.664) 0.907 ======================= Grid point 75 (40/84) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -4.483 -4.953 -8.138) 10.529 1.214 ( -4.483 4.953 -8.138) 10.529 1.363 ( 2.812 -6.078 3.708) 7.655 1.363 ( 2.812 6.078 3.708) 7.655 1.620 ( -6.658 -7.585 -5.834) 11.657 1.620 ( -6.658 7.585 -5.834) 11.657 1.978 ( 1.629 -5.281 -2.719) 6.159 1.978 ( 1.629 5.281 -2.719) 6.159 2.133 ( 2.094 -4.073 -5.100) 6.854 2.133 ( 2.094 4.073 -5.100) 6.854 2.268 ( -2.120 -3.063 3.641) 5.209 2.268 ( -2.120 3.063 3.641) 5.209 2.455 ( -1.272 -4.981 -3.705) 6.337 2.455 ( -1.272 4.981 -3.705) 6.337 2.506 ( 7.885 -2.002 -4.978) 9.537 2.506 ( 7.885 2.002 -4.978) 9.537 2.703 ( 0.696 -11.423 3.583) 11.992 2.703 ( 0.696 11.423 3.583) 11.992 2.821 ( -1.738 -4.572 3.291) 5.896 2.821 ( -1.738 4.572 3.291) 5.896 2.877 ( -2.144 -2.672 1.513) 3.745 2.877 ( -2.144 2.672 1.513) 3.745 3.008 ( 3.580 -0.935 2.059) 4.234 3.008 ( 3.580 0.935 2.059) 4.234 3.168 ( 0.962 -3.001 5.740) 6.548 3.168 ( 0.962 3.001 5.740) 6.548 3.390 ( 0.704 -2.153 2.028) 3.040 3.390 ( 0.704 2.153 2.028) 3.040 3.613 ( 0.877 -5.080 -2.183) 5.599 3.613 ( 0.877 5.080 -2.183) 5.599 3.685 ( 3.834 -4.349 -1.485) 5.985 3.685 ( 3.834 4.349 -1.485) 5.985 3.860 ( -3.344 -5.064 4.577) 7.601 3.860 ( -3.344 5.064 4.577) 7.601 4.179 ( 2.760 -1.799 -0.784) 3.387 4.179 ( 2.760 1.799 -0.784) 3.387 4.345 ( -0.881 -2.858 -4.527) 5.426 4.345 ( -0.881 2.858 -4.527) 5.426 4.512 ( -2.770 -2.010 -0.494) 3.457 4.512 ( -2.770 2.010 -0.494) 3.457 4.594 ( 2.326 -0.374 1.799) 2.964 4.594 ( 2.326 0.374 1.799) 2.964 4.676 ( -1.253 -0.109 -1.082) 1.659 4.676 ( -1.253 0.109 -1.082) 1.659 4.791 ( -4.022 -2.630 -1.802) 5.132 4.791 ( -4.022 2.630 -1.802) 5.132 4.949 ( -0.927 -3.765 3.923) 5.516 4.949 ( -0.927 3.765 3.923) 5.516 5.079 ( -0.305 -5.187 -3.981) 6.546 5.079 ( -0.305 5.187 -3.981) 6.546 5.220 ( -0.665 -0.549 -0.504) 0.999 5.220 ( -0.665 0.549 -0.504) 0.999 5.303 ( -1.759 -1.710 0.499) 2.504 5.303 ( -1.759 1.710 0.499) 2.504 5.618 ( -2.106 -3.686 -1.471) 4.492 5.618 ( -2.106 3.686 -1.471) 4.492 5.774 ( -3.490 -1.810 -0.645) 3.984 5.774 ( -3.490 1.810 -0.645) 3.984 5.943 ( -6.031 -0.980 -2.537) 6.616 5.943 ( -6.031 0.980 -2.537) 6.616 6.119 ( -2.300 -3.515 -0.721) 4.262 6.119 ( -2.300 3.515 -0.721) 4.262 6.422 ( -1.833 -4.235 5.441) 7.135 6.422 ( -1.833 4.235 5.441) 7.135 6.886 ( -1.337 -5.648 0.226) 5.808 6.886 ( -1.337 5.648 0.226) 5.808 7.047 ( -2.013 -1.096 0.423) 2.330 7.047 ( -2.013 1.096 0.423) 2.330 7.249 ( -3.376 -1.653 -0.989) 3.886 7.249 ( -3.376 1.653 -0.989) 3.886 7.367 ( -0.902 -1.512 0.792) 1.930 7.367 ( -0.902 1.512 0.792) 1.930 7.453 ( -3.934 -2.320 2.399) 5.159 7.453 ( -3.934 2.320 2.399) 5.159 7.730 ( -4.148 -2.743 2.193) 5.435 7.730 ( -4.148 2.743 2.193) 5.435 7.893 ( -4.847 -4.688 0.741) 6.784 7.893 ( -4.847 4.688 0.741) 6.784 8.084 ( -5.179 -6.385 -0.546) 8.239 8.084 ( -5.179 6.385 -0.546) 8.239 8.292 ( -0.077 -1.851 3.333) 3.813 8.292 ( -0.077 1.851 3.333) 3.813 8.447 ( -4.264 -2.857 -3.647) 6.296 8.447 ( -4.264 2.857 -3.647) 6.296 8.619 ( -0.820 -2.429 0.471) 2.607 8.619 ( -0.820 2.429 0.471) 2.607 8.755 ( -1.528 -1.556 0.878) 2.350 8.755 ( -1.528 1.556 0.878) 2.350 8.930 ( 3.619 -5.298 2.345) 6.831 8.930 ( 3.619 5.298 2.345) 6.831 9.058 ( -0.613 -3.186 -4.535) 5.576 9.058 ( -0.613 3.186 -4.535) 5.576 9.346 ( 5.084 -3.551 0.871) 6.263 9.346 ( 5.084 3.551 0.871) 6.263 9.397 ( -1.361 -2.314 -0.467) 2.724 9.397 ( -1.361 2.314 -0.467) 2.724 9.531 ( 1.268 -2.980 2.001) 3.807 9.531 ( 1.268 2.980 2.001) 3.807 9.648 ( -3.108 -4.795 1.087) 5.816 9.648 ( -3.108 4.795 1.087) 5.816 9.724 ( 1.143 -3.330 -2.271) 4.189 9.724 ( 1.143 3.330 -2.271) 4.189 10.017 ( 2.095 -0.650 -1.231) 2.516 10.017 ( 2.095 0.650 -1.231) 2.516 10.240 ( 8.260 -2.210 -6.536) 10.763 10.240 ( 8.260 2.210 -6.536) 10.763 10.574 ( 3.134 -13.573 -0.442) 13.937 10.574 ( 3.134 13.573 -0.442) 13.937 10.686 ( 4.192 -2.718 1.792) 5.307 10.686 ( 4.192 2.718 1.792) 5.307 10.940 ( -5.001 -7.758 2.676) 9.610 10.940 ( -5.001 7.758 2.676) 9.610 11.504 ( 5.419 -5.819 3.206) 8.573 11.504 ( 5.419 5.819 3.206) 8.573 12.435 ( 9.149 -6.342 -3.534) 11.679 12.435 ( 9.149 6.342 -3.534) 11.679 13.017 ( -0.026 -0.813 0.690) 1.067 13.017 ( -0.026 0.813 0.690) 1.067 13.082 ( 0.575 -0.723 1.012) 1.370 13.082 ( 0.575 0.723 1.012) 1.370 ======================= Grid point 77 (41/84) ======================= q-point: (-0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -5.688 -14.786 -0.622) 15.854 1.084 ( -5.688 14.786 -0.622) 15.854 1.266 ( -13.008 -7.569 1.912) 15.171 1.266 ( -13.008 7.569 1.912) 15.171 1.658 ( 9.359 -3.122 -1.810) 10.031 1.658 ( 9.359 3.122 -1.810) 10.031 2.086 ( 4.384 -6.283 -2.935) 8.204 2.086 ( 4.384 6.283 -2.935) 8.204 2.131 ( -0.455 -1.589 -7.696) 7.871 2.131 ( -0.455 1.589 -7.696) 7.871 2.255 ( 0.618 -1.323 -2.623) 3.003 2.255 ( 0.618 1.323 -2.623) 3.003 2.432 ( 1.608 -8.930 -3.076) 9.581 2.432 ( 1.608 8.930 -3.076) 9.581 2.554 ( -3.282 -5.108 1.261) 6.201 2.554 ( -3.282 5.108 1.261) 6.201 2.663 ( -9.088 -9.158 -2.077) 13.068 2.663 ( -9.088 9.158 -2.077) 13.068 2.700 ( -1.080 -7.066 5.691) 9.137 2.700 ( -1.080 7.066 5.691) 9.137 2.960 ( 8.262 -4.060 2.085) 9.439 2.960 ( 8.262 4.060 2.085) 9.439 3.118 ( 2.848 -3.017 2.336) 4.761 3.118 ( 2.848 3.017 2.336) 4.761 3.184 ( 1.311 -2.653 4.059) 5.023 3.184 ( 1.311 2.653 4.059) 5.023 3.383 ( 1.138 -2.124 1.096) 2.647 3.383 ( 1.138 2.124 1.096) 2.647 3.638 ( 0.452 -5.860 -0.190) 5.880 3.638 ( 0.452 5.860 -0.190) 5.880 3.784 ( 1.246 -2.389 3.733) 4.604 3.784 ( 1.246 2.389 3.733) 4.604 3.850 ( 5.174 -1.647 -0.621) 5.466 3.850 ( 5.174 1.647 -0.621) 5.466 4.163 ( -3.541 -3.544 -4.879) 6.993 4.163 ( -3.541 3.544 -4.879) 6.993 4.349 ( 0.740 -3.576 -2.761) 4.578 4.349 ( 0.740 3.576 -2.761) 4.578 4.441 ( -2.891 -0.790 0.445) 3.030 4.441 ( -2.891 0.790 0.445) 3.030 4.590 ( -2.908 -1.113 -1.067) 3.291 4.590 ( -2.908 1.113 -1.067) 3.291 4.678 ( -0.510 -1.125 -3.275) 3.500 4.678 ( -0.510 1.125 -3.275) 3.500 4.717 ( -1.739 -3.244 0.906) 3.791 4.717 ( -1.739 3.244 0.906) 3.791 4.924 ( -1.866 -3.712 3.680) 5.550 4.924 ( -1.866 3.712 3.680) 5.550 5.083 ( 0.283 -3.478 -1.517) 3.805 5.083 ( 0.283 3.478 -1.517) 3.805 5.196 ( -1.882 -0.929 -0.033) 2.099 5.196 ( -1.882 0.929 -0.033) 2.099 5.269 ( -1.588 -1.323 0.224) 2.079 5.269 ( -1.588 1.323 0.224) 2.079 5.570 ( -2.452 -3.849 -1.742) 4.885 5.570 ( -2.452 3.849 -1.742) 4.885 5.686 ( -5.074 -4.156 -1.604) 6.752 5.686 ( -5.074 4.156 -1.604) 6.752 5.824 ( -5.821 -1.213 -2.927) 6.628 5.824 ( -5.821 1.213 -2.927) 6.628 6.085 ( -1.014 -3.518 -0.050) 3.662 6.085 ( -1.014 3.518 -0.050) 3.662 6.403 ( -0.075 -4.000 4.688) 6.163 6.403 ( -0.075 4.000 4.688) 6.163 6.851 ( -2.646 -5.043 0.099) 5.696 6.851 ( -2.646 5.043 0.099) 5.696 7.026 ( 0.436 -0.810 0.625) 1.112 7.026 ( 0.436 0.810 0.625) 1.112 7.176 ( -3.546 -1.855 -0.998) 4.125 7.176 ( -3.546 1.855 -0.998) 4.125 7.348 ( -1.881 -0.834 0.027) 2.058 7.348 ( -1.881 0.834 0.027) 2.058 7.379 ( -3.328 -5.129 0.309) 6.122 7.379 ( -3.328 5.129 0.309) 6.122 7.628 ( -6.128 -2.457 3.498) 7.471 7.628 ( -6.128 2.457 3.498) 7.471 7.775 ( -7.651 -5.783 2.095) 9.817 7.775 ( -7.651 5.783 2.095) 9.817 7.951 ( -7.236 -5.423 -3.247) 9.608 7.951 ( -7.236 5.423 -3.247) 9.608 8.229 ( -5.309 -2.459 1.500) 6.041 8.229 ( -5.309 2.459 1.500) 6.041 8.407 ( 0.246 -0.779 -3.040) 3.148 8.407 ( 0.246 0.779 -3.040) 3.148 8.638 ( 2.241 -1.473 3.240) 4.206 8.638 ( 2.241 1.473 3.240) 4.206 8.761 ( 0.824 -2.620 3.239) 4.246 8.761 ( 0.824 2.620 3.239) 4.246 8.965 ( 0.663 -2.941 0.395) 3.040 8.965 ( 0.663 2.941 0.395) 3.040 9.064 ( 0.543 -1.635 -1.718) 2.433 9.064 ( 0.543 1.635 -1.718) 2.433 9.345 ( -3.150 -1.760 0.142) 3.612 9.345 ( -3.150 1.760 0.142) 3.612 9.454 ( 4.258 -4.204 0.103) 5.984 9.454 ( 4.258 4.204 0.103) 5.984 9.552 ( 1.428 -0.162 1.870) 2.359 9.552 ( 1.428 0.162 1.870) 2.359 9.611 ( -0.119 -3.087 3.332) 4.544 9.611 ( -0.119 3.087 3.332) 4.544 9.758 ( 2.098 -2.196 -3.569) 4.686 9.758 ( 2.098 2.196 -3.569) 4.686 10.049 ( 1.530 -1.897 -4.163) 4.823 10.049 ( 1.530 1.897 -4.163) 4.823 10.376 ( 5.230 -3.882 -4.808) 8.096 10.376 ( 5.230 3.882 -4.808) 8.096 10.592 ( -0.667 -10.250 -1.782) 10.426 10.592 ( -0.667 10.250 -1.782) 10.426 10.808 ( 4.303 -3.534 -1.971) 5.907 10.808 ( 4.303 3.534 -1.971) 5.907 10.830 ( -3.049 -5.661 3.252) 7.206 10.830 ( -3.049 5.661 3.252) 7.206 11.632 ( 7.011 -11.066 5.073) 14.048 11.632 ( 7.011 11.066 5.073) 14.048 12.641 ( 11.560 -3.576 -1.723) 12.223 12.641 ( 11.560 3.576 -1.723) 12.223 13.018 ( 0.267 -0.380 0.918) 1.029 13.018 ( 0.267 0.380 0.918) 1.029 13.109 ( 2.599 -0.935 1.018) 2.943 13.109 ( 2.599 0.935 1.018) 2.943 ======================= Grid point 79 (42/84) ======================= q-point: (-0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -7.903 -20.235 -0.722) 21.736 0.980 ( -7.903 20.235 -0.722) 21.736 1.084 ( -1.562 -17.390 10.088) 20.165 1.084 ( -1.562 17.390 10.088) 20.165 1.819 ( 4.833 -7.716 -2.269) 9.383 1.819 ( 4.833 7.716 -2.269) 9.383 1.984 ( -6.524 -15.663 -3.205) 17.267 1.984 ( -6.524 15.663 -3.205) 17.267 2.159 ( -1.236 -2.793 0.745) 3.144 2.159 ( -1.236 2.793 0.745) 3.144 2.310 ( 4.179 -4.354 -8.924) 10.773 2.310 ( 4.179 4.354 -8.924) 10.773 2.472 ( -2.768 -5.176 1.914) 6.174 2.472 ( -2.768 5.176 1.914) 6.174 2.517 ( 3.754 -6.515 -2.354) 7.879 2.517 ( 3.754 6.515 -2.354) 7.879 2.566 ( -0.821 -7.965 -0.444) 8.020 2.566 ( -0.821 7.965 -0.444) 8.020 2.723 ( 3.954 -2.210 0.935) 4.625 2.723 ( 3.954 2.210 0.935) 4.625 3.009 ( -3.688 -3.068 2.445) 5.385 3.009 ( -3.688 3.068 2.445) 5.385 3.115 ( 0.031 -3.984 2.375) 4.638 3.115 ( 0.031 3.984 2.375) 4.638 3.252 ( 4.143 -0.307 0.523) 4.187 3.252 ( 4.143 0.307 0.523) 4.187 3.433 ( 1.033 -3.518 -0.713) 3.735 3.433 ( 1.033 3.518 -0.713) 3.735 3.639 ( -0.377 -2.643 0.323) 2.690 3.639 ( -0.377 2.643 0.323) 2.690 3.734 ( -3.068 -1.683 -2.382) 4.233 3.734 ( -3.068 1.683 -2.382) 4.233 3.931 ( 0.490 -0.907 3.563) 3.709 3.931 ( 0.490 0.907 3.563) 3.709 4.156 ( 3.861 -2.644 -2.025) 5.099 4.156 ( 3.861 2.644 -2.025) 5.099 4.305 ( -3.178 -3.401 -1.846) 5.008 4.305 ( -3.178 3.401 -1.846) 5.008 4.435 ( -1.534 -1.014 -1.458) 2.347 4.435 ( -1.534 1.014 -1.458) 2.347 4.528 ( -0.897 -2.293 0.296) 2.480 4.528 ( -0.897 2.293 0.296) 2.480 4.639 ( -1.618 -1.236 -0.314) 2.061 4.639 ( -1.618 1.236 -0.314) 2.061 4.727 ( 0.440 -3.278 0.630) 3.367 4.727 ( 0.440 3.278 0.630) 3.367 4.870 ( -3.480 -4.519 -1.105) 5.809 4.870 ( -3.480 4.519 -1.105) 5.809 5.093 ( 1.179 -0.923 1.991) 2.491 5.093 ( 1.179 0.923 1.991) 2.491 5.156 ( -1.894 -1.851 -0.561) 2.707 5.156 ( -1.894 1.851 -0.561) 2.707 5.246 ( -0.832 -1.618 0.005) 1.819 5.246 ( -0.832 1.618 0.005) 1.819 5.533 ( -1.523 -3.584 -1.899) 4.332 5.533 ( -1.523 3.584 -1.899) 4.332 5.600 ( -3.229 -6.194 -2.932) 7.576 5.600 ( -3.229 6.194 -2.932) 7.576 5.734 ( -3.210 -1.644 -3.824) 5.257 5.734 ( -3.210 1.644 -3.824) 5.257 6.086 ( 1.005 -3.847 0.770) 4.050 6.086 ( 1.005 3.847 0.770) 4.050 6.428 ( 2.517 -4.214 5.166) 7.126 6.428 ( 2.517 4.214 5.166) 7.126 6.792 ( -2.821 -4.686 -1.296) 5.621 6.792 ( -2.821 4.686 -1.296) 5.621 7.059 ( 1.809 -0.766 -0.294) 1.987 7.059 ( 1.809 0.766 -0.294) 1.987 7.137 ( 0.082 -2.707 -0.003) 2.708 7.137 ( 0.082 2.707 -0.003) 2.708 7.258 ( -6.504 -3.335 -1.806) 7.529 7.258 ( -6.504 3.335 -1.806) 7.529 7.341 ( -1.629 -2.480 -1.256) 3.222 7.341 ( -1.629 2.480 -1.256) 3.222 7.513 ( -5.427 -3.221 3.405) 7.171 7.513 ( -5.427 3.221 3.405) 7.171 7.615 ( -7.691 -3.490 3.858) 9.285 7.615 ( -7.691 3.490 3.858) 9.285 7.854 ( -2.706 -5.575 -2.686) 6.754 7.854 ( -2.706 5.575 -2.686) 6.754 8.127 ( -4.786 -2.894 -0.724) 5.639 8.127 ( -4.786 2.894 -0.724) 5.639 8.435 ( 2.275 -3.070 -0.050) 3.821 8.435 ( 2.275 3.070 -0.050) 3.821 8.681 ( 1.864 -1.524 3.705) 4.418 8.681 ( 1.864 1.524 3.705) 4.418 8.766 ( -0.427 -2.240 3.685) 4.334 8.766 ( -0.427 2.240 3.685) 4.334 8.976 ( 0.284 -1.617 0.900) 1.873 8.976 ( 0.284 1.617 0.900) 1.873 9.065 ( 0.027 -2.706 -1.423) 3.057 9.065 ( 0.027 2.706 -1.423) 3.057 9.288 ( -2.363 -0.877 0.707) 2.617 9.288 ( -2.363 0.877 0.707) 2.617 9.485 ( -0.343 -1.736 -0.313) 1.797 9.485 ( -0.343 1.736 -0.313) 1.797 9.587 ( 1.152 -1.257 0.917) 1.936 9.587 ( 1.152 1.257 0.917) 1.936 9.649 ( 3.385 -2.421 6.451) 7.677 9.649 ( 3.385 2.421 6.451) 7.677 9.797 ( 1.859 -2.116 -4.067) 4.947 9.797 ( 1.859 2.116 -4.067) 4.947 10.079 ( 1.884 -1.854 -4.617) 5.320 10.079 ( 1.884 1.854 -4.617) 5.320 10.438 ( 1.163 -4.223 -2.279) 4.938 10.438 ( 1.163 4.223 -2.279) 4.938 10.551 ( -2.772 -4.024 -5.854) 7.625 10.551 ( -2.772 4.024 -5.854) 7.625 10.737 ( -2.531 -1.359 3.392) 4.445 10.737 ( -2.531 1.359 3.392) 4.445 10.932 ( 4.487 -6.270 -4.588) 8.972 10.932 ( 4.487 6.270 -4.588) 8.972 11.751 ( 4.686 -13.266 7.174) 15.792 11.751 ( 4.686 13.266 7.174) 15.792 12.819 ( 5.548 -3.336 -1.276) 6.598 12.819 ( 5.548 3.336 -1.276) 6.598 13.027 ( 0.382 -0.336 2.090) 2.151 13.027 ( 0.382 0.336 2.090) 2.151 13.207 ( 7.466 -3.294 -0.583) 8.181 13.207 ( 7.466 3.294 -0.583) 8.181 ======================= Grid point 90 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 2.492 0.000 19.173) 19.334 0.976 ( 10.803 0.000 23.030) 25.438 1.048 ( -13.246 0.000 13.658) 19.026 1.428 ( 0.019 0.000 -9.340) 9.340 1.648 ( -2.348 0.000 -11.477) 11.715 1.770 ( 11.137 0.000 -3.741) 11.748 1.931 ( -0.785 0.000 4.498) 4.566 1.977 ( -2.866 0.000 6.989) 7.554 2.001 ( 3.080 0.000 -7.057) 7.700 2.070 ( -0.403 0.000 2.783) 2.812 2.140 ( -3.729 0.000 -8.171) 8.982 2.296 ( -4.280 0.000 10.596) 11.428 2.374 ( -0.358 0.000 -5.821) 5.832 2.386 ( 2.651 0.000 -7.828) 8.265 2.522 ( 4.441 0.000 -4.867) 6.588 2.578 ( 4.658 0.000 -1.522) 4.900 2.649 ( -0.906 0.000 -8.805) 8.851 2.761 ( -8.892 0.000 1.969) 9.108 2.778 ( -3.218 0.000 1.465) 3.536 2.859 ( 10.216 0.000 4.603) 11.205 2.934 ( -3.922 0.000 -2.515) 4.659 2.975 ( -2.988 0.000 -5.525) 6.281 3.086 ( -6.410 0.000 5.181) 8.242 3.182 ( 0.815 0.000 0.471) 0.941 3.209 ( -2.948 0.000 -0.303) 2.964 3.364 ( 0.353 0.000 -1.552) 1.592 3.416 ( 2.000 0.000 -3.152) 3.733 3.443 ( 1.174 0.000 -9.864) 9.934 3.590 ( 3.140 0.000 4.344) 5.360 3.594 ( -2.372 0.000 2.317) 3.316 3.721 ( 1.619 0.000 2.684) 3.135 3.787 ( -2.383 0.000 0.783) 2.509 4.032 ( 3.283 0.000 0.743) 3.366 4.047 ( 1.733 0.000 -1.388) 2.221 4.099 ( -2.039 0.000 0.154) 2.045 4.112 ( -1.565 0.000 0.467) 1.633 4.257 ( -2.472 0.000 4.828) 5.424 4.334 ( -0.444 0.000 -1.174) 1.255 4.345 ( -3.379 0.000 1.898) 3.876 4.463 ( 3.139 0.000 4.193) 5.238 4.489 ( 2.651 0.000 -5.172) 5.812 4.544 ( -0.181 0.000 1.193) 1.207 4.594 ( 0.077 0.000 -2.610) 2.611 4.633 ( 0.317 0.000 -0.962) 1.013 4.709 ( 1.539 0.000 1.241) 1.977 4.774 ( 3.604 0.000 -2.510) 4.391 4.808 ( 1.620 0.000 1.351) 2.110 4.937 ( -1.352 0.000 -3.920) 4.147 4.981 ( -0.879 0.000 4.414) 4.500 5.016 ( -2.608 0.000 0.407) 2.639 5.070 ( 1.150 0.000 -0.557) 1.278 5.175 ( 1.780 0.000 -2.910) 3.411 5.246 ( 0.289 0.000 0.439) 0.526 5.268 ( -1.537 0.000 -0.914) 1.788 5.385 ( 0.446 0.000 4.844) 4.865 5.467 ( -2.200 0.000 -0.169) 2.207 5.547 ( 1.779 0.000 -2.629) 3.174 5.570 ( -0.413 0.000 0.458) 0.617 5.617 ( 0.407 0.000 -1.747) 1.793 5.648 ( 0.694 0.000 -7.915) 7.946 5.996 ( -0.579 0.000 4.917) 4.951 6.224 ( 0.768 0.000 -2.950) 3.048 6.536 ( 2.903 0.000 4.031) 4.967 6.602 ( -1.920 0.000 1.150) 2.238 6.648 ( 3.149 0.000 2.152) 3.814 6.796 ( 0.189 0.000 -3.628) 3.633 7.003 ( -5.246 0.000 -2.310) 5.732 7.007 ( -2.505 0.000 -2.920) 3.847 7.126 ( 0.818 0.000 1.643) 1.836 7.126 ( 3.108 0.000 0.352) 3.128 7.205 ( -1.157 0.000 0.476) 1.251 7.222 ( -1.607 0.000 -0.764) 1.779 7.279 ( 3.192 0.000 0.421) 3.220 7.362 ( -1.258 0.000 -0.260) 1.284 7.402 ( 5.143 0.000 1.449) 5.343 7.520 ( -2.320 0.000 -3.615) 4.295 7.591 ( -4.419 0.000 3.629) 5.718 7.638 ( 1.778 0.000 -1.209) 2.150 7.749 ( -4.231 0.000 5.705) 7.103 7.961 ( 1.358 0.000 -2.394) 2.753 8.061 ( -1.422 0.000 5.280) 5.468 8.209 ( 2.167 0.000 -3.525) 4.138 8.229 ( 0.120 0.000 0.689) 0.699 8.445 ( -1.117 0.000 -6.815) 6.906 8.644 ( 0.827 0.000 4.770) 4.841 8.765 ( -0.067 0.000 4.644) 4.645 8.862 ( -0.462 0.000 -1.525) 1.593 8.872 ( 0.682 0.000 0.316) 0.751 8.923 ( -0.918 0.000 3.987) 4.092 9.000 ( -1.326 0.000 -0.158) 1.335 9.142 ( -0.760 0.000 0.946) 1.214 9.211 ( -1.896 0.000 -1.351) 2.329 9.263 ( 3.888 0.000 1.913) 4.333 9.268 ( 2.053 0.000 1.349) 2.457 9.438 ( -1.375 0.000 -1.763) 2.235 9.446 ( -1.530 0.000 -3.027) 3.392 9.651 ( 2.086 0.000 6.587) 6.909 9.661 ( -1.166 0.000 4.475) 4.625 9.731 ( -0.377 0.000 2.683) 2.709 9.799 ( -0.571 0.000 6.156) 6.182 9.900 ( -1.932 0.000 -4.582) 4.972 9.987 ( 1.103 0.000 -5.801) 5.905 10.007 ( 0.394 0.000 -5.827) 5.840 10.091 ( -2.480 0.000 -6.991) 7.417 10.304 ( 3.847 0.000 0.344) 3.863 10.322 ( 2.435 0.000 1.294) 2.757 10.366 ( 3.786 0.000 -0.746) 3.859 10.515 ( 0.599 0.000 -6.464) 6.491 10.660 ( -7.702 0.000 3.728) 8.557 10.719 ( 10.459 0.000 1.039) 10.510 10.791 ( 0.354 0.000 0.279) 0.451 10.923 ( -1.400 0.000 -8.463) 8.578 11.820 ( 2.684 0.000 13.520) 13.784 12.310 ( -6.049 0.000 -10.150) 11.816 12.581 ( -0.349 0.000 11.181) 11.186 12.899 ( -0.188 0.000 -5.772) 5.775 13.044 ( -0.116 0.000 2.871) 2.874 13.113 ( -1.026 0.000 4.659) 4.770 13.114 ( -0.007 0.000 -0.776) 0.776 13.314 ( 0.362 0.000 -4.933) 4.946 ======================= Grid point 91 (44/84) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -12.437 0.000 22.385) 25.609 0.969 ( 11.884 0.000 14.553) 18.789 1.319 ( 12.926 0.000 1.603) 13.025 1.442 ( 1.502 0.000 -12.680) 12.768 1.676 ( 5.713 0.000 -9.205) 10.834 1.784 ( -9.974 0.000 6.116) 11.700 1.904 ( -1.403 0.000 -5.688) 5.859 1.952 ( -7.092 0.000 -13.309) 15.080 1.968 ( 2.513 0.000 7.290) 7.711 2.118 ( 1.426 0.000 10.185) 10.284 2.139 ( 3.639 0.000 -1.061) 3.790 2.245 ( -1.637 0.000 2.286) 2.812 2.380 ( 4.598 0.000 10.638) 11.589 2.437 ( -6.399 0.000 -8.301) 10.481 2.489 ( -1.680 0.000 -8.282) 8.451 2.534 ( -6.667 0.000 -5.657) 8.743 2.611 ( 3.906 0.000 -4.673) 6.091 2.643 ( -4.784 0.000 -0.107) 4.785 2.724 ( -1.078 0.000 -0.523) 1.198 2.882 ( 0.100 0.000 -0.269) 0.286 2.993 ( 0.833 0.000 -0.506) 0.974 3.025 ( -2.398 0.000 4.444) 5.050 3.043 ( 5.084 0.000 0.282) 5.092 3.138 ( -1.163 0.000 -2.219) 2.505 3.260 ( 8.159 0.000 4.594) 9.364 3.296 ( -6.976 0.000 -2.620) 7.452 3.455 ( -4.543 0.000 -0.197) 4.547 3.479 ( 4.717 0.000 -1.459) 4.938 3.567 ( 2.902 0.000 -3.860) 4.829 3.614 ( -1.335 0.000 4.604) 4.794 3.754 ( -0.808 0.000 0.738) 1.094 3.776 ( 3.821 0.000 3.346) 5.079 3.949 ( -9.170 0.000 -2.002) 9.386 4.061 ( 0.676 0.000 -4.171) 4.225 4.147 ( 5.601 0.000 2.645) 6.194 4.171 ( 4.733 0.000 0.465) 4.756 4.201 ( -3.270 0.000 3.560) 4.834 4.317 ( 0.313 0.000 1.151) 1.192 4.356 ( 2.150 0.000 -0.394) 2.186 4.528 ( 2.878 0.000 5.575) 6.274 4.533 ( -0.548 0.000 -2.554) 2.612 4.556 ( 1.713 0.000 -2.077) 2.692 4.587 ( -0.369 0.000 -1.653) 1.693 4.628 ( -0.684 0.000 -2.419) 2.514 4.665 ( -3.715 0.000 -0.338) 3.730 4.807 ( 2.457 0.000 -8.668) 9.009 4.904 ( 6.405 0.000 2.546) 6.892 4.945 ( -1.352 0.000 0.723) 1.533 4.963 ( -1.044 0.000 4.061) 4.193 5.019 ( 4.331 0.000 -3.754) 5.732 5.073 ( -1.384 0.000 -0.266) 1.410 5.175 ( -0.807 0.000 -3.301) 3.398 5.248 ( 0.293 0.000 2.795) 2.811 5.263 ( 1.188 0.000 -0.129) 1.195 5.407 ( 1.512 0.000 4.648) 4.888 5.459 ( 1.355 0.000 -0.248) 1.377 5.595 ( 2.869 0.000 0.033) 2.869 5.618 ( 5.552 0.000 -2.968) 6.295 5.670 ( 1.789 0.000 -7.647) 7.853 5.688 ( 6.867 0.000 -1.076) 6.951 5.993 ( 0.164 0.000 4.555) 4.558 6.235 ( 0.700 0.000 -3.856) 3.919 6.596 ( 1.324 0.000 -1.047) 1.688 6.604 ( 3.948 0.000 5.545) 6.807 6.733 ( 5.334 0.000 2.657) 5.959 6.830 ( 3.118 0.000 -2.828) 4.209 6.970 ( -1.159 0.000 -0.330) 1.205 6.971 ( 1.815 0.000 -2.072) 2.755 7.157 ( 2.400 0.000 -0.365) 2.427 7.199 ( 1.126 0.000 4.235) 4.382 7.199 ( 1.279 0.000 -0.799) 1.508 7.215 ( 3.035 0.000 -1.498) 3.384 7.374 ( 6.165 0.000 1.367) 6.315 7.392 ( 4.774 0.000 -0.691) 4.823 7.505 ( 0.779 0.000 -4.278) 4.348 7.506 ( 3.485 0.000 -0.543) 3.527 7.520 ( -2.754 0.000 4.819) 5.550 7.707 ( 5.350 0.000 -0.553) 5.378 7.733 ( 2.847 0.000 4.053) 4.953 7.999 ( 2.536 0.000 -2.293) 3.419 8.053 ( 0.311 0.000 7.340) 7.346 8.243 ( 1.333 0.000 -1.565) 2.056 8.277 ( 4.903 0.000 -3.549) 6.053 8.416 ( -1.440 0.000 -6.234) 6.398 8.662 ( 0.885 0.000 5.532) 5.603 8.745 ( -1.810 0.000 0.903) 2.023 8.843 ( -2.982 0.000 2.687) 4.014 8.846 ( -1.245 0.000 1.102) 1.663 8.940 ( 1.729 0.000 1.336) 2.185 8.956 ( -3.096 0.000 1.284) 3.352 9.116 ( -1.697 0.000 0.641) 1.814 9.177 ( -1.133 0.000 -1.219) 1.664 9.329 ( 2.673 0.000 1.804) 3.225 9.330 ( 3.712 0.000 0.392) 3.733 9.388 ( -4.296 0.000 -2.609) 5.026 9.398 ( -2.295 0.000 -1.064) 2.530 9.630 ( -1.253 0.000 1.565) 2.005 9.661 ( -1.250 0.000 3.194) 3.430 9.743 ( 1.190 0.000 7.390) 7.485 9.779 ( -1.826 0.000 8.132) 8.334 9.816 ( -4.157 0.000 -1.836) 4.545 9.976 ( -2.537 0.000 -5.109) 5.704 10.030 ( -0.577 0.000 -7.623) 7.645 10.036 ( -2.707 0.000 -6.783) 7.303 10.258 ( -5.584 0.000 -1.473) 5.775 10.354 ( 0.147 0.000 -2.310) 2.315 10.467 ( 3.239 0.000 -0.714) 3.317 10.528 ( -4.346 0.000 0.807) 4.420 10.557 ( 3.056 0.000 -7.224) 7.844 10.813 ( 2.618 0.000 0.173) 2.624 10.898 ( -1.047 0.000 -6.497) 6.581 11.005 ( 16.786 0.000 -0.602) 16.797 11.819 ( -2.495 0.000 14.412) 14.626 12.132 ( -11.460 0.000 -8.351) 14.180 12.471 ( -10.996 0.000 11.780) 16.115 12.810 ( -9.889 0.000 -6.858) 12.034 13.040 ( -0.375 0.000 2.472) 2.500 13.081 ( -2.166 0.000 3.685) 4.274 13.102 ( -0.899 0.000 -0.012) 0.899 13.231 ( -5.721 0.000 -0.225) 5.726 ======================= Grid point 92 (45/84) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 8.468 0.000 6.062) 10.414 1.191 ( 7.909 0.000 2.243) 8.221 1.459 ( -3.122 0.000 -11.204) 11.631 1.463 ( 3.248 0.000 -8.639) 9.229 1.535 ( -9.189 0.000 8.164) 12.292 1.762 ( -2.459 0.000 -2.094) 3.230 1.841 ( -2.257 0.000 -3.213) 3.926 1.960 ( 1.514 0.000 -5.042) 5.265 1.980 ( 5.423 0.000 -6.189) 8.229 2.070 ( -1.883 0.000 -1.154) 2.208 2.144 ( -3.680 0.000 -1.093) 3.839 2.188 ( -10.744 0.000 -1.607) 10.863 2.304 ( 7.032 0.000 8.794) 11.260 2.469 ( 1.805 0.000 -2.350) 2.963 2.520 ( -6.207 0.000 -4.885) 7.899 2.575 ( 11.983 0.000 18.568) 22.099 2.582 ( 3.337 0.000 -3.217) 4.635 2.684 ( 0.688 0.000 -3.750) 3.812 2.753 ( 1.821 0.000 -1.995) 2.702 2.843 ( -6.946 0.000 -3.397) 7.732 2.936 ( 0.083 0.000 -0.507) 0.513 3.038 ( 1.354 0.000 -5.171) 5.346 3.056 ( 2.496 0.000 4.222) 4.905 3.085 ( -10.890 0.000 8.213) 13.640 3.234 ( 0.568 0.000 1.206) 1.334 3.356 ( 0.205 0.000 4.873) 4.878 3.370 ( -0.434 0.000 -2.509) 2.546 3.550 ( -3.847 0.000 2.749) 4.728 3.589 ( 5.265 0.000 0.075) 5.265 3.621 ( 1.649 0.000 -3.416) 3.793 3.692 ( -10.643 0.000 3.532) 11.213 3.797 ( -1.961 0.000 -3.090) 3.660 3.873 ( 5.891 0.000 1.744) 6.144 4.075 ( -0.159 0.000 -3.561) 3.565 4.129 ( -4.019 0.000 2.350) 4.655 4.224 ( -2.034 0.000 0.299) 2.056 4.261 ( 5.649 0.000 2.063) 6.013 4.349 ( -2.406 0.000 -2.736) 3.643 4.354 ( 3.876 0.000 -1.962) 4.344 4.487 ( 0.890 0.000 -0.003) 0.890 4.569 ( 1.669 0.000 6.811) 7.012 4.579 ( -0.189 0.000 -5.917) 5.920 4.581 ( 0.034 0.000 -1.864) 1.864 4.647 ( 2.818 0.000 -0.897) 2.957 4.666 ( 3.802 0.000 -2.690) 4.658 4.845 ( -0.577 0.000 -3.146) 3.199 4.945 ( -0.902 0.000 3.246) 3.368 4.948 ( 2.984 0.000 -3.850) 4.871 5.015 ( -1.158 0.000 2.485) 2.741 5.023 ( 2.595 0.000 3.028) 3.988 5.104 ( 3.685 0.000 -4.298) 5.662 5.178 ( 1.335 0.000 -2.767) 3.072 5.270 ( 1.814 0.000 1.873) 2.607 5.295 ( 1.630 0.000 -0.312) 1.660 5.444 ( 2.159 0.000 4.732) 5.201 5.517 ( 4.520 0.000 0.539) 4.552 5.665 ( 3.607 0.000 -2.263) 4.258 5.720 ( 3.946 0.000 -4.513) 5.994 5.750 ( 7.829 0.000 -2.572) 8.241 5.849 ( 8.850 0.000 -1.327) 8.949 6.004 ( 0.855 0.000 3.671) 3.769 6.247 ( 0.587 0.000 -4.634) 4.671 6.636 ( 2.110 0.000 -3.008) 3.674 6.666 ( 1.912 0.000 5.277) 5.613 6.837 ( 4.773 0.000 3.820) 6.114 6.898 ( 3.464 0.000 -0.063) 3.465 6.977 ( 2.253 0.000 -0.446) 2.296 7.041 ( 4.689 0.000 0.312) 4.700 7.184 ( 0.015 0.000 -1.776) 1.776 7.227 ( 4.582 0.000 1.401) 4.791 7.238 ( 2.567 0.000 5.181) 5.782 7.330 ( 6.746 0.000 -2.083) 7.060 7.458 ( 0.362 0.000 -0.306) 0.474 7.502 ( 4.659 0.000 1.254) 4.825 7.512 ( 3.444 0.000 8.056) 8.762 7.546 ( 4.210 0.000 -6.112) 7.422 7.584 ( 6.623 0.000 2.770) 7.179 7.819 ( 4.588 0.000 -1.670) 4.882 7.834 ( 7.292 0.000 0.143) 7.294 8.056 ( 3.423 0.000 -2.588) 4.291 8.074 ( 1.730 0.000 6.553) 6.778 8.278 ( 2.456 0.000 -2.258) 3.336 8.368 ( 2.377 0.000 -3.424) 4.168 8.422 ( 4.640 0.000 -4.580) 6.519 8.682 ( 1.193 0.000 3.805) 3.987 8.701 ( -2.850 0.000 -0.291) 2.865 8.777 ( -3.880 0.000 2.648) 4.698 8.810 ( -2.524 0.000 2.109) 3.289 8.897 ( -2.563 0.000 2.005) 3.254 8.963 ( 0.478 0.000 0.665) 0.819 9.082 ( -1.865 0.000 0.333) 1.895 9.163 ( -0.823 0.000 -3.280) 3.382 9.315 ( -1.952 0.000 -3.485) 3.994 9.346 ( -1.510 0.000 0.873) 1.744 9.373 ( 0.450 0.000 1.356) 1.429 9.396 ( 2.742 0.000 0.193) 2.749 9.622 ( -3.027 0.000 0.875) 3.151 9.623 ( -0.012 0.000 0.368) 0.368 9.730 ( -3.466 0.000 9.395) 10.014 9.741 ( -3.828 0.000 2.526) 4.587 9.755 ( -0.053 0.000 6.081) 6.082 9.886 ( -6.292 0.000 -4.278) 7.609 9.949 ( -7.649 0.000 -7.965) 11.044 9.997 ( -1.239 0.000 -3.816) 4.012 10.156 ( -4.288 0.000 -1.899) 4.689 10.292 ( -6.072 0.000 -8.903) 10.777 10.458 ( -2.338 0.000 0.523) 2.396 10.490 ( -0.427 0.000 1.072) 1.154 10.643 ( 4.065 0.000 -5.982) 7.232 10.880 ( 4.025 0.000 -0.005) 4.025 10.904 ( 2.720 0.000 -1.609) 3.161 11.310 ( 13.967 0.000 0.355) 13.972 11.756 ( -3.941 0.000 14.179) 14.716 11.910 ( -10.381 0.000 -11.579) 15.551 12.187 ( -17.970 0.000 12.288) 21.769 12.534 ( -16.889 0.000 -7.720) 18.569 13.033 ( -0.387 0.000 1.616) 1.662 13.044 ( -1.485 0.000 2.831) 3.197 13.089 ( -0.503 0.000 0.228) 0.552 13.156 ( -2.397 0.000 1.103) 2.639 ======================= Grid point 93 (46/84) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 16.179 0.000 -11.192) 19.673 1.135 ( -14.363 0.000 4.637) 15.093 1.278 ( -2.939 0.000 -13.653) 13.966 1.390 ( -10.933 0.000 -0.758) 10.959 1.639 ( 8.776 0.000 5.733) 10.482 1.713 ( 3.080 0.000 -9.472) 9.960 1.866 ( 4.633 0.000 4.436) 6.414 1.934 ( -2.122 0.000 -1.750) 2.750 2.045 ( -3.096 0.000 -1.204) 3.322 2.073 ( 5.044 0.000 -9.737) 10.966 2.101 ( 0.049 0.000 -3.740) 3.740 2.218 ( 12.126 0.000 -9.944) 15.682 2.374 ( -10.127 0.000 -3.236) 10.632 2.436 ( 6.028 0.000 7.993) 10.011 2.528 ( -7.383 0.000 5.349) 9.117 2.556 ( 0.005 0.000 4.389) 4.389 2.626 ( -5.732 0.000 -0.751) 5.781 2.688 ( 2.307 0.000 -2.723) 3.569 2.699 ( -9.334 0.000 -0.569) 9.351 2.794 ( 3.945 0.000 7.014) 8.048 2.873 ( -7.595 0.000 9.893) 12.472 2.937 ( 0.127 0.000 -1.463) 1.469 3.115 ( -1.366 0.000 3.680) 3.926 3.170 ( -0.185 0.000 -2.829) 2.835 3.227 ( 11.127 0.000 -7.195) 13.251 3.312 ( -4.106 0.000 4.421) 6.034 3.429 ( 3.305 0.000 1.515) 3.636 3.449 ( -1.179 0.000 6.405) 6.513 3.541 ( -2.887 0.000 2.139) 3.593 3.613 ( -2.209 0.000 -3.004) 3.729 3.629 ( -1.732 0.000 2.056) 2.688 3.763 ( -3.055 0.000 0.429) 3.085 3.974 ( 1.771 0.000 5.763) 6.029 4.005 ( -4.373 0.000 -4.694) 6.415 4.090 ( -0.239 0.000 0.613) 0.658 4.110 ( -4.330 0.000 -5.322) 6.861 4.341 ( 2.930 0.000 3.049) 4.229 4.401 ( 5.185 0.000 -1.401) 5.371 4.475 ( 7.269 0.000 -7.523) 10.461 4.525 ( 1.574 0.000 1.358) 2.079 4.574 ( -0.887 0.000 -0.258) 0.923 4.587 ( 0.115 0.000 4.546) 4.548 4.603 ( 2.944 0.000 -3.042) 4.233 4.713 ( 3.211 0.000 -2.365) 3.988 4.747 ( 3.541 0.000 -1.054) 3.694 4.788 ( -4.394 0.000 0.003) 4.394 4.932 ( -0.689 0.000 3.857) 3.918 4.952 ( -2.367 0.000 1.391) 2.746 5.017 ( 3.441 0.000 -5.092) 6.146 5.093 ( 2.153 0.000 3.655) 4.242 5.140 ( 0.171 0.000 -4.145) 4.148 5.227 ( 3.293 0.000 -3.703) 4.955 5.309 ( 1.914 0.000 0.550) 1.991 5.317 ( 0.802 0.000 -0.549) 0.972 5.487 ( 2.010 0.000 4.546) 4.970 5.619 ( 5.626 0.000 2.016) 5.977 5.712 ( 1.411 0.000 -5.612) 5.786 5.812 ( 4.871 0.000 0.058) 4.871 5.894 ( 6.432 0.000 -2.217) 6.803 5.983 ( 3.653 0.000 -1.025) 3.794 6.033 ( 2.848 0.000 2.436) 3.748 6.253 ( 0.038 0.000 -5.096) 5.097 6.654 ( -0.206 0.000 -3.750) 3.755 6.672 ( -1.450 0.000 4.424) 4.656 6.897 ( 1.004 0.000 5.519) 5.609 6.961 ( 3.401 0.000 2.666) 4.322 7.043 ( 3.830 0.000 -1.204) 4.015 7.117 ( 2.267 0.000 3.742) 4.375 7.220 ( 3.520 0.000 -2.378) 4.248 7.263 ( 1.004 0.000 5.733) 5.820 7.344 ( 6.107 0.000 0.217) 6.111 7.450 ( 4.099 0.000 -0.461) 4.125 7.471 ( 2.194 0.000 2.740) 3.510 7.558 ( 3.670 0.000 -1.359) 3.913 7.612 ( 5.933 0.000 8.063) 10.011 7.653 ( 5.523 0.000 -5.395) 7.721 7.733 ( 6.669 0.000 1.243) 6.784 7.892 ( 3.993 0.000 -0.761) 4.065 7.951 ( 3.498 0.000 0.495) 3.532 8.131 ( 4.679 0.000 -1.402) 4.885 8.133 ( 4.725 0.000 3.193) 5.703 8.345 ( 4.864 0.000 0.082) 4.865 8.394 ( 1.463 0.000 -2.611) 2.993 8.558 ( 7.667 0.000 0.058) 7.668 8.629 ( -4.627 0.000 -0.979) 4.729 8.677 ( -3.413 0.000 1.031) 3.565 8.734 ( 1.226 0.000 -3.862) 4.052 8.754 ( -3.291 0.000 0.983) 3.434 8.872 ( -0.143 0.000 2.395) 2.399 8.961 ( -0.720 0.000 -0.207) 0.749 9.035 ( -3.311 0.000 -0.325) 3.327 9.140 ( -0.779 0.000 -3.843) 3.921 9.309 ( -2.286 0.000 4.635) 5.169 9.326 ( 2.381 0.000 -3.739) 4.432 9.393 ( 2.061 0.000 -0.543) 2.131 9.418 ( -0.943 0.000 -0.502) 1.068 9.539 ( -5.025 0.000 -0.678) 5.070 9.606 ( -2.470 0.000 2.330) 3.396 9.663 ( -3.671 0.000 6.318) 7.308 9.666 ( -4.343 0.000 5.335) 6.879 9.702 ( -7.278 0.000 0.384) 7.288 9.783 ( -6.711 0.000 -5.571) 8.722 9.810 ( 0.629 0.000 -2.512) 2.589 9.972 ( -1.993 0.000 1.487) 2.487 10.090 ( -2.707 0.000 -2.327) 3.570 10.148 ( -7.189 0.000 -11.405) 13.481 10.440 ( 0.475 0.000 -0.976) 1.085 10.463 ( -2.210 0.000 2.763) 3.538 10.698 ( 2.444 0.000 -2.400) 3.426 10.955 ( 3.438 0.000 0.043) 3.438 11.004 ( 6.896 0.000 2.341) 7.283 11.499 ( 4.552 0.000 1.755) 4.878 11.674 ( -5.918 0.000 10.680) 12.210 11.756 ( -5.301 0.000 -13.723) 14.711 11.838 ( -16.358 0.000 14.127) 21.614 12.237 ( -11.313 0.000 -12.281) 16.697 13.016 ( -0.886 0.000 1.941) 2.133 13.039 ( 0.407 0.000 1.841) 1.885 13.078 ( -0.653 0.000 -0.261) 0.704 13.125 ( -1.068 0.000 0.900) 1.396 ======================= Grid point 94 (47/84) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -6.949 0.000 -3.626) 7.838 1.097 ( -1.712 0.000 -14.018) 14.122 1.230 ( -1.651 0.000 -3.847) 4.186 1.316 ( 9.117 0.000 -7.721) 11.948 1.767 ( 1.254 0.000 -4.061) 4.251 1.802 ( 6.828 0.000 7.909) 10.449 1.891 ( -6.318 0.000 -2.919) 6.960 1.954 ( 3.417 0.000 -5.286) 6.294 2.092 ( -2.859 0.000 -1.203) 3.102 2.113 ( 6.903 0.000 2.698) 7.411 2.177 ( 5.466 0.000 -6.229) 8.287 2.220 ( 3.996 0.000 -1.481) 4.261 2.345 ( -9.333 0.000 -0.688) 9.358 2.402 ( -9.360 0.000 3.096) 9.859 2.433 ( 6.876 0.000 -7.187) 9.947 2.536 ( -6.442 0.000 -4.290) 7.740 2.556 ( 3.605 0.000 1.786) 4.024 2.568 ( -2.214 0.000 1.403) 2.621 2.617 ( -5.668 0.000 5.615) 7.978 2.824 ( 1.759 0.000 5.422) 5.700 2.862 ( -10.437 0.000 -2.373) 10.703 2.922 ( 7.462 0.000 3.789) 8.369 3.002 ( -3.225 0.000 7.353) 8.030 3.200 ( 2.024 0.000 -2.468) 3.192 3.219 ( -3.482 0.000 3.854) 5.194 3.355 ( 0.072 0.000 1.046) 1.049 3.441 ( -6.614 0.000 4.932) 8.250 3.541 ( 5.058 0.000 -4.983) 7.100 3.561 ( -0.631 0.000 2.722) 2.794 3.582 ( 4.287 0.000 -2.988) 5.225 3.692 ( 6.039 0.000 0.617) 6.070 3.702 ( 6.091 0.000 8.695) 10.616 3.863 ( -7.541 0.000 -2.459) 7.932 3.971 ( -2.677 0.000 1.124) 2.904 4.093 ( 1.575 0.000 -5.780) 5.991 4.130 ( 2.181 0.000 -1.226) 2.502 4.378 ( 0.706 0.000 3.525) 3.595 4.475 ( -0.807 0.000 0.803) 1.138 4.524 ( 0.044 0.000 -0.734) 0.735 4.557 ( -0.479 0.000 2.839) 2.879 4.558 ( 0.828 0.000 -2.612) 2.740 4.577 ( -0.309 0.000 1.412) 1.446 4.688 ( 4.394 0.000 -2.580) 5.095 4.690 ( -3.831 0.000 -0.003) 3.831 4.748 ( 0.278 0.000 -2.763) 2.776 4.789 ( -0.255 0.000 -0.754) 0.796 4.917 ( 0.314 0.000 1.692) 1.721 4.955 ( 1.704 0.000 2.142) 2.737 5.076 ( 2.949 0.000 -5.529) 6.266 5.111 ( -0.177 0.000 3.554) 3.558 5.125 ( -1.349 0.000 -5.544) 5.706 5.268 ( 0.622 0.000 -2.919) 2.984 5.332 ( 0.248 0.000 0.103) 0.269 5.339 ( 1.636 0.000 -1.037) 1.937 5.516 ( 0.878 0.000 4.295) 4.384 5.704 ( 0.787 0.000 -0.683) 1.042 5.740 ( 3.919 0.000 -1.331) 4.139 5.885 ( 2.495 0.000 2.016) 3.207 5.970 ( 0.847 0.000 -2.429) 2.573 6.001 ( -0.279 0.000 -0.982) 1.021 6.087 ( 1.421 0.000 1.350) 1.960 6.242 ( -1.173 0.000 -4.760) 4.902 6.621 ( -3.603 0.000 4.322) 5.627 6.643 ( -0.166 0.000 -3.037) 3.041 6.878 ( -2.805 0.000 6.862) 7.414 7.024 ( 2.610 0.000 1.851) 3.200 7.110 ( 3.079 0.000 1.927) 3.632 7.119 ( -1.855 0.000 5.558) 5.859 7.289 ( 2.856 0.000 -2.647) 3.895 7.291 ( 1.633 0.000 3.693) 4.038 7.416 ( 1.016 0.000 -2.433) 2.637 7.453 ( -2.027 0.000 0.953) 2.240 7.556 ( 5.249 0.000 5.748) 7.784 7.677 ( -0.783 0.000 5.471) 5.527 7.683 ( 7.209 0.000 -2.706) 7.700 7.749 ( 5.285 0.000 -5.126) 7.362 7.787 ( 0.704 0.000 -1.540) 1.693 7.931 ( -5.304 0.000 -1.240) 5.447 8.029 ( 9.293 0.000 4.005) 10.119 8.228 ( 4.394 0.000 2.412) 5.012 8.266 ( 8.511 0.000 4.635) 9.691 8.429 ( 2.236 0.000 -1.296) 2.584 8.460 ( 5.185 0.000 2.305) 5.674 8.542 ( -2.671 0.000 -1.356) 2.996 8.566 ( -6.773 0.000 -1.942) 7.046 8.653 ( 0.091 0.000 -2.114) 2.116 8.687 ( -3.150 0.000 -1.928) 3.693 8.833 ( 9.336 0.000 -5.394) 10.782 8.866 ( -1.798 0.000 1.624) 2.423 8.890 ( -7.459 0.000 -5.139) 9.058 8.983 ( -1.570 0.000 0.458) 1.636 9.148 ( 1.321 0.000 -2.814) 3.108 9.265 ( -1.868 0.000 5.452) 5.763 9.339 ( -2.782 0.000 -1.089) 2.988 9.403 ( 1.604 0.000 0.409) 1.655 9.417 ( -3.671 0.000 0.065) 3.672 9.490 ( 1.586 0.000 0.588) 1.691 9.494 ( -6.397 0.000 -0.842) 6.452 9.564 ( -3.532 0.000 2.196) 4.159 9.575 ( -2.164 0.000 -2.686) 3.449 9.660 ( 1.571 0.000 3.601) 3.929 9.734 ( -0.447 0.000 0.936) 1.037 9.808 ( -2.463 0.000 -2.607) 3.586 9.946 ( 1.682 0.000 -0.862) 1.890 10.049 ( -1.398 0.000 -1.648) 2.161 10.060 ( -2.065 0.000 -6.511) 6.831 10.415 ( -2.603 0.000 3.428) 4.304 10.472 ( 2.563 0.000 -2.121) 3.326 10.757 ( 3.978 0.000 1.362) 4.205 10.985 ( -1.133 0.000 -1.905) 2.216 11.130 ( 4.010 0.000 6.805) 7.899 11.486 ( -5.880 0.000 0.843) 5.940 11.487 ( -8.317 0.000 5.957) 10.230 11.662 ( -5.168 0.000 14.808) 15.684 11.681 ( -0.040 0.000 -11.752) 11.752 12.163 ( 2.939 0.000 -15.644) 15.918 13.007 ( -0.141 0.000 2.037) 2.041 13.052 ( 0.856 0.000 1.829) 2.020 13.065 ( -0.714 0.000 -0.405) 0.821 13.108 ( -0.877 0.000 0.434) 0.978 ======================= Grid point 95 (48/84) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 5.351 0.000 -10.170) 11.491 1.127 ( 7.834 0.000 -9.693) 12.463 1.276 ( 7.683 0.000 -0.657) 7.711 1.361 ( -9.397 0.000 -11.972) 15.219 1.616 ( -15.933 0.000 2.586) 16.142 1.836 ( -5.704 0.000 5.109) 7.657 1.868 ( 8.952 0.000 -3.933) 9.778 1.952 ( 0.600 0.000 -0.522) 0.795 2.086 ( -0.984 0.000 -5.493) 5.580 2.187 ( -8.470 0.000 -5.117) 9.895 2.207 ( -6.737 0.000 1.870) 6.992 2.290 ( 4.413 0.000 3.119) 5.404 2.313 ( 6.823 0.000 -6.430) 9.375 2.333 ( -9.688 0.000 -7.982) 12.552 2.398 ( 10.797 0.000 1.543) 10.907 2.487 ( 6.663 0.000 4.330) 7.947 2.552 ( 4.249 0.000 -2.519) 4.940 2.636 ( 1.840 0.000 -0.972) 2.081 2.710 ( -3.120 0.000 1.208) 3.345 2.768 ( 11.719 0.000 4.498) 12.552 2.844 ( 1.392 0.000 4.182) 4.408 2.887 ( -8.931 0.000 11.164) 14.297 3.031 ( 4.318 0.000 -0.647) 4.367 3.194 ( -3.027 0.000 -3.036) 4.287 3.211 ( 0.641 0.000 0.089) 0.647 3.343 ( -0.280 0.000 2.102) 2.120 3.348 ( -2.403 0.000 6.428) 6.862 3.521 ( -2.560 0.000 1.816) 3.138 3.541 ( -0.310 0.000 -0.613) 0.687 3.700 ( 3.231 0.000 4.415) 5.471 3.721 ( -2.388 0.000 1.226) 2.684 3.743 ( 0.675 0.000 -6.457) 6.492 3.948 ( 1.692 0.000 -5.078) 5.352 3.954 ( 8.818 0.000 6.346) 10.864 4.128 ( -1.654 0.000 -4.238) 4.549 4.131 ( 1.831 0.000 -3.759) 4.181 4.365 ( -2.235 0.000 3.236) 3.933 4.379 ( -4.990 0.000 2.992) 5.818 4.541 ( -0.085 0.000 1.131) 1.134 4.544 ( -1.934 0.000 -0.657) 2.042 4.554 ( 0.567 0.000 -2.111) 2.186 4.573 ( 0.032 0.000 1.480) 1.480 4.646 ( -1.784 0.000 -2.281) 2.896 4.717 ( -1.784 0.000 -0.752) 1.936 4.734 ( -1.098 0.000 1.143) 1.585 4.753 ( -2.576 0.000 0.195) 2.583 4.945 ( 1.662 0.000 -2.097) 2.676 4.996 ( 2.096 0.000 3.761) 4.306 5.091 ( -1.830 0.000 3.706) 4.133 5.095 ( -1.438 0.000 -5.682) 5.862 5.125 ( 2.102 0.000 -6.977) 7.287 5.260 ( -1.054 0.000 -2.082) 2.334 5.317 ( -1.615 0.000 0.162) 1.623 5.361 ( 0.258 0.000 -1.437) 1.460 5.520 ( -0.579 0.000 4.272) 4.311 5.685 ( -1.720 0.000 -3.996) 4.350 5.809 ( 1.497 0.000 2.818) 3.191 5.911 ( 0.397 0.000 3.781) 3.802 5.920 ( -5.210 0.000 -3.935) 6.529 5.976 ( -2.975 0.000 -2.403) 3.824 6.087 ( -1.053 0.000 2.302) 2.531 6.206 ( -2.250 0.000 -3.878) 4.483 6.548 ( -3.878 0.000 5.195) 6.483 6.659 ( 1.749 0.000 -1.140) 2.088 6.809 ( -4.105 0.000 6.335) 7.549 7.044 ( -0.852 0.000 0.052) 0.854 7.064 ( -3.596 0.000 5.795) 6.820 7.157 ( 1.548 0.000 5.515) 5.728 7.306 ( -1.318 0.000 -1.377) 1.906 7.313 ( 0.194 0.000 1.204) 1.220 7.390 ( -3.768 0.000 0.473) 3.798 7.419 ( -1.167 0.000 0.369) 1.224 7.603 ( -2.004 0.000 -0.679) 2.116 7.616 ( -2.971 0.000 2.920) 4.166 7.748 ( -2.810 0.000 -3.305) 4.338 7.794 ( -5.060 0.000 -1.601) 5.307 7.816 ( 1.904 0.000 3.021) 3.571 7.882 ( 7.278 0.000 -3.972) 8.292 8.172 ( 3.837 0.000 6.804) 7.811 8.250 ( -3.494 0.000 -0.625) 3.550 8.380 ( -10.218 0.000 -7.081) 12.432 8.391 ( -0.931 0.000 4.478) 4.573 8.460 ( 3.340 0.000 -2.733) 4.316 8.485 ( 3.372 0.000 1.023) 3.523 8.575 ( 0.801 0.000 3.833) 3.916 8.675 ( -1.069 0.000 -2.422) 2.647 8.700 ( 2.634 0.000 0.460) 2.674 8.716 ( -5.803 0.000 -6.012) 8.356 8.781 ( -3.411 0.000 -0.465) 3.443 8.920 ( -1.232 0.000 -1.915) 2.277 9.021 ( 4.207 0.000 -0.122) 4.209 9.167 ( 1.313 0.000 -2.944) 3.223 9.251 ( 0.324 0.000 3.016) 3.033 9.291 ( -1.453 0.000 -0.028) 1.453 9.329 ( -3.191 0.000 3.419) 4.677 9.435 ( 2.191 0.000 0.929) 2.380 9.476 ( 0.259 0.000 -0.856) 0.894 9.488 ( 4.281 0.000 0.884) 4.371 9.522 ( -0.822 0.000 -0.381) 0.906 9.661 ( 5.034 0.000 -1.377) 5.219 9.700 ( 2.175 0.000 2.559) 3.358 9.732 ( 0.276 0.000 2.024) 2.043 9.775 ( 0.961 0.000 -1.570) 1.841 10.032 ( 6.294 0.000 -9.873) 11.708 10.038 ( -0.268 0.000 -1.762) 1.782 10.039 ( 0.455 0.000 -1.207) 1.290 10.380 ( -0.723 0.000 2.663) 2.759 10.516 ( 1.465 0.000 -1.788) 2.312 10.842 ( 3.448 0.000 4.702) 5.831 10.905 ( -6.453 0.000 -4.764) 8.021 11.099 ( -2.864 0.000 9.741) 10.154 11.310 ( -10.647 0.000 -0.236) 10.649 11.539 ( 6.966 0.000 11.704) 13.620 11.565 ( -1.310 0.000 5.708) 5.856 11.807 ( 12.059 0.000 -10.471) 15.971 12.260 ( 6.304 0.000 -14.293) 15.622 13.010 ( 0.398 0.000 2.204) 2.239 13.052 ( -0.655 0.000 -0.130) 0.667 13.071 ( 0.997 0.000 2.085) 2.311 13.092 ( -0.608 0.000 0.030) 0.609 ======================= Grid point 96 (49/84) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -19.577 0.000 -5.445) 20.321 1.063 ( 11.062 0.000 -13.706) 17.613 1.321 ( -9.327 0.000 5.482) 10.819 1.380 ( 16.370 0.000 -6.567) 17.639 1.528 ( 5.588 0.000 -3.821) 6.769 1.667 ( -1.450 0.000 6.759) 6.913 1.929 ( -1.049 0.000 -0.391) 1.119 1.956 ( -8.522 0.000 -7.525) 11.369 1.961 ( -13.796 0.000 0.982) 13.831 2.101 ( 1.477 0.000 -2.978) 3.325 2.125 ( 4.777 0.000 -6.859) 8.358 2.223 ( 1.604 0.000 -9.322) 9.459 2.387 ( 0.867 0.000 -2.518) 2.663 2.417 ( 5.541 0.000 2.373) 6.028 2.517 ( -8.888 0.000 8.821) 12.522 2.606 ( 5.167 0.000 0.942) 5.252 2.621 ( -3.826 0.000 1.978) 4.307 2.653 ( 6.794 0.000 4.624) 8.218 2.688 ( -2.044 0.000 -1.689) 2.651 2.815 ( 3.935 0.000 5.005) 6.367 2.861 ( 9.538 0.000 2.324) 9.817 3.090 ( 7.499 0.000 4.150) 8.571 3.096 ( 0.851 0.000 -9.053) 9.093 3.110 ( 4.142 0.000 -0.588) 4.184 3.221 ( 1.921 0.000 0.251) 1.938 3.330 ( -1.068 0.000 2.967) 3.153 3.343 ( 0.747 0.000 2.282) 2.401 3.464 ( -2.594 0.000 4.493) 5.188 3.520 ( -2.200 0.000 1.783) 2.832 3.668 ( -4.660 0.000 3.043) 5.565 3.718 ( 0.492 0.000 -3.148) 3.186 3.810 ( 6.652 0.000 3.923) 7.723 3.970 ( -2.079 0.000 -10.688) 10.888 4.017 ( -0.219 0.000 3.020) 3.028 4.144 ( 4.547 0.000 -3.808) 5.930 4.145 ( -0.813 0.000 -1.909) 2.075 4.300 ( -4.094 0.000 3.671) 5.499 4.336 ( 0.341 0.000 0.084) 0.351 4.495 ( -2.299 0.000 -0.474) 2.347 4.542 ( -1.705 0.000 -1.041) 1.998 4.561 ( 0.425 0.000 -3.186) 3.214 4.573 ( -0.698 0.000 0.954) 1.182 4.594 ( -2.831 0.000 -2.555) 3.814 4.647 ( -5.023 0.000 -0.371) 5.036 4.693 ( -3.276 0.000 4.423) 5.504 4.730 ( 0.646 0.000 -0.020) 0.646 4.948 ( -1.665 0.000 -0.521) 1.745 5.023 ( 0.098 0.000 5.607) 5.608 5.053 ( -1.414 0.000 1.532) 2.085 5.071 ( -0.810 0.000 -4.214) 4.291 5.150 ( 0.661 0.000 -6.987) 7.019 5.230 ( -2.196 0.000 -2.545) 3.361 5.281 ( -1.794 0.000 0.741) 1.941 5.346 ( -1.462 0.000 -1.228) 1.910 5.496 ( -2.062 0.000 4.368) 4.830 5.648 ( -1.978 0.000 -3.542) 4.057 5.779 ( -4.164 0.000 1.145) 4.318 5.790 ( -7.636 0.000 -5.307) 9.299 5.886 ( -6.013 0.000 -2.447) 6.492 5.890 ( -3.659 0.000 4.302) 5.647 6.061 ( -1.540 0.000 3.231) 3.579 6.175 ( -0.370 0.000 -2.848) 2.872 6.481 ( -3.019 0.000 6.042) 6.755 6.697 ( 1.709 0.000 0.256) 1.728 6.736 ( -3.524 0.000 6.411) 7.316 6.995 ( -3.922 0.000 -0.819) 4.007 7.004 ( -2.084 0.000 4.779) 5.213 7.169 ( -0.466 0.000 5.216) 5.237 7.244 ( -4.919 0.000 0.446) 4.939 7.285 ( -4.710 0.000 -3.412) 5.816 7.296 ( -3.478 0.000 4.199) 5.452 7.400 ( -1.119 0.000 1.034) 1.523 7.504 ( -6.355 0.000 1.128) 6.455 7.586 ( -1.651 0.000 -2.089) 2.663 7.597 ( -7.931 0.000 -3.283) 8.584 7.762 ( -2.349 0.000 -1.273) 2.671 7.825 ( -1.456 0.000 6.598) 6.757 7.958 ( -2.098 0.000 -4.517) 4.981 8.079 ( -9.206 0.000 -8.604) 12.601 8.164 ( -4.569 0.000 2.237) 5.087 8.263 ( -3.101 0.000 -4.028) 5.084 8.305 ( -4.373 0.000 -1.086) 4.506 8.465 ( -9.590 0.000 0.950) 9.637 8.509 ( -4.851 0.000 -4.729) 6.774 8.568 ( 1.506 0.000 0.834) 1.721 8.585 ( 3.877 0.000 5.949) 7.101 8.688 ( 3.979 0.000 0.564) 4.018 8.770 ( 4.035 0.000 -0.873) 4.129 8.893 ( 7.294 0.000 3.498) 8.089 8.913 ( 0.963 0.000 3.591) 3.717 9.027 ( -1.258 0.000 -3.472) 3.693 9.204 ( 1.487 0.000 -6.387) 6.558 9.220 ( -2.992 0.000 1.890) 3.539 9.301 ( 2.767 0.000 1.994) 3.411 9.358 ( 3.465 0.000 2.178) 4.093 9.440 ( -1.431 0.000 0.108) 1.435 9.533 ( 5.394 0.000 2.854) 6.102 9.538 ( 2.518 0.000 1.736) 3.058 9.606 ( 5.663 0.000 1.700) 5.912 9.692 ( -0.545 0.000 -0.621) 0.826 9.735 ( 2.705 0.000 0.415) 2.736 9.772 ( 3.459 0.000 4.742) 5.869 9.848 ( 4.683 0.000 -3.187) 5.665 10.049 ( 1.586 0.000 -0.824) 1.788 10.071 ( 3.070 0.000 -1.976) 3.651 10.150 ( 5.137 0.000 -14.853) 15.716 10.394 ( 2.027 0.000 1.241) 2.377 10.523 ( -0.273 0.000 0.035) 0.275 10.765 ( -7.527 0.000 -5.437) 9.285 10.834 ( -2.669 0.000 5.560) 6.167 11.103 ( -10.607 0.000 -1.099) 10.664 11.180 ( 8.819 0.000 9.966) 13.308 11.420 ( -7.113 0.000 8.220) 10.870 11.850 ( 17.962 0.000 7.830) 19.594 12.080 ( 14.826 0.000 -9.506) 17.612 12.393 ( 8.484 0.000 -12.613) 15.201 13.021 ( 0.604 0.000 2.448) 2.522 13.039 ( -0.492 0.000 0.714) 0.867 13.090 ( 0.490 0.000 -0.261) 0.555 13.090 ( 0.932 0.000 2.415) 2.589 ======================= Grid point 97 (50/84) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -11.824 0.000 7.963) 14.256 1.126 ( -12.853 0.000 6.996) 14.634 1.232 ( 6.829 0.000 -11.145) 13.071 1.556 ( 10.524 0.000 1.010) 10.572 1.634 ( -0.097 0.000 -2.198) 2.200 1.713 ( -9.830 0.000 -0.026) 9.830 1.741 ( -2.240 0.000 -9.517) 9.777 1.955 ( 17.205 0.000 -5.826) 18.164 1.991 ( 2.539 0.000 4.467) 5.139 2.058 ( -1.218 0.000 -0.339) 1.264 2.217 ( 3.598 0.000 -4.736) 5.947 2.241 ( -4.749 0.000 -4.096) 6.272 2.331 ( -8.083 0.000 4.600) 9.300 2.423 ( 3.532 0.000 3.912) 5.271 2.465 ( -0.061 0.000 -0.499) 0.503 2.516 ( -4.633 0.000 -3.828) 6.010 2.603 ( -5.991 0.000 10.054) 11.703 2.619 ( 0.943 0.000 -0.948) 1.337 2.778 ( 4.193 0.000 0.786) 4.266 2.928 ( 6.145 0.000 -1.356) 6.293 2.966 ( -4.765 0.000 -7.720) 9.072 3.077 ( 7.434 0.000 -1.894) 7.671 3.176 ( 0.625 0.000 1.218) 1.369 3.258 ( 2.101 0.000 -1.625) 2.656 3.287 ( 3.807 0.000 2.939) 4.809 3.324 ( 2.319 0.000 -5.764) 6.213 3.394 ( 1.833 0.000 2.181) 2.849 3.438 ( -0.675 0.000 4.907) 4.953 3.457 ( -4.213 0.000 3.919) 5.754 3.576 ( -0.970 0.000 0.880) 1.310 3.804 ( 7.085 0.000 1.442) 7.230 3.878 ( -6.441 0.000 -11.118) 12.849 3.911 ( 3.020 0.000 -0.411) 3.047 4.006 ( -1.137 0.000 0.590) 1.281 4.106 ( -1.880 0.000 2.217) 2.907 4.225 ( -2.376 0.000 0.593) 2.449 4.247 ( 3.638 0.000 6.257) 7.238 4.397 ( 5.069 0.000 0.904) 5.149 4.476 ( -3.258 0.000 -5.936) 6.771 4.478 ( 0.484 0.000 -0.378) 0.614 4.518 ( -5.331 0.000 -0.083) 5.331 4.532 ( -2.273 0.000 -7.219) 7.569 4.557 ( -2.991 0.000 0.592) 3.049 4.576 ( 0.147 0.000 0.549) 0.568 4.623 ( -3.546 0.000 3.448) 4.946 4.741 ( -0.679 0.000 -1.225) 1.401 4.892 ( -3.465 0.000 3.653) 5.035 5.003 ( -1.210 0.000 -0.335) 1.256 5.047 ( -0.097 0.000 3.603) 3.604 5.063 ( -0.276 0.000 -1.561) 1.585 5.147 ( -1.115 0.000 -4.562) 4.697 5.165 ( -4.215 0.000 -3.778) 5.661 5.255 ( -0.980 0.000 1.067) 1.448 5.320 ( -1.108 0.000 -1.208) 1.639 5.446 ( -2.990 0.000 4.519) 5.419 5.606 ( -2.604 0.000 -1.387) 2.950 5.648 ( -6.492 0.000 -4.728) 8.031 5.682 ( -4.890 0.000 -2.244) 5.381 5.762 ( -6.331 0.000 -2.253) 6.720 5.775 ( -7.417 0.000 2.225) 7.744 6.033 ( -1.396 0.000 4.062) 4.295 6.186 ( 1.030 0.000 -1.922) 2.180 6.447 ( -0.224 0.000 4.546) 4.552 6.671 ( -3.394 0.000 6.945) 7.730 6.708 ( -0.907 0.000 1.012) 1.359 6.907 ( -4.828 0.000 -1.935) 5.202 7.013 ( 3.073 0.000 4.723) 5.635 7.134 ( -4.920 0.000 -1.075) 5.036 7.143 ( -2.823 0.000 3.878) 4.796 7.190 ( -4.082 0.000 1.328) 4.293 7.231 ( -3.701 0.000 -3.563) 5.137 7.374 ( -1.909 0.000 1.903) 2.695 7.381 ( -5.934 0.000 2.006) 6.264 7.467 ( -5.653 0.000 -2.862) 6.336 7.533 ( -4.324 0.000 -1.684) 4.641 7.692 ( -4.581 0.000 -0.809) 4.652 7.768 ( -4.316 0.000 6.907) 8.144 7.789 ( -9.977 0.000 -6.600) 11.962 7.991 ( -2.976 0.000 -5.714) 6.443 8.026 ( -8.416 0.000 -3.115) 8.974 8.217 ( -1.809 0.000 -3.976) 4.369 8.255 ( -1.583 0.000 2.269) 2.766 8.264 ( -9.468 0.000 -0.198) 9.470 8.453 ( -0.431 0.000 -5.974) 5.990 8.609 ( 1.567 0.000 3.030) 3.411 8.670 ( 4.161 0.000 7.366) 8.460 8.780 ( 4.656 0.000 1.058) 4.775 8.823 ( 1.560 0.000 -0.279) 1.585 8.940 ( 0.917 0.000 3.391) 3.513 8.992 ( 2.755 0.000 1.761) 3.269 9.046 ( 3.713 0.000 -1.395) 3.967 9.182 ( -0.624 0.000 2.168) 2.256 9.210 ( -0.169 0.000 -5.485) 5.487 9.343 ( -0.852 0.000 0.177) 0.870 9.405 ( 1.709 0.000 0.374) 1.749 9.426 ( 1.502 0.000 -0.849) 1.725 9.608 ( 3.730 0.000 6.814) 7.768 9.630 ( 2.010 0.000 1.899) 2.765 9.672 ( 3.536 0.000 0.822) 3.631 9.684 ( 1.509 0.000 2.849) 3.224 9.817 ( 1.784 0.000 2.021) 2.696 9.860 ( 7.985 0.000 3.946) 8.907 9.916 ( 2.539 0.000 -5.407) 5.974 10.095 ( 2.722 0.000 -0.021) 2.722 10.152 ( 4.739 0.000 -2.739) 5.474 10.205 ( 1.408 0.000 -13.341) 13.416 10.438 ( 1.269 0.000 0.723) 1.461 10.518 ( -0.212 0.000 0.250) 0.328 10.622 ( -6.442 0.000 -5.179) 8.266 10.803 ( -0.578 0.000 1.914) 1.999 10.920 ( -7.802 0.000 -0.229) 7.806 11.170 ( -9.609 0.000 6.067) 11.364 11.482 ( 11.966 0.000 9.174) 15.078 12.200 ( 17.295 0.000 9.932) 19.944 12.293 ( 6.836 0.000 -12.424) 14.181 12.618 ( 14.484 0.000 -9.047) 17.077 13.033 ( 0.549 0.000 2.721) 2.776 13.046 ( 1.663 0.000 1.792) 2.444 13.107 ( 0.726 0.000 2.964) 3.052 13.112 ( 1.883 0.000 -0.208) 1.895 ======================= Grid point 98 (51/84) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 9.389 0.000 21.911) 23.838 0.887 ( -9.987 0.000 15.448) 18.395 1.390 ( 7.540 0.000 -9.078) 11.801 1.402 ( -16.441 0.000 5.437) 17.316 1.597 ( 0.573 0.000 -4.140) 4.179 1.731 ( -4.184 0.000 -6.346) 7.601 1.828 ( 13.991 0.000 -6.235) 15.318 1.982 ( -2.400 0.000 12.543) 12.771 2.044 ( -7.389 0.000 0.489) 7.406 2.138 ( -2.775 0.000 5.337) 6.016 2.187 ( 1.602 0.000 -7.125) 7.303 2.269 ( 4.568 0.000 -9.011) 10.102 2.281 ( 7.990 0.000 -2.446) 8.356 2.415 ( -2.792 0.000 5.419) 6.096 2.465 ( 0.328 0.000 -3.035) 3.052 2.505 ( -0.525 0.000 -0.458) 0.697 2.627 ( 10.913 0.000 5.936) 12.423 2.641 ( 1.252 0.000 -9.125) 9.211 2.813 ( -0.160 0.000 0.952) 0.965 2.895 ( -4.513 0.000 -2.790) 5.306 3.006 ( -0.078 0.000 -4.297) 4.298 3.104 ( -5.170 0.000 -6.135) 8.022 3.153 ( 0.145 0.000 2.828) 2.831 3.209 ( -1.028 0.000 -2.467) 2.672 3.256 ( -7.431 0.000 0.720) 7.466 3.372 ( -2.793 0.000 1.953) 3.408 3.387 ( 1.879 0.000 -4.192) 4.594 3.461 ( 1.253 0.000 -2.496) 2.793 3.494 ( 6.232 0.000 2.608) 6.756 3.583 ( 1.225 0.000 1.677) 2.077 3.751 ( -4.788 0.000 -4.131) 6.323 3.867 ( -5.740 0.000 -0.295) 5.747 3.951 ( 6.052 0.000 2.319) 6.481 4.006 ( 1.247 0.000 0.828) 1.497 4.117 ( 1.732 0.000 2.466) 3.014 4.164 ( -3.635 0.000 0.509) 3.670 4.286 ( -0.433 0.000 6.485) 6.500 4.379 ( -3.574 0.000 -2.470) 4.345 4.429 ( -2.946 0.000 0.043) 2.946 4.442 ( -3.701 0.000 5.013) 6.232 4.481 ( -1.414 0.000 -8.200) 8.321 4.554 ( 4.906 0.000 -2.103) 5.338 4.556 ( -0.525 0.000 2.913) 2.960 4.605 ( 3.299 0.000 -0.338) 3.316 4.614 ( 5.231 0.000 -1.623) 5.477 4.714 ( -0.527 0.000 -1.449) 1.542 4.833 ( -2.640 0.000 3.559) 4.431 4.991 ( -0.230 0.000 1.632) 1.648 5.018 ( -4.854 0.000 -2.998) 5.705 5.049 ( 0.578 0.000 0.990) 1.147 5.083 ( -3.846 0.000 -1.251) 4.044 5.136 ( 1.025 0.000 -2.152) 2.383 5.242 ( -0.263 0.000 0.109) 0.284 5.298 ( -1.306 0.000 -1.259) 1.814 5.397 ( -1.849 0.000 4.865) 5.204 5.534 ( -4.308 0.000 0.313) 4.319 5.556 ( -2.687 0.000 -3.378) 4.316 5.612 ( -3.256 0.000 -0.259) 3.266 5.658 ( -4.136 0.000 -2.073) 4.627 5.659 ( -2.867 0.000 -4.850) 5.634 6.010 ( -1.012 0.000 4.736) 4.843 6.205 ( 1.049 0.000 -1.615) 1.926 6.478 ( 2.920 0.000 1.938) 3.505 6.625 ( -0.958 0.000 5.487) 5.570 6.660 ( -3.602 0.000 1.775) 4.016 6.826 ( -3.085 0.000 -3.473) 4.646 7.064 ( -2.852 0.000 -3.742) 4.705 7.085 ( 0.967 0.000 2.762) 2.926 7.096 ( -0.915 0.000 2.448) 2.613 7.134 ( -1.881 0.000 2.856) 3.420 7.178 ( 0.525 0.000 -5.005) 5.032 7.289 ( -3.521 0.000 1.416) 3.795 7.298 ( -5.452 0.000 -0.295) 5.460 7.397 ( -1.963 0.000 0.242) 1.978 7.418 ( -6.208 0.000 -0.228) 6.212 7.596 ( -5.147 0.000 -2.458) 5.703 7.651 ( -3.584 0.000 -3.685) 5.141 7.679 ( -4.734 0.000 4.938) 6.841 7.868 ( -7.659 0.000 -0.028) 7.659 7.953 ( -0.635 0.000 -3.370) 3.429 8.120 ( -5.202 0.000 2.393) 5.726 8.194 ( -0.363 0.000 -3.666) 3.684 8.235 ( -0.725 0.000 2.023) 2.149 8.456 ( 0.123 0.000 -6.609) 6.610 8.629 ( 0.693 0.000 3.558) 3.625 8.739 ( 2.569 0.000 7.306) 7.744 8.847 ( 1.272 0.000 0.055) 1.273 8.849 ( 2.216 0.000 -1.159) 2.500 8.943 ( -0.615 0.000 3.593) 3.645 9.012 ( -0.079 0.000 -0.153) 0.172 9.126 ( 3.086 0.000 0.349) 3.106 9.197 ( 2.174 0.000 2.610) 3.396 9.212 ( 0.738 0.000 -3.797) 3.868 9.292 ( -3.243 0.000 0.942) 3.377 9.436 ( 1.410 0.000 -0.545) 1.512 9.455 ( 0.600 0.000 -2.393) 2.467 9.625 ( -0.190 0.000 1.773) 1.784 9.656 ( 1.442 0.000 5.471) 5.658 9.728 ( 1.210 0.000 4.041) 4.219 9.781 ( 5.000 0.000 2.313) 5.509 9.835 ( 2.287 0.000 3.077) 3.834 9.955 ( 1.969 0.000 -5.630) 5.965 10.012 ( 5.318 0.000 -1.686) 5.579 10.123 ( -0.273 0.000 -5.075) 5.082 10.219 ( 2.504 0.000 -0.435) 2.542 10.236 ( 2.781 0.000 -4.047) 4.911 10.388 ( -3.895 0.000 1.710) 4.254 10.514 ( -0.168 0.000 -2.224) 2.231 10.594 ( 3.267 0.000 -2.937) 4.393 10.781 ( -3.320 0.000 2.056) 3.905 10.817 ( -3.072 0.000 0.576) 3.126 10.991 ( -7.018 0.000 -2.714) 7.524 11.701 ( 9.260 0.000 11.806) 15.004 12.361 ( 0.776 0.000 -12.471) 12.495 12.478 ( 10.450 0.000 10.938) 15.128 12.841 ( 6.982 0.000 -7.514) 10.257 13.042 ( 0.298 0.000 2.915) 2.930 13.096 ( 2.049 0.000 0.107) 2.052 13.118 ( 0.265 0.000 3.968) 3.977 13.200 ( 8.270 0.000 -1.068) 8.339 ======================= Grid point 99 (52/84) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 2.051 4.102 15.493) 16.158 1.091 ( -1.652 10.348 21.925) 24.300 1.243 ( 0.980 -10.768 -7.392) 13.098 1.383 ( -1.380 20.470 7.959) 22.006 1.628 ( 1.706 -10.345 5.367) 11.778 1.765 ( 2.440 3.496 -5.033) 6.596 1.897 ( 1.090 -1.072 -7.010) 7.174 1.940 ( -2.684 -3.721 -6.117) 7.646 2.034 ( 3.501 7.260 -2.638) 8.481 2.142 ( 1.243 -4.906 -1.768) 5.361 2.181 ( -4.085 3.691 -0.624) 5.540 2.230 ( 3.261 7.146 -2.799) 8.338 2.354 ( -1.091 -1.293 -7.751) 7.934 2.433 ( -2.527 -4.951 0.358) 5.570 2.499 ( 3.056 -2.462 3.661) 5.367 2.565 ( 1.521 2.716 -2.756) 4.157 2.693 ( -2.259 1.195 -3.306) 4.179 2.717 ( -4.509 -1.106 3.082) 5.573 2.790 ( 1.690 -3.873 -0.623) 4.272 2.851 ( 3.661 -1.067 5.792) 6.935 2.929 ( -0.243 0.894 -2.455) 2.624 3.028 ( -5.573 4.439 -2.386) 7.514 3.100 ( -3.349 1.711 4.349) 5.749 3.164 ( 0.052 0.561 1.475) 1.579 3.268 ( 0.638 2.366 -1.385) 2.815 3.314 ( 2.996 -7.075 1.127) 7.765 3.343 ( -0.790 -5.711 -4.296) 7.190 3.365 ( -1.467 -2.891 0.060) 3.242 3.460 ( -1.237 -1.410 -5.744) 6.042 3.617 ( -2.154 -4.720 -2.768) 5.881 3.771 ( -0.320 -0.164 2.140) 2.170 3.792 ( 1.875 0.633 0.134) 1.983 3.924 ( 3.482 -2.518 1.807) 4.662 4.018 ( -2.873 -3.654 -2.798) 5.426 4.140 ( -0.777 3.419 0.414) 3.530 4.175 ( -0.065 2.932 0.101) 2.934 4.276 ( -2.200 -0.595 2.132) 3.120 4.294 ( 1.301 -2.789 -0.922) 3.213 4.369 ( -0.991 2.670 0.439) 2.882 4.425 ( 5.049 -0.437 1.410) 5.260 4.536 ( -0.740 1.635 -1.512) 2.347 4.557 ( -0.211 0.874 0.420) 0.992 4.636 ( -0.890 -0.733 0.966) 1.505 4.668 ( 0.482 5.579 -0.831) 5.661 4.673 ( 1.809 -1.117 1.053) 2.373 4.756 ( 1.903 -0.800 0.433) 2.109 4.806 ( 1.391 -0.605 2.013) 2.520 4.886 ( -0.888 -2.317 -0.451) 2.523 5.038 ( 0.754 2.593 -2.927) 3.983 5.068 ( -1.557 3.473 0.416) 3.829 5.111 ( 0.461 3.824 0.040) 3.852 5.162 ( 0.843 -1.117 -2.518) 2.881 5.239 ( -1.025 -0.618 1.212) 1.703 5.265 ( -0.879 -0.697 1.135) 1.596 5.390 ( 0.387 1.291 1.062) 1.716 5.474 ( -1.563 1.073 0.898) 2.098 5.534 ( 0.091 -1.625 -2.042) 2.612 5.579 ( -0.698 -1.465 -3.154) 3.547 5.614 ( 1.643 -0.903 -4.440) 4.820 5.628 ( 0.430 0.248 -3.863) 3.895 6.043 ( -0.242 4.405 3.576) 5.678 6.199 ( 0.964 -2.357 -1.386) 2.899 6.536 ( 2.204 0.610 2.883) 3.680 6.596 ( 1.635 -1.053 -0.421) 1.990 6.681 ( 0.777 3.273 3.525) 4.873 6.797 ( 0.192 -0.782 -0.217) 0.835 6.975 ( -2.708 -1.712 -2.867) 4.300 6.995 ( -5.021 -1.248 -4.613) 6.932 7.131 ( 0.198 0.677 2.221) 2.331 7.143 ( 3.334 1.487 -0.120) 3.653 7.192 ( -0.976 -1.242 0.869) 1.803 7.204 ( 0.007 -1.301 -0.877) 1.569 7.293 ( 1.182 1.147 0.647) 1.769 7.365 ( 0.394 -1.390 0.255) 1.467 7.407 ( 3.091 1.818 -0.320) 3.600 7.503 ( -1.947 -1.748 -3.374) 4.270 7.595 ( -4.165 0.586 4.350) 6.051 7.654 ( 0.195 0.358 1.641) 1.691 7.728 ( -2.863 -0.040 3.804) 4.761 7.903 ( 1.335 -4.674 -1.703) 5.151 8.069 ( -1.044 0.915 5.191) 5.373 8.164 ( 1.570 -3.593 -0.528) 3.956 8.308 ( 0.428 5.588 -3.358) 6.534 8.438 ( -0.773 -0.921 -6.738) 6.844 8.685 ( 0.776 3.966 4.200) 5.828 8.796 ( 0.125 2.668 4.609) 5.327 8.828 ( 0.173 -2.055 0.391) 2.099 8.873 ( -1.433 -1.185 1.982) 2.718 8.940 ( -0.387 2.109 1.401) 2.561 9.005 ( -0.450 -0.069 0.408) 0.611 9.090 ( -1.051 -4.263 0.460) 4.415 9.139 ( 2.198 -5.089 -1.861) 5.847 9.273 ( -0.617 1.466 2.619) 3.064 9.308 ( 1.557 1.304 1.556) 2.559 9.444 ( -1.388 0.666 -1.307) 2.020 9.457 ( -0.364 0.420 -2.139) 2.210 9.608 ( 0.143 -1.943 3.722) 4.202 9.652 ( -1.064 -1.905 2.726) 3.492 9.742 ( -1.015 -2.701 -0.795) 2.993 9.764 ( 1.328 -2.785 0.082) 3.086 9.821 ( -1.339 1.878 6.392) 6.795 9.901 ( 1.131 -3.861 0.978) 4.140 10.057 ( 1.678 -1.317 -5.861) 6.238 10.195 ( -3.213 5.761 -3.001) 7.247 10.217 ( 7.322 -3.928 -2.707) 8.739 10.364 ( 1.601 1.471 -0.120) 2.177 10.375 ( -2.977 1.022 -4.846) 5.779 10.492 ( 0.847 -2.539 -6.146) 6.703 10.719 ( -3.149 4.560 3.270) 6.434 10.768 ( 5.263 2.967 1.498) 6.224 10.820 ( 1.789 3.093 -1.545) 3.893 10.912 ( -0.913 -0.980 -6.235) 6.377 11.849 ( 2.121 3.410 12.234) 12.876 12.155 ( -2.857 -10.908 0.918) 11.313 12.692 ( -1.532 6.525 -0.376) 6.713 12.860 ( -0.578 -3.331 -5.346) 6.325 13.065 ( -0.091 1.539 2.935) 3.315 13.104 ( -0.714 -0.447 3.153) 3.264 13.168 ( 0.215 4.638 0.426) 4.662 13.311 ( 0.151 -0.896 -4.407) 4.500 ======================= Grid point 100 (53/84) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -3.956 10.406 14.826) 18.540 1.061 ( 6.769 8.473 14.242) 17.901 1.310 ( 4.941 -9.816 -7.530) 13.322 1.482 ( 4.283 7.174 2.340) 8.677 1.608 ( -2.695 -5.369 5.679) 8.267 1.834 ( 4.301 8.462 -8.603) 12.811 1.879 ( 0.456 -2.943 -5.413) 6.179 1.915 ( -4.269 1.095 -10.791) 11.656 2.010 ( -2.907 3.015 -0.918) 4.287 2.155 ( -3.462 -7.740 -6.177) 10.490 2.179 ( 2.612 3.769 3.580) 5.818 2.244 ( -4.525 3.763 4.854) 7.629 2.314 ( 3.481 -0.104 -2.858) 4.506 2.393 ( 0.325 -1.715 0.157) 1.752 2.525 ( -6.135 -0.294 -1.530) 6.330 2.588 ( 1.480 0.168 -1.696) 2.257 2.621 ( -2.780 0.376 -1.195) 3.049 2.658 ( 3.105 3.993 3.003) 5.882 2.754 ( -1.509 1.939 0.737) 2.565 2.884 ( -2.068 -6.631 -0.829) 6.995 2.923 ( -3.567 3.522 -1.195) 5.153 2.980 ( -0.407 -1.760 3.701) 4.118 3.086 ( 3.886 1.966 0.647) 4.402 3.228 ( 1.120 -0.516 -0.324) 1.275 3.255 ( -3.099 -0.278 2.677) 4.104 3.298 ( 0.104 2.130 -2.134) 3.017 3.372 ( 2.903 -7.018 6.425) 9.948 3.394 ( 5.770 -4.384 -3.964) 8.259 3.480 ( 1.608 -4.580 0.440) 4.874 3.582 ( -1.813 -2.064 -2.251) 3.552 3.728 ( -1.759 -0.803 -1.021) 2.187 3.822 ( -0.820 -1.755 1.758) 2.616 3.921 ( -4.325 -0.066 -2.359) 4.927 4.039 ( 4.282 -4.364 0.589) 6.143 4.140 ( 1.397 4.028 -0.626) 4.309 4.203 ( 1.655 2.171 0.912) 2.878 4.226 ( -1.624 -0.302 0.453) 1.713 4.349 ( 4.043 -1.704 -0.380) 4.403 4.369 ( 0.753 5.103 -1.748) 5.447 4.494 ( -1.571 -1.136 2.825) 3.426 4.523 ( 0.240 -1.079 -1.521) 1.880 4.544 ( 0.579 -0.762 -0.361) 1.023 4.580 ( -2.839 -0.732 -2.010) 3.555 4.688 ( -1.646 -0.069 -0.314) 1.677 4.691 ( 2.228 5.450 -0.925) 5.960 4.795 ( 3.586 -0.927 -2.412) 4.420 4.860 ( 2.380 -2.262 2.587) 4.180 4.923 ( 3.026 -0.152 0.445) 3.062 5.023 ( -1.508 4.248 0.434) 4.528 5.061 ( -0.583 2.062 -2.587) 3.359 5.124 ( 1.328 4.396 0.047) 4.592 5.162 ( -0.168 -1.467 -3.650) 3.937 5.221 ( 0.174 -2.296 2.343) 3.285 5.259 ( 0.631 -0.997 2.218) 2.512 5.414 ( 1.921 1.814 0.349) 2.665 5.478 ( 1.872 1.526 1.222) 2.706 5.560 ( 2.945 -2.382 -0.266) 3.797 5.597 ( 2.188 -3.522 -5.374) 6.788 5.677 ( 4.974 1.077 -3.919) 6.423 5.696 ( 6.560 0.530 -2.074) 6.900 6.037 ( -0.183 4.303 3.180) 5.354 6.208 ( 0.261 -2.759 -2.180) 3.525 6.573 ( 1.819 0.196 0.018) 1.830 6.631 ( 2.333 -0.671 0.818) 2.562 6.747 ( 5.219 2.608 4.082) 7.121 6.845 ( 4.472 0.171 1.388) 4.685 6.947 ( -0.215 -1.519 -1.753) 2.330 6.959 ( 1.057 -1.045 -3.420) 3.729 7.151 ( 1.333 -0.227 -0.629) 1.491 7.174 ( 0.703 -1.307 2.111) 2.580 7.233 ( 3.915 1.491 -0.231) 4.195 7.241 ( 3.546 3.264 0.657) 4.864 7.334 ( 3.777 -1.980 1.286) 4.454 7.416 ( 5.052 -1.105 -0.621) 5.209 7.492 ( 3.421 -0.522 -1.933) 3.964 7.499 ( 1.567 -0.394 -4.331) 4.622 7.536 ( -1.518 1.733 5.537) 5.997 7.669 ( 2.496 -4.534 5.485) 7.541 7.750 ( 4.466 3.444 0.447) 5.657 7.939 ( 2.299 -4.294 -0.001) 4.871 8.071 ( 1.040 1.594 5.252) 5.586 8.218 ( 3.931 -5.152 -1.224) 6.595 8.315 ( 0.398 5.001 -4.412) 6.681 8.414 ( -1.211 -0.367 -6.399) 6.523 8.697 ( 0.202 3.456 4.720) 5.854 8.778 ( -1.751 2.397 0.863) 3.092 8.827 ( -0.376 -1.283 2.879) 3.174 8.838 ( -2.214 -0.014 1.846) 2.883 8.921 ( -1.650 -0.740 3.310) 3.772 8.991 ( -1.188 -0.369 -0.291) 1.277 9.077 ( -0.004 -0.802 -0.563) 0.980 9.173 ( 1.420 -2.012 -1.344) 2.805 9.272 ( 0.407 -1.279 0.251) 1.365 9.321 ( -0.431 -1.846 1.391) 2.351 9.422 ( -0.532 2.038 0.517) 2.169 9.448 ( -0.469 3.217 -1.560) 3.606 9.593 ( -1.659 -2.744 1.481) 3.532 9.636 ( -0.231 -2.227 3.186) 3.894 9.705 ( -2.453 -3.114 0.192) 3.968 9.770 ( -1.537 -0.520 3.202) 3.590 9.801 ( -0.351 0.781 5.732) 5.796 9.869 ( -3.669 -5.923 -2.609) 7.440 10.058 ( -2.472 2.188 -4.462) 5.551 10.159 ( -0.693 4.932 -2.659) 5.646 10.255 ( -3.238 -0.833 -7.714) 8.408 10.358 ( -0.388 2.430 -1.101) 2.696 10.386 ( 0.913 -4.350 -0.666) 4.495 10.519 ( 3.115 -2.950 -7.599) 8.726 10.683 ( -0.915 9.788 1.038) 9.885 10.824 ( 2.252 0.732 -0.551) 2.431 10.864 ( -0.820 -1.226 -4.062) 4.321 11.007 ( 12.016 -1.532 -0.337) 12.118 11.836 ( -3.129 2.005 12.415) 12.959 12.033 ( -9.100 -7.343 -0.222) 11.695 12.575 ( -10.874 7.262 1.975) 13.225 12.772 ( -9.187 -3.381 -5.926) 11.443 13.059 ( -0.564 1.415 2.647) 3.054 13.086 ( -1.288 0.177 2.975) 3.246 13.134 ( -2.791 3.161 0.192) 4.221 13.230 ( -5.895 -0.528 -0.745) 5.965 ======================= Grid point 101 (54/84) ======================= q-point: ( 0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 4.415 11.498 5.103) 13.332 1.254 ( 7.446 4.936 -2.121) 9.182 1.342 ( -6.504 -10.976 1.197) 12.814 1.491 ( 5.596 -2.696 1.421) 6.372 1.588 ( -1.224 9.346 -5.826) 11.081 1.749 ( -13.241 -0.676 -2.216) 13.442 1.831 ( -2.325 0.004 -2.529) 3.435 1.924 ( 3.757 -3.975 -9.664) 11.104 1.991 ( -0.628 2.116 -0.466) 2.256 2.080 ( 2.655 2.665 -9.463) 10.183 2.199 ( -2.453 3.595 -1.502) 4.604 2.251 ( 1.971 -2.821 2.520) 4.265 2.335 ( -4.798 9.154 1.293) 10.416 2.381 ( 2.010 -4.645 -3.510) 6.159 2.484 ( 3.301 -4.049 4.189) 6.696 2.537 ( -3.625 -0.088 -3.541) 5.068 2.676 ( 2.307 -0.480 7.284) 7.656 2.707 ( 2.954 4.198 0.353) 5.145 2.792 ( 2.824 5.339 2.450) 6.518 2.828 ( -1.086 -1.841 -2.137) 3.022 2.906 ( -1.202 -6.846 1.104) 7.038 2.943 ( 1.919 0.608 -2.160) 2.953 3.112 ( -5.971 4.425 6.285) 9.733 3.149 ( -3.829 1.790 2.845) 5.095 3.268 ( 5.687 -3.198 1.594) 6.717 3.296 ( -3.266 0.311 1.829) 3.756 3.401 ( -0.503 0.970 5.844) 5.945 3.483 ( 0.157 -9.435 -0.853) 9.475 3.521 ( -1.048 -1.968 0.840) 2.383 3.583 ( 6.583 -0.469 -0.996) 6.674 3.698 ( -5.491 -0.259 -1.271) 5.642 3.771 ( 0.394 -2.760 -0.984) 2.957 3.858 ( -1.813 0.328 -0.893) 2.047 4.070 ( -0.841 -3.845 1.103) 4.087 4.149 ( -3.621 1.433 0.409) 3.915 4.174 ( -1.502 -1.046 -3.325) 3.795 4.288 ( 4.526 2.474 1.309) 5.321 4.385 ( -0.221 2.545 -1.774) 3.110 4.404 ( 1.742 3.166 -2.141) 4.200 4.464 ( 1.535 -1.888 1.034) 2.644 4.515 ( 2.286 -2.608 0.116) 3.470 4.542 ( -0.577 -1.503 -3.769) 4.098 4.600 ( 2.709 -0.063 -2.549) 3.720 4.639 ( -1.707 -0.766 -0.442) 1.923 4.742 ( 2.410 4.500 -0.359) 5.117 4.864 ( 1.343 -0.174 -2.845) 3.151 4.888 ( 1.132 -0.651 1.208) 1.779 4.947 ( 1.142 -1.149 2.310) 2.821 5.015 ( -2.807 0.678 0.568) 2.943 5.054 ( 3.325 1.255 -0.197) 3.559 5.158 ( 1.054 3.581 -0.714) 3.801 5.183 ( 2.590 1.084 -2.989) 4.101 5.253 ( 2.512 -1.814 1.201) 3.323 5.283 ( 1.362 -1.478 1.211) 2.347 5.459 ( 2.578 2.515 0.845) 3.699 5.542 ( 4.586 1.889 1.665) 5.232 5.634 ( 3.412 -2.978 -1.915) 4.917 5.657 ( 4.884 -4.105 -3.420) 7.239 5.799 ( 7.313 2.594 -2.539) 8.164 5.850 ( 8.495 -0.086 -1.610) 8.647 6.043 ( 0.707 3.856 2.242) 4.516 6.215 ( 0.540 -3.215 -3.147) 4.531 6.610 ( 1.827 -0.475 -1.395) 2.347 6.672 ( 1.327 -1.658 0.731) 2.246 6.853 ( 4.779 2.667 6.542) 8.529 6.933 ( 3.579 1.475 3.662) 5.329 6.971 ( 2.510 -0.131 -3.675) 4.453 7.015 ( 4.952 -1.939 -0.772) 5.374 7.181 ( 0.920 -0.351 -0.109) 0.990 7.202 ( 3.357 -1.866 -1.182) 4.019 7.267 ( 2.103 3.144 4.558) 5.923 7.369 ( 6.728 3.051 0.039) 7.387 7.427 ( 4.045 -3.288 1.147) 5.338 7.474 ( 2.181 -0.900 2.863) 3.710 7.531 ( 1.785 -0.010 1.197) 2.149 7.565 ( 5.318 0.381 -2.108) 5.733 7.598 ( 7.333 2.663 1.575) 7.959 7.766 ( 6.271 -4.792 -0.143) 7.894 7.861 ( 6.462 2.635 0.704) 7.014 7.990 ( 3.120 -3.408 1.824) 4.967 8.101 ( 1.719 1.552 2.291) 3.257 8.290 ( 2.530 -5.827 -2.601) 6.864 8.337 ( 2.588 2.942 -3.703) 5.391 8.417 ( 2.774 -0.450 -5.132) 5.851 8.679 ( -2.692 1.748 3.092) 4.457 8.743 ( -2.010 0.666 1.997) 2.911 8.793 ( -1.641 2.527 1.360) 3.306 8.814 ( -1.300 0.833 3.154) 3.512 8.887 ( -1.567 -0.940 3.252) 3.730 8.955 ( -2.343 -3.750 -0.773) 4.489 9.089 ( 0.774 4.219 -1.889) 4.687 9.198 ( 1.081 1.540 -1.932) 2.697 9.276 ( 0.620 -1.775 -1.721) 2.549 9.317 ( 0.148 -3.497 -0.369) 3.519 9.412 ( -1.098 3.497 2.213) 4.282 9.442 ( 0.069 3.510 0.157) 3.514 9.564 ( -1.444 -3.556 0.628) 3.889 9.623 ( -2.838 -0.971 -0.194) 3.006 9.661 ( -1.039 -4.551 5.398) 7.137 9.728 ( -2.375 0.046 4.002) 4.654 9.769 ( -6.112 -4.403 -1.510) 7.683 9.789 ( -1.662 -1.531 2.264) 3.198 9.978 ( -5.249 4.043 -3.496) 7.491 10.122 ( -3.148 -1.379 -2.791) 4.427 10.183 ( -3.299 7.702 -8.257) 11.763 10.303 ( -5.141 2.004 -4.871) 7.361 10.387 ( -0.454 -2.413 -0.824) 2.590 10.587 ( 2.326 -2.973 -3.738) 5.312 10.665 ( -0.757 9.437 0.776) 9.499 10.852 ( 0.275 -2.867 -1.055) 3.067 10.881 ( 3.548 0.022 -0.130) 3.551 11.230 ( 9.007 -8.505 1.444) 12.472 11.763 ( -4.027 1.162 9.998) 10.841 11.857 ( -7.402 -3.454 -1.467) 8.299 12.294 ( -17.216 8.078 2.853) 19.230 12.510 ( -16.479 -2.564 -6.631) 17.948 13.047 ( -0.575 0.966 1.875) 2.186 13.052 ( -1.907 0.819 2.058) 2.922 13.100 ( -0.790 1.131 0.464) 1.455 13.150 ( -2.403 -0.631 0.890) 2.639 ======================= Grid point 102 (55/84) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 12.209 3.905 -9.247) 15.806 1.138 ( -12.035 -0.184 2.548) 12.304 1.255 ( -4.501 -1.642 -12.466) 13.355 1.395 ( -13.900 -2.899 -0.696) 14.217 1.664 ( 4.931 2.370 -5.615) 7.839 1.732 ( 13.341 5.201 4.927) 15.143 1.862 ( 3.039 -1.003 0.220) 3.208 1.934 ( 0.368 -2.972 -5.134) 5.943 1.984 ( -3.304 -0.755 -1.807) 3.840 2.102 ( -1.958 1.295 -4.445) 5.027 2.128 ( 0.871 3.988 -4.745) 6.259 2.337 ( 6.701 4.682 -5.037) 9.602 2.357 ( -7.074 -1.586 -4.470) 8.517 2.381 ( 0.674 -3.873 -2.101) 4.457 2.406 ( 1.964 -2.489 4.774) 5.730 2.541 ( 2.038 -2.581 0.992) 3.435 2.660 ( -3.992 -1.845 1.836) 4.765 2.750 ( -4.932 7.898 9.931) 13.613 2.781 ( -3.197 5.780 -0.584) 6.631 2.841 ( 3.433 3.793 1.543) 5.344 2.919 ( 2.651 -0.560 -2.269) 3.534 2.955 ( -6.697 4.398 8.168) 11.442 3.082 ( 5.304 -6.070 -0.539) 8.079 3.086 ( -1.389 -1.815 -0.404) 2.321 3.200 ( -6.546 -0.297 3.130) 7.262 3.325 ( -1.694 -4.416 4.078) 6.246 3.388 ( 0.553 -1.401 1.816) 2.359 3.472 ( 1.377 -3.859 1.554) 4.382 3.515 ( 2.365 2.803 3.281) 4.921 3.609 ( -1.710 -0.122 -3.308) 3.726 3.652 ( -0.522 1.345 0.368) 1.489 3.760 ( -3.456 3.037 -0.071) 4.601 3.895 ( 5.239 -7.252 2.806) 9.376 4.035 ( -6.169 2.145 -0.594) 6.558 4.053 ( -2.315 -4.477 -2.406) 5.585 4.096 ( -2.359 -1.690 -1.386) 3.216 4.352 ( 1.855 1.869 3.399) 4.300 4.427 ( 3.623 2.103 -1.555) 4.469 4.486 ( 4.707 0.024 -3.057) 5.613 4.506 ( 3.645 -0.418 -1.391) 3.923 4.540 ( 0.099 -1.852 -1.016) 2.114 4.584 ( 2.744 -1.432 1.674) 3.518 4.623 ( 1.145 0.897 -2.171) 2.613 4.661 ( 2.364 -1.936 -1.395) 3.359 4.776 ( 1.367 1.584 -1.595) 2.630 4.826 ( -3.568 2.192 0.311) 4.199 4.910 ( 0.305 -2.084 -0.122) 2.109 4.971 ( 0.129 2.209 1.574) 2.716 4.990 ( 0.902 -1.229 -1.896) 2.433 5.106 ( 1.803 -0.968 -0.539) 2.116 5.163 ( -0.210 3.012 -0.885) 3.147 5.240 ( 2.829 1.477 -2.572) 4.099 5.289 ( 1.012 -1.941 0.118) 2.193 5.316 ( 2.226 -0.725 0.976) 2.536 5.507 ( 2.181 2.721 1.497) 3.795 5.639 ( 4.828 1.259 2.432) 5.551 5.682 ( 2.158 -2.465 -5.011) 5.987 5.765 ( 5.484 -3.438 1.020) 6.552 5.932 ( 5.910 2.513 -2.087) 6.753 5.984 ( 4.558 -0.121 -1.378) 4.764 6.067 ( 1.949 3.441 1.155) 4.120 6.223 ( 0.260 -2.924 -3.949) 4.921 6.629 ( 0.006 -0.868 -1.048) 1.361 6.669 ( -1.563 -1.421 0.699) 2.225 6.918 ( 1.898 2.245 7.644) 8.190 6.991 ( 2.461 2.033 3.928) 5.062 7.021 ( 2.622 -1.383 -3.040) 4.246 7.106 ( 3.098 -0.931 2.751) 4.247 7.216 ( 2.693 -0.244 -0.274) 2.718 7.270 ( 3.167 -3.353 -0.294) 4.622 7.316 ( 3.079 2.674 1.687) 4.413 7.457 ( 0.938 -2.011 0.768) 2.348 7.486 ( 4.641 2.195 3.538) 6.235 7.567 ( 6.159 -0.363 3.416) 7.053 7.596 ( 4.461 0.565 1.824) 4.852 7.686 ( 6.510 0.957 -1.901) 6.849 7.738 ( 6.134 1.612 -0.006) 6.342 7.872 ( 4.630 -2.298 -2.071) 5.568 7.977 ( 4.897 2.688 2.367) 6.067 8.069 ( 5.294 -2.670 1.210) 6.051 8.138 ( 2.802 -0.461 0.891) 2.977 8.322 ( 1.166 -6.530 -2.768) 7.187 8.408 ( 5.317 3.792 -1.784) 6.770 8.516 ( 5.009 -2.739 -2.617) 6.280 8.617 ( -1.538 1.920 1.964) 3.148 8.678 ( -4.102 -0.726 1.915) 4.585 8.772 ( -3.215 2.120 1.386) 4.092 8.796 ( 0.867 2.915 -0.572) 3.095 8.861 ( -1.973 -2.073 0.319) 2.879 8.929 ( 0.344 -2.905 0.384) 2.951 9.081 ( -2.074 6.350 -4.381) 7.989 9.215 ( 1.031 4.933 -2.853) 5.791 9.301 ( -2.288 -2.069 -1.071) 3.266 9.318 ( 3.160 -0.443 0.244) 3.201 9.384 ( -0.963 0.528 1.130) 1.576 9.445 ( -0.331 1.635 -0.218) 1.682 9.530 ( -1.745 -0.526 -0.459) 1.879 9.543 ( -4.493 -4.440 4.438) 7.720 9.615 ( -6.856 -2.661 -1.113) 7.438 9.644 ( -3.237 -1.472 5.778) 6.785 9.712 ( -0.105 -1.056 -1.489) 1.829 9.754 ( -2.041 0.318 3.007) 3.648 9.882 ( -3.325 4.587 -2.796) 6.318 10.051 ( -4.298 -2.948 -5.409) 7.511 10.127 ( -2.830 10.177 -2.460) 10.846 10.176 ( -6.311 3.732 -5.920) 9.424 10.391 ( 1.361 -2.650 -1.982) 3.578 10.557 ( -4.791 3.488 2.015) 6.259 10.680 ( 1.742 1.388 0.719) 2.341 10.870 ( 1.274 -5.726 0.965) 5.945 10.968 ( 5.489 -3.629 0.083) 6.581 11.283 ( -3.717 -16.052 3.002) 16.748 11.720 ( -0.848 3.078 5.340) 6.222 11.777 ( -2.445 0.480 5.751) 6.267 11.971 ( -14.519 9.892 -2.518) 17.748 12.215 ( -11.555 -2.475 -10.747) 15.973 13.025 ( -0.886 0.819 1.641) 2.037 13.041 ( -0.048 0.140 1.430) 1.438 13.089 ( -0.515 0.962 0.200) 1.109 13.122 ( -0.942 -0.395 0.873) 1.343 ======================= Grid point 103 (56/84) ======================= q-point: ( 0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -6.335 4.095 -4.187) 8.627 1.111 ( -0.881 1.660 -12.556) 12.696 1.174 ( -0.220 -5.134 -7.288) 8.918 1.276 ( 4.172 -3.971 -7.242) 9.253 1.778 ( 4.946 1.702 -3.237) 6.151 1.829 ( -1.758 1.583 3.596) 4.304 1.874 ( -6.059 -1.342 2.135) 6.563 1.958 ( 3.678 -0.343 -4.873) 6.115 2.013 ( -3.114 -4.675 -2.281) 6.063 2.057 ( 9.106 -3.373 1.247) 9.790 2.181 ( 2.174 -0.330 -3.584) 4.205 2.284 ( -1.852 0.364 -5.652) 5.959 2.307 ( 1.556 3.328 -1.390) 3.928 2.475 ( 1.113 2.391 0.744) 2.740 2.491 ( 1.174 0.708 -2.236) 2.623 2.563 ( -5.144 7.604 5.534) 10.720 2.602 ( 7.114 6.749 -1.979) 10.004 2.644 ( -8.789 2.135 -2.035) 9.271 2.683 ( 1.540 0.231 3.574) 3.898 2.772 ( -9.934 9.626 5.330) 14.824 2.898 ( 2.742 -1.852 3.649) 4.926 2.964 ( -7.583 -2.607 7.578) 11.032 3.001 ( 1.823 2.805 -0.729) 3.424 3.118 ( 1.268 -5.440 -0.490) 5.608 3.212 ( 0.579 -1.992 1.579) 2.607 3.269 ( -1.388 -5.431 1.604) 5.831 3.416 ( 2.045 -8.205 -2.305) 8.764 3.475 ( -1.322 -1.655 2.650) 3.393 3.568 ( -2.978 0.705 -1.216) 3.293 3.608 ( 1.507 3.061 -0.761) 3.496 3.642 ( 1.506 -2.309 0.129) 2.760 3.755 ( 3.894 2.652 5.609) 7.325 3.901 ( -2.810 1.278 -3.493) 4.662 3.954 ( 0.187 -0.435 4.315) 4.341 4.061 ( 2.294 -1.517 -2.207) 3.526 4.125 ( 3.296 -2.048 -2.208) 4.464 4.365 ( -0.698 -0.107 4.900) 4.950 4.481 ( -0.676 -0.952 2.216) 2.505 4.508 ( -0.827 -2.346 2.381) 3.443 4.520 ( 0.291 -0.558 -0.202) 0.662 4.582 ( 0.735 1.699 -2.881) 3.424 4.607 ( 0.939 1.607 -0.536) 1.937 4.658 ( 0.340 -0.449 -0.473) 0.736 4.693 ( 0.740 -1.409 -1.137) 1.955 4.750 ( -1.437 2.508 -2.243) 3.658 4.820 ( 1.793 -0.162 -2.409) 3.008 4.911 ( 0.216 -0.206 -2.348) 2.367 4.977 ( 0.888 2.755 2.964) 4.143 5.012 ( 1.027 -3.858 -2.798) 4.875 5.115 ( -0.845 -1.756 -3.186) 3.734 5.161 ( 0.206 3.418 0.040) 3.425 5.264 ( -0.161 -0.611 -2.102) 2.195 5.314 ( 1.293 -0.573 0.590) 1.532 5.349 ( 0.980 -0.436 -0.323) 1.120 5.539 ( 1.073 2.739 1.717) 3.406 5.680 ( -0.101 -2.625 -3.064) 4.036 5.753 ( 4.594 1.505 1.786) 5.153 5.848 ( 2.880 -2.803 2.306) 4.634 6.003 ( 0.925 2.156 -2.119) 3.161 6.019 ( -0.006 1.349 -1.551) 2.055 6.104 ( 1.033 1.885 0.541) 2.216 6.217 ( -0.965 -2.444 -3.973) 4.763 6.607 ( -2.605 -0.803 2.898) 3.978 6.632 ( -1.400 -1.342 -1.119) 2.239 6.918 ( -2.008 3.854 7.546) 8.708 7.036 ( 1.800 1.221 -0.209) 2.185 7.067 ( 1.998 -3.177 5.213) 6.423 7.122 ( -0.795 -0.758 2.659) 2.877 7.261 ( 1.447 -0.684 0.146) 1.607 7.329 ( 2.735 -2.514 -0.076) 3.716 7.365 ( 1.311 0.490 -2.514) 2.878 7.447 ( -1.514 -0.980 0.099) 1.806 7.573 ( 3.814 1.861 6.626) 7.868 7.649 ( 0.169 -1.360 4.649) 4.847 7.701 ( 6.562 0.989 -0.090) 6.637 7.769 ( 1.581 -1.684 -1.160) 2.585 7.822 ( 4.283 4.846 -3.314) 7.267 7.941 ( -0.755 0.088 -1.793) 1.947 8.028 ( 3.411 1.768 -0.057) 3.842 8.198 ( 7.558 -1.481 4.099) 8.725 8.245 ( 7.401 -2.196 4.846) 9.115 8.318 ( -1.784 -8.944 -3.602) 9.805 8.514 ( -0.207 2.361 0.833) 2.512 8.551 ( 7.656 4.749 2.271) 9.292 8.577 ( -4.627 -0.210 -0.442) 4.653 8.686 ( -5.204 1.811 -1.769) 5.787 8.729 ( 4.663 2.272 -1.197) 5.323 8.799 ( 1.773 -2.256 -3.177) 4.281 8.820 ( -1.987 -3.702 0.907) 4.299 8.922 ( -3.245 -1.041 -3.414) 4.824 9.005 ( -4.607 5.947 -5.531) 9.337 9.178 ( -5.057 -0.365 -4.316) 6.658 9.289 ( 1.598 3.264 2.650) 4.498 9.359 ( -2.390 1.144 1.120) 2.877 9.371 ( 1.500 -0.952 0.953) 2.016 9.431 ( -0.303 0.529 -0.593) 0.851 9.475 ( -5.604 -1.189 2.565) 6.277 9.494 ( -0.134 -2.578 1.403) 2.938 9.549 ( 4.798 1.993 0.133) 5.197 9.602 ( -2.402 2.105 2.322) 3.949 9.686 ( -0.739 1.853 -2.381) 3.106 9.744 ( 0.184 0.676 1.143) 1.341 9.860 ( -1.324 2.797 -2.703) 4.109 9.953 ( -2.780 -0.849 -5.104) 5.874 10.063 ( -2.680 5.656 1.608) 6.462 10.124 ( -0.171 5.265 -4.171) 6.719 10.436 ( -4.206 0.408 2.164) 4.747 10.453 ( 2.362 -3.211 -1.494) 4.257 10.717 ( 2.086 -1.597 2.807) 3.845 10.893 ( 0.700 -5.673 -0.593) 5.747 11.048 ( -0.956 -7.872 4.940) 9.343 11.196 ( -0.111 -15.770 -0.050) 15.771 11.633 ( -8.817 4.614 6.617) 11.950 11.660 ( -8.048 2.161 10.834) 13.668 11.863 ( 2.387 10.999 -8.871) 14.331 12.134 ( 2.634 -3.084 -14.286) 14.851 13.017 ( -0.071 0.917 1.675) 1.911 13.045 ( 0.272 -0.450 1.152) 1.266 13.080 ( -0.322 1.101 0.333) 1.195 13.107 ( -0.743 -0.165 0.476) 0.898 ======================= Grid point 104 (57/84) ======================= q-point: (-0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 4.008 3.475 -9.260) 10.672 1.136 ( 6.254 -0.401 -5.674) 8.454 1.218 ( 3.640 -4.488 -8.045) 9.906 1.301 ( -2.713 -4.137 -11.769) 12.766 1.655 ( -12.648 2.698 3.436) 13.381 1.760 ( -4.214 -3.323 3.589) 6.456 1.928 ( 9.948 1.683 -3.334) 10.626 1.992 ( -1.548 0.166 -5.356) 5.578 2.053 ( 0.088 0.922 0.928) 1.311 2.117 ( -3.806 -1.683 -0.493) 4.191 2.169 ( 1.910 -5.950 -1.556) 6.440 2.302 ( 5.239 -4.320 -4.539) 8.167 2.351 ( -9.399 4.036 -6.923) 12.351 2.364 ( -1.415 4.880 -1.582) 5.322 2.445 ( -4.844 4.427 2.746) 7.113 2.549 ( 4.773 9.079 2.793) 10.631 2.641 ( 5.969 3.031 3.552) 7.579 2.662 ( 3.121 4.059 -3.314) 6.099 2.748 ( 0.895 3.286 4.105) 5.334 2.791 ( -3.725 -3.978 8.071) 9.739 2.827 ( 11.513 6.244 1.109) 13.144 2.970 ( -4.767 3.700 2.886) 6.689 3.009 ( 6.578 -1.676 3.502) 7.639 3.077 ( -5.867 -8.466 -2.077) 10.508 3.222 ( 2.509 -0.198 -1.870) 3.136 3.280 ( 0.888 -3.293 3.044) 4.572 3.395 ( -4.490 1.455 5.032) 6.900 3.468 ( 1.386 -5.225 -1.734) 5.677 3.532 ( -0.901 -0.945 -1.433) 1.938 3.651 ( -1.687 -6.433 -0.478) 6.667 3.657 ( 3.596 -0.531 1.946) 4.123 3.737 ( -0.916 -2.090 0.149) 2.287 3.957 ( 2.562 2.271 -1.346) 3.679 3.985 ( 2.004 1.016 3.697) 4.326 4.119 ( 2.635 -0.245 -1.986) 3.309 4.146 ( -0.649 0.176 -3.932) 3.989 4.322 ( -2.837 -0.938 5.097) 5.909 4.399 ( -5.057 -1.877 2.018) 5.759 4.519 ( 0.438 -0.451 2.683) 2.756 4.534 ( 1.242 1.076 -0.111) 1.647 4.586 ( 0.402 0.469 -1.048) 1.217 4.607 ( -3.749 -1.038 -0.069) 3.891 4.610 ( -0.679 1.477 -3.228) 3.614 4.687 ( -1.420 -0.346 -1.285) 1.946 4.750 ( -0.526 2.473 0.466) 2.571 4.834 ( -0.437 2.186 -2.318) 3.216 4.923 ( 0.552 -1.244 -3.445) 3.704 5.006 ( 1.711 1.406 4.230) 4.775 5.026 ( 0.467 -4.002 -2.746) 4.876 5.090 ( -1.165 -1.101 -2.735) 3.170 5.165 ( 0.118 2.383 -1.446) 2.790 5.251 ( -1.032 -1.021 -1.541) 2.117 5.316 ( -1.113 0.279 0.534) 1.265 5.357 ( -0.167 -0.741 -0.819) 1.117 5.545 ( -0.599 2.486 1.707) 3.074 5.661 ( -1.629 -2.302 -3.893) 4.807 5.817 ( 1.088 0.760 3.045) 3.321 5.869 ( -0.901 -2.043 1.611) 2.753 5.966 ( -3.648 2.369 -1.510) 4.604 5.993 ( -3.261 1.126 -2.306) 4.150 6.101 ( -1.053 1.430 1.166) 2.124 6.184 ( -2.178 -2.040 -3.251) 4.413 6.546 ( -3.318 0.148 4.782) 5.822 6.620 ( -0.140 -3.103 0.806) 3.209 6.866 ( -2.933 5.055 5.463) 8.000 7.034 ( -1.975 -1.152 2.867) 3.667 7.073 ( -1.602 0.364 3.373) 3.752 7.125 ( 0.927 -2.523 3.792) 4.648 7.263 ( -1.277 -1.261 -0.840) 1.981 7.343 ( -2.414 -4.022 -2.529) 5.329 7.371 ( 0.239 2.229 1.475) 2.683 7.418 ( -1.290 -0.148 -0.164) 1.309 7.586 ( -3.449 0.290 3.695) 5.063 7.609 ( -3.032 -0.442 3.525) 4.670 7.777 ( 1.615 0.388 -0.753) 1.824 7.783 ( -3.052 -0.023 -0.078) 3.053 7.854 ( -1.191 3.330 -1.496) 3.840 7.934 ( 4.533 4.530 -4.227) 7.677 8.078 ( -1.110 -5.394 2.137) 5.907 8.260 ( -1.471 -8.688 -7.007) 11.258 8.312 ( 1.129 1.653 5.142) 5.518 8.365 ( 0.941 -2.029 4.969) 5.450 8.445 ( -6.812 3.090 -2.755) 7.971 8.521 ( 0.913 -0.389 -0.445) 1.087 8.602 ( -0.146 2.640 2.822) 3.868 8.702 ( -5.619 -0.968 -2.171) 6.101 8.723 ( 3.124 1.756 -0.644) 3.641 8.775 ( -0.850 3.326 -1.434) 3.721 8.797 ( -0.012 3.328 -0.920) 3.453 8.908 ( 0.210 -1.191 -6.538) 6.649 8.976 ( 4.335 -2.077 3.054) 5.696 9.091 ( -3.291 -3.888 -3.674) 6.281 9.300 ( 0.022 2.092 2.639) 3.368 9.332 ( 0.152 1.823 2.616) 3.192 9.378 ( -0.722 1.651 0.591) 1.897 9.413 ( 0.158 -1.588 0.107) 1.600 9.455 ( 1.732 3.269 0.138) 3.702 9.531 ( 1.404 1.313 -0.127) 1.927 9.573 ( 1.512 3.607 1.299) 4.121 9.654 ( 2.537 0.236 -0.455) 2.588 9.700 ( 1.657 0.328 -1.314) 2.140 9.722 ( -1.176 -0.983 -1.497) 2.143 9.839 ( 2.305 5.189 -0.508) 5.701 9.996 ( 3.634 -1.805 -8.004) 8.974 10.029 ( -0.017 1.060 2.144) 2.392 10.150 ( 3.151 7.368 -2.879) 8.515 10.337 ( -3.424 -3.726 2.352) 5.580 10.550 ( 4.699 1.015 -2.063) 5.232 10.770 ( 3.576 -5.889 4.771) 8.380 10.874 ( -3.053 0.032 -3.335) 4.521 10.946 ( -5.503 -10.663 7.222) 14.006 11.259 ( 0.276 -11.866 -0.362) 11.875 11.510 ( -2.582 2.940 5.226) 6.529 11.565 ( 0.571 1.708 11.172) 11.316 11.967 ( 8.614 10.399 -8.753) 16.092 12.231 ( 6.585 -3.133 -12.928) 14.843 13.020 ( 0.323 0.908 1.797) 2.040 13.047 ( -0.174 -0.367 0.595) 0.721 13.082 ( 0.495 0.793 1.282) 1.586 13.094 ( -0.425 0.140 0.199) 0.490 ======================= Grid point 105 (58/84) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -6.111 0.211 -6.001) 8.567 1.105 ( 2.343 -0.104 -11.917) 12.145 1.345 ( 11.579 -0.771 -6.203) 13.159 1.393 ( -2.768 4.154 7.026) 8.619 1.506 ( 4.303 -1.625 -6.215) 7.732 1.650 ( -3.012 -2.153 5.953) 7.010 1.880 ( -7.543 -1.391 -2.891) 8.197 1.972 ( -4.129 -0.516 0.527) 4.194 2.064 ( -5.742 4.577 -5.307) 9.060 2.111 ( -2.879 2.700 -5.714) 6.945 2.135 ( 4.983 4.258 -5.968) 8.864 2.228 ( 0.656 -3.342 0.090) 3.407 2.340 ( 1.017 2.018 -2.172) 3.135 2.398 ( 0.639 -0.917 -2.034) 2.321 2.495 ( 0.562 -5.447 -1.753) 5.750 2.556 ( -0.334 -1.501 6.247) 6.433 2.621 ( 1.856 1.128 1.813) 2.829 2.742 ( 0.998 6.817 1.028) 6.966 2.822 ( -0.482 8.147 2.225) 8.459 2.841 ( 1.516 2.405 1.826) 3.379 2.900 ( 6.847 0.968 3.268) 7.649 2.941 ( -3.324 -7.823 -2.100) 8.756 3.104 ( 9.346 0.211 3.685) 10.049 3.139 ( 6.758 -1.770 2.273) 7.347 3.260 ( 1.759 3.297 -2.292) 4.384 3.307 ( 2.028 -2.232 3.262) 4.442 3.318 ( -3.136 -0.627 2.639) 4.146 3.452 ( -2.352 -0.723 2.763) 3.700 3.518 ( 0.349 -0.030 -0.066) 0.357 3.658 ( 3.159 -4.079 -0.134) 5.162 3.679 ( -4.457 -0.492 0.589) 4.523 3.778 ( 7.040 -3.689 2.918) 8.467 3.940 ( -3.698 -1.709 -1.744) 4.431 3.986 ( -1.783 -2.449 -1.044) 3.204 4.126 ( -2.104 -0.802 -0.378) 2.283 4.150 ( 2.053 -0.398 -4.679) 5.125 4.304 ( -3.810 -1.012 -0.228) 3.949 4.306 ( 0.867 -1.113 2.343) 2.735 4.505 ( -2.549 -1.165 -0.769) 2.906 4.525 ( -3.754 -0.750 -0.294) 3.839 4.568 ( -0.000 2.424 -1.336) 2.767 4.589 ( -0.542 1.481 -2.523) 2.975 4.601 ( 0.018 1.096 -0.532) 1.218 4.642 ( -2.631 0.357 -1.764) 3.187 4.720 ( -2.405 2.790 1.764) 4.084 4.817 ( -0.860 3.267 0.035) 3.378 4.911 ( -1.323 -1.360 -0.780) 2.052 5.024 ( -0.274 -0.419 1.648) 1.722 5.038 ( 0.809 -0.654 0.457) 1.136 5.075 ( -0.390 -0.342 -1.274) 1.376 5.167 ( 0.235 1.515 -2.964) 3.337 5.224 ( -1.830 -0.561 -1.646) 2.525 5.286 ( -1.642 0.546 0.385) 1.773 5.338 ( -1.683 -0.915 -0.656) 2.025 5.517 ( -2.290 2.015 1.668) 3.476 5.622 ( -2.292 -2.403 -3.894) 5.118 5.772 ( -5.473 0.445 0.268) 5.498 5.807 ( -5.170 0.413 -1.473) 5.392 5.891 ( -4.665 0.252 1.637) 4.950 5.898 ( -6.109 0.712 -1.540) 6.341 6.075 ( -1.477 1.307 2.001) 2.809 6.148 ( -1.035 -2.281 -2.274) 3.383 6.489 ( -2.616 1.046 5.808) 6.456 6.613 ( -0.921 -4.950 3.365) 6.056 6.823 ( -1.728 5.492 3.632) 6.807 6.990 ( -2.224 -1.610 4.448) 5.227 7.027 ( -2.715 2.636 0.202) 3.790 7.123 ( -1.302 -3.391 4.512) 5.792 7.214 ( -3.696 -1.277 -1.382) 4.147 7.267 ( -4.669 -2.284 -2.844) 5.925 7.350 ( -2.361 3.001 3.423) 5.128 7.400 ( -0.971 -0.274 0.727) 1.243 7.486 ( -6.141 -0.144 2.008) 6.462 7.538 ( -4.209 -1.715 1.244) 4.712 7.672 ( -5.888 3.997 -2.729) 7.622 7.770 ( -2.552 0.107 -1.454) 2.939 7.847 ( -1.769 2.267 4.169) 5.065 7.962 ( -3.662 0.805 -3.988) 5.474 8.000 ( -5.413 -5.112 -3.155) 8.086 8.172 ( -9.002 -6.528 -3.512) 11.661 8.233 ( -3.953 2.733 -4.171) 6.364 8.325 ( -0.373 -0.551 -3.134) 3.204 8.386 ( -4.630 -0.028 3.805) 5.994 8.467 ( -7.319 -3.587 -1.746) 8.335 8.607 ( 0.717 2.509 2.278) 3.463 8.656 ( 3.428 1.380 3.290) 4.948 8.721 ( 2.530 3.304 0.625) 4.208 8.817 ( 3.135 3.133 -0.156) 4.435 8.889 ( 0.527 -1.652 -0.295) 1.759 8.922 ( 5.104 3.432 2.029) 6.477 9.028 ( -0.697 -0.195 -1.796) 1.936 9.088 ( 3.441 -5.161 1.027) 6.287 9.311 ( -2.079 3.244 -2.016) 4.348 9.323 ( 2.203 1.932 2.519) 3.864 9.396 ( 0.041 0.437 -2.693) 2.729 9.448 ( 3.164 -0.286 1.704) 3.605 9.484 ( 2.606 1.124 0.820) 2.954 9.554 ( 2.409 1.222 2.980) 4.022 9.620 ( 2.164 1.205 0.117) 2.480 9.671 ( 0.409 -1.721 -0.619) 1.874 9.715 ( 1.927 -1.992 2.088) 3.470 9.745 ( 1.491 -2.467 1.951) 3.481 9.915 ( 3.083 3.705 -4.064) 6.305 10.028 ( 3.014 2.864 1.370) 4.377 10.075 ( 2.489 -3.734 -10.195) 11.139 10.247 ( 6.141 6.548 -5.082) 10.316 10.322 ( 1.574 -1.429 1.425) 2.559 10.613 ( 2.390 4.690 -0.830) 5.329 10.776 ( -6.291 2.310 -2.226) 7.062 10.810 ( -0.842 -2.597 4.575) 5.328 10.910 ( 0.132 -10.650 2.079) 10.852 11.191 ( -4.149 -6.978 5.490) 9.800 11.469 ( -0.449 6.280 6.807) 9.273 11.741 ( 13.393 -7.634 6.650) 16.789 12.186 ( 13.696 7.439 -7.791) 17.424 12.376 ( 9.347 -1.934 -11.160) 14.685 13.029 ( 0.521 0.693 2.023) 2.201 13.041 ( -0.195 0.127 0.960) 0.988 13.095 ( 0.539 0.428 0.473) 0.835 13.097 ( 0.945 0.469 1.418) 1.768 ======================= Grid point 106 (59/84) ======================= q-point: (-0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -6.949 10.076 5.720) 13.510 1.206 ( -4.120 1.671 -5.584) 7.138 1.271 ( -2.805 5.921 1.832) 6.803 1.418 ( 4.359 -6.887 6.908) 10.684 1.620 ( 0.362 -4.091 -2.212) 4.665 1.751 ( 8.495 -0.026 -2.409) 8.830 1.851 ( -10.229 8.220 -3.807) 13.663 1.864 ( 4.171 -1.427 -7.564) 8.755 1.967 ( 6.239 -2.709 -5.797) 8.937 2.109 ( 1.611 2.279 -1.415) 3.129 2.209 ( 0.707 1.541 -6.257) 6.483 2.264 ( -2.046 -4.376 4.843) 6.840 2.294 ( -2.412 2.264 0.708) 3.383 2.420 ( -2.507 -1.644 -7.338) 7.927 2.424 ( 5.188 0.510 2.380) 5.731 2.584 ( -3.836 2.270 0.981) 4.564 2.619 ( -2.099 4.288 4.384) 6.482 2.712 ( -2.669 4.577 4.559) 6.990 2.812 ( -3.030 -9.061 -3.712) 10.250 2.842 ( 3.119 6.256 -0.002) 6.990 2.937 ( 5.087 -3.443 -0.972) 6.219 3.083 ( 5.779 1.059 1.409) 6.041 3.172 ( -1.393 -4.987 4.428) 6.813 3.209 ( 2.470 -3.641 1.021) 4.517 3.277 ( -0.088 -1.556 2.481) 2.930 3.308 ( -0.222 4.967 -6.455) 8.148 3.346 ( -1.050 -5.431 3.241) 6.411 3.419 ( -0.519 -1.513 3.509) 3.856 3.537 ( 2.900 5.916 1.691) 6.802 3.626 ( -2.373 4.530 -0.873) 5.188 3.741 ( 4.704 -5.170 -1.520) 7.153 3.848 ( -3.702 -4.101 -4.096) 6.877 3.903 ( 1.059 -1.877 -4.987) 5.433 3.979 ( 4.337 0.503 3.063) 5.333 4.064 ( -1.506 -3.046 5.041) 6.080 4.184 ( 0.787 -5.540 -0.920) 5.671 4.262 ( -1.464 1.736 0.138) 2.275 4.367 ( 5.218 -2.130 -0.256) 5.642 4.423 ( -4.241 -1.715 -1.902) 4.955 4.477 ( -2.604 -0.944 -1.516) 3.157 4.518 ( -5.750 0.926 -1.821) 6.102 4.550 ( -0.617 1.269 -2.582) 2.942 4.585 ( -0.632 2.594 -0.445) 2.706 4.627 ( -0.546 1.706 -2.884) 3.394 4.668 ( -2.156 4.160 2.816) 5.466 4.792 ( -1.783 1.043 0.692) 2.178 4.886 ( -1.972 2.172 2.493) 3.850 5.004 ( -1.776 -0.118 -0.167) 1.788 5.043 ( -0.189 -0.110 1.727) 1.741 5.076 ( 0.385 0.334 -1.886) 1.954 5.169 ( -0.323 1.622 -2.069) 2.649 5.175 ( -3.131 1.102 -2.079) 3.917 5.260 ( -1.099 0.378 0.430) 1.239 5.303 ( -1.544 -1.418 -0.402) 2.135 5.463 ( -3.149 1.662 1.645) 3.923 5.575 ( -2.244 -2.892 -3.850) 5.313 5.645 ( -6.741 1.023 -0.610) 6.846 5.700 ( -5.301 0.484 -2.789) 6.009 5.771 ( -7.112 0.181 1.053) 7.192 5.773 ( -6.556 0.267 -1.776) 6.797 6.052 ( -0.890 1.749 3.016) 3.598 6.148 ( 0.819 -3.178 -1.240) 3.508 6.458 ( -0.314 1.342 5.021) 5.207 6.586 ( -1.627 -4.897 4.486) 6.838 6.785 ( -2.832 4.544 2.748) 6.018 6.922 ( -4.766 -0.200 0.517) 4.798 7.023 ( 2.238 1.720 2.912) 4.056 7.091 ( -1.555 -2.583 3.410) 4.551 7.131 ( -4.202 -0.345 -1.485) 4.470 7.183 ( -3.546 -2.040 -4.023) 5.738 7.289 ( -4.080 4.654 2.334) 6.615 7.363 ( -4.484 -0.416 1.928) 4.899 7.378 ( -3.255 -0.228 1.450) 3.570 7.456 ( -4.365 -1.739 -0.655) 4.744 7.561 ( -6.304 3.140 -2.849) 7.597 7.685 ( -5.763 -1.164 -2.030) 6.220 7.779 ( -4.997 1.416 6.070) 7.989 7.806 ( -8.603 1.498 -5.058) 10.091 7.931 ( -2.760 -4.217 -2.604) 5.673 7.982 ( -9.326 -5.069 -2.922) 11.010 8.187 ( -3.072 -1.063 -1.515) 3.587 8.247 ( -6.856 -1.959 -2.057) 7.421 8.307 ( -1.406 3.828 -0.700) 4.138 8.414 ( 1.090 -2.547 -3.589) 4.534 8.638 ( 1.794 3.151 3.407) 4.975 8.728 ( 3.066 2.224 6.285) 7.338 8.781 ( 2.874 1.331 1.136) 3.365 8.872 ( 1.960 3.781 -1.796) 4.623 8.901 ( 1.009 -2.844 3.306) 4.476 8.977 ( 2.327 -1.371 0.065) 2.702 9.057 ( 2.033 0.341 -0.219) 2.073 9.119 ( 0.118 -3.322 1.231) 3.544 9.267 ( -1.493 3.230 -2.515) 4.358 9.352 ( -1.514 -0.099 -1.421) 2.078 9.412 ( 3.048 0.619 0.793) 3.210 9.457 ( 0.023 4.097 0.413) 4.118 9.590 ( 4.657 -3.851 0.989) 6.123 9.606 ( 2.079 -0.772 3.537) 4.174 9.669 ( 3.165 -0.260 -0.022) 3.176 9.685 ( 2.280 0.881 4.118) 4.789 9.740 ( 1.150 -4.845 -1.847) 5.311 9.810 ( 3.961 -2.647 7.811) 9.149 9.948 ( 2.101 -0.765 -4.556) 5.076 10.059 ( 0.049 -4.361 -2.859) 5.215 10.165 ( 5.869 4.807 -7.675) 10.792 10.336 ( 2.641 9.759 -4.373) 11.016 10.380 ( 3.968 -3.028 -1.303) 5.158 10.617 ( -6.897 -1.109 -5.193) 8.704 10.672 ( 0.484 11.380 2.294) 11.619 10.797 ( -0.194 -0.581 0.999) 1.171 10.861 ( -3.944 -4.597 0.170) 6.059 11.101 ( -6.663 -7.136 6.356) 11.650 11.558 ( 9.039 7.389 7.821) 14.052 11.987 ( 10.784 -13.332 4.112) 17.634 12.445 ( 12.495 7.442 -5.973) 15.722 12.602 ( 13.579 -1.650 -8.203) 15.950 13.042 ( 0.831 0.838 2.469) 2.737 13.054 ( 1.944 0.543 2.330) 3.083 13.109 ( 0.735 0.540 0.775) 1.197 13.124 ( 2.236 0.633 0.864) 2.479 ======================= Grid point 107 (60/84) ======================= q-point: (-0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.053 9.360 14.258) 17.055 1.056 ( -2.965 13.146 15.418) 20.478 1.273 ( -1.704 -10.512 -4.404) 11.524 1.502 ( 0.064 -0.286 5.189) 5.197 1.594 ( -4.361 7.123 1.144) 8.430 1.706 ( 3.344 -1.702 -4.688) 6.005 1.857 ( -0.148 2.903 -7.749) 8.276 1.958 ( 6.291 -3.039 -2.366) 7.376 2.037 ( -3.669 -3.691 -3.170) 6.094 2.130 ( -0.608 1.827 -2.921) 3.498 2.207 ( -0.921 0.708 0.966) 1.511 2.231 ( 0.046 0.568 -7.254) 7.276 2.320 ( 4.075 6.775 -0.177) 7.908 2.370 ( 3.634 -2.734 3.748) 5.893 2.494 ( -2.846 1.108 -3.322) 4.513 2.609 ( 1.694 2.091 -1.892) 3.289 2.621 ( 3.835 -0.445 3.935) 5.512 2.662 ( 4.354 3.549 -0.167) 5.619 2.780 ( -1.595 -8.168 -1.787) 8.512 2.851 ( -1.630 1.576 4.922) 5.419 3.020 ( -0.863 -3.337 0.216) 3.454 3.069 ( -3.088 0.864 -4.583) 5.593 3.181 ( -0.924 -2.268 0.506) 2.501 3.209 ( -2.337 1.725 -1.238) 3.157 3.240 ( -1.215 0.037 1.732) 2.116 3.256 ( 0.355 -8.211 1.432) 8.342 3.364 ( 0.435 -0.642 -3.042) 3.140 3.418 ( -2.071 -0.590 0.893) 2.331 3.515 ( -4.372 2.266 -4.832) 6.899 3.670 ( 7.081 3.718 1.806) 8.199 3.691 ( -5.899 -5.674 -5.261) 9.729 3.820 ( -1.275 -6.998 1.107) 7.199 3.899 ( -0.718 2.167 -2.086) 3.093 4.042 ( 1.349 0.191 3.257) 3.530 4.128 ( 3.855 1.058 2.538) 4.735 4.195 ( -1.406 0.260 -0.233) 1.449 4.244 ( 2.151 -2.218 2.814) 4.179 4.337 ( -3.594 -2.977 -1.404) 4.873 4.396 ( -3.194 -0.889 -1.873) 3.808 4.423 ( -3.384 -0.924 -0.035) 3.508 4.522 ( 4.876 0.187 -1.496) 5.103 4.535 ( 1.470 -0.188 -0.077) 1.483 4.590 ( 0.696 2.869 -1.746) 3.429 4.627 ( 1.909 1.203 0.226) 2.268 4.666 ( 1.019 4.577 1.222) 4.846 4.758 ( -1.806 2.702 -0.132) 3.252 4.829 ( -3.062 0.286 3.539) 4.688 4.947 ( -4.069 -2.896 0.374) 5.009 5.037 ( -0.481 0.709 -1.044) 1.351 5.084 ( 0.403 1.671 -1.701) 2.418 5.121 ( -2.002 3.366 -1.505) 4.196 5.154 ( -0.557 1.879 -0.194) 1.969 5.245 ( -0.319 0.306 0.329) 0.551 5.282 ( -0.862 -1.386 0.063) 1.633 5.408 ( -2.237 1.446 1.615) 3.115 5.533 ( -4.218 0.647 0.715) 4.326 5.544 ( -1.290 -1.889 -3.869) 4.495 5.622 ( -2.473 -1.461 -4.411) 5.264 5.641 ( -5.450 0.613 -0.224) 5.489 5.668 ( -4.137 0.281 -3.291) 5.294 6.044 ( -0.108 3.125 3.654) 4.810 6.172 ( 1.597 -2.869 -0.725) 3.362 6.485 ( 2.654 0.884 3.283) 4.313 6.571 ( 0.297 -3.118 2.872) 4.249 6.717 ( -3.641 3.683 2.854) 5.913 6.835 ( -3.734 -0.396 -0.909) 3.863 7.034 ( -2.488 -1.049 -1.632) 3.155 7.077 ( -1.799 -0.552 -2.341) 3.004 7.099 ( 1.654 0.003 2.287) 2.823 7.152 ( 1.560 -1.254 -2.346) 3.084 7.189 ( -5.891 3.285 1.583) 6.928 7.282 ( -3.918 -0.650 1.326) 4.187 7.310 ( -3.806 0.434 0.085) 3.832 7.384 ( -3.003 -2.337 0.421) 3.829 7.432 ( -5.092 3.038 -1.932) 6.236 7.574 ( -5.145 -2.316 -2.693) 6.252 7.681 ( -3.865 1.750 1.069) 4.375 7.684 ( -4.818 1.492 1.708) 5.325 7.825 ( -6.769 -3.538 1.919) 7.875 7.896 ( -0.757 -4.415 -2.606) 5.183 8.113 ( -3.672 -0.310 2.466) 4.434 8.163 ( -1.709 -2.358 -1.338) 3.205 8.301 ( 0.294 4.915 -1.984) 5.309 8.439 ( 0.910 -1.761 -5.877) 6.203 8.667 ( 1.080 3.668 3.671) 5.300 8.775 ( 1.752 2.308 6.308) 6.942 8.818 ( 1.009 -0.794 0.763) 1.494 8.888 ( -0.046 0.717 0.044) 0.719 8.930 ( 1.434 0.636 2.229) 2.725 9.010 ( 0.326 -0.569 0.562) 0.863 9.091 ( 2.040 -3.329 -1.577) 4.211 9.113 ( -0.586 -4.582 1.174) 4.766 9.263 ( 0.997 2.024 -0.172) 2.262 9.313 ( -1.936 0.892 0.163) 2.138 9.452 ( 0.888 0.648 -0.221) 1.121 9.462 ( -0.004 2.036 -0.519) 2.101 9.604 ( -0.154 -0.971 1.128) 1.496 9.653 ( 1.225 -1.620 2.552) 3.261 9.719 ( 2.134 -1.260 1.252) 2.776 9.756 ( 0.624 -6.562 -1.480) 6.755 9.793 ( 6.013 0.470 5.216) 7.975 9.853 ( 0.838 0.290 4.837) 4.918 10.037 ( 4.210 -4.625 -1.597) 6.455 10.061 ( 3.419 -5.177 -3.875) 7.315 10.244 ( 1.343 7.333 -6.245) 9.725 10.350 ( -0.627 5.985 -2.860) 6.662 10.436 ( -0.625 0.638 -4.082) 4.178 10.479 ( -2.780 -1.762 -2.678) 4.243 10.696 ( 1.485 8.352 0.856) 8.526 10.784 ( -1.750 0.350 0.891) 1.995 10.817 ( -0.877 -0.025 0.327) 0.936 10.967 ( -5.597 -2.516 -1.173) 6.248 11.743 ( 8.369 4.790 10.630) 14.352 12.136 ( 4.549 -13.756 1.660) 14.584 12.640 ( 6.985 7.639 -2.696) 10.696 12.809 ( 6.533 -2.836 -6.677) 9.763 13.059 ( 0.643 1.454 2.915) 3.320 13.105 ( 1.208 -0.803 4.201) 4.445 13.129 ( 2.477 2.988 -0.385) 3.900 13.214 ( 7.363 0.419 -1.527) 7.532 ======================= Grid point 108 (61/84) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 1.071 -13.800 4.800) 14.651 0.969 ( 1.071 13.800 4.800) 14.651 1.352 ( -1.169 -15.217 15.667) 21.872 1.352 ( -1.169 15.217 15.667) 21.872 1.750 ( -2.093 -12.633 -5.297) 13.857 1.750 ( -2.093 12.633 -5.297) 13.857 1.876 ( 6.540 -3.721 -8.648) 11.463 1.876 ( 6.540 3.721 -8.648) 11.463 2.133 ( -0.214 -7.044 -14.265) 15.911 2.133 ( -0.214 7.044 -14.265) 15.911 2.250 ( -0.809 -9.314 10.208) 13.842 2.250 ( -0.809 9.314 10.208) 13.842 2.394 ( -5.165 -7.445 0.393) 9.070 2.394 ( -5.165 7.445 0.393) 9.070 2.474 ( 3.188 -11.951 -1.940) 12.520 2.474 ( 3.188 11.951 -1.940) 12.520 2.686 ( 3.050 -4.331 1.371) 5.472 2.686 ( 3.050 4.331 1.371) 5.472 2.786 ( -2.029 -3.493 4.410) 5.980 2.786 ( -2.029 3.493 4.410) 5.980 3.057 ( -0.044 -7.532 -1.356) 7.653 3.057 ( -0.044 7.532 -1.356) 7.653 3.106 ( -1.409 -4.666 3.944) 6.270 3.106 ( -1.409 4.666 3.944) 6.270 3.271 ( -0.818 -3.485 -1.669) 3.949 3.271 ( -0.818 3.485 -1.669) 3.949 3.327 ( -0.888 -2.172 -5.510) 5.989 3.327 ( -0.888 2.172 -5.510) 5.989 3.495 ( -1.642 -6.964 -2.303) 7.517 3.495 ( -1.642 6.964 -2.303) 7.517 3.768 ( 0.806 -1.588 0.769) 1.940 3.768 ( 0.806 1.588 0.769) 1.940 3.951 ( -0.033 -3.040 -1.450) 3.369 3.951 ( -0.033 3.040 -1.450) 3.369 4.197 ( -0.331 -1.214 -0.604) 1.396 4.197 ( -0.331 1.214 -0.604) 1.396 4.252 ( -0.454 -0.707 -0.086) 0.844 4.252 ( -0.454 0.707 -0.086) 0.844 4.419 ( 3.828 -1.541 0.323) 4.139 4.419 ( 3.828 1.541 0.323) 4.139 4.557 ( -1.490 -1.006 1.560) 2.380 4.557 ( -1.490 1.006 1.560) 2.380 4.638 ( 0.518 -1.940 -0.156) 2.014 4.638 ( 0.518 1.940 -0.156) 2.014 4.753 ( -1.156 -1.256 1.432) 2.228 4.753 ( -1.156 1.256 1.432) 2.228 4.827 ( 1.980 -3.437 1.340) 4.187 4.827 ( 1.980 3.437 1.340) 4.187 5.086 ( 1.491 -1.868 -4.027) 4.683 5.086 ( 1.491 1.868 -4.027) 4.683 5.156 ( -0.945 -0.257 0.343) 1.038 5.156 ( -0.945 0.257 0.343) 1.038 5.239 ( -1.629 -1.222 2.856) 3.508 5.239 ( -1.629 1.222 2.856) 3.508 5.457 ( 0.138 -4.756 -3.238) 5.756 5.457 ( 0.138 4.756 -3.238) 5.756 5.520 ( -0.976 -2.317 -0.936) 2.682 5.520 ( -0.976 2.317 -0.936) 2.682 5.625 ( 0.926 -0.747 -3.664) 3.852 5.625 ( 0.926 0.747 -3.664) 3.852 6.135 ( 0.554 -4.391 1.271) 4.605 6.135 ( 0.554 4.391 1.271) 4.605 6.564 ( 2.268 -1.986 0.651) 3.084 6.564 ( 2.268 1.986 0.651) 3.084 6.751 ( 0.378 -3.549 3.077) 4.712 6.751 ( 0.378 3.549 3.077) 4.712 6.969 ( -3.747 -1.076 -4.492) 5.948 6.969 ( -3.747 1.076 -4.492) 5.948 7.153 ( -1.124 -1.433 2.039) 2.734 7.153 ( -1.124 1.433 2.039) 2.734 7.182 ( 2.872 -1.236 -1.447) 3.445 7.182 ( 2.872 1.236 -1.447) 3.445 7.323 ( 0.521 -2.109 0.877) 2.342 7.323 ( 0.521 2.109 0.877) 2.342 7.458 ( -0.096 -2.767 -2.416) 3.675 7.458 ( -0.096 2.767 -2.416) 3.675 7.621 ( -3.441 -2.161 5.842) 7.116 7.621 ( -3.441 2.161 5.842) 7.116 7.799 ( 0.899 -5.672 -1.334) 5.896 7.799 ( 0.899 5.672 -1.334) 5.896 8.101 ( 0.100 -2.525 3.340) 4.188 8.101 ( 0.100 2.525 3.340) 4.188 8.398 ( 0.083 -3.417 -5.840) 6.767 8.398 ( 0.083 3.417 -5.840) 6.767 8.770 ( 0.740 -3.998 3.186) 5.166 8.770 ( 0.740 3.998 3.186) 5.166 8.847 ( -0.846 -1.821 3.102) 3.695 8.847 ( -0.846 1.821 3.102) 3.695 8.983 ( -2.109 -2.641 1.067) 3.544 8.983 ( -2.109 2.641 1.067) 3.544 9.057 ( 2.398 -2.655 -1.553) 3.900 9.057 ( 2.398 2.655 -1.553) 3.900 9.303 ( -0.126 -1.407 2.684) 3.033 9.303 ( -0.126 1.407 2.684) 3.033 9.455 ( -0.787 -0.437 -1.012) 1.354 9.455 ( -0.787 0.437 -1.012) 1.354 9.609 ( -0.789 -1.918 1.675) 2.666 9.609 ( -0.789 1.918 1.675) 2.666 9.725 ( 0.995 -2.019 -3.841) 4.452 9.725 ( 0.995 2.019 -3.841) 4.452 9.857 ( -1.521 -1.596 7.390) 7.712 9.857 ( -1.521 1.596 7.390) 7.712 10.089 ( 5.423 -4.859 -0.458) 7.296 10.089 ( 5.423 4.859 -0.458) 7.296 10.323 ( -3.294 -4.265 -5.822) 7.933 10.323 ( -3.294 4.265 -5.822) 7.933 10.432 ( 0.695 -3.310 -4.658) 5.756 10.432 ( 0.695 3.310 -4.658) 5.756 10.781 ( 1.368 -1.523 1.794) 2.722 10.781 ( 1.368 1.523 1.794) 2.722 10.883 ( 0.339 -2.428 -3.344) 4.147 10.883 ( 0.339 2.428 -3.344) 4.147 11.963 ( 0.113 -8.380 7.879) 11.502 11.963 ( 0.113 8.380 7.879) 11.502 12.789 ( -1.105 -3.999 -4.527) 6.141 12.789 ( -1.105 3.999 -4.527) 6.141 13.091 ( -0.285 -1.025 3.211) 3.383 13.091 ( -0.285 1.025 3.211) 3.383 13.262 ( 0.150 -4.213 -1.998) 4.665 13.262 ( 0.150 4.213 -1.998) 4.665 ======================= Grid point 110 (62/84) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 3.666 -13.466 2.811) 14.236 1.038 ( 3.666 13.466 2.811) 14.236 1.306 ( -0.625 -12.523 13.539) 18.453 1.306 ( -0.625 12.523 13.539) 18.453 1.767 ( 2.527 -8.637 -4.924) 10.258 1.767 ( 2.527 8.637 -4.924) 10.258 1.969 ( 0.474 -7.427 -14.768) 16.538 1.969 ( 0.474 7.427 -14.768) 16.538 2.046 ( -5.912 -4.746 -7.102) 10.388 2.046 ( -5.912 4.746 -7.102) 10.388 2.238 ( -3.629 -1.650 -1.946) 4.436 2.238 ( -3.629 1.650 -1.946) 4.436 2.344 ( 4.966 -5.078 7.716) 10.487 2.344 ( 4.966 5.078 7.716) 10.487 2.570 ( 2.358 -7.032 2.334) 7.775 2.570 ( 2.358 7.032 2.334) 7.775 2.637 ( -4.400 -6.440 -1.124) 7.880 2.637 ( -4.400 6.440 -1.124) 7.880 2.792 ( 2.321 -5.974 5.799) 8.643 2.792 ( 2.321 5.974 5.799) 8.643 2.994 ( -5.160 -2.947 1.204) 6.063 2.994 ( -5.160 2.947 1.204) 6.063 3.112 ( 0.603 -7.345 -0.324) 7.377 3.112 ( 0.603 7.345 -0.324) 7.377 3.247 ( 0.328 -5.290 -1.671) 5.557 3.247 ( 0.328 5.290 -1.671) 5.557 3.389 ( 4.943 -3.627 0.925) 6.200 3.389 ( 4.943 3.627 0.925) 6.200 3.489 ( 0.492 -7.742 -1.051) 7.828 3.489 ( 0.492 7.742 -1.051) 7.828 3.749 ( -2.401 -3.261 -0.180) 4.054 3.749 ( -2.401 3.261 -0.180) 4.054 3.961 ( 0.188 -3.333 -0.956) 3.472 3.961 ( 0.188 3.333 -0.956) 3.472 4.198 ( -0.105 -2.025 -0.516) 2.092 4.198 ( -0.105 2.025 -0.516) 2.092 4.280 ( 3.871 -4.870 -1.269) 6.349 4.280 ( 3.871 4.870 -1.269) 6.349 4.463 ( -1.493 -3.717 -1.839) 4.408 4.463 ( -1.493 3.717 -1.839) 4.408 4.514 ( -0.281 -1.196 1.411) 1.871 4.514 ( -0.281 1.196 1.411) 1.871 4.629 ( -1.391 -4.462 -0.118) 4.675 4.629 ( -1.391 4.462 -0.118) 4.675 4.767 ( 2.488 -2.385 -0.762) 3.530 4.767 ( 2.488 2.385 -0.762) 3.530 4.888 ( 3.096 -3.153 1.375) 4.628 4.888 ( 3.096 3.153 1.375) 4.628 5.096 ( -4.161 -1.192 -0.967) 4.435 5.096 ( -4.161 1.192 -0.967) 4.435 5.138 ( 3.072 -2.021 -1.209) 3.871 5.138 ( 3.072 2.021 -1.209) 3.871 5.222 ( 0.318 -2.608 2.413) 3.567 5.222 ( 0.318 2.608 2.413) 3.567 5.483 ( 2.620 -3.788 -2.319) 5.157 5.483 ( 2.620 3.788 -2.319) 5.157 5.528 ( 1.806 -1.474 -1.079) 2.568 5.528 ( 1.806 1.474 -1.079) 2.568 5.696 ( 6.154 -0.622 -2.824) 6.799 5.696 ( 6.154 0.622 -2.824) 6.799 6.133 ( -0.373 -4.873 0.668) 4.932 6.133 ( -0.373 4.873 0.668) 4.932 6.598 ( 1.559 -1.966 -0.799) 2.633 6.598 ( 1.559 1.966 -0.799) 2.633 6.811 ( 5.201 -3.165 4.679) 7.679 6.811 ( 5.201 3.165 4.679) 7.679 6.941 ( 0.702 -0.693 -3.634) 3.765 6.941 ( 0.702 0.693 -3.634) 3.765 7.154 ( 0.947 -0.623 0.993) 1.507 7.154 ( 0.947 0.623 0.993) 1.507 7.268 ( 5.203 -1.751 0.406) 5.504 7.268 ( 5.203 1.751 0.406) 5.504 7.348 ( 2.679 -4.297 0.121) 5.065 7.348 ( 2.679 4.297 0.121) 5.065 7.493 ( 2.872 -0.266 -4.245) 5.132 7.493 ( 2.872 0.266 -4.245) 5.132 7.586 ( 0.566 -3.518 7.178) 8.014 7.586 ( 0.566 3.518 7.178) 8.014 7.844 ( 3.624 -5.548 0.181) 6.629 7.844 ( 3.624 5.548 0.181) 6.629 8.123 ( 1.919 -3.968 2.590) 5.112 8.123 ( 1.919 3.968 2.590) 5.112 8.389 ( -0.573 -2.504 -6.107) 6.625 8.389 ( -0.573 2.504 -6.107) 6.625 8.769 ( -1.197 -2.984 2.872) 4.311 8.769 ( -1.197 2.984 2.872) 4.311 8.835 ( -0.267 -1.355 3.224) 3.507 8.835 ( -0.267 1.355 3.224) 3.507 8.933 ( -2.880 -3.167 0.617) 4.325 8.933 ( -2.880 3.167 0.617) 4.325 9.115 ( 3.458 -3.119 -1.240) 4.819 9.115 ( 3.458 3.119 -1.240) 4.819 9.284 ( -1.543 -1.760 0.932) 2.519 9.284 ( -1.543 1.760 0.932) 2.519 9.461 ( 0.893 -1.641 0.569) 1.953 9.461 ( 0.893 1.641 0.569) 1.953 9.587 ( -1.291 -2.250 2.251) 3.434 9.587 ( -1.291 2.250 2.251) 3.434 9.714 ( -2.166 -3.522 -3.886) 5.674 9.714 ( -2.166 3.522 -3.886) 5.674 9.818 ( -2.389 -1.302 5.744) 6.356 9.818 ( -2.389 1.302 5.744) 6.356 10.122 ( -1.985 -4.691 -1.733) 5.381 10.122 ( -1.985 4.691 -1.733) 5.381 10.309 ( 0.541 -4.106 -3.566) 5.465 10.309 ( 0.541 4.106 -3.566) 5.465 10.441 ( 1.013 -4.921 -5.805) 7.677 10.441 ( 1.013 4.921 -5.805) 7.677 10.808 ( -0.100 -2.479 -1.715) 3.016 10.808 ( -0.100 2.479 -1.715) 3.016 10.925 ( 4.846 -6.242 0.205) 7.904 10.925 ( 4.846 6.242 0.205) 7.904 11.906 ( -5.553 -5.317 7.167) 10.510 11.906 ( -5.553 5.317 7.167) 10.510 12.692 ( -9.401 -4.954 -3.949) 11.336 12.692 ( -9.401 4.954 -3.949) 11.336 13.081 ( -0.773 -0.750 2.822) 3.020 13.081 ( -0.773 0.750 2.822) 3.020 13.198 ( -5.011 -2.818 -0.570) 5.777 13.198 ( -5.011 2.818 -0.570) 5.777 ======================= Grid point 112 (63/84) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.784 -15.786 1.903) 15.920 1.048 ( -0.784 15.786 1.903) 15.920 1.394 ( 5.014 -6.654 1.794) 8.522 1.394 ( 5.014 6.654 1.794) 8.522 1.741 ( -7.332 -3.663 -4.026) 9.132 1.741 ( -7.332 3.663 -4.026) 9.132 1.842 ( -1.795 -3.039 -4.162) 5.457 1.842 ( -1.795 3.039 -4.162) 5.457 2.066 ( 2.539 -5.045 -4.552) 7.254 2.066 ( 2.539 5.045 -4.552) 7.254 2.229 ( 1.351 -3.967 -6.746) 7.942 2.229 ( 1.351 3.967 -6.746) 7.942 2.379 ( -1.185 -4.508 -2.352) 5.221 2.379 ( -1.185 4.508 -2.352) 5.221 2.503 ( -5.433 -4.257 -0.375) 6.913 2.503 ( -5.433 4.257 -0.375) 6.913 2.696 ( 6.192 -3.908 3.251) 8.012 2.696 ( 6.192 3.908 3.251) 8.012 2.811 ( -0.091 -4.062 4.568) 6.113 2.811 ( -0.091 4.062 4.568) 6.113 2.934 ( -0.153 -4.833 3.505) 5.972 2.934 ( -0.153 4.833 3.505) 5.972 3.153 ( 2.689 -1.742 4.125) 5.224 3.153 ( 2.689 1.742 4.125) 5.224 3.233 ( -2.660 -8.352 2.909) 9.235 3.233 ( -2.660 8.352 2.909) 9.235 3.410 ( -2.019 -4.001 0.206) 4.486 3.410 ( -2.019 4.001 0.206) 4.486 3.548 ( 3.689 -3.573 0.150) 5.138 3.548 ( 3.689 3.573 0.150) 5.138 3.708 ( -0.606 -2.310 -0.660) 2.478 3.708 ( -0.606 2.310 -0.660) 2.478 3.937 ( -2.336 -7.193 -0.783) 7.603 3.937 ( -2.336 7.193 -0.783) 7.603 4.168 ( -3.929 -0.782 -1.250) 4.197 4.168 ( -3.929 0.782 -1.250) 4.197 4.380 ( 5.594 -5.626 -1.654) 8.105 4.380 ( 5.594 5.626 -1.654) 8.105 4.426 ( 0.045 -0.665 -0.127) 0.679 4.426 ( 0.045 0.665 -0.127) 0.679 4.516 ( -0.725 -1.757 -2.851) 3.426 4.516 ( -0.725 1.757 -2.851) 3.426 4.610 ( 0.612 -1.533 -0.516) 1.729 4.610 ( 0.612 1.533 -0.516) 1.729 4.815 ( 1.636 -3.208 -1.151) 3.781 4.815 ( 1.636 3.208 -1.151) 3.781 4.923 ( 0.550 -1.673 1.844) 2.550 4.923 ( 0.550 1.673 1.844) 2.550 5.043 ( -0.383 -1.711 -0.260) 1.772 5.043 ( -0.383 1.711 -0.260) 1.772 5.206 ( 3.106 -2.283 -1.315) 4.073 5.206 ( 3.106 2.283 -1.315) 4.073 5.238 ( 1.284 -2.922 1.668) 3.601 5.238 ( 1.284 2.922 1.668) 3.601 5.539 ( 2.868 -4.635 -2.157) 5.862 5.539 ( 2.868 4.635 -2.157) 5.862 5.594 ( 5.022 -1.971 0.078) 5.395 5.594 ( 5.022 1.971 0.078) 5.395 5.837 ( 7.884 -1.337 -2.028) 8.250 5.837 ( 7.884 1.337 -2.028) 8.250 6.133 ( 0.530 -4.956 -0.428) 5.002 6.133 ( 0.530 4.956 -0.428) 5.002 6.628 ( 1.323 -2.060 -1.059) 2.668 6.628 ( 1.323 2.060 -1.059) 2.668 6.910 ( 3.711 -2.719 6.826) 8.232 6.910 ( 3.711 2.719 6.826) 8.232 6.990 ( 4.588 -1.224 -3.444) 5.866 6.990 ( 4.588 1.224 -3.444) 5.866 7.178 ( 1.542 -0.438 -0.454) 1.666 7.178 ( 1.542 0.438 -0.454) 1.666 7.345 ( 3.024 -4.480 2.681) 6.034 7.345 ( 3.024 4.480 2.681) 6.034 7.435 ( 4.812 -3.109 2.117) 6.108 7.435 ( 4.812 3.109 2.117) 6.108 7.548 ( 4.272 -1.589 -1.871) 4.927 7.548 ( 4.272 1.589 -1.871) 4.927 7.670 ( 6.850 -4.515 2.026) 8.450 7.670 ( 6.850 4.515 2.026) 8.450 7.927 ( 4.788 -3.594 1.672) 6.216 7.927 ( 4.788 3.594 1.672) 6.216 8.164 ( 1.886 -5.418 -0.044) 5.737 8.164 ( 1.886 5.418 -0.044) 5.737 8.394 ( 1.945 -2.126 -5.176) 5.924 8.394 ( 1.945 2.126 -5.176) 5.924 8.724 ( -3.319 -2.128 2.764) 4.815 8.724 ( -3.319 2.128 2.764) 4.815 8.838 ( 0.067 -1.794 2.527) 3.100 8.838 ( 0.067 1.794 2.527) 3.100 8.878 ( -2.405 -2.732 1.044) 3.787 8.878 ( -2.405 2.732 1.044) 3.787 9.182 ( 3.184 -3.747 -2.122) 5.356 9.182 ( 3.184 3.747 -2.122) 5.356 9.264 ( -0.055 -1.015 -1.052) 1.463 9.264 ( -0.055 1.015 -1.052) 1.463 9.468 ( -0.524 -2.533 2.138) 3.355 9.468 ( -0.524 2.533 2.138) 3.355 9.563 ( -1.528 -4.960 2.327) 5.688 9.563 ( -1.528 4.960 2.327) 5.688 9.652 ( -3.561 -3.883 -2.823) 5.977 9.652 ( -3.561 3.883 -2.823) 5.977 9.769 ( -2.693 -1.622 4.306) 5.331 9.769 ( -2.693 1.622 4.306) 5.331 10.056 ( -4.170 -4.182 -4.004) 7.135 10.056 ( -4.170 4.182 -4.004) 7.135 10.286 ( -2.547 -3.600 -5.090) 6.735 10.286 ( -2.547 3.600 -5.090) 6.735 10.467 ( 0.927 -8.032 -2.189) 8.377 10.467 ( 0.927 8.032 -2.189) 8.377 10.795 ( -0.348 -3.099 -1.197) 3.341 10.795 ( -0.348 3.099 -1.197) 3.341 11.010 ( 2.095 -12.481 2.171) 12.841 11.010 ( 2.095 12.481 2.171) 12.841 11.801 ( -4.098 -2.474 5.251) 7.105 11.801 ( -4.098 2.474 5.251) 7.105 12.431 ( -16.400 -5.667 -3.685) 17.739 12.431 ( -16.400 5.667 -3.685) 17.739 13.060 ( -1.370 -0.235 1.782) 2.260 13.060 ( -1.370 0.235 1.782) 2.260 13.129 ( -1.897 -1.558 0.632) 2.535 13.129 ( -1.897 1.558 0.632) 2.535 ======================= Grid point 114 (64/84) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 2.359 -6.922 -5.348) 9.060 1.064 ( 2.359 6.922 -5.348) 9.060 1.290 ( -11.573 -5.324 -4.857) 13.633 1.290 ( -11.573 5.324 -4.857) 13.633 1.766 ( 6.192 -4.873 -1.609) 8.042 1.766 ( 6.192 4.873 -1.609) 8.042 1.849 ( 2.712 -1.972 -0.892) 3.470 1.849 ( 2.712 1.972 -0.892) 3.470 2.064 ( -4.118 -5.459 -1.364) 6.973 2.064 ( -4.118 5.459 -1.364) 6.973 2.236 ( -0.186 -6.521 -4.548) 7.953 2.236 ( -0.186 6.521 -4.548) 7.953 2.338 ( -0.497 -1.069 -1.563) 1.958 2.338 ( -0.497 1.069 -1.563) 1.958 2.501 ( 4.303 -3.579 -0.073) 5.598 2.501 ( 4.303 3.579 -0.073) 5.598 2.714 ( 0.461 -9.146 -2.509) 9.495 2.714 ( 0.461 9.146 -2.509) 9.495 2.878 ( -4.935 -2.368 1.537) 5.686 2.878 ( -4.935 2.368 1.537) 5.686 2.927 ( 4.825 -2.180 4.361) 6.860 2.927 ( 4.825 2.180 4.361) 6.860 3.132 ( -5.889 -4.851 6.011) 9.713 3.132 ( -5.889 4.851 6.011) 9.713 3.176 ( -1.877 -9.356 4.775) 10.670 3.176 ( -1.877 9.356 4.775) 10.670 3.384 ( -0.435 -1.726 0.906) 1.997 3.384 ( -0.435 1.726 0.906) 1.997 3.583 ( 0.785 -2.471 -3.068) 4.017 3.583 ( 0.785 2.471 -3.068) 4.017 3.741 ( 3.215 -7.769 3.132) 8.972 3.741 ( 3.215 7.769 3.132) 8.972 3.897 ( -1.492 -9.438 -1.898) 9.742 3.897 ( -1.492 9.438 -1.898) 9.742 4.069 ( -4.137 -1.297 0.436) 4.358 4.069 ( -4.137 1.297 0.436) 4.358 4.435 ( -0.389 -5.606 2.079) 5.992 4.435 ( -0.389 5.606 2.079) 5.992 4.467 ( 3.063 -1.235 -0.801) 3.398 4.467 ( 3.063 1.235 -0.801) 3.398 4.548 ( 4.657 -1.830 -3.150) 5.912 4.548 ( 4.657 1.830 -3.150) 5.912 4.643 ( 2.186 -0.901 -2.143) 3.191 4.643 ( 2.186 0.901 -2.143) 3.191 4.813 ( -1.553 -2.320 0.022) 2.792 4.813 ( -1.553 2.320 0.022) 2.792 4.929 ( 0.319 -2.887 -0.756) 3.001 4.929 ( 0.319 2.887 -0.756) 3.001 5.053 ( 0.618 -3.806 -0.847) 3.947 5.053 ( 0.618 3.806 -0.847) 3.947 5.231 ( 0.161 -3.327 -0.701) 3.404 5.231 ( 0.161 3.327 -0.701) 3.404 5.284 ( 2.765 -2.135 0.962) 3.624 5.284 ( 2.765 2.135 0.962) 3.624 5.587 ( 2.052 -4.826 -1.979) 5.605 5.587 ( 2.052 4.826 -1.979) 5.605 5.701 ( 5.554 -2.996 1.520) 6.491 5.701 ( 5.554 2.996 1.520) 6.491 5.970 ( 5.398 -1.362 -1.761) 5.839 5.970 ( 5.398 1.362 -1.761) 5.839 6.149 ( 0.934 -4.491 -1.505) 4.828 6.149 ( 0.934 4.491 -1.505) 4.828 6.635 ( -0.680 -1.409 -0.348) 1.603 6.635 ( -0.680 1.409 -0.348) 1.603 6.965 ( 2.423 -2.437 5.422) 6.420 6.965 ( 2.423 2.437 5.422) 6.420 7.068 ( 2.244 -3.408 0.396) 4.100 7.068 ( 2.244 3.408 0.396) 4.100 7.218 ( 2.688 -0.989 -1.027) 3.043 7.218 ( 2.688 0.989 -1.027) 3.043 7.392 ( 1.836 -4.188 1.087) 4.700 7.392 ( 1.836 4.188 1.087) 4.700 7.529 ( 5.271 -2.366 5.267) 7.818 7.529 ( 5.271 2.366 5.267) 7.818 7.650 ( 5.171 -3.394 -0.596) 6.214 7.650 ( 5.171 3.394 -0.596) 6.214 7.806 ( 6.555 -4.125 -1.190) 7.835 7.806 ( 6.555 4.125 -1.190) 7.835 8.032 ( 6.373 -2.266 3.051) 7.419 8.032 ( 6.373 2.266 3.051) 7.419 8.182 ( -0.037 -5.947 -2.294) 6.375 8.182 ( -0.037 5.947 -2.294) 6.375 8.474 ( 6.121 -2.640 -2.752) 7.212 8.474 ( 6.121 2.640 -2.752) 7.212 8.655 ( -3.478 -1.659 2.296) 4.485 8.655 ( -3.478 1.659 2.296) 4.485 8.805 ( -2.812 -2.118 0.535) 3.561 8.805 ( -2.812 2.118 0.535) 3.561 8.871 ( 0.536 -3.532 0.852) 3.672 8.871 ( 0.536 3.532 0.852) 3.672 9.208 ( -0.991 -5.815 -5.950) 8.379 9.208 ( -0.991 5.815 -5.950) 8.379 9.296 ( 3.065 -1.974 0.416) 3.669 9.296 ( 3.065 1.974 0.416) 3.669 9.426 ( -3.587 -3.069 1.979) 5.119 9.426 ( -3.587 3.069 1.979) 5.119 9.525 ( -2.288 -2.084 0.402) 3.121 9.525 ( -2.288 2.084 0.402) 3.121 9.595 ( -2.099 -2.285 2.038) 3.712 9.595 ( -2.099 2.285 2.038) 3.712 9.733 ( -0.702 -1.913 1.993) 2.850 9.733 ( -0.702 1.913 1.993) 2.850 9.972 ( -4.235 -4.655 -5.038) 8.061 9.972 ( -4.235 4.655 -5.038) 8.061 10.235 ( -1.960 -3.306 -4.620) 6.010 10.235 ( -1.960 3.306 -4.620) 6.010 10.449 ( -3.082 -9.819 0.635) 10.311 10.449 ( -3.082 9.819 0.635) 10.311 10.800 ( 0.565 -4.049 0.653) 4.141 10.800 ( 0.565 4.049 0.653) 4.141 10.991 ( -2.873 -10.971 2.771) 11.674 10.991 ( -2.873 10.971 2.771) 11.674 11.768 ( -0.867 -1.528 6.192) 6.436 11.768 ( -0.867 1.528 6.192) 6.436 12.132 ( -12.344 -6.359 -7.561) 15.811 12.132 ( -12.344 6.359 -7.561) 15.811 13.039 ( -0.679 -0.457 1.235) 1.482 13.039 ( -0.679 0.457 1.235) 1.482 13.109 ( -0.618 -0.935 0.706) 1.325 13.109 ( -0.618 0.935 0.706) 1.325 ======================= Grid point 116 (65/84) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -4.309 -6.499 -5.351) 9.457 1.051 ( -4.309 6.499 -5.351) 9.457 1.181 ( 1.962 -4.949 -11.367) 12.552 1.181 ( 1.962 4.949 -11.367) 12.552 1.825 ( -0.055 -2.148 -2.740) 3.482 1.825 ( -0.055 2.148 -2.740) 3.482 1.888 ( -3.108 -3.850 3.791) 6.234 1.888 ( -3.108 3.850 3.791) 6.234 2.006 ( 5.038 -2.081 -2.651) 6.061 2.006 ( 5.038 2.081 -2.651) 6.061 2.218 ( -2.762 -3.479 -3.806) 5.850 2.218 ( -2.762 3.479 -3.806) 5.850 2.432 ( 8.299 -5.270 -4.188) 10.686 2.432 ( 8.299 5.270 -4.188) 10.686 2.536 ( -1.744 -3.964 4.990) 6.607 2.536 ( -1.744 3.964 4.990) 6.607 2.734 ( -1.068 -2.211 1.023) 2.660 2.734 ( -1.068 2.211 1.023) 2.660 2.802 ( -0.458 -8.473 4.013) 9.387 2.802 ( -0.458 8.473 4.013) 9.387 2.904 ( -3.380 -4.480 2.514) 6.149 2.904 ( -3.380 4.480 2.514) 6.149 3.027 ( -5.540 -8.387 -1.105) 10.112 3.027 ( -5.540 8.387 -1.105) 10.112 3.180 ( 2.474 -1.211 3.933) 4.802 3.180 ( 2.474 1.211 3.933) 4.802 3.390 ( 1.389 -5.049 -2.096) 5.640 3.390 ( 1.389 5.049 -2.096) 5.640 3.587 ( -0.853 -1.457 0.145) 1.695 3.587 ( -0.853 1.457 0.145) 1.695 3.721 ( -4.636 -5.354 -0.754) 7.122 3.721 ( -4.636 5.354 -0.754) 7.122 3.941 ( 4.645 -2.707 3.207) 6.260 3.941 ( 4.645 2.707 3.207) 6.260 4.065 ( 3.502 -2.340 -0.612) 4.256 4.065 ( 3.502 2.340 -0.612) 4.256 4.406 ( -2.672 -4.055 5.368) 7.238 4.406 ( -2.672 4.055 5.368) 7.238 4.509 ( 1.163 -0.565 0.192) 1.307 4.509 ( 1.163 0.565 0.192) 1.307 4.610 ( 0.769 -0.987 -2.134) 2.474 4.610 ( 0.769 0.987 -2.134) 2.474 4.676 ( 0.601 -1.253 -0.818) 1.612 4.676 ( 0.601 1.253 -0.818) 1.612 4.789 ( 0.217 -1.889 -3.305) 3.813 4.789 ( 0.217 1.889 -3.305) 3.813 4.938 ( 0.732 -2.852 -2.293) 3.732 4.938 ( 0.732 2.852 -2.293) 3.732 5.055 ( -0.339 -3.986 -0.595) 4.044 5.055 ( -0.339 3.986 -0.595) 4.044 5.227 ( -0.445 -3.073 -0.608) 3.164 5.227 ( -0.445 3.073 -0.608) 3.164 5.325 ( 1.353 -1.424 0.578) 2.048 5.325 ( 1.353 1.424 0.578) 2.048 5.612 ( 0.513 -4.158 -2.049) 4.664 5.612 ( 0.513 4.158 -2.049) 4.664 5.794 ( 3.827 -2.648 2.778) 5.420 5.794 ( 3.827 2.648 2.778) 5.420 6.030 ( 0.729 -0.484 -1.916) 2.106 6.030 ( 0.729 0.484 -1.916) 2.106 6.158 ( -0.218 -3.360 -1.862) 3.848 6.158 ( -0.218 3.360 -1.862) 3.848 6.606 ( -2.071 -0.849 1.226) 2.552 6.606 ( -2.071 0.849 1.226) 2.552 6.999 ( 0.318 -3.905 7.022) 8.042 6.999 ( 0.318 3.905 7.022) 8.042 7.079 ( 0.041 -3.136 -0.370) 3.158 7.079 ( 0.041 3.136 -0.370) 3.158 7.266 ( 1.713 -1.594 -0.515) 2.396 7.266 ( 1.713 1.594 -0.515) 2.396 7.414 ( 0.297 -2.449 -0.753) 2.579 7.414 ( 0.297 2.449 -0.753) 2.579 7.616 ( 2.456 -2.189 6.559) 7.338 7.616 ( 2.456 2.189 6.559) 7.338 7.729 ( 3.375 -2.067 -0.169) 3.961 7.729 ( 3.375 2.067 -0.169) 3.961 7.903 ( 3.425 -3.426 -2.156) 5.302 7.903 ( 3.425 3.426 -2.156) 5.302 8.133 ( -0.458 -7.454 -4.126) 8.531 8.133 ( -0.458 7.454 -4.126) 8.531 8.210 ( 7.183 -0.938 5.728) 9.236 8.210 ( 7.183 0.938 5.728) 9.236 8.554 ( -1.112 -1.743 0.257) 2.084 8.554 ( -1.112 1.743 0.257) 2.084 8.658 ( 6.230 -5.107 0.440) 8.068 8.658 ( 6.230 5.107 0.440) 8.068 8.747 ( -3.197 -2.989 -0.320) 4.388 8.747 ( -3.197 2.989 -0.320) 4.388 8.856 ( -2.111 -4.759 -1.986) 5.572 8.856 ( -2.111 4.759 -1.986) 5.572 9.123 ( -7.038 -4.790 -6.968) 11.001 9.123 ( -7.038 4.790 -6.968) 11.001 9.347 ( 1.845 -1.728 0.051) 2.528 9.347 ( 1.845 1.728 0.051) 2.528 9.404 ( -0.069 -3.013 1.723) 3.471 9.404 ( -0.069 3.013 1.723) 3.471 9.460 ( -1.757 -0.448 3.177) 3.658 9.460 ( -1.757 0.448 3.177) 3.658 9.606 ( 2.750 -2.197 1.364) 3.775 9.606 ( 2.750 2.197 1.364) 3.775 9.731 ( -0.315 -2.165 -2.436) 3.274 9.731 ( -0.315 2.165 -2.436) 3.274 9.907 ( -1.711 -2.765 -3.080) 4.479 9.907 ( -1.711 2.765 -3.080) 4.479 10.209 ( -2.088 -2.645 0.095) 3.371 10.209 ( -2.088 2.645 0.095) 3.371 10.374 ( -2.328 -1.484 -1.238) 3.026 10.374 ( -2.328 1.484 -1.238) 3.026 10.800 ( -1.013 -8.211 4.403) 9.372 10.800 ( -1.013 8.211 4.403) 9.372 10.965 ( 0.937 -5.610 -0.045) 5.688 10.965 ( 0.937 5.610 -0.045) 5.688 11.683 ( -7.631 -0.516 8.797) 11.657 11.683 ( -7.631 0.516 8.797) 11.657 12.039 ( 2.275 -7.018 -11.604) 13.751 12.039 ( 2.275 7.018 -11.604) 13.751 13.034 ( 0.037 -0.730 1.202) 1.407 13.034 ( 0.037 0.730 1.202) 1.407 13.099 ( -0.469 -0.705 0.497) 0.982 13.099 ( -0.469 0.705 0.497) 0.982 ======================= Grid point 118 (66/84) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 2.079 -7.252 -5.707) 9.459 1.033 ( 2.079 7.252 -5.707) 9.459 1.227 ( 3.527 -3.380 -12.620) 13.532 1.227 ( 3.527 3.380 -12.620) 13.532 1.705 ( -7.582 -2.651 3.265) 8.670 1.705 ( -7.582 2.651 3.265) 8.670 1.957 ( 5.214 -1.771 -2.715) 6.140 1.957 ( 5.214 1.771 -2.715) 6.140 2.080 ( -4.275 -2.800 -1.509) 5.328 2.080 ( -4.275 2.800 -1.509) 5.328 2.186 ( 7.488 -6.235 -0.962) 9.791 2.186 ( 7.488 6.235 -0.962) 9.791 2.399 ( -7.252 -1.237 -5.402) 9.127 2.399 ( -7.252 1.237 -5.402) 9.127 2.610 ( -7.691 -9.233 5.261) 13.118 2.610 ( -7.691 9.233 5.261) 13.118 2.682 ( 9.979 -2.115 1.816) 10.361 2.682 ( 9.979 2.115 1.816) 10.361 2.798 ( -2.839 -9.191 1.782) 9.783 2.798 ( -2.839 9.191 1.782) 9.783 2.889 ( 1.651 -2.699 2.308) 3.916 2.889 ( 1.651 2.699 2.308) 3.916 3.016 ( 4.773 -3.588 0.695) 6.011 3.016 ( 4.773 3.588 0.695) 6.011 3.234 ( 2.720 -1.504 1.092) 3.294 3.234 ( 2.720 1.504 1.092) 3.294 3.399 ( -1.552 -0.235 0.243) 1.588 3.399 ( -1.552 0.235 0.243) 1.588 3.541 ( -1.181 -2.859 -1.590) 3.477 3.541 ( -1.181 2.859 -1.590) 3.477 3.687 ( 0.263 -2.611 1.546) 3.046 3.687 ( 0.263 2.611 1.546) 3.046 3.991 ( 0.218 -0.769 1.888) 2.050 3.991 ( 0.218 0.769 1.888) 2.050 4.129 ( 1.264 -1.373 -1.570) 2.438 4.129 ( 1.264 1.373 -1.570) 2.438 4.342 ( -3.588 -2.643 4.075) 6.039 4.342 ( -3.588 2.643 4.075) 6.039 4.533 ( 1.579 -1.581 1.537) 2.712 4.533 ( 1.579 1.581 1.537) 2.712 4.589 ( -1.624 -1.114 -0.912) 2.170 4.589 ( -1.624 1.114 -0.912) 2.170 4.667 ( -1.260 -2.294 -2.947) 3.942 4.667 ( -1.260 2.294 -2.947) 3.942 4.804 ( 0.159 -3.042 -1.581) 3.432 4.804 ( 0.159 3.042 -1.581) 3.432 4.953 ( 0.699 -3.279 -4.098) 5.295 4.953 ( 0.699 3.279 -4.098) 5.295 5.050 ( 0.073 -2.624 1.350) 2.952 5.050 ( 0.073 2.624 1.350) 2.952 5.216 ( -0.674 -2.554 -0.743) 2.744 5.216 ( -0.674 2.554 -0.743) 2.744 5.333 ( -0.518 -1.377 0.331) 1.508 5.333 ( -0.518 1.377 0.331) 1.508 5.605 ( -1.191 -3.318 -2.189) 4.150 5.605 ( -1.191 3.318 -2.189) 4.150 5.837 ( 0.205 -1.343 2.662) 2.988 5.837 ( 0.205 1.343 2.662) 2.988 5.998 ( -3.757 -0.766 -1.988) 4.319 5.998 ( -3.757 0.766 -1.988) 4.319 6.139 ( -1.583 -2.393 -1.316) 3.157 6.139 ( -1.583 2.393 -1.316) 3.157 6.566 ( -2.012 -2.087 3.271) 4.371 6.566 ( -2.012 2.087 3.271) 4.371 6.972 ( -2.506 -5.169 5.582) 8.009 6.972 ( -2.506 5.169 5.582) 8.009 7.086 ( 0.088 -1.410 0.779) 1.614 7.086 ( 0.088 1.410 0.779) 1.614 7.271 ( -1.325 -2.289 -0.759) 2.752 7.271 ( -1.325 2.289 -0.759) 2.752 7.406 ( -0.856 -1.171 -0.090) 1.454 7.406 ( -0.856 1.171 -0.090) 1.454 7.601 ( -3.603 -0.566 4.707) 5.955 7.601 ( -3.603 0.566 4.707) 5.955 7.780 ( 0.864 -0.469 0.171) 0.998 7.780 ( 0.864 0.469 0.171) 0.998 7.932 ( -0.185 -4.347 -1.221) 4.519 7.932 ( -0.185 4.347 -1.221) 4.519 8.098 ( -1.755 -6.999 -4.830) 8.683 8.098 ( -1.755 6.999 -4.830) 8.683 8.339 ( 2.741 -1.079 5.969) 6.656 8.339 ( 2.741 1.079 5.969) 6.656 8.496 ( -3.911 -2.064 -2.774) 5.220 8.496 ( -3.911 2.064 -2.774) 5.220 8.661 ( -3.797 -2.957 -0.170) 4.815 8.661 ( -3.797 2.957 -0.170) 4.815 8.765 ( 0.460 -2.868 -1.244) 3.160 8.765 ( 0.460 2.868 -1.244) 3.160 8.866 ( 5.891 -4.362 2.224) 7.660 8.866 ( 5.891 4.362 2.224) 7.660 9.011 ( -3.081 -4.405 -5.061) 7.384 9.011 ( -3.081 4.405 -5.061) 7.384 9.348 ( -1.245 -2.318 2.529) 3.650 9.348 ( -1.245 2.318 2.529) 3.650 9.381 ( 0.229 -2.522 -0.350) 2.557 9.381 ( 0.229 2.522 -0.350) 2.557 9.513 ( 4.011 -2.354 1.909) 5.027 9.513 ( 4.011 2.354 1.909) 5.027 9.659 ( 1.545 -3.617 0.612) 3.980 9.659 ( 1.545 3.617 0.612) 3.980 9.696 ( -2.651 -0.524 -5.116) 5.786 9.696 ( -2.651 0.524 -5.116) 5.786 9.934 ( 4.123 -4.242 -3.423) 6.835 9.934 ( 4.123 4.242 -3.423) 6.835 10.131 ( -3.750 -8.114 3.078) 9.454 10.131 ( -3.750 8.114 3.078) 9.454 10.423 ( 5.918 -11.640 -2.536) 13.302 10.423 ( 5.918 11.640 -2.536) 13.302 10.772 ( -1.500 -6.212 5.525) 8.447 10.772 ( -1.500 6.212 5.525) 8.447 10.999 ( 1.243 -11.972 -0.998) 12.078 10.999 ( 1.243 11.972 -0.998) 12.078 11.571 ( -2.700 -1.598 7.994) 8.588 11.571 ( -2.700 1.598 7.994) 8.588 12.136 ( 7.234 -6.845 -10.426) 14.418 12.136 ( 7.234 6.845 -10.426) 14.418 13.037 ( 0.142 -0.693 1.172) 1.369 13.037 ( 0.142 0.693 1.172) 1.369 13.093 ( 0.010 -0.322 0.624) 0.702 13.093 ( 0.010 0.322 0.624) 0.702 ======================= Grid point 120 (67/84) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -0.155 -4.165 -7.106) 8.238 1.052 ( -0.155 4.165 -7.106) 8.238 1.374 ( 10.661 -3.655 -5.205) 12.414 1.374 ( 10.661 3.655 -5.205) 12.414 1.568 ( -6.204 -5.778 3.234) 9.074 1.568 ( -6.204 5.778 3.234) 9.074 1.916 ( -5.537 -3.994 -2.361) 7.224 1.916 ( -5.537 3.994 -2.361) 7.224 2.093 ( 3.592 -1.983 -0.615) 4.149 2.093 ( 3.592 1.983 -0.615) 4.149 2.275 ( -4.307 -4.516 -4.524) 7.708 2.275 ( -4.307 4.516 -4.524) 7.708 2.327 ( 0.018 -7.320 -4.489) 8.586 2.327 ( 0.018 7.320 -4.489) 8.586 2.500 ( 1.763 -5.018 2.171) 5.745 2.500 ( 1.763 5.018 2.171) 5.745 2.708 ( -2.260 -8.539 -2.414) 9.157 2.708 ( -2.260 8.539 -2.414) 9.157 2.839 ( 0.852 -1.956 1.142) 2.420 2.839 ( 0.852 1.956 1.142) 2.420 2.965 ( 4.724 -1.161 4.014) 6.307 2.965 ( 4.724 1.161 4.014) 6.307 3.087 ( 2.547 -1.280 5.858) 6.515 3.087 ( 2.547 1.280 5.858) 6.515 3.267 ( 0.260 -0.333 3.664) 3.688 3.267 ( 0.260 0.333 3.664) 3.688 3.409 ( 2.838 -5.057 -0.176) 5.802 3.409 ( 2.838 5.057 -0.176) 5.802 3.556 ( 1.982 -4.944 -3.778) 6.531 3.556 ( 1.982 4.944 -3.778) 6.531 3.699 ( 2.083 -2.720 3.895) 5.187 3.699 ( 2.083 2.720 3.895) 5.187 3.940 ( -4.338 -1.681 1.333) 4.840 3.940 ( -4.338 1.681 1.333) 4.840 4.134 ( -0.940 -1.138 -2.995) 3.339 4.134 ( -0.940 1.138 -2.995) 3.339 4.288 ( -1.063 -0.603 0.213) 1.241 4.288 ( -1.063 0.603 0.213) 1.241 4.507 ( -3.292 -1.050 -0.042) 3.455 4.507 ( -3.292 1.050 -0.042) 3.455 4.607 ( 0.789 -0.979 -1.031) 1.626 4.607 ( 0.789 0.979 -1.031) 1.626 4.628 ( -1.933 -1.898 -3.394) 4.343 4.628 ( -1.933 1.898 -3.394) 4.343 4.783 ( -2.014 -3.590 1.103) 4.261 4.783 ( -2.014 3.590 1.103) 4.261 4.968 ( 1.156 -4.337 -3.053) 5.428 4.968 ( 1.156 4.337 -3.053) 5.428 5.056 ( 0.201 -1.387 2.099) 2.524 5.056 ( 0.201 1.387 2.099) 2.524 5.203 ( -0.665 -1.753 -0.830) 2.050 5.203 ( -0.665 1.753 -0.830) 2.050 5.309 ( -1.843 -1.778 0.106) 2.563 5.309 ( -1.843 1.778 0.106) 2.563 5.567 ( -2.559 -2.987 -2.406) 4.611 5.567 ( -2.559 2.987 -2.406) 4.611 5.794 ( -4.580 -1.429 0.850) 4.872 5.794 ( -4.580 1.429 0.850) 4.872 5.900 ( -6.092 -0.491 -1.084) 6.207 5.900 ( -6.092 0.491 -1.084) 6.207 6.106 ( -1.506 -1.898 -0.365) 2.450 6.106 ( -1.506 1.898 -0.365) 2.450 6.530 ( -1.814 -3.359 4.880) 6.196 6.530 ( -1.814 3.359 4.880) 6.196 6.927 ( -2.260 -4.887 3.578) 6.465 6.927 ( -2.260 4.887 3.578) 6.465 7.072 ( -1.286 -2.045 2.205) 3.271 7.072 ( -1.286 2.045 2.205) 3.271 7.217 ( -3.901 -1.849 -2.108) 4.804 7.217 ( -3.901 1.849 -2.108) 4.804 7.387 ( -1.205 -1.087 1.524) 2.226 7.387 ( -1.205 1.087 1.524) 2.226 7.508 ( -5.534 -1.618 3.245) 6.616 7.508 ( -5.534 1.618 3.245) 6.616 7.742 ( -4.186 -2.999 -2.011) 5.528 7.742 ( -4.186 2.999 -2.011) 5.528 7.907 ( -2.605 -3.878 0.348) 4.684 7.907 ( -2.605 3.878 0.348) 4.684 8.030 ( -6.465 -5.983 -3.103) 9.340 8.030 ( -6.465 5.983 -3.103) 9.340 8.296 ( -4.289 -2.612 -4.526) 6.760 8.296 ( -4.289 2.612 -4.526) 6.760 8.411 ( -4.786 -1.878 1.098) 5.257 8.411 ( -4.786 1.878 1.098) 5.257 8.650 ( 2.571 -1.578 2.208) 3.738 8.650 ( 2.571 1.578 2.208) 3.738 8.784 ( 2.239 -3.582 1.743) 4.570 8.784 ( 2.239 3.582 1.743) 4.570 8.939 ( 0.103 -4.121 -1.959) 4.564 8.939 ( 0.103 4.121 -1.959) 4.564 9.029 ( 4.005 -2.675 2.117) 5.261 9.029 ( 4.005 2.675 2.117) 5.261 9.360 ( -0.421 -0.670 -2.224) 2.361 9.360 ( -0.421 0.670 -2.224) 2.361 9.383 ( 2.627 -1.814 1.708) 3.620 9.383 ( 2.627 1.814 1.708) 3.620 9.574 ( 1.200 -0.974 1.570) 2.202 9.574 ( 1.200 0.974 1.570) 2.202 9.645 ( 0.573 -1.595 -2.053) 2.662 9.645 ( 0.573 1.595 -2.053) 2.662 9.687 ( 0.380 -1.381 1.603) 2.149 9.687 ( 0.380 1.381 1.603) 2.149 9.977 ( -0.204 -4.109 -4.479) 6.082 9.977 ( -0.204 4.109 -4.479) 6.082 10.157 ( 6.092 -7.519 -1.028) 9.732 10.157 ( 6.092 7.519 -1.028) 9.732 10.528 ( 3.563 -12.737 -2.833) 13.526 10.528 ( 3.563 12.737 -2.833) 13.526 10.763 ( 0.819 -1.850 4.241) 4.699 10.763 ( 0.819 1.850 4.241) 4.699 10.981 ( -2.972 -12.306 1.604) 12.761 10.981 ( -2.972 12.306 1.604) 12.761 11.603 ( 5.314 -6.949 6.869) 11.123 11.603 ( 5.314 6.949 6.869) 11.123 12.310 ( 11.251 -5.032 -8.869) 15.185 12.310 ( 11.251 5.032 -8.869) 15.185 13.040 ( 0.269 -0.335 1.405) 1.470 13.040 ( 0.269 0.335 1.405) 1.470 13.101 ( 0.774 -0.122 0.835) 1.145 13.101 ( 0.774 0.122 0.835) 1.145 ======================= Grid point 122 (68/84) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -0.016 -13.015 -1.018) 13.055 1.051 ( -0.016 13.015 -1.018) 13.055 1.380 ( -6.810 -1.681 8.029) 10.661 1.380 ( -6.810 1.681 8.029) 10.661 1.626 ( 7.682 -6.275 -2.322) 10.187 1.626 ( 7.682 6.275 -2.322) 10.187 1.904 ( 5.604 -2.900 -9.243) 11.192 1.904 ( 5.604 2.900 -9.243) 11.192 2.049 ( -8.341 -8.038 -3.518) 12.106 2.049 ( -8.341 8.038 -3.518) 12.106 2.232 ( 1.576 -2.802 -2.127) 3.855 2.232 ( 1.576 2.802 -2.127) 3.855 2.360 ( 4.892 -5.603 -2.852) 7.966 2.360 ( 4.892 5.603 -2.852) 7.966 2.517 ( -0.874 -7.855 -3.463) 8.629 2.517 ( -0.874 7.855 -3.463) 8.629 2.683 ( -4.907 -2.640 3.329) 6.490 2.683 ( -4.907 2.640 3.329) 6.490 2.823 ( -0.128 -6.554 5.836) 8.777 2.823 ( -0.128 6.554 5.836) 8.777 3.014 ( 1.896 -9.522 2.685) 10.074 3.014 ( 1.896 9.522 2.685) 10.074 3.136 ( 1.600 -3.131 -0.073) 3.517 3.136 ( 1.600 3.131 -0.073) 3.517 3.272 ( -0.734 -1.431 4.759) 5.024 3.272 ( -0.734 1.431 4.759) 5.024 3.393 ( -1.265 -2.482 -0.753) 2.886 3.393 ( -1.265 2.482 -0.753) 2.886 3.638 ( 4.330 -4.870 -0.407) 6.530 3.638 ( 4.330 4.870 -0.407) 6.530 3.730 ( -4.096 -5.978 -3.823) 8.194 3.730 ( -4.096 5.978 -3.823) 8.194 3.934 ( 7.602 -4.223 2.622) 9.083 3.934 ( 7.602 4.223 2.622) 9.083 4.079 ( -3.405 -4.323 -1.322) 5.659 4.079 ( -3.405 4.323 -1.322) 5.659 4.303 ( 0.887 -3.044 -0.968) 3.315 4.303 ( 0.887 3.044 -0.968) 3.315 4.448 ( -2.306 -2.108 -0.281) 3.137 4.448 ( -2.306 2.108 -0.281) 3.137 4.548 ( -4.069 -1.315 -3.171) 5.324 4.548 ( -4.069 1.315 -3.171) 5.324 4.627 ( -0.069 -1.319 -1.358) 1.894 4.627 ( -0.069 1.319 -1.358) 1.894 4.748 ( -1.044 -3.771 1.947) 4.371 4.748 ( -1.044 3.771 1.947) 4.371 4.969 ( -2.383 -3.881 0.498) 4.581 4.969 ( -2.383 3.881 0.498) 4.581 5.060 ( 0.515 -1.596 -0.722) 1.826 5.060 ( 0.515 1.596 -0.722) 1.826 5.190 ( -0.674 -0.200 -0.565) 0.902 5.190 ( -0.674 0.200 -0.565) 0.902 5.274 ( -1.479 -1.294 0.405) 2.006 5.274 ( -1.479 1.294 0.405) 2.006 5.512 ( -2.864 -3.289 -2.947) 5.263 5.512 ( -2.864 3.289 -2.947) 5.263 5.682 ( -6.357 -2.079 -0.315) 6.696 5.682 ( -6.357 2.079 -0.315) 6.696 5.774 ( -6.651 -0.311 -1.360) 6.796 5.774 ( -6.651 0.311 -1.360) 6.796 6.092 ( 0.167 -2.414 0.796) 2.547 6.092 ( 0.167 2.414 0.796) 2.547 6.504 ( -0.690 -3.452 4.955) 6.078 6.504 ( -0.690 3.452 4.955) 6.078 6.872 ( -3.898 -4.257 1.994) 6.107 6.872 ( -3.898 4.257 1.994) 6.107 7.061 ( 0.325 -1.430 2.857) 3.211 7.061 ( 0.325 1.430 2.857) 3.211 7.139 ( -3.506 -1.815 -3.056) 4.993 7.139 ( -3.506 1.815 -3.056) 4.993 7.352 ( -2.825 -1.406 1.735) 3.601 7.352 ( -2.825 1.406 1.735) 3.601 7.404 ( -5.318 -3.123 1.412) 6.327 7.404 ( -5.318 3.123 1.412) 6.327 7.635 ( -6.698 -3.836 -3.465) 8.460 7.635 ( -6.698 3.836 -3.465) 8.460 7.821 ( -6.391 -1.508 1.659) 6.773 7.821 ( -6.391 1.508 1.659) 6.773 7.888 ( -5.960 -1.839 -1.875) 6.513 7.888 ( -5.960 1.839 -1.875) 6.513 8.201 ( -5.178 -2.156 -2.110) 5.993 8.201 ( -5.178 2.156 -2.110) 5.993 8.369 ( 0.256 -2.533 -2.443) 3.528 8.369 ( 0.256 2.533 -2.443) 3.528 8.706 ( 2.523 -3.162 3.187) 5.150 8.706 ( 2.523 3.162 3.187) 5.150 8.838 ( 2.472 -3.224 3.913) 5.641 8.838 ( 2.472 3.224 3.913) 5.641 8.941 ( 1.067 -2.619 -2.026) 3.479 8.941 ( 1.067 2.619 -2.026) 3.479 9.071 ( 0.053 -1.914 1.791) 2.622 9.071 ( 0.053 1.914 1.791) 2.622 9.322 ( -2.148 -2.353 -2.459) 4.024 9.322 ( -2.148 2.353 -2.459) 4.024 9.467 ( 3.593 -3.861 1.253) 5.421 9.467 ( 3.593 3.861 1.253) 5.421 9.577 ( 0.730 -3.270 0.734) 3.430 9.577 ( 0.730 3.270 0.734) 3.430 9.673 ( 0.532 -2.012 -2.568) 3.305 9.673 ( 0.532 2.012 -2.568) 3.305 9.735 ( 5.215 -3.896 7.281) 9.767 9.735 ( 5.215 3.896 7.281) 9.767 9.970 ( 0.055 -3.258 -4.067) 5.211 9.970 ( 0.055 3.258 -4.067) 5.211 10.283 ( 6.059 -5.911 -4.449) 9.562 10.283 ( 6.059 5.911 -4.449) 9.562 10.532 ( -2.818 -8.116 -3.754) 9.375 10.532 ( -2.818 8.116 -3.754) 9.375 10.791 ( 1.178 -0.613 -0.002) 1.328 10.791 ( 1.178 0.613 -0.002) 1.328 10.915 ( -3.242 -11.343 4.824) 12.746 10.915 ( -3.242 11.343 4.824) 12.746 11.744 ( 8.376 -11.513 6.001) 15.450 11.744 ( 8.376 11.513 6.001) 15.450 12.551 ( 12.922 -3.843 -6.823) 15.110 12.551 ( 12.922 3.843 -6.823) 15.110 13.056 ( 1.518 -0.387 2.476) 2.930 13.056 ( 1.518 0.387 2.476) 2.930 13.124 ( 1.773 -0.679 0.396) 1.940 13.124 ( 1.773 0.679 0.396) 1.940 ======================= Grid point 124 (69/84) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -4.104 -14.167 3.246) 15.102 1.010 ( -4.104 14.167 3.246) 15.102 1.325 ( 1.392 -12.810 14.631) 19.496 1.325 ( 1.392 12.810 14.631) 19.496 1.748 ( 6.061 -6.767 -5.271) 10.503 1.748 ( 6.061 6.767 -5.271) 10.503 1.863 ( -7.956 -12.731 -5.249) 15.903 1.863 ( -7.956 12.731 -5.249) 15.903 2.062 ( 6.780 -6.665 -14.414) 17.267 2.062 ( 6.780 6.665 -14.414) 17.267 2.270 ( 1.192 -4.828 2.515) 5.572 2.270 ( 1.192 4.828 2.515) 5.572 2.413 ( -0.925 -8.747 -0.280) 8.801 2.413 ( -0.925 8.747 -0.280) 8.801 2.519 ( -1.618 -5.030 1.475) 5.486 2.519 ( -1.618 5.030 1.475) 5.486 2.612 ( 2.025 -5.754 1.806) 6.361 2.612 ( 2.025 5.754 1.806) 6.361 2.786 ( -1.138 -4.736 6.448) 8.081 2.786 ( -1.138 4.736 6.448) 8.081 3.067 ( 0.987 -6.215 0.644) 6.326 3.067 ( 0.987 6.215 0.644) 6.326 3.130 ( -1.414 -3.957 -1.090) 4.342 3.130 ( -1.414 3.957 -1.090) 4.342 3.251 ( 0.386 -1.056 0.371) 1.184 3.251 ( 0.386 1.056 0.371) 1.184 3.389 ( -1.735 -2.323 -3.177) 4.301 3.389 ( -1.735 2.323 -3.177) 4.301 3.581 ( -7.272 -4.823 -5.081) 10.097 3.581 ( -7.272 4.823 -5.081) 10.097 3.720 ( 3.555 -2.707 1.345) 4.666 3.720 ( 3.555 2.707 1.345) 4.666 3.983 ( -2.857 -5.457 -0.748) 6.205 3.983 ( -2.857 5.457 -0.748) 6.205 4.151 ( 7.531 -1.601 2.317) 8.040 4.151 ( 7.531 1.601 2.317) 8.040 4.277 ( -2.534 -2.886 -0.898) 3.944 4.277 ( -2.534 2.886 -0.898) 3.944 4.404 ( -2.690 -1.090 -0.907) 3.041 4.404 ( -2.690 1.090 -0.907) 3.041 4.528 ( 2.751 -0.847 -0.483) 2.919 4.528 ( 2.751 0.847 -0.483) 2.919 4.629 ( 0.327 -0.918 -0.346) 1.034 4.629 ( 0.327 0.918 -0.346) 1.034 4.749 ( 0.891 -3.096 1.199) 3.438 4.749 ( 0.891 3.096 1.199) 3.438 4.879 ( -5.775 -3.917 2.080) 7.282 4.879 ( -5.775 3.917 2.080) 7.282 5.070 ( 0.510 -2.086 -3.070) 3.747 5.070 ( 0.510 2.086 -3.070) 3.747 5.173 ( -1.062 -0.865 0.416) 1.432 5.173 ( -1.062 0.865 0.416) 1.432 5.257 ( -0.546 -1.009 1.596) 1.965 5.257 ( -0.546 1.009 1.596) 1.965 5.469 ( -1.330 -4.573 -3.799) 6.092 5.469 ( -1.330 4.573 -3.799) 6.092 5.573 ( -4.546 -2.621 -0.324) 5.257 5.573 ( -4.546 2.621 -0.324) 5.257 5.662 ( -4.361 -0.918 -2.999) 5.372 5.662 ( -4.361 0.918 -2.999) 5.372 6.111 ( 1.511 -3.427 1.445) 4.014 6.111 ( 1.511 3.427 1.445) 4.014 6.517 ( 1.937 -2.402 3.290) 4.510 6.517 ( 1.937 2.402 3.290) 4.510 6.790 ( -3.901 -3.685 1.651) 5.615 6.790 ( -3.901 3.685 1.651) 5.615 7.046 ( -2.861 -1.908 -2.630) 4.330 7.046 ( -2.861 1.908 -2.630) 4.330 7.122 ( 1.914 -1.710 -0.287) 2.583 7.122 ( 1.914 1.710 -0.287) 2.583 7.251 ( -7.032 -2.691 1.088) 7.608 7.251 ( -7.032 2.691 1.088) 7.608 7.333 ( -1.796 -2.318 0.842) 3.051 7.333 ( -1.796 2.318 0.842) 3.051 7.509 ( -5.186 -4.154 -3.178) 7.366 7.509 ( -5.186 4.154 -3.178) 7.366 7.704 ( -5.250 -1.215 4.123) 6.786 7.704 ( -5.250 1.215 4.123) 6.786 7.812 ( -2.244 -3.287 -1.582) 4.283 7.812 ( -2.244 3.287 -1.582) 4.283 8.123 ( -2.631 -1.469 1.330) 3.294 8.123 ( -2.631 1.469 1.330) 3.294 8.386 ( 1.091 -3.673 -4.633) 6.012 8.386 ( 1.091 3.673 -4.633) 6.012 8.746 ( 1.639 -3.805 3.244) 5.262 8.746 ( 1.639 3.805 3.244) 5.262 8.858 ( -0.202 -2.899 3.612) 4.636 8.858 ( -0.202 2.899 3.612) 4.636 8.982 ( 2.323 -2.923 -0.468) 3.763 8.982 ( 2.323 2.923 -0.468) 3.763 9.050 ( -1.538 -1.147 0.253) 1.935 9.050 ( -1.538 1.147 0.253) 1.935 9.298 ( -0.097 -1.701 0.297) 1.730 9.298 ( -0.097 1.701 0.297) 1.730 9.482 ( -1.245 -0.881 -0.097) 1.528 9.482 ( -1.245 0.881 -0.097) 1.528 9.607 ( 1.184 -1.727 1.264) 2.446 9.607 ( 1.184 1.727 1.264) 2.446 9.693 ( 1.841 -0.352 -3.327) 3.819 9.693 ( 1.841 0.352 -3.327) 3.819 9.840 ( 3.983 -2.493 10.072) 11.114 9.840 ( 3.983 2.493 10.072) 11.114 9.990 ( 2.983 -0.920 -4.317) 5.327 9.990 ( 2.983 0.920 -4.317) 5.327 10.370 ( 2.278 -5.443 -5.031) 7.754 10.370 ( 2.278 5.443 -5.031) 7.754 10.445 ( -4.622 -3.366 -4.525) 7.292 10.445 ( -4.622 3.366 -4.525) 7.292 10.788 ( -1.344 -0.981 1.698) 2.377 10.788 ( -1.344 0.981 1.698) 2.377 10.881 ( -0.246 -6.477 -0.469) 6.499 10.881 ( -0.246 6.477 -0.469) 6.499 11.895 ( 6.365 -10.764 7.032) 14.346 11.895 ( 6.365 10.764 7.032) 14.346 12.744 ( 6.227 -3.923 -5.529) 9.205 12.744 ( 6.227 3.923 -5.529) 9.205 13.086 ( 0.881 -1.220 3.348) 3.671 13.086 ( 0.881 1.220 3.348) 3.671 13.192 ( 5.337 -2.714 -0.989) 6.068 13.192 ( 5.337 2.714 -0.989) 6.068 ======================= Grid point 135 (70/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.099 0.000 -6.010) 6.011 1.076 ( -0.099 0.000 6.010) 6.011 1.382 ( -5.159 0.000 -0.570) 5.191 1.382 ( 5.159 0.000 0.570) 5.191 1.492 ( 13.797 0.000 -13.459) 19.274 1.492 ( -13.797 0.000 13.459) 19.274 1.962 ( -6.362 0.000 1.779) 6.606 1.962 ( 6.362 0.000 -1.779) 6.606 2.068 ( 1.354 0.000 -0.739) 1.543 2.068 ( -1.354 0.000 0.739) 1.543 2.247 ( -2.540 0.000 -8.638) 9.004 2.247 ( 2.540 0.000 8.638) 9.004 2.334 ( -2.551 0.000 -7.636) 8.051 2.334 ( 2.551 0.000 7.636) 8.051 2.569 ( 2.109 0.000 -3.833) 4.375 2.569 ( -2.109 0.000 3.833) 4.375 2.614 ( -1.834 0.000 -14.137) 14.255 2.614 ( 1.834 0.000 14.137) 14.255 2.855 ( 3.372 0.000 -4.528) 5.645 2.855 ( -3.372 0.000 4.528) 5.645 2.913 ( -1.686 0.000 -0.846) 1.887 2.913 ( 1.686 0.000 0.846) 1.887 3.139 ( -2.947 0.000 -3.586) 4.641 3.139 ( 2.947 0.000 3.586) 4.641 3.276 ( 0.759 0.000 -6.193) 6.240 3.276 ( -0.759 0.000 6.193) 6.240 3.372 ( 0.363 0.000 -0.695) 0.784 3.372 ( -0.363 0.000 0.695) 0.784 3.631 ( -3.683 0.000 0.314) 3.696 3.631 ( 3.683 0.000 -0.314) 3.696 3.775 ( -3.276 0.000 -2.075) 3.878 3.775 ( 3.276 0.000 2.075) 3.878 4.026 ( 0.025 0.000 -0.182) 0.184 4.026 ( -0.025 0.000 0.182) 0.184 4.123 ( -0.766 0.000 -0.390) 0.860 4.123 ( 0.766 0.000 0.390) 0.860 4.312 ( 2.525 0.000 -1.331) 2.855 4.312 ( -2.525 0.000 1.331) 2.855 4.392 ( 3.126 0.000 -4.019) 5.092 4.392 ( -3.126 0.000 4.019) 5.092 4.537 ( -0.559 0.000 -3.376) 3.421 4.537 ( 0.559 0.000 3.376) 3.421 4.592 ( 0.025 0.000 -3.187) 3.187 4.592 ( -0.025 0.000 3.187) 3.187 4.731 ( -1.015 0.000 -1.446) 1.766 4.731 ( 1.015 0.000 1.446) 1.766 4.861 ( -0.379 0.000 -3.862) 3.880 4.861 ( 0.379 0.000 3.862) 3.880 5.046 ( 1.537 0.000 -1.907) 2.449 5.046 ( -1.537 0.000 1.907) 2.449 5.086 ( 0.435 0.000 -5.925) 5.941 5.086 ( -0.435 0.000 5.925) 5.941 5.251 ( -1.148 0.000 -0.596) 1.294 5.251 ( 1.148 0.000 0.596) 1.294 5.487 ( -1.756 0.000 -0.340) 1.788 5.487 ( 1.756 0.000 0.340) 1.788 5.510 ( -0.579 0.000 -4.095) 4.136 5.510 ( 0.579 0.000 4.095) 4.136 5.588 ( 0.589 0.000 -1.223) 1.358 5.588 ( -0.589 0.000 1.223) 1.358 6.113 ( 0.437 0.000 -6.978) 6.992 6.113 ( -0.437 0.000 6.978) 6.992 6.595 ( -4.029 0.000 -2.195) 4.588 6.595 ( 4.029 0.000 2.195) 4.588 6.726 ( -0.215 0.000 -3.970) 3.976 6.726 ( 0.215 0.000 3.970) 3.976 6.971 ( -1.720 0.000 0.031) 1.720 6.971 ( 1.720 0.000 -0.031) 1.720 7.139 ( -1.285 0.000 -0.468) 1.368 7.139 ( 1.285 0.000 0.468) 1.368 7.214 ( -1.798 0.000 -0.180) 1.807 7.214 ( 1.798 0.000 0.180) 1.807 7.321 ( -2.439 0.000 -3.569) 4.323 7.321 ( 2.439 0.000 3.569) 4.323 7.444 ( -2.568 0.000 -3.285) 4.170 7.444 ( 2.568 0.000 3.285) 4.170 7.627 ( -3.075 0.000 0.637) 3.140 7.627 ( 3.075 0.000 -0.637) 3.140 7.874 ( 2.240 0.000 -6.394) 6.775 7.874 ( -2.240 0.000 6.394) 6.775 8.149 ( 1.080 0.000 -3.182) 3.360 8.149 ( -1.080 0.000 3.182) 3.360 8.302 ( -0.035 0.000 -7.012) 7.012 8.302 ( 0.035 0.000 7.012) 7.012 8.738 ( -1.743 0.000 -4.577) 4.898 8.738 ( 1.743 0.000 4.577) 4.898 8.874 ( 0.455 0.000 -0.535) 0.703 8.874 ( -0.455 0.000 0.535) 0.703 8.986 ( 0.245 0.000 -1.787) 1.804 8.986 ( -0.245 0.000 1.787) 1.804 9.167 ( 0.836 0.000 -2.253) 2.403 9.167 ( -0.836 0.000 2.253) 2.403 9.291 ( -2.042 0.000 -0.143) 2.047 9.291 ( 2.042 0.000 0.143) 2.047 9.413 ( -0.220 0.000 -0.069) 0.230 9.413 ( 0.220 0.000 0.069) 0.230 9.742 ( -0.097 0.000 -2.303) 2.305 9.742 ( 0.097 0.000 2.303) 2.305 9.778 ( -5.447 0.000 -5.385) 7.660 9.778 ( 5.447 0.000 5.385) 7.660 9.917 ( 1.748 0.000 -1.291) 2.173 9.917 ( -1.748 0.000 1.291) 2.173 9.961 ( -0.405 0.000 -7.136) 7.147 9.961 ( 0.405 0.000 7.136) 7.147 10.323 ( -4.289 0.000 -1.338) 4.492 10.323 ( 4.289 0.000 1.338) 4.492 10.399 ( -4.448 0.000 -4.760) 6.515 10.399 ( 4.448 0.000 4.760) 6.515 10.717 ( -10.158 0.000 1.814) 10.319 10.717 ( 10.158 0.000 -1.814) 10.319 10.816 ( -0.628 0.000 -3.131) 3.193 10.816 ( 0.628 0.000 3.131) 3.193 12.082 ( -4.045 0.000 -13.377) 13.975 12.082 ( 4.045 0.000 13.377) 13.975 12.764 ( -0.036 0.000 -8.270) 8.270 12.764 ( 0.036 0.000 8.270) 8.270 13.091 ( 0.137 0.000 -1.817) 1.822 13.091 ( -0.137 0.000 1.817) 1.822 13.212 ( 1.055 0.000 -5.493) 5.593 13.212 ( -1.055 0.000 5.493) 5.593 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -4.221 0.000 -11.389) 12.146 1.040 ( -6.075 0.000 8.495) 10.444 1.269 ( -4.335 0.000 -1.743) 4.672 1.378 ( 5.125 0.000 5.787) 7.730 1.530 ( 9.405 0.000 -2.115) 9.639 1.663 ( 4.127 0.000 -4.734) 6.280 1.812 ( -8.356 0.000 -3.268) 8.972 2.031 ( -8.334 0.000 9.622) 12.730 2.083 ( 0.566 0.000 4.890) 4.922 2.099 ( 5.999 0.000 -1.222) 6.123 2.239 ( -3.699 0.000 -11.979) 12.538 2.252 ( -8.288 0.000 1.109) 8.362 2.284 ( 7.054 0.000 -10.134) 12.348 2.356 ( 5.805 0.000 11.109) 12.534 2.471 ( -4.880 0.000 2.486) 5.477 2.527 ( -2.961 0.000 -4.616) 5.484 2.613 ( -2.496 0.000 -5.616) 6.146 2.725 ( -3.927 0.000 -2.789) 4.816 2.729 ( 8.899 0.000 17.329) 19.480 2.855 ( -0.758 0.000 -1.801) 1.954 2.979 ( 3.498 0.000 -5.349) 6.391 2.982 ( -0.270 0.000 1.595) 1.618 3.128 ( 2.822 0.000 5.518) 6.198 3.133 ( -0.891 0.000 5.226) 5.301 3.242 ( -2.647 0.000 -1.638) 3.113 3.344 ( 6.958 0.000 4.331) 8.196 3.431 ( 1.959 0.000 -4.765) 5.152 3.444 ( 5.417 0.000 -1.940) 5.754 3.523 ( -5.521 0.000 -0.480) 5.542 3.632 ( -3.545 0.000 -1.875) 4.010 3.748 ( 1.016 0.000 -1.584) 1.882 3.842 ( 3.264 0.000 2.672) 4.218 3.953 ( -7.480 0.000 1.546) 7.638 4.014 ( -0.067 0.000 -0.829) 0.832 4.166 ( 1.027 0.000 -1.669) 1.960 4.175 ( 4.236 0.000 -0.264) 4.244 4.279 ( 0.581 0.000 6.225) 6.253 4.357 ( 1.882 0.000 -0.594) 1.974 4.366 ( 0.602 0.000 3.736) 3.784 4.456 ( 2.725 0.000 -3.919) 4.774 4.528 ( -1.798 0.000 0.111) 1.801 4.533 ( 1.407 0.000 -3.984) 4.225 4.599 ( -5.231 0.000 -0.218) 5.235 4.619 ( 0.266 0.000 0.724) 0.771 4.655 ( 1.441 0.000 -7.051) 7.196 4.660 ( -2.867 0.000 2.366) 3.717 4.920 ( 3.480 0.000 -4.606) 5.773 4.958 ( 6.683 0.000 3.137) 7.383 4.991 ( -2.783 0.000 1.271) 3.059 5.046 ( -0.968 0.000 3.521) 3.651 5.085 ( 0.143 0.000 1.935) 1.940 5.096 ( 0.998 0.000 -4.083) 4.203 5.254 ( 1.263 0.000 -0.819) 1.505 5.279 ( 1.274 0.000 0.928) 1.576 5.486 ( 1.797 0.000 1.584) 2.395 5.515 ( 0.740 0.000 6.087) 6.132 5.517 ( 1.536 0.000 -5.418) 5.631 5.564 ( 5.490 0.000 -2.330) 5.964 5.624 ( 3.770 0.000 1.290) 3.985 5.662 ( 6.766 0.000 -1.493) 6.928 6.106 ( -0.493 0.000 6.863) 6.880 6.122 ( 0.638 0.000 -6.661) 6.691 6.541 ( -1.177 0.000 -4.189) 4.351 6.675 ( 3.686 0.000 1.230) 3.886 6.749 ( 2.599 0.000 -5.905) 6.452 6.769 ( 4.241 0.000 1.891) 4.643 6.989 ( 3.535 0.000 3.517) 4.987 7.023 ( 2.547 0.000 5.549) 6.105 7.137 ( 1.670 0.000 -1.672) 2.363 7.174 ( -3.152 0.000 -2.108) 3.792 7.186 ( 3.820 0.000 -1.802) 4.223 7.284 ( 5.092 0.000 2.482) 5.665 7.341 ( 4.094 0.000 -3.908) 5.660 7.390 ( 3.141 0.000 0.445) 3.172 7.436 ( 2.706 0.000 -2.209) 3.493 7.511 ( 4.735 0.000 3.761) 6.047 7.602 ( 0.646 0.000 2.900) 2.971 7.713 ( 5.837 0.000 0.393) 5.850 7.853 ( -0.044 0.000 6.742) 6.742 7.929 ( 3.380 0.000 -4.681) 5.773 8.148 ( 0.608 0.000 1.891) 1.987 8.198 ( 4.278 0.000 -4.679) 6.340 8.300 ( 0.088 0.000 -5.066) 5.067 8.304 ( 0.072 0.000 7.931) 7.932 8.701 ( -1.774 0.000 -3.705) 4.108 8.757 ( -0.216 0.000 3.829) 3.835 8.858 ( -1.130 0.000 -0.484) 1.230 8.864 ( -1.726 0.000 -1.073) 2.032 8.977 ( -1.355 0.000 0.302) 1.389 8.985 ( 0.313 0.000 2.485) 2.505 9.139 ( -1.617 0.000 2.676) 3.126 9.147 ( -2.681 0.000 -1.849) 3.257 9.267 ( -0.978 0.000 -4.380) 4.488 9.329 ( 1.590 0.000 -1.855) 2.444 9.409 ( -0.606 0.000 2.116) 2.201 9.411 ( -0.034 0.000 2.122) 2.122 9.652 ( -3.297 0.000 -0.088) 3.298 9.700 ( -2.393 0.000 1.106) 2.636 9.780 ( 0.565 0.000 -1.362) 1.474 9.840 ( -4.528 0.000 -5.472) 7.102 9.909 ( 4.210 0.000 6.459) 7.710 9.912 ( -2.370 0.000 -1.637) 2.880 9.935 ( -2.716 0.000 -4.594) 5.337 9.966 ( -0.151 0.000 8.714) 8.715 10.227 ( -5.520 0.000 -1.408) 5.696 10.282 ( -6.437 0.000 -5.314) 8.347 10.431 ( 5.979 0.000 -3.471) 6.914 10.475 ( 2.967 0.000 1.428) 3.293 10.558 ( -5.999 0.000 1.164) 6.111 10.808 ( 1.403 0.000 -0.739) 1.586 10.830 ( 1.948 0.000 -1.358) 2.374 10.985 ( 14.511 0.000 -1.116) 14.554 11.934 ( -10.864 0.000 -11.916) 16.125 12.101 ( -1.924 0.000 14.587) 14.714 12.663 ( -10.516 0.000 -8.590) 13.578 12.675 ( -9.553 0.000 9.701) 13.615 13.081 ( -0.958 0.000 1.621) 1.882 13.087 ( -0.411 0.000 -1.620) 1.671 13.152 ( -4.270 0.000 3.480) 5.508 13.192 ( -2.191 0.000 -3.425) 4.066 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -5.122 0.000 17.359) 18.099 0.975 ( 0.288 0.000 -17.035) 17.037 1.298 ( 4.003 0.000 -8.434) 9.335 1.525 ( 4.566 0.000 10.936) 11.851 1.609 ( -8.163 0.000 0.396) 8.172 1.662 ( 0.521 0.000 -7.087) 7.106 1.782 ( 9.671 0.000 -7.395) 12.174 1.908 ( 0.908 0.000 9.691) 9.733 1.921 ( -14.147 0.000 -1.991) 14.287 2.093 ( -4.409 0.000 -3.759) 5.794 2.117 ( -5.667 0.000 5.129) 7.643 2.185 ( -3.665 0.000 0.841) 3.760 2.416 ( 0.052 0.000 -4.105) 4.105 2.442 ( 1.825 0.000 1.534) 2.384 2.518 ( 3.427 0.000 -4.216) 5.433 2.520 ( 9.309 0.000 9.056) 12.987 2.578 ( 4.541 0.000 -8.414) 9.561 2.716 ( 0.462 0.000 -1.284) 1.365 2.796 ( -6.150 0.000 -0.241) 6.155 2.865 ( 3.437 0.000 3.988) 5.264 2.971 ( -0.139 0.000 8.264) 8.266 2.979 ( -3.674 0.000 -3.925) 5.377 3.158 ( 2.679 0.000 6.757) 7.269 3.170 ( -4.886 0.000 1.309) 5.059 3.244 ( 7.458 0.000 0.949) 7.518 3.327 ( -6.868 0.000 -0.713) 6.905 3.411 ( -0.134 0.000 0.797) 0.808 3.524 ( 0.806 0.000 -3.080) 3.183 3.537 ( 2.385 0.000 -5.387) 5.891 3.607 ( 1.589 0.000 -0.644) 1.715 3.730 ( -5.034 0.000 2.765) 5.743 3.803 ( -3.569 0.000 1.928) 4.056 3.894 ( 2.254 0.000 1.131) 2.522 4.023 ( 0.845 0.000 -1.729) 1.924 4.147 ( -1.739 0.000 -1.097) 2.056 4.227 ( -2.657 0.000 0.098) 2.659 4.313 ( -3.638 0.000 -1.333) 3.874 4.337 ( 3.278 0.000 6.388) 7.180 4.395 ( 0.492 0.000 5.507) 5.529 4.466 ( -0.769 0.000 -4.950) 5.009 4.495 ( 3.056 0.000 0.668) 3.128 4.524 ( 0.035 0.000 -3.662) 3.662 4.600 ( 4.777 0.000 -3.319) 5.817 4.613 ( 1.580 0.000 -2.394) 2.868 4.685 ( 1.545 0.000 4.741) 4.986 4.733 ( 4.228 0.000 -7.061) 8.230 4.927 ( -0.173 0.000 0.015) 0.174 5.010 ( -1.057 0.000 3.491) 3.647 5.030 ( 4.409 0.000 -3.379) 5.555 5.069 ( -1.667 0.000 3.390) 3.778 5.095 ( 4.944 0.000 3.950) 6.328 5.114 ( 0.688 0.000 -3.566) 3.632 5.281 ( 1.286 0.000 -1.253) 1.796 5.300 ( 1.062 0.000 1.136) 1.556 5.537 ( 1.449 0.000 4.755) 4.971 5.546 ( 3.386 0.000 -3.627) 4.962 5.570 ( 4.605 0.000 0.951) 4.703 5.697 ( 7.852 0.000 -2.619) 8.277 5.722 ( 6.060 0.000 1.816) 6.327 5.817 ( 8.546 0.000 -1.954) 8.766 6.099 ( -0.331 0.000 5.857) 5.867 6.133 ( 0.617 0.000 -6.265) 6.295 6.546 ( 1.397 0.000 -5.646) 5.816 6.719 ( 0.606 0.000 0.379) 0.715 6.816 ( 4.026 0.000 -7.138) 8.195 6.870 ( 5.571 0.000 1.529) 5.777 7.062 ( 1.124 0.000 5.939) 6.044 7.093 ( 6.430 0.000 3.299) 7.227 7.127 ( 0.138 0.000 -3.092) 3.095 7.207 ( 5.113 0.000 -2.338) 5.622 7.280 ( 5.938 0.000 -3.458) 6.872 7.379 ( 3.026 0.000 6.371) 7.053 7.422 ( 2.165 0.000 -2.823) 3.558 7.435 ( 5.308 0.000 -4.360) 6.869 7.517 ( 4.116 0.000 0.380) 4.133 7.645 ( 7.564 0.000 4.529) 8.817 7.652 ( 5.370 0.000 6.361) 8.325 7.844 ( 6.995 0.000 -0.533) 7.015 7.874 ( 1.966 0.000 5.782) 6.107 8.005 ( 5.099 0.000 -1.757) 5.393 8.163 ( 0.731 0.000 2.444) 2.551 8.303 ( 2.572 0.000 -3.319) 4.199 8.320 ( 1.935 0.000 6.570) 6.849 8.324 ( 6.875 0.000 -4.867) 8.424 8.666 ( -2.251 0.000 -2.723) 3.533 8.727 ( -2.773 0.000 0.766) 2.877 8.807 ( -4.177 0.000 -0.612) 4.221 8.828 ( -2.109 0.000 -0.223) 2.121 8.939 ( -2.243 0.000 2.152) 3.109 8.988 ( -0.524 0.000 1.441) 1.533 9.090 ( -2.806 0.000 -4.223) 5.070 9.111 ( -1.446 0.000 3.605) 3.885 9.239 ( -0.701 0.000 -3.726) 3.791 9.354 ( 0.921 0.000 -0.384) 0.998 9.402 ( -0.807 0.000 1.569) 1.765 9.408 ( 0.237 0.000 0.256) 0.349 9.631 ( 0.071 0.000 0.612) 0.616 9.650 ( -4.235 0.000 1.883) 4.634 9.744 ( -3.113 0.000 -6.398) 7.115 9.768 ( -2.324 0.000 -3.107) 3.880 9.832 ( -5.063 0.000 1.097) 5.180 9.838 ( -6.845 0.000 -1.104) 6.933 9.946 ( -2.543 0.000 11.753) 12.025 9.970 ( 1.749 0.000 -1.832) 2.533 10.124 ( -4.638 0.000 -1.409) 4.847 10.136 ( -8.353 0.000 -4.663) 9.566 10.459 ( -3.039 0.000 -0.834) 3.152 10.509 ( 0.636 0.000 0.928) 1.125 10.571 ( 6.369 0.000 -0.501) 6.388 10.852 ( 3.357 0.000 -2.565) 4.225 10.905 ( 6.215 0.000 0.995) 6.294 11.270 ( 14.182 0.000 -4.063) 14.752 11.687 ( -13.344 0.000 -11.661) 17.721 12.034 ( -5.281 0.000 14.497) 15.429 12.376 ( -18.035 0.000 -8.684) 20.016 12.415 ( -16.618 0.000 11.591) 20.261 13.057 ( -1.270 0.000 0.572) 1.393 13.076 ( -0.696 0.000 -1.577) 1.723 13.091 ( -1.849 0.000 1.921) 2.666 13.152 ( -1.691 0.000 -1.475) 2.244 ======================= Grid point 139 (73/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -1.268 0.000 5.268) 5.418 1.058 ( 6.260 0.000 -7.237) 9.569 1.249 ( -16.652 0.000 6.710) 17.953 1.384 ( 1.376 0.000 -0.302) 1.409 1.537 ( -6.572 0.000 -6.758) 9.427 1.768 ( 11.783 0.000 8.168) 14.337 1.856 ( 8.864 0.000 -10.768) 13.947 1.949 ( -1.532 0.000 1.737) 2.316 1.997 ( -5.511 0.000 5.233) 7.600 2.045 ( 13.841 0.000 -7.257) 15.628 2.062 ( -7.036 0.000 1.033) 7.112 2.078 ( 5.205 0.000 4.782) 7.068 2.341 ( -4.856 0.000 0.367) 4.870 2.463 ( -1.656 0.000 -2.078) 2.658 2.599 ( -3.567 0.000 1.065) 3.722 2.610 ( -4.972 0.000 -0.300) 4.981 2.642 ( 4.971 0.000 -1.499) 5.192 2.679 ( -4.999 0.000 4.199) 6.529 2.695 ( -5.429 0.000 -0.847) 5.495 2.883 ( -2.457 0.000 1.178) 2.725 2.938 ( 3.263 0.000 -6.235) 7.037 2.943 ( 3.512 0.000 3.888) 5.239 3.084 ( -3.454 0.000 1.271) 3.680 3.143 ( -8.152 0.000 -0.807) 8.192 3.203 ( -1.703 0.000 1.056) 2.004 3.360 ( -3.216 0.000 0.713) 3.294 3.406 ( 5.907 0.000 -3.725) 6.983 3.549 ( -0.941 0.000 -3.927) 4.039 3.550 ( -0.287 0.000 -0.849) 0.897 3.613 ( 7.438 0.000 7.246) 10.384 3.735 ( -1.023 0.000 10.625) 10.675 3.750 ( -1.175 0.000 -2.738) 2.980 3.898 ( -3.396 0.000 -5.095) 6.123 4.053 ( 2.396 0.000 -0.411) 2.431 4.070 ( -6.784 0.000 2.058) 7.089 4.111 ( -2.041 0.000 2.396) 3.148 4.364 ( 2.776 0.000 -3.393) 4.384 4.365 ( 4.535 0.000 -2.523) 5.189 4.438 ( 2.798 0.000 6.730) 7.288 4.529 ( 5.194 0.000 -1.681) 5.459 4.531 ( 0.675 0.000 -2.959) 3.035 4.558 ( 2.387 0.000 1.397) 2.766 4.632 ( -1.015 0.000 -2.423) 2.627 4.692 ( 4.242 0.000 -3.691) 5.623 4.705 ( 1.361 0.000 2.221) 2.605 4.776 ( -0.176 0.000 -2.798) 2.804 4.939 ( 1.113 0.000 -1.448) 1.827 4.991 ( -0.749 0.000 3.648) 3.724 5.031 ( -1.810 0.000 5.502) 5.792 5.085 ( -0.163 0.000 -2.023) 2.030 5.137 ( 2.946 0.000 -5.603) 6.330 5.168 ( 2.351 0.000 3.936) 4.584 5.302 ( 1.104 0.000 -1.093) 1.554 5.325 ( 1.398 0.000 1.017) 1.729 5.569 ( 1.678 0.000 4.156) 4.482 5.593 ( 1.763 0.000 -5.838) 6.098 5.690 ( 7.108 0.000 4.886) 8.625 5.836 ( 5.921 0.000 -3.600) 6.929 5.841 ( 5.830 0.000 2.168) 6.220 5.952 ( 4.486 0.000 -2.247) 5.018 6.102 ( 0.874 0.000 4.342) 4.429 6.144 ( 0.629 0.000 -5.465) 5.501 6.571 ( 1.089 0.000 -4.360) 4.494 6.702 ( -2.160 0.000 -0.157) 2.166 6.884 ( 3.328 0.000 -7.991) 8.656 6.962 ( 3.535 0.000 2.532) 4.348 7.100 ( 3.814 0.000 -0.739) 3.885 7.178 ( 3.765 0.000 2.706) 4.637 7.202 ( 4.182 0.000 3.021) 5.159 7.292 ( 2.624 0.000 -4.761) 5.436 7.382 ( -0.689 0.000 4.236) 4.292 7.400 ( 5.568 0.000 -4.803) 7.354 7.522 ( 3.847 0.000 -1.664) 4.191 7.526 ( 7.451 0.000 3.317) 8.156 7.584 ( 3.655 0.000 -1.520) 3.959 7.722 ( 2.614 0.000 2.996) 3.976 7.831 ( 6.871 0.000 8.243) 10.731 7.930 ( 1.282 0.000 -3.597) 3.819 7.931 ( 5.459 0.000 5.223) 7.555 8.142 ( 8.644 0.000 2.558) 9.014 8.193 ( 3.649 0.000 3.347) 4.951 8.333 ( 1.588 0.000 -3.385) 3.739 8.401 ( 6.658 0.000 5.289) 8.503 8.518 ( 11.706 0.000 -3.657) 12.264 8.600 ( -4.639 0.000 -1.841) 4.991 8.660 ( -3.900 0.000 -1.897) 4.337 8.704 ( -6.444 0.000 -0.916) 6.509 8.764 ( -4.645 0.000 0.087) 4.646 8.917 ( -0.275 0.000 2.236) 2.253 8.942 ( -4.909 0.000 -1.744) 5.209 9.054 ( -0.145 0.000 -4.714) 4.716 9.078 ( -1.982 0.000 5.185) 5.551 9.263 ( 2.811 0.000 -2.733) 3.921 9.348 ( -0.960 0.000 -1.875) 2.107 9.399 ( -1.260 0.000 -1.787) 2.187 9.411 ( 1.330 0.000 3.008) 3.289 9.538 ( -5.449 0.000 0.509) 5.472 9.594 ( -6.076 0.000 -2.603) 6.610 9.666 ( -8.030 0.000 -3.579) 8.792 9.689 ( -2.823 0.000 -1.476) 3.185 9.758 ( 0.669 0.000 -2.173) 2.274 9.763 ( -3.194 0.000 5.106) 6.023 9.878 ( -3.891 0.000 12.583) 13.171 9.932 ( -6.914 0.000 -10.617) 12.670 10.026 ( -0.779 0.000 2.889) 2.993 10.060 ( -2.090 0.000 -0.993) 2.314 10.419 ( -0.850 0.000 -1.283) 1.539 10.506 ( -0.935 0.000 1.712) 1.951 10.689 ( 6.091 0.000 1.971) 6.402 10.924 ( 3.439 0.000 -3.408) 4.842 11.063 ( 9.664 0.000 3.065) 10.139 11.398 ( -6.251 0.000 -11.511) 13.099 11.564 ( 6.828 0.000 -6.731) 9.588 11.880 ( -12.212 0.000 10.932) 16.391 12.017 ( -17.495 0.000 -10.223) 20.263 12.122 ( -11.742 0.000 15.109) 19.136 13.042 ( -0.384 0.000 0.624) 0.732 13.061 ( -0.784 0.000 -1.589) 1.772 13.073 ( -0.168 0.000 1.493) 1.502 13.125 ( -1.214 0.000 -1.003) 1.575 ======================= Grid point 140 (74/84) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.289 0.000 -6.865) 6.871 0.927 ( -9.995 0.000 7.290) 12.371 1.225 ( 3.615 0.000 3.330) 4.915 1.266 ( -4.017 0.000 -0.307) 4.029 1.683 ( 11.207 0.000 -4.311) 12.008 1.823 ( -6.128 0.000 -0.021) 6.128 1.929 ( 1.103 0.000 -0.093) 1.107 2.000 ( 5.912 0.000 -0.248) 5.917 2.041 ( 2.993 0.000 6.273) 6.951 2.049 ( 7.506 0.000 -5.378) 9.234 2.187 ( 1.062 0.000 4.011) 4.149 2.241 ( 2.280 0.000 3.779) 4.414 2.274 ( 5.604 0.000 -5.491) 7.845 2.339 ( -7.602 0.000 -2.070) 7.879 2.447 ( -11.453 0.000 -3.800) 12.067 2.478 ( -8.890 0.000 4.422) 9.929 2.556 ( -0.170 0.000 -2.329) 2.335 2.600 ( -0.388 0.000 2.161) 2.195 2.693 ( -0.105 0.000 2.357) 2.360 2.826 ( -12.241 0.000 -1.991) 12.402 2.927 ( 2.491 0.000 -3.332) 4.160 2.945 ( -1.021 0.000 6.165) 6.249 3.110 ( 3.708 0.000 5.278) 6.451 3.114 ( 3.696 0.000 -8.079) 8.885 3.266 ( 5.491 0.000 -6.312) 8.366 3.326 ( -1.402 0.000 4.541) 4.752 3.469 ( 1.462 0.000 -5.155) 5.358 3.515 ( -3.562 0.000 2.430) 4.312 3.538 ( 1.719 0.000 -0.594) 1.819 3.626 ( -4.809 0.000 5.035) 6.963 3.710 ( -0.102 0.000 1.756) 1.759 3.786 ( -6.349 0.000 -4.575) 7.826 3.872 ( 11.163 0.000 5.565) 12.473 4.033 ( -5.066 0.000 2.578) 5.684 4.034 ( 1.914 0.000 1.879) 2.682 4.086 ( -1.826 0.000 -2.535) 3.124 4.436 ( 2.558 0.000 -3.660) 4.465 4.458 ( 2.182 0.000 -0.736) 2.303 4.469 ( 3.596 0.000 0.250) 3.605 4.533 ( -1.010 0.000 0.319) 1.060 4.586 ( 0.644 0.000 0.714) 0.962 4.596 ( -1.167 0.000 -1.212) 1.682 4.629 ( 4.901 0.000 -1.816) 5.227 4.722 ( -4.283 0.000 2.012) 4.732 4.735 ( 1.264 0.000 1.276) 1.796 4.744 ( 0.534 0.000 -2.630) 2.684 4.961 ( 1.168 0.000 -4.600) 4.746 4.980 ( -0.799 0.000 5.204) 5.265 5.020 ( 0.868 0.000 4.295) 4.382 5.054 ( -2.143 0.000 -2.734) 3.474 5.185 ( 1.556 0.000 -5.336) 5.558 5.194 ( 0.435 0.000 4.574) 4.594 5.326 ( 1.308 0.000 -0.592) 1.436 5.341 ( 0.006 0.000 0.762) 0.762 5.598 ( 1.110 0.000 4.366) 4.505 5.610 ( 0.103 0.000 -5.170) 5.171 5.825 ( 6.261 0.000 5.672) 8.449 5.897 ( -0.115 0.000 -4.873) 4.874 5.931 ( 3.256 0.000 2.432) 4.064 5.973 ( -1.338 0.000 -2.355) 2.709 6.134 ( 1.612 0.000 3.416) 3.778 6.150 ( -0.046 0.000 -4.335) 4.336 6.596 ( 1.941 0.000 -1.666) 2.558 6.647 ( -3.137 0.000 0.081) 3.138 6.949 ( 3.462 0.000 -7.454) 8.219 6.993 ( -0.650 0.000 4.988) 5.031 7.191 ( 4.779 0.000 -3.257) 5.783 7.242 ( 2.565 0.000 4.451) 5.137 7.242 ( -0.182 0.000 5.085) 5.089 7.289 ( -2.147 0.000 -6.355) 6.708 7.393 ( 1.850 0.000 2.814) 3.368 7.433 ( -1.454 0.000 -2.861) 3.209 7.639 ( 8.107 0.000 -2.662) 8.533 7.654 ( 3.152 0.000 -3.138) 4.448 7.666 ( 4.197 0.000 5.307) 6.766 7.749 ( 0.484 0.000 2.467) 2.514 7.816 ( -3.417 0.000 3.249) 4.715 7.888 ( -5.192 0.000 -3.481) 6.251 8.142 ( 12.491 0.000 8.063) 14.867 8.303 ( 6.986 0.000 1.321) 7.109 8.318 ( 7.431 0.000 0.809) 7.475 8.325 ( -4.167 0.000 -3.660) 5.546 8.496 ( -4.607 0.000 1.004) 4.715 8.552 ( -8.315 0.000 -2.910) 8.810 8.575 ( 10.334 0.000 5.111) 11.529 8.599 ( 0.308 0.000 -2.326) 2.346 8.666 ( -4.937 0.000 0.093) 4.938 8.754 ( 7.722 0.000 -2.874) 8.239 8.795 ( -7.362 0.000 -3.540) 8.168 8.893 ( -3.059 0.000 1.227) 3.296 9.056 ( -0.016 0.000 6.227) 6.227 9.070 ( 0.225 0.000 -4.354) 4.360 9.307 ( 0.822 0.000 -2.373) 2.512 9.325 ( -1.378 0.000 -0.717) 1.553 9.387 ( 1.535 0.000 -2.437) 2.880 9.427 ( -0.891 0.000 1.778) 1.989 9.473 ( -3.326 0.000 -0.645) 3.388 9.494 ( -0.359 0.000 0.136) 0.384 9.524 ( -3.066 0.000 -1.999) 3.659 9.615 ( -6.311 0.000 2.989) 6.983 9.726 ( 0.352 0.000 3.279) 3.298 9.757 ( -1.824 0.000 -2.946) 3.465 9.828 ( -1.679 0.000 -7.563) 7.747 9.832 ( -1.322 0.000 8.687) 8.787 10.029 ( 0.317 0.000 0.200) 0.375 10.036 ( -0.612 0.000 -0.087) 0.618 10.428 ( 1.798 0.000 -2.450) 3.039 10.473 ( -2.395 0.000 2.702) 3.611 10.814 ( 6.786 0.000 4.362) 8.067 10.929 ( -3.777 0.000 -4.002) 5.503 11.259 ( 9.847 0.000 5.399) 11.230 11.331 ( 1.526 0.000 -13.535) 13.621 11.588 ( -7.610 0.000 -0.701) 7.642 11.617 ( -12.099 0.000 8.477) 14.773 11.849 ( 3.557 0.000 -16.733) 17.107 11.963 ( -6.865 0.000 16.230) 17.623 13.039 ( 0.120 0.000 1.236) 1.242 13.047 ( -0.594 0.000 -1.496) 1.609 13.082 ( 0.879 0.000 1.119) 1.423 13.102 ( -1.131 0.000 -1.031) 1.530 ======================= Grid point 145 (75/84) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -1.259 -1.977 -12.367) 12.587 1.046 ( 1.259 -1.977 12.367) 12.587 1.474 ( -1.237 7.481 -14.253) 16.144 1.474 ( 1.237 7.481 14.253) 16.144 1.582 ( 3.512 8.454 -13.520) 16.328 1.582 ( -3.512 8.454 13.520) 16.328 1.862 ( -3.386 -8.336 -4.947) 10.267 1.862 ( 3.386 -8.336 4.947) 10.267 2.063 ( 1.664 -8.640 -5.202) 10.221 2.063 ( -1.664 -8.640 5.202) 10.221 2.190 ( -2.852 6.607 -2.159) 7.513 2.190 ( 2.852 6.607 2.159) 7.513 2.380 ( -0.428 2.636 -6.152) 6.706 2.380 ( 0.428 2.636 6.152) 6.706 2.580 ( -2.384 -2.160 -3.563) 4.801 2.580 ( 2.384 -2.160 3.563) 4.801 2.679 ( 1.408 3.980 -7.767) 8.840 2.679 ( -1.408 3.980 7.767) 8.840 2.823 ( 1.908 -1.121 -5.490) 5.919 2.823 ( -1.908 -1.121 5.490) 5.919 2.953 ( -4.032 3.387 -4.577) 6.977 2.953 ( 4.032 3.387 4.577) 6.977 3.176 ( -1.349 2.847 -3.337) 4.589 3.176 ( 1.349 2.847 3.337) 4.589 3.260 ( 1.316 -0.992 -3.944) 4.274 3.260 ( -1.316 -0.992 3.944) 4.274 3.319 ( -2.573 -5.877 -2.045) 6.733 3.319 ( 2.573 -5.877 2.045) 6.733 3.528 ( -2.343 -6.039 -6.386) 9.096 3.528 ( 2.343 -6.039 6.386) 9.096 3.792 ( -3.807 -0.437 0.088) 3.833 3.792 ( 3.807 -0.437 -0.088) 3.833 3.962 ( -4.694 -3.482 -2.418) 6.325 3.962 ( 4.694 -3.482 2.418) 6.325 4.168 ( 0.234 2.480 -1.143) 2.741 4.168 ( -0.234 2.480 1.143) 2.741 4.285 ( -1.706 -2.417 -0.513) 3.002 4.285 ( 1.706 -2.417 0.513) 3.002 4.403 ( 2.874 1.093 -2.778) 4.144 4.403 ( -2.874 1.093 2.778) 4.144 4.541 ( -1.609 1.812 -1.719) 2.971 4.541 ( 1.609 1.812 1.719) 2.971 4.653 ( 0.066 1.163 -0.606) 1.313 4.653 ( -0.066 1.163 0.606) 1.313 4.723 ( 0.545 1.706 -3.238) 3.700 4.723 ( -0.545 1.706 3.238) 3.700 4.861 ( -0.519 -0.043 -2.963) 3.008 4.861 ( 0.519 -0.043 2.963) 3.008 5.044 ( 0.653 -0.677 -3.048) 3.190 5.044 ( -0.653 -0.677 3.048) 3.190 5.116 ( -1.231 2.739 -1.774) 3.487 5.116 ( 1.231 2.739 1.774) 3.487 5.262 ( 0.495 1.195 -1.167) 1.742 5.262 ( -0.495 1.195 1.167) 1.742 5.458 ( 0.792 -2.889 -5.051) 5.872 5.458 ( -0.792 -2.889 5.051) 5.872 5.513 ( 0.498 0.389 -3.151) 3.213 5.513 ( -0.498 0.389 3.151) 3.213 5.586 ( 0.418 -0.156 -0.976) 1.073 5.586 ( -0.418 -0.156 0.976) 1.073 6.128 ( 0.441 1.401 -4.984) 5.196 6.128 ( -0.441 1.401 4.984) 5.196 6.570 ( -1.323 -1.473 -1.769) 2.655 6.570 ( 1.323 -1.473 1.769) 2.655 6.778 ( -0.183 3.833 -3.726) 5.349 6.778 ( 0.183 3.833 3.726) 5.349 6.935 ( -1.100 -3.015 -0.397) 3.234 6.935 ( 1.100 -3.015 0.397) 3.234 7.147 ( -1.924 0.845 -0.272) 2.119 7.147 ( 1.924 0.845 0.272) 2.119 7.203 ( -2.830 -1.202 -0.213) 3.082 7.203 ( 2.830 -1.202 0.213) 3.082 7.335 ( -1.685 1.028 -3.252) 3.805 7.335 ( 1.685 1.028 3.252) 3.805 7.428 ( -2.174 -1.259 -3.192) 4.062 7.428 ( 2.174 -1.259 3.192) 4.062 7.649 ( 1.825 2.317 -1.304) 3.225 7.649 ( -1.825 2.317 1.304) 3.225 7.834 ( 2.373 -3.681 -5.444) 6.987 7.834 ( -2.373 -3.681 5.444) 6.987 8.152 ( 0.627 0.222 -1.740) 1.863 8.152 ( -0.627 0.222 1.740) 1.863 8.311 ( -0.126 0.671 -4.815) 4.863 8.311 ( 0.126 0.671 4.815) 4.863 8.767 ( -1.440 2.738 -4.030) 5.080 8.767 ( 1.440 2.738 4.030) 5.080 8.872 ( -0.230 -0.177 -1.612) 1.638 8.872 ( 0.230 -0.177 1.612) 1.638 8.991 ( 0.123 0.416 -2.134) 2.177 8.991 ( -0.123 0.416 2.134) 2.177 9.103 ( 1.803 -5.050 -1.333) 5.526 9.103 ( -1.803 -5.050 1.333) 5.526 9.317 ( 0.545 1.751 -0.863) 2.027 9.317 ( -0.545 1.751 0.863) 2.027 9.428 ( 0.113 1.101 -0.238) 1.132 9.428 ( -0.113 1.101 0.238) 1.132 9.680 ( -1.023 -3.887 -3.289) 5.193 9.680 ( 1.023 -3.887 3.289) 5.193 9.720 ( -0.310 -4.128 -3.013) 5.120 9.720 ( 0.310 -4.128 3.013) 5.120 9.936 ( 0.301 0.306 -5.718) 5.735 9.936 ( -0.301 0.306 5.718) 5.735 10.033 ( -1.615 6.069 -8.817) 10.825 10.033 ( 1.615 6.069 8.817) 10.825 10.286 ( -4.850 -3.605 -4.575) 7.580 10.286 ( 4.850 -3.605 4.575) 7.580 10.391 ( -1.944 -0.476 -3.353) 3.905 10.391 ( 1.944 -0.476 3.353) 3.905 10.774 ( 3.304 4.159 -2.006) 5.678 10.774 ( -3.304 4.159 2.006) 5.678 10.822 ( -0.899 0.648 -3.201) 3.388 10.822 ( 0.899 0.648 3.201) 3.388 12.065 ( -2.869 -1.346 -9.358) 9.880 12.065 ( 2.869 -1.346 9.358) 9.880 12.748 ( -0.060 -1.248 -5.468) 5.609 12.748 ( 0.060 -1.248 5.468) 5.609 13.111 ( -0.064 1.504 -1.652) 2.235 13.111 ( 0.064 1.504 1.652) 2.235 13.225 ( 0.444 1.048 -4.490) 4.632 13.225 ( -0.444 1.048 4.490) 4.632 ======================= Grid point 147 (76/84) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.075 0.771 -11.400) 11.426 1.057 ( -2.539 1.055 10.375) 10.733 1.401 ( -3.427 11.125 0.957) 11.680 1.461 ( 1.781 6.403 -0.709) 6.684 1.590 ( 4.983 6.055 1.813) 8.049 1.650 ( -2.081 -1.018 -6.851) 7.232 1.792 ( -0.965 -0.756 -2.836) 3.090 1.917 ( -1.900 -9.480 9.151) 13.313 2.003 ( -1.508 -7.611 -0.486) 7.775 2.041 ( -3.679 -6.770 -2.880) 8.225 2.185 ( 1.215 -3.994 -4.931) 6.461 2.263 ( 0.809 7.682 0.802) 7.766 2.369 ( 0.707 0.820 7.152) 7.234 2.402 ( 1.083 6.698 -2.630) 7.277 2.448 ( -4.653 0.156 -4.033) 6.160 2.606 ( 1.216 0.798 -0.008) 1.454 2.616 ( -7.513 0.736 -0.099) 7.550 2.754 ( 1.817 2.320 -2.117) 3.628 2.796 ( 1.274 2.961 -0.003) 3.223 2.865 ( 3.982 -1.765 9.015) 10.012 2.906 ( -1.197 5.716 -1.079) 5.939 3.019 ( 5.760 -2.024 -0.201) 6.108 3.112 ( -7.415 -0.762 4.248) 8.579 3.195 ( 2.385 3.485 1.065) 4.355 3.266 ( 0.816 -5.896 -2.324) 6.389 3.282 ( -1.196 1.287 0.620) 1.863 3.354 ( 7.087 -4.435 -1.807) 8.554 3.423 ( 7.054 -1.492 1.349) 7.335 3.513 ( 0.182 -2.241 -4.716) 5.224 3.584 ( 1.873 -6.267 7.226) 9.747 3.700 ( -4.268 0.581 -1.588) 4.591 3.836 ( 0.188 -5.426 -0.215) 5.434 3.883 ( -3.741 1.117 -0.898) 4.006 4.054 ( 3.382 -1.900 0.919) 3.986 4.156 ( -0.124 1.752 0.372) 1.795 4.216 ( 1.740 0.925 -1.165) 2.289 4.231 ( -2.371 -2.553 1.913) 3.975 4.344 ( 3.308 -2.898 -0.460) 4.422 4.363 ( 0.436 1.423 1.143) 1.877 4.454 ( 1.708 -0.943 -3.587) 4.084 4.503 ( -1.630 1.136 -0.688) 2.103 4.546 ( -3.435 -1.600 -0.143) 3.792 4.564 ( -3.203 1.609 0.512) 3.620 4.655 ( -1.341 1.467 -2.053) 2.857 4.702 ( -0.526 3.455 -1.129) 3.673 4.747 ( 2.593 4.162 -0.386) 4.919 4.889 ( 2.668 -1.115 -0.640) 2.962 4.943 ( 4.608 -1.024 0.206) 4.725 5.042 ( 0.341 -0.236 2.127) 2.167 5.057 ( -2.677 3.336 0.704) 4.335 5.073 ( 2.316 0.642 -1.881) 3.052 5.145 ( 0.704 3.352 0.783) 3.513 5.244 ( 0.388 -0.437 0.853) 1.034 5.288 ( 0.810 0.565 -0.327) 1.040 5.459 ( 1.036 -2.547 4.180) 5.003 5.483 ( 2.050 -2.427 -5.460) 6.317 5.527 ( 2.234 0.660 2.911) 3.729 5.562 ( 4.319 -0.232 0.356) 4.340 5.635 ( 4.937 0.809 -0.219) 5.007 5.661 ( 6.726 -0.220 -1.638) 6.926 6.114 ( -1.019 0.860 4.174) 4.382 6.130 ( -0.061 0.620 -4.777) 4.818 6.538 ( -0.699 0.192 -2.866) 2.956 6.615 ( 2.249 -3.577 -1.398) 4.450 6.798 ( 2.991 2.918 -3.516) 5.461 6.826 ( 4.131 3.792 -0.152) 5.609 6.964 ( 3.542 -1.979 3.937) 5.653 6.989 ( 3.284 -2.560 5.449) 6.858 7.129 ( 0.274 0.141 -1.554) 1.584 7.167 ( -1.982 -0.743 -2.021) 2.927 7.222 ( 5.966 2.484 -0.878) 6.522 7.297 ( 6.166 0.468 1.766) 6.431 7.339 ( 3.150 0.221 -2.162) 3.827 7.390 ( 2.169 0.205 -0.266) 2.194 7.420 ( 2.193 -1.130 -2.692) 3.652 7.493 ( 4.833 -2.472 3.895) 6.681 7.629 ( 0.956 3.136 3.638) 4.897 7.729 ( 5.250 1.322 -0.090) 5.415 7.815 ( 0.593 -2.925 5.488) 6.247 7.896 ( 3.894 -3.146 -3.998) 6.407 8.150 ( 0.332 0.230 0.830) 0.923 8.182 ( 2.641 -1.326 -2.850) 4.105 8.305 ( -0.083 0.576 -2.143) 2.221 8.313 ( 0.024 0.528 4.025) 4.059 8.734 ( -1.790 3.009 -3.075) 4.660 8.788 ( 0.311 2.583 3.417) 4.295 8.851 ( -1.855 -0.984 -1.275) 2.456 8.870 ( -0.525 1.284 0.996) 1.708 8.970 ( -1.512 -1.082 0.602) 1.954 8.996 ( -0.754 0.050 0.942) 1.208 9.067 ( -1.180 -2.991 0.200) 3.222 9.141 ( 1.606 -2.945 -1.714) 3.767 9.265 ( -2.552 1.014 -0.611) 2.813 9.328 ( -0.330 -0.938 -0.712) 1.223 9.439 ( 0.507 3.070 0.583) 3.166 9.444 ( 1.087 2.286 1.266) 2.830 9.619 ( -2.778 -1.899 0.443) 3.394 9.666 ( -2.264 -2.659 1.112) 3.666 9.710 ( 0.136 -5.220 -0.396) 5.236 9.751 ( -0.049 -6.698 -1.516) 6.868 9.886 ( -4.758 2.442 0.932) 5.428 9.917 ( -1.656 -0.443 2.382) 2.935 9.980 ( -1.632 1.590 -2.732) 3.557 10.081 ( -0.979 4.439 -3.100) 5.502 10.172 ( -4.556 -0.419 -0.563) 4.609 10.330 ( -3.343 2.545 -1.595) 4.494 10.390 ( 2.117 -3.557 1.098) 4.282 10.437 ( 4.579 -1.659 0.422) 4.888 10.703 ( -1.820 9.942 0.611) 10.126 10.805 ( 1.054 0.464 -1.983) 2.293 10.821 ( 0.730 -0.924 -0.145) 1.187 10.982 ( 11.674 -1.231 -1.791) 11.874 11.937 ( -9.872 0.768 -8.672) 13.163 12.057 ( -3.455 -3.989 9.199) 10.605 12.660 ( -9.307 -0.122 -2.287) 9.585 12.671 ( -8.416 -0.431 4.777) 9.687 13.098 ( -1.098 1.409 0.212) 1.799 13.110 ( -0.425 1.712 0.291) 1.788 13.158 ( -4.897 0.739 1.546) 5.188 13.194 ( -2.929 -0.014 -2.061) 3.582 ======================= Grid point 148 (77/84) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -5.075 5.455 13.218) 15.173 1.018 ( -0.870 3.703 -13.886) 14.397 1.402 ( 1.693 8.252 -5.321) 9.963 1.510 ( -8.400 -2.952 1.681) 9.061 1.578 ( 6.290 -1.728 1.512) 6.696 1.681 ( -1.309 -1.468 1.123) 2.264 1.778 ( -0.552 1.593 -4.259) 4.581 1.838 ( -1.774 -0.855 1.919) 2.750 1.936 ( 1.429 -2.829 -3.412) 4.657 2.046 ( -0.748 2.356 5.921) 6.416 2.144 ( -2.355 1.658 -2.961) 4.131 2.288 ( -0.290 -2.429 0.788) 2.570 2.331 ( -3.609 0.744 -0.412) 3.708 2.377 ( -0.005 -3.778 -1.171) 3.955 2.476 ( -1.139 -5.089 -2.102) 5.622 2.527 ( 4.544 0.581 3.982) 6.070 2.682 ( 4.086 7.492 -2.996) 9.045 2.745 ( -2.840 -0.722 -0.199) 2.937 2.783 ( 1.135 1.311 0.644) 1.849 2.894 ( 1.469 3.536 -3.086) 4.918 2.938 ( -8.164 -3.960 0.420) 9.084 3.010 ( 4.194 4.660 12.019) 13.556 3.179 ( 3.556 -0.280 -0.673) 3.630 3.211 ( -2.818 1.196 3.274) 4.483 3.244 ( 3.207 1.590 0.348) 3.596 3.281 ( 0.524 -1.215 -2.040) 2.431 3.420 ( -1.333 -3.189 -3.593) 4.986 3.503 ( 0.086 -1.832 -3.474) 3.928 3.535 ( -1.223 0.408 2.958) 3.227 3.604 ( 5.614 -0.130 2.309) 6.072 3.697 ( -1.957 -5.074 2.168) 5.854 3.754 ( -2.060 2.062 1.788) 3.420 3.853 ( -0.161 -4.368 0.265) 4.379 4.066 ( -2.432 3.555 -4.211) 6.024 4.129 ( -3.736 -5.553 0.528) 6.714 4.148 ( -2.109 -4.070 -0.107) 4.585 4.288 ( 2.645 0.941 -1.822) 3.347 4.383 ( 1.295 0.249 1.550) 2.035 4.403 ( 0.411 -0.163 0.567) 0.719 4.451 ( 0.894 -0.551 -2.474) 2.688 4.504 ( 2.738 -1.832 0.185) 3.299 4.509 ( 1.877 -0.165 1.445) 2.375 4.562 ( 1.250 2.251 -0.434) 2.611 4.623 ( -0.615 0.391 -1.086) 1.308 4.734 ( 2.509 2.852 -2.321) 4.452 4.803 ( 2.615 2.644 -1.668) 4.075 4.906 ( -0.564 0.259 0.406) 0.742 4.985 ( -0.009 -1.178 1.806) 2.156 5.036 ( 0.058 0.564 1.622) 1.718 5.077 ( 2.310 -1.416 -0.289) 2.725 5.131 ( 3.356 2.619 0.032) 4.257 5.152 ( 0.370 4.371 0.203) 4.392 5.266 ( 1.520 -1.185 0.376) 1.964 5.301 ( 0.887 -0.307 0.010) 0.939 5.498 ( 2.625 -2.030 3.108) 4.547 5.533 ( 2.989 -1.711 -4.820) 5.924 5.598 ( 4.973 1.883 3.504) 6.368 5.673 ( 6.808 -1.422 1.479) 7.110 5.756 ( 7.164 2.151 -1.355) 7.602 5.814 ( 8.353 -0.502 -2.163) 8.643 6.098 ( -0.505 0.265 3.266) 3.316 6.130 ( 0.211 -0.419 -4.841) 4.864 6.546 ( 1.334 0.524 -4.364) 4.593 6.653 ( 1.540 -4.366 -2.221) 5.135 6.863 ( 3.182 2.869 -5.055) 6.626 6.929 ( 5.856 3.861 0.133) 7.015 7.023 ( 1.782 -2.080 5.190) 5.869 7.077 ( 5.777 -1.501 4.517) 7.485 7.137 ( 0.438 0.481 -3.035) 3.104 7.162 ( 2.818 -2.383 -2.928) 4.711 7.350 ( 6.811 4.372 -1.041) 8.161 7.390 ( 2.237 1.062 2.460) 3.491 7.414 ( 1.730 -0.568 -2.817) 3.354 7.440 ( 6.836 0.268 -2.220) 7.192 7.507 ( 5.667 -0.332 1.645) 5.910 7.610 ( 6.378 -3.409 4.372) 8.450 7.694 ( 5.795 3.618 6.235) 9.250 7.829 ( 3.919 -2.623 4.026) 6.201 7.871 ( 5.617 1.331 -0.041) 5.773 7.977 ( 4.913 -2.463 -1.557) 5.712 8.161 ( 0.608 -0.013 2.105) 2.191 8.251 ( 3.659 -4.449 -1.752) 6.021 8.326 ( 2.026 0.369 3.365) 3.945 8.327 ( 3.436 0.557 -3.102) 4.662 8.691 ( -2.859 2.658 -1.706) 4.260 8.776 ( -1.954 1.528 1.488) 2.892 8.805 ( -2.503 1.258 -1.125) 3.019 8.853 ( -1.625 2.518 0.710) 3.080 8.927 ( -2.950 -1.514 0.691) 3.387 8.959 ( -2.198 -3.140 1.079) 3.981 9.061 ( -0.242 1.247 -0.559) 1.388 9.157 ( -0.019 0.812 -2.363) 2.499 9.241 ( 0.390 0.823 -0.726) 1.164 9.330 ( 0.763 -2.985 1.162) 3.293 9.424 ( -2.116 4.214 -0.578) 4.751 9.458 ( 0.389 2.953 0.697) 3.059 9.582 ( -2.467 -3.159 1.283) 4.209 9.625 ( -1.430 -2.691 0.205) 3.054 9.691 ( -3.586 -4.027 -2.669) 6.016 9.718 ( -1.720 -4.745 0.776) 5.106 9.793 ( -4.067 1.225 -2.731) 5.049 9.877 ( -2.686 -1.614 4.697) 5.646 9.931 ( -4.048 1.232 2.206) 4.772 10.002 ( -4.700 -2.535 -9.099) 10.550 10.112 ( -2.662 5.370 0.380) 6.006 10.259 ( -4.167 5.848 1.402) 7.316 10.379 ( -1.584 -1.714 -0.216) 2.344 10.555 ( 5.240 -1.876 0.934) 5.644 10.683 ( -0.273 10.953 0.697) 10.979 10.844 ( 2.653 0.276 -2.212) 3.466 10.855 ( 3.225 -3.863 -0.211) 5.037 11.203 ( 9.781 -7.469 -3.893) 12.908 11.722 ( -10.445 4.002 -8.563) 14.087 11.963 ( -5.872 -6.206 6.866) 10.960 12.398 ( -16.943 1.961 0.140) 17.057 12.433 ( -15.387 0.994 6.383) 16.688 13.070 ( -1.686 0.995 0.294) 1.979 13.081 ( -2.201 0.484 -0.394) 2.287 13.102 ( -0.742 1.052 0.688) 1.460 13.148 ( -1.642 -0.527 -1.083) 2.037 ======================= Grid point 149 (78/84) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -2.681 3.971 3.739) 6.078 1.043 ( 3.197 -1.452 -5.893) 6.860 1.233 ( -14.543 -0.273 5.252) 15.465 1.405 ( -13.691 -5.492 2.502) 14.963 1.531 ( 7.350 5.864 -6.928) 11.680 1.782 ( 6.349 -3.079 -5.099) 8.706 1.877 ( 5.635 -3.803 -0.654) 6.830 1.887 ( 8.796 5.134 5.329) 11.495 1.988 ( -0.862 -0.246 1.786) 1.998 2.053 ( 4.350 6.003 0.529) 7.432 2.092 ( -6.100 1.920 0.274) 6.401 2.243 ( 1.329 4.857 -2.478) 5.613 2.315 ( -1.810 -0.413 -0.185) 1.866 2.352 ( -0.042 -3.961 0.207) 3.966 2.470 ( -0.686 -7.609 1.387) 7.765 2.579 ( -3.479 -0.167 2.217) 4.129 2.736 ( 5.782 -4.310 0.633) 7.239 2.756 ( 0.411 4.383 -2.198) 4.921 2.771 ( -2.404 2.177 -1.335) 3.507 2.870 ( 0.538 3.511 -0.523) 3.590 2.923 ( -7.827 3.032 3.387) 9.051 2.966 ( 4.093 0.258 -4.189) 5.862 3.118 ( -5.934 2.864 3.394) 7.412 3.137 ( -7.156 2.315 1.904) 7.759 3.222 ( -4.011 1.157 0.256) 4.183 3.346 ( -2.236 -2.551 -0.878) 3.504 3.387 ( 4.303 -1.494 -2.487) 5.190 3.500 ( -1.079 -2.625 -1.447) 3.186 3.524 ( -1.168 -3.679 -0.904) 3.964 3.604 ( 1.151 -3.315 2.657) 4.402 3.733 ( 0.169 0.587 -0.850) 1.047 3.757 ( 3.033 3.472 7.907) 9.153 3.878 ( -0.529 -2.907 -3.309) 4.437 4.006 ( 0.279 -4.509 -1.449) 4.745 4.073 ( -2.546 0.567 2.804) 3.829 4.104 ( -1.974 -0.567 2.113) 2.947 4.344 ( 4.771 0.448 -4.988) 6.917 4.405 ( 1.980 0.276 -5.096) 5.474 4.443 ( 3.141 1.088 5.209) 6.179 4.504 ( 3.159 -0.219 1.156) 3.371 4.554 ( 1.978 -0.485 1.753) 2.687 4.567 ( 2.775 1.125 -2.785) 4.089 4.604 ( 1.096 -1.445 -0.091) 1.816 4.628 ( 2.130 -2.641 -1.020) 3.543 4.762 ( 0.278 2.734 -0.763) 2.852 4.819 ( -1.162 2.660 -0.820) 3.016 4.905 ( 0.697 -2.216 -0.699) 2.426 4.967 ( -1.411 -2.120 2.194) 3.361 5.032 ( -0.234 1.294 3.534) 3.771 5.099 ( -0.510 -0.902 -1.786) 2.065 5.175 ( 1.853 3.162 -0.991) 3.797 5.181 ( 1.790 1.740 0.152) 2.501 5.294 ( 1.451 -0.593 0.010) 1.567 5.328 ( 1.586 -0.154 0.352) 1.632 5.549 ( 2.400 -1.178 2.476) 3.644 5.582 ( 1.981 -1.289 -3.997) 4.643 5.712 ( 6.443 2.018 4.380) 8.048 5.803 ( 5.992 -1.725 1.605) 6.439 5.886 ( 5.795 2.400 -1.994) 6.581 5.947 ( 4.738 -0.597 -2.520) 5.400 6.101 ( 0.893 0.192 2.240) 2.419 6.137 ( 0.529 -0.752 -4.249) 4.348 6.572 ( 1.209 0.459 -3.619) 3.843 6.661 ( -0.787 -3.334 -1.557) 3.763 6.915 ( 2.773 2.789 -5.605) 6.847 7.016 ( 2.320 4.567 1.571) 5.358 7.061 ( 3.359 -3.487 0.959) 4.936 7.173 ( 4.110 -0.043 -0.188) 4.115 7.201 ( 4.276 -0.841 3.350) 5.496 7.220 ( 2.902 -4.688 -4.245) 6.958 7.384 ( -0.850 0.836 2.897) 3.133 7.432 ( 0.680 -0.191 -3.551) 3.621 7.516 ( 7.976 2.625 -0.393) 8.406 7.572 ( 6.406 0.295 -2.313) 6.817 7.608 ( 5.203 3.376 2.680) 6.756 7.713 ( 3.778 -1.241 3.284) 5.158 7.834 ( 5.713 0.442 7.742) 9.632 7.888 ( 3.443 -2.258 3.115) 5.163 7.966 ( 2.929 2.349 -2.766) 4.663 8.113 ( 8.973 -2.752 3.311) 9.952 8.181 ( 2.594 -0.834 2.437) 3.655 8.290 ( 0.965 -4.662 -0.267) 4.768 8.409 ( 6.882 0.944 1.829) 7.183 8.458 ( 7.707 -1.927 -2.813) 8.428 8.636 ( -1.494 2.476 -0.289) 2.906 8.698 ( -5.704 -0.512 -0.268) 5.733 8.760 ( -2.912 4.243 -2.907) 5.910 8.797 ( -3.896 4.508 1.132) 6.065 8.873 ( -2.181 -3.540 0.944) 4.264 8.940 ( -0.693 -0.774 0.635) 1.218 9.027 ( -3.302 1.221 -1.342) 3.768 9.138 ( -2.038 1.723 -4.218) 4.992 9.276 ( 2.611 1.439 0.433) 3.012 9.351 ( 1.166 -2.219 1.147) 2.757 9.380 ( -1.225 2.176 -1.676) 3.007 9.454 ( -1.658 1.683 0.984) 2.559 9.512 ( -2.976 -1.180 -1.419) 3.502 9.582 ( -5.289 -1.197 -0.338) 5.434 9.616 ( -1.466 -1.487 1.285) 2.452 9.672 ( -3.108 -0.874 -2.115) 3.860 9.745 ( -2.385 -1.968 1.032) 3.260 9.809 ( -4.804 -3.602 1.762) 6.258 9.848 ( -2.201 4.330 1.502) 5.084 9.932 ( -2.989 -0.974 -2.720) 4.157 10.071 ( -1.247 3.553 -2.180) 4.352 10.175 ( -4.289 9.247 2.835) 10.580 10.355 ( -0.231 -2.797 -1.865) 3.370 10.584 ( -2.115 1.680 1.543) 3.111 10.718 ( 3.583 5.759 2.950) 7.397 10.882 ( 0.582 -3.855 -1.109) 4.054 10.945 ( 5.919 -7.976 -1.910) 10.114 11.282 ( -1.717 -12.447 -3.111) 12.944 11.622 ( 0.366 6.387 -8.899) 10.960 11.850 ( -4.982 -4.127 -2.139) 6.814 12.057 ( -17.373 4.649 3.793) 18.380 12.151 ( -12.469 1.258 9.966) 16.012 13.047 ( -0.598 0.479 0.472) 0.900 13.057 ( -0.635 -0.106 -0.399) 0.757 13.090 ( -0.415 1.241 0.274) 1.337 13.123 ( -1.074 -0.253 -0.768) 1.344 ======================= Grid point 150 (79/84) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 0.930 3.387 -5.610) 6.619 0.959 ( -8.924 3.225 6.453) 11.475 1.143 ( 2.627 -6.863 1.956) 7.605 1.204 ( -5.704 -6.077 -0.807) 8.374 1.717 ( 9.989 2.967 -2.877) 10.810 1.827 ( -1.364 -1.168 -2.200) 2.840 1.911 ( -1.663 -0.491 2.234) 2.828 1.940 ( -2.476 -1.922 -3.959) 5.049 2.046 ( 2.621 -2.290 7.450) 8.223 2.090 ( 4.449 -1.141 2.503) 5.231 2.146 ( 2.856 -0.373 -1.754) 3.373 2.190 ( 1.607 0.840 -0.553) 1.895 2.298 ( -1.249 0.193 0.549) 1.378 2.381 ( 0.308 1.794 -3.169) 3.655 2.514 ( 1.975 6.521 -3.881) 7.841 2.573 ( 2.102 5.396 4.097) 7.094 2.610 ( -3.058 6.408 -2.131) 7.413 2.656 ( -6.150 4.789 2.075) 8.066 2.749 ( -6.668 3.708 2.086) 7.910 2.833 ( -10.236 6.044 1.016) 11.930 2.929 ( 6.782 -2.034 -2.818) 7.620 3.004 ( 2.626 -6.780 1.996) 7.540 3.036 ( -2.236 5.006 -0.292) 5.490 3.076 ( 1.524 -5.622 -2.782) 6.455 3.216 ( 2.619 -3.126 -2.466) 4.766 3.295 ( -3.675 -3.809 3.212) 6.191 3.429 ( 0.907 -4.488 -1.494) 4.816 3.468 ( -2.789 -3.726 2.979) 5.526 3.522 ( 3.231 -0.594 -4.405) 5.495 3.635 ( -6.158 -1.049 2.416) 6.698 3.654 ( 3.225 -1.333 1.242) 3.704 3.763 ( -5.205 -2.374 -2.753) 6.349 3.944 ( 7.718 4.958 2.930) 9.630 4.027 ( 1.262 0.264 1.494) 1.973 4.053 ( -2.482 0.664 4.392) 5.088 4.077 ( -0.564 -0.972 -1.918) 2.223 4.451 ( 2.448 0.866 -5.560) 6.136 4.461 ( 5.437 -0.484 -4.543) 7.101 4.478 ( 0.578 1.944 5.318) 5.692 4.534 ( -1.199 0.129 1.160) 1.673 4.571 ( 0.661 -1.166 2.101) 2.492 4.585 ( -1.247 -0.521 -3.276) 3.544 4.630 ( 3.846 0.010 -1.787) 4.241 4.680 ( 0.842 -2.892 0.865) 3.134 4.757 ( -0.644 1.794 -2.416) 3.077 4.773 ( -2.504 1.466 3.660) 4.670 4.921 ( 0.984 -2.947 -1.413) 3.413 4.942 ( -1.198 -2.939 1.673) 3.588 5.040 ( 1.122 1.676 3.204) 3.786 5.072 ( -1.828 0.745 -2.422) 3.125 5.200 ( 0.682 0.754 2.110) 2.343 5.203 ( 0.485 1.104 -2.729) 2.984 5.325 ( 1.619 0.100 0.059) 1.623 5.344 ( -0.114 0.069 0.171) 0.216 5.587 ( 1.442 -0.708 2.648) 3.098 5.601 ( 0.094 -0.844 -3.267) 3.376 5.830 ( 5.139 0.623 4.284) 6.720 5.878 ( 1.006 -1.320 -0.779) 1.834 5.962 ( 2.244 2.079 -0.636) 3.124 5.984 ( -0.149 0.899 -2.083) 2.274 6.129 ( 1.398 -0.303 2.073) 2.519 6.143 ( -0.004 -0.671 -3.121) 3.192 6.594 ( 1.448 -0.026 -1.512) 2.094 6.630 ( -2.096 -1.524 -0.308) 2.610 6.975 ( 3.332 2.607 -5.349) 6.820 7.023 ( -1.355 3.060 3.394) 4.766 7.141 ( 4.245 -4.587 0.676) 6.286 7.203 ( -1.514 -4.216 -1.345) 4.678 7.258 ( 2.236 0.210 2.870) 3.644 7.271 ( 1.285 0.097 -2.814) 3.095 7.382 ( 1.036 -0.193 3.100) 3.275 7.417 ( -1.826 -1.306 -2.631) 3.458 7.648 ( 4.664 0.637 -0.655) 4.752 7.673 ( 3.793 0.727 -3.618) 5.292 7.715 ( 3.766 3.449 4.038) 6.510 7.779 ( 5.964 1.775 1.136) 6.325 7.812 ( -4.863 1.488 2.791) 5.801 7.910 ( -5.211 2.034 -1.557) 5.807 8.068 ( 8.729 -5.272 4.260) 11.051 8.203 ( -3.750 -8.276 -3.276) 9.658 8.303 ( 10.137 0.943 5.768) 11.702 8.360 ( 7.075 0.135 2.195) 7.409 8.493 ( -3.232 0.547 -2.059) 3.871 8.532 ( -2.983 -1.173 -3.496) 4.744 8.598 ( 3.750 2.332 2.727) 5.190 8.691 ( -3.602 2.024 -1.991) 4.586 8.727 ( 4.201 2.696 0.830) 5.061 8.734 ( 3.028 3.623 1.490) 4.951 8.829 ( -5.626 0.628 -1.564) 5.873 8.848 ( -5.811 -0.223 -2.627) 6.381 9.003 ( 1.190 -3.534 4.463) 5.816 9.069 ( -4.725 -2.203 -6.068) 8.000 9.321 ( 2.277 1.936 0.676) 3.064 9.359 ( -1.416 0.074 -1.166) 1.836 9.399 ( 2.167 1.958 -0.458) 2.956 9.414 ( -0.209 -0.504 0.361) 0.654 9.485 ( -0.626 2.164 -1.693) 2.818 9.535 ( -3.738 2.664 2.158) 5.072 9.548 ( 0.841 2.212 -0.742) 2.480 9.628 ( -3.771 0.590 2.376) 4.496 9.688 ( -0.303 -2.503 2.416) 3.492 9.731 ( -3.604 -2.516 -3.615) 5.691 9.845 ( 0.898 2.547 -0.355) 2.724 9.876 ( -2.463 1.600 1.495) 3.295 10.069 ( 1.089 4.334 -2.103) 4.939 10.107 ( -2.770 7.812 2.162) 8.566 10.393 ( 4.399 -3.825 -3.110) 6.608 10.501 ( -5.917 -0.061 2.938) 6.607 10.792 ( 3.679 0.310 4.596) 5.895 10.856 ( -2.745 -5.048 -3.415) 6.684 11.076 ( 7.636 -11.386 -4.375) 14.391 11.211 ( -5.478 -13.425 3.330) 14.877 11.627 ( 1.637 7.164 -7.212) 10.296 11.757 ( -11.026 3.987 0.495) 11.735 11.862 ( 3.798 2.962 -5.788) 7.530 11.973 ( -7.151 0.159 11.950) 13.928 13.043 ( 0.105 0.353 0.839) 0.916 13.049 ( -0.344 0.140 -0.795) 0.878 13.090 ( 0.408 0.669 0.588) 0.979 13.104 ( -0.920 0.067 -0.783) 1.210 ======================= Grid point 155 (80/84) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.000 0.000 0.000) 0.000 1.025 ( 0.000 0.000 0.000) 0.000 1.600 ( -0.000 -0.000 0.000) 0.000 1.600 ( -0.000 -0.000 0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.745 ( -0.000 -0.000 0.000) 0.000 1.745 ( -0.000 0.000 0.000) 0.000 1.916 ( -0.000 0.000 0.000) 0.000 1.916 ( -0.000 0.000 0.000) 0.000 2.379 ( -0.000 -0.000 0.000) 0.000 2.379 ( 0.000 -0.000 0.000) 0.000 2.405 ( -0.000 0.000 -0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 2.467 ( -0.000 0.000 0.000) 0.000 2.467 ( -0.000 0.000 0.000) 0.000 2.680 ( 0.000 -0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.885 ( -0.000 0.000 0.000) 0.000 2.885 ( -0.000 -0.000 0.000) 0.000 2.967 ( -0.000 -0.000 -0.000) 0.000 2.967 ( -0.000 0.000 0.000) 0.000 3.208 ( -0.000 -0.000 -0.000) 0.000 3.208 ( 0.000 -0.000 0.000) 0.000 3.216 ( -0.000 0.000 -0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.271 ( -0.000 -0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.473 ( -0.000 0.000 0.000) 0.000 3.769 ( -0.000 0.000 0.000) 0.000 3.769 ( -0.000 0.000 0.000) 0.000 3.935 ( -0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 -0.000 0.000) 0.000 4.257 ( -0.000 0.000 0.000) 0.000 4.257 ( -0.000 0.000 0.000) 0.000 4.417 ( -0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.574 ( -0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.768 ( -0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 4.858 ( -0.000 0.000 0.000) 0.000 5.033 ( -0.000 0.000 -0.000) 0.000 5.033 ( -0.000 0.000 0.000) 0.000 5.150 ( -0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.286 ( -0.000 -0.000 0.000) 0.000 5.286 ( -0.000 0.000 0.000) 0.000 5.412 ( 0.000 0.000 0.000) 0.000 5.412 ( 0.000 0.000 0.000) 0.000 5.519 ( -0.000 0.000 0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 5.584 ( -0.000 0.000 0.000) 0.000 5.584 ( -0.000 0.000 0.000) 0.000 6.147 ( -0.000 0.000 0.000) 0.000 6.147 ( -0.000 0.000 0.000) 0.000 6.556 ( -0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 6.825 ( -0.000 -0.000 -0.000) 0.000 6.825 ( -0.000 0.000 0.000) 0.000 6.895 ( 0.000 0.000 0.000) 0.000 6.895 ( 0.000 0.000 0.000) 0.000 7.167 ( -0.000 -0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.178 ( -0.000 0.000 0.000) 0.000 7.178 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 -0.000) 0.000 7.347 ( -0.000 0.000 0.000) 0.000 7.412 ( -0.000 0.000 0.000) 0.000 7.412 ( 0.000 0.000 0.000) 0.000 7.692 ( -0.000 0.000 0.000) 0.000 7.692 ( -0.000 0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 7.776 ( -0.000 0.000 0.000) 0.000 8.155 ( -0.000 0.000 0.000) 0.000 8.155 ( 0.000 0.000 0.000) 0.000 8.319 ( -0.000 0.000 0.000) 0.000 8.319 ( -0.000 0.000 0.000) 0.000 8.810 ( -0.000 0.000 0.000) 0.000 8.810 ( 0.000 0.000 0.000) 0.000 8.866 ( -0.000 0.000 0.000) 0.000 8.866 ( -0.000 0.000 0.000) 0.000 9.004 ( -0.000 -0.000 0.000) 0.000 9.004 ( -0.000 0.000 0.000) 0.000 9.031 ( 0.000 0.000 0.000) 0.000 9.031 ( 0.000 0.000 0.000) 0.000 9.337 ( -0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.441 ( -0.000 0.000 0.000) 0.000 9.441 ( 0.000 0.000 0.000) 0.000 9.653 ( 0.000 -0.000 -0.000) 0.000 9.653 ( -0.000 -0.000 0.000) 0.000 9.658 ( 0.000 0.000 -0.000) 0.000 9.658 ( -0.000 0.000 0.000) 0.000 9.937 ( 0.000 0.000 0.000) 0.000 9.937 ( -0.000 0.000 0.000) 0.000 10.119 ( -0.000 0.000 0.000) 0.000 10.119 ( 0.000 -0.000 0.000) 0.000 10.224 ( -0.000 0.000 -0.000) 0.000 10.224 ( -0.000 0.000 0.000) 0.000 10.386 ( -0.000 0.000 0.000) 0.000 10.386 ( -0.000 0.000 0.000) 0.000 10.812 ( -0.000 -0.000 0.000) 0.000 10.812 ( -0.000 0.000 0.000) 0.000 10.839 ( 0.000 -0.000 -0.000) 0.000 10.839 ( -0.000 0.000 0.000) 0.000 12.049 ( -0.000 0.000 0.000) 0.000 12.049 ( -0.000 0.000 0.000) 0.000 12.734 ( -0.000 0.000 0.000) 0.000 12.734 ( -0.000 0.000 0.000) 0.000 13.128 ( -0.000 0.000 0.000) 0.000 13.128 ( -0.000 0.000 0.000) 0.000 13.238 ( -0.000 0.000 0.000) 0.000 13.238 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 159 (81/84) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 2.334 -1.036 -0.938) 2.720 1.059 ( 2.334 1.036 -0.938) 2.720 1.550 ( -4.029 -4.751 5.000) 7.988 1.550 ( -4.029 4.751 5.000) 7.988 1.666 ( -4.232 -9.320 -8.783) 13.488 1.666 ( -4.232 9.320 -8.783) 13.488 1.784 ( 4.553 -3.644 4.780) 7.540 1.784 ( 4.553 3.644 4.780) 7.540 1.910 ( 1.022 -5.396 -3.643) 6.590 1.910 ( 1.022 5.396 -3.643) 6.590 2.248 ( -5.996 -6.833 2.040) 9.317 2.248 ( -5.996 6.833 2.040) 9.317 2.428 ( -3.029 -2.248 0.773) 3.850 2.428 ( -3.029 2.248 0.773) 3.850 2.570 ( 2.537 -4.525 -2.393) 5.713 2.570 ( 2.537 4.525 -2.393) 5.713 2.628 ( -0.193 -8.113 -0.213) 8.118 2.628 ( -0.193 8.113 -0.213) 8.118 2.925 ( 2.556 -6.546 -0.320) 7.035 2.925 ( 2.556 6.546 -0.320) 7.035 2.979 ( 2.471 -6.770 2.371) 7.587 2.979 ( 2.471 6.770 2.371) 7.587 3.092 ( -4.591 -5.169 1.331) 7.040 3.092 ( -4.591 5.169 1.331) 7.040 3.252 ( 2.423 -3.448 1.332) 4.420 3.252 ( 2.423 3.448 1.332) 4.420 3.389 ( 5.407 -4.800 -2.301) 7.587 3.389 ( 5.407 4.800 -2.301) 7.587 3.495 ( 3.030 -3.194 3.239) 5.465 3.495 ( 3.030 3.194 3.239) 5.465 3.739 ( -2.870 -3.295 -0.667) 4.420 3.739 ( -2.870 3.295 -0.667) 4.420 3.956 ( 1.411 -5.668 0.733) 5.886 3.956 ( 1.411 5.668 0.733) 5.886 4.188 ( -2.451 -1.169 -0.899) 2.861 4.188 ( -2.451 1.169 -0.899) 2.861 4.271 ( 2.453 -3.755 -0.016) 4.485 4.271 ( 2.453 3.755 -0.016) 4.485 4.416 ( 0.493 -2.914 -2.136) 3.646 4.416 ( 0.493 2.914 -2.136) 3.646 4.522 ( -3.625 -0.880 -0.018) 3.730 4.522 ( -3.625 0.880 -0.018) 3.730 4.630 ( -0.911 -3.459 -0.206) 3.583 4.630 ( -0.911 3.459 -0.206) 3.583 4.761 ( 0.318 -1.910 -0.022) 1.936 4.761 ( 0.318 1.910 -0.022) 1.936 4.912 ( 3.877 -2.239 0.081) 4.478 4.912 ( 3.877 2.239 0.081) 4.478 5.043 ( 0.580 -0.790 -1.699) 1.961 5.043 ( 0.580 0.790 -1.699) 1.961 5.153 ( 0.690 -2.980 1.647) 3.474 5.153 ( 0.690 2.980 1.647) 3.474 5.272 ( -0.794 -2.633 1.406) 3.089 5.272 ( -0.794 2.633 1.406) 3.089 5.436 ( 2.356 -1.288 -1.113) 2.907 5.436 ( 2.356 1.288 -1.113) 2.907 5.548 ( 3.152 -1.173 2.161) 3.998 5.548 ( 3.152 1.173 2.161) 3.998 5.651 ( 6.252 -0.800 -1.592) 6.501 5.651 ( 6.252 0.800 -1.592) 6.501 6.132 ( -1.230 -0.639 -0.675) 1.542 6.132 ( -1.230 0.639 -0.675) 1.542 6.560 ( 0.598 -2.087 -1.960) 2.924 6.560 ( 0.598 2.087 -1.960) 2.924 6.846 ( 3.005 -1.609 -3.144) 4.637 6.846 ( 3.005 1.609 -3.144) 4.637 6.952 ( 4.233 -1.075 5.740) 7.213 6.952 ( 4.233 1.075 5.740) 7.213 7.146 ( -0.716 -1.286 -1.659) 2.217 7.146 ( -0.716 1.286 -1.659) 2.217 7.270 ( 7.240 -2.459 -0.591) 7.669 7.270 ( 7.240 2.459 -0.591) 7.669 7.370 ( 2.389 -2.163 -1.016) 3.379 7.370 ( 2.389 2.163 -1.016) 3.379 7.435 ( 2.671 -2.634 1.744) 4.136 7.435 ( 2.671 2.634 1.744) 4.136 7.703 ( 1.613 -3.863 4.290) 5.994 7.703 ( 1.613 3.863 4.290) 5.994 7.824 ( 4.342 -3.658 -2.222) 6.096 7.824 ( 4.342 3.658 -2.222) 6.096 8.159 ( 0.580 -0.850 -0.483) 1.137 8.159 ( 0.580 0.850 -0.483) 1.137 8.316 ( -0.113 -0.289 0.479) 0.571 8.316 ( -0.113 0.289 0.479) 0.571 8.793 ( -1.671 -2.395 -1.019) 3.093 8.793 ( -1.671 2.395 -1.019) 3.093 8.872 ( 0.413 -2.568 1.286) 2.902 8.872 ( 0.413 2.568 1.286) 2.902 8.958 ( -2.965 -1.837 1.686) 3.874 8.958 ( -2.965 1.837 1.686) 3.874 9.080 ( 3.047 -2.694 -2.238) 4.642 9.080 ( 3.047 2.694 -2.238) 4.642 9.297 ( -2.631 -1.978 0.425) 3.319 9.297 ( -2.631 1.978 0.425) 3.319 9.476 ( 2.210 -0.236 0.672) 2.321 9.476 ( 2.210 0.236 0.672) 2.321 9.633 ( -1.919 -3.357 1.799) 4.265 9.633 ( -1.919 3.357 1.799) 4.265 9.648 ( -1.075 -2.014 -1.976) 3.020 9.648 ( -1.075 2.014 -1.976) 3.020 9.912 ( -2.715 -0.465 3.930) 4.799 9.912 ( -2.715 0.465 3.930) 4.799 10.037 ( -5.165 -4.069 -8.468) 10.721 10.037 ( -5.165 4.069 -8.468) 10.721 10.278 ( 0.419 -6.450 2.522) 6.938 10.278 ( 0.419 6.450 2.522) 6.938 10.396 ( 2.880 -2.551 0.706) 3.911 10.396 ( 2.880 2.551 0.706) 3.911 10.797 ( -0.852 -1.282 0.135) 1.545 10.797 ( -0.852 1.282 0.135) 1.545 10.904 ( 5.312 -7.027 -1.973) 9.027 10.904 ( 5.312 7.027 -1.973) 9.027 11.978 ( -6.782 -3.509 -0.540) 7.655 11.978 ( -6.782 3.509 -0.540) 7.655 12.662 ( -7.870 -0.370 1.717) 8.064 12.662 ( -7.870 0.370 1.717) 8.064 13.121 ( -0.872 -0.605 0.559) 1.199 13.121 ( -0.872 0.605 0.559) 1.199 13.182 ( -4.429 -1.269 -0.583) 4.644 13.182 ( -4.429 1.269 -0.583) 4.644 ======================= Grid point 161 (82/84) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -3.045 -1.737 -0.841) 3.605 1.055 ( -3.045 1.737 -0.841) 3.605 1.466 ( -6.620 -4.377 3.274) 8.585 1.466 ( -6.620 4.377 3.274) 8.585 1.615 ( 0.802 -7.791 -5.950) 9.836 1.615 ( 0.802 7.791 -5.950) 9.836 1.807 ( 0.157 -3.487 1.192) 3.688 1.807 ( 0.157 3.487 1.192) 3.688 2.023 ( 8.414 -8.479 -1.280) 12.013 2.023 ( 8.414 8.479 -1.280) 12.013 2.182 ( -1.709 -6.330 2.122) 6.892 2.182 ( -1.709 6.330 2.122) 6.892 2.340 ( -3.551 -5.083 -0.993) 6.279 2.340 ( -3.551 5.083 -0.993) 6.279 2.485 ( -3.699 -5.121 -0.229) 6.321 2.485 ( -3.699 5.121 -0.229) 6.321 2.733 ( 2.091 -1.307 -0.919) 2.632 2.733 ( 2.091 1.307 -0.919) 2.632 2.861 ( -3.488 -4.217 1.455) 5.663 2.861 ( -3.488 4.217 1.455) 5.663 3.020 ( 0.091 -6.339 3.460) 7.222 3.020 ( 0.091 6.339 3.460) 7.222 3.164 ( 7.082 -2.400 -3.157) 8.117 3.164 ( 7.082 2.400 -3.157) 8.117 3.285 ( -0.260 -3.124 2.814) 4.212 3.285 ( -0.260 3.124 2.814) 4.212 3.413 ( 0.352 -5.503 -1.583) 5.737 3.413 ( 0.352 5.503 -1.583) 5.737 3.571 ( -0.973 -3.078 3.946) 5.098 3.571 ( -0.973 3.078 3.946) 5.098 3.706 ( 3.159 -4.652 0.258) 5.629 3.706 ( 3.159 4.652 0.258) 5.629 3.930 ( -4.967 -10.197 0.361) 11.348 3.930 ( -4.967 10.197 0.361) 11.348 4.122 ( -1.934 -1.702 -3.321) 4.203 4.122 ( -1.934 1.702 -3.321) 4.203 4.329 ( 2.103 -3.375 -3.199) 5.103 4.329 ( 2.103 3.375 -3.199) 5.103 4.430 ( 1.632 -1.966 1.029) 2.755 4.430 ( 1.632 1.966 1.029) 2.755 4.501 ( 1.726 -0.482 1.192) 2.153 4.501 ( 1.726 0.482 1.192) 2.153 4.610 ( -0.747 -1.978 0.540) 2.182 4.610 ( -0.747 1.978 0.540) 2.182 4.787 ( 2.071 -2.432 -1.918) 3.726 4.787 ( 2.071 2.432 -1.918) 3.726 4.952 ( -0.504 -2.513 1.540) 2.991 4.952 ( -0.504 2.513 1.540) 2.991 5.051 ( 0.816 -1.093 0.528) 1.463 5.051 ( 0.816 1.093 0.528) 1.463 5.184 ( 1.941 -1.971 -0.411) 2.797 5.184 ( 1.941 1.971 -0.411) 2.797 5.272 ( 0.890 -2.289 1.140) 2.708 5.272 ( 0.890 2.289 1.140) 2.708 5.493 ( 3.312 -1.610 -1.242) 3.886 5.493 ( 3.312 1.610 -1.242) 3.886 5.639 ( 5.948 -2.161 3.307) 7.141 5.639 ( 5.948 2.161 3.307) 7.141 5.793 ( 7.868 -1.628 -2.366) 8.376 5.793 ( 7.868 1.628 -2.366) 8.376 6.114 ( -0.449 -1.121 -1.360) 1.819 6.114 ( -0.449 1.121 -1.360) 1.819 6.580 ( 1.393 -3.000 -3.179) 4.588 6.580 ( 1.393 3.000 -3.179) 4.588 6.919 ( 3.736 -2.969 -2.787) 5.526 6.919 ( 3.736 2.969 -2.787) 5.526 7.046 ( 5.486 -2.302 5.429) 8.054 7.046 ( 5.486 2.302 5.429) 8.054 7.137 ( 0.161 -0.247 -3.388) 3.401 7.137 ( 0.161 0.247 -3.388) 3.401 7.400 ( 2.987 -1.085 0.011) 3.178 7.400 ( 2.987 1.085 0.011) 3.178 7.426 ( 5.726 -2.037 -2.405) 6.536 7.426 ( 5.726 2.037 -2.405) 6.536 7.536 ( 7.196 -3.448 4.342) 9.084 7.536 ( 7.196 3.448 4.342) 9.084 7.765 ( 4.605 -3.566 5.562) 8.054 7.765 ( 4.605 3.566 5.562) 8.054 7.921 ( 5.580 -3.223 -2.434) 6.888 7.921 ( 5.580 3.223 -2.434) 6.888 8.179 ( 1.195 -2.332 0.980) 2.798 8.179 ( 1.195 2.332 0.980) 2.798 8.332 ( 2.603 -0.153 -0.235) 2.618 8.332 ( 2.603 0.153 -0.235) 2.618 8.747 ( -3.070 -2.673 -0.750) 4.139 8.747 ( -3.070 2.673 -0.750) 4.139 8.866 ( -1.977 -3.769 0.901) 4.350 8.866 ( -1.977 3.769 0.901) 4.350 8.908 ( -1.379 -2.563 1.401) 3.230 8.908 ( -1.379 2.563 1.401) 3.230 9.123 ( 0.962 -3.794 -3.444) 5.214 9.123 ( 0.962 3.794 -3.444) 5.214 9.274 ( 0.682 -2.395 1.892) 3.127 9.274 ( 0.682 2.395 1.892) 3.127 9.489 ( -1.595 -1.307 -0.401) 2.101 9.489 ( -1.595 1.307 -0.401) 2.101 9.583 ( -2.533 -3.995 -0.110) 4.732 9.583 ( -2.533 3.995 -0.110) 4.732 9.635 ( -0.211 -1.256 1.081) 1.671 9.635 ( -0.211 1.256 1.081) 1.671 9.837 ( -4.851 -2.618 1.287) 5.661 9.837 ( -4.851 2.618 1.287) 5.661 9.952 ( -3.352 -1.584 -5.422) 6.568 9.952 ( -3.352 1.584 -5.422) 6.568 10.230 ( -3.684 -5.574 0.315) 6.688 10.230 ( -3.684 5.574 0.315) 6.688 10.473 ( 3.117 -6.747 2.176) 7.745 10.473 ( 3.117 6.747 2.176) 7.745 10.788 ( 0.162 -2.255 0.163) 2.267 10.788 ( 0.162 2.255 0.163) 2.267 10.997 ( 3.248 -12.616 -3.138) 13.400 10.997 ( 3.248 12.616 -3.138) 13.400 11.832 ( -6.950 -6.807 -2.240) 9.983 11.832 ( -6.950 6.807 -2.240) 9.983 12.432 ( -15.203 -1.141 4.114) 15.791 12.432 ( -15.203 1.141 4.114) 15.791 13.084 ( -2.358 -0.355 0.148) 2.389 13.084 ( -2.358 0.355 0.148) 2.389 13.129 ( -1.150 -1.437 -0.368) 1.876 13.129 ( -1.150 1.437 -0.368) 1.876 ======================= Grid point 163 (83/84) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -2.597 -4.723 -0.966) 5.476 0.988 ( -2.597 4.723 -0.966) 5.476 1.272 ( -11.939 -5.084 3.073) 13.335 1.272 ( -11.939 5.084 3.073) 13.335 1.676 ( 4.701 -7.051 -6.278) 10.547 1.676 ( 4.701 7.051 -6.278) 10.547 1.877 ( 5.859 -2.634 2.237) 6.802 1.877 ( 5.859 2.634 2.237) 6.802 2.081 ( -3.496 -4.234 1.502) 5.692 2.081 ( -3.496 4.234 1.502) 5.692 2.184 ( 2.385 -7.833 0.938) 8.242 2.184 ( 2.385 7.833 0.938) 8.242 2.307 ( -1.544 -6.064 -0.666) 6.293 2.307 ( -1.544 6.064 -0.666) 6.293 2.529 ( 8.791 -10.117 0.539) 13.413 2.529 ( 8.791 10.117 0.539) 13.413 2.671 ( -2.163 -4.996 -0.323) 5.454 2.671 ( -2.163 4.996 -0.323) 5.454 2.868 ( -2.667 -4.745 -1.431) 5.628 2.868 ( -2.667 4.745 -1.431) 5.628 2.992 ( -2.029 -2.242 1.091) 3.214 2.992 ( -2.029 2.242 1.091) 3.214 3.184 ( -4.271 -2.497 -2.341) 5.473 3.184 ( -4.271 2.497 -2.341) 5.473 3.254 ( -3.206 -4.353 3.952) 6.697 3.254 ( -3.206 4.353 3.952) 6.697 3.415 ( -1.448 -5.624 1.233) 5.937 3.415 ( -1.448 5.624 1.233) 5.937 3.515 ( -0.547 -3.863 -1.950) 4.361 3.515 ( -0.547 3.863 -1.950) 4.361 3.782 ( -1.183 -3.546 -2.257) 4.367 3.782 ( -1.183 3.546 -2.257) 4.367 3.889 ( 5.385 -6.510 3.540) 9.161 3.889 ( 5.385 6.510 3.540) 9.161 4.090 ( -2.112 -0.939 1.751) 2.900 4.090 ( -2.112 0.939 1.751) 2.900 4.373 ( 3.785 -2.259 -7.139) 8.390 4.373 ( 3.785 2.259 -7.139) 8.390 4.491 ( 3.298 -2.623 2.387) 4.843 4.491 ( 3.298 2.623 2.387) 4.843 4.550 ( 2.900 -0.660 2.947) 4.187 4.550 ( 2.900 0.660 2.947) 4.187 4.604 ( -0.133 -0.753 -0.898) 1.180 4.604 ( -0.133 0.753 -0.898) 1.180 4.814 ( 0.108 -2.457 -1.100) 2.694 4.814 ( 0.108 2.457 -1.100) 2.694 4.917 ( -2.050 -2.761 1.072) 3.602 4.917 ( -2.050 2.761 1.072) 3.602 5.067 ( 0.437 -2.041 1.092) 2.356 5.067 ( 0.437 2.041 1.092) 2.356 5.208 ( 0.580 -0.830 -1.281) 1.633 5.208 ( 0.580 0.830 -1.281) 1.633 5.304 ( 2.065 -1.865 0.751) 2.882 5.304 ( 2.065 1.865 0.751) 2.882 5.551 ( 2.550 -1.401 -0.843) 3.029 5.551 ( 2.550 1.401 -0.843) 3.029 5.760 ( 6.026 -2.669 3.533) 7.478 5.760 ( 6.026 2.669 3.533) 7.478 5.926 ( 5.428 -1.657 -2.678) 6.275 5.926 ( 5.428 1.657 -2.678) 6.275 6.116 ( 0.644 -1.201 -1.459) 1.997 6.116 ( 0.644 1.201 -1.459) 1.997 6.600 ( 0.586 -2.549 -2.686) 3.749 6.600 ( 0.586 2.549 -2.686) 3.749 6.981 ( 3.139 -3.950 -1.627) 5.301 6.981 ( 3.139 3.950 -1.627) 5.301 7.117 ( 0.777 -5.189 -0.053) 5.248 7.117 ( 0.777 5.189 -0.053) 5.248 7.186 ( 5.096 -1.149 -0.238) 5.229 7.186 ( 5.096 1.149 -0.238) 5.229 7.410 ( -0.562 -1.544 -0.131) 1.648 7.410 ( -0.562 1.544 -0.131) 1.648 7.561 ( 6.862 -1.386 -1.670) 7.197 7.561 ( 6.862 1.386 -1.670) 7.197 7.671 ( 6.393 -2.851 3.600) 7.871 7.671 ( 6.393 2.851 3.600) 7.871 7.853 ( 3.366 -1.433 4.921) 6.132 7.853 ( 3.366 1.433 4.921) 6.132 8.035 ( 5.443 -4.599 -2.301) 7.488 8.035 ( 5.443 4.599 -2.301) 7.488 8.202 ( 2.343 -3.273 4.185) 5.807 8.202 ( 2.343 3.273 4.185) 5.807 8.434 ( 7.447 -1.341 -1.338) 7.684 8.434 ( 7.447 1.341 -1.338) 7.684 8.677 ( -4.007 -1.688 -0.207) 4.353 8.677 ( -4.007 1.688 -0.207) 4.353 8.808 ( -3.126 -2.402 -0.470) 3.970 8.808 ( -3.126 2.402 -0.470) 3.970 8.896 ( -0.845 -3.716 1.888) 4.253 8.896 ( -0.845 3.716 1.888) 4.253 9.101 ( -3.540 -4.797 -4.937) 7.741 9.101 ( -3.540 4.797 -4.937) 7.741 9.313 ( 2.640 -1.944 1.744) 3.714 9.313 ( 2.640 1.944 1.744) 3.714 9.424 ( -3.258 -2.412 -1.820) 4.444 9.424 ( -3.258 2.412 -1.820) 4.444 9.558 ( -0.422 -2.105 2.434) 3.246 9.558 ( -0.422 2.105 2.434) 3.246 9.625 ( -1.313 -3.328 0.690) 3.644 9.625 ( -1.313 3.328 0.690) 3.644 9.745 ( -4.195 -2.893 -1.900) 5.438 9.745 ( -4.195 2.893 -1.900) 5.438 9.904 ( -1.705 -1.828 0.298) 2.518 9.904 ( -1.705 1.828 0.298) 2.518 10.174 ( -1.395 -6.064 -2.024) 6.543 10.174 ( -1.395 6.064 -2.024) 6.543 10.479 ( -2.884 -10.900 2.251) 11.498 10.479 ( -2.884 10.900 2.251) 11.498 10.808 ( 1.814 -2.735 -0.375) 3.303 10.808 ( 1.814 2.735 -0.375) 3.303 11.006 ( -1.723 -13.866 -0.816) 13.996 11.006 ( -1.723 13.866 -0.816) 13.996 11.749 ( -1.591 -6.114 -7.230) 9.602 11.749 ( -1.591 6.114 -7.230) 9.602 12.138 ( -14.021 -2.771 7.546) 16.162 12.138 ( -14.021 2.771 7.546) 16.162 13.055 ( -0.734 -0.219 0.104) 0.773 13.055 ( -0.734 0.219 0.104) 0.773 13.112 ( -0.717 -0.907 -0.289) 1.192 13.112 ( -0.717 0.907 -0.289) 1.192 ======================= Grid point 165 (84/84) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.955 -5.954 -0.865) 6.091 0.974 ( 0.955 5.954 -0.865) 6.091 1.078 ( -6.819 -5.119 1.514) 8.660 1.078 ( -6.819 5.119 1.514) 8.660 1.776 ( 5.612 -3.104 -3.146) 7.143 1.776 ( 5.612 3.104 -3.146) 7.143 1.921 ( -5.651 -1.079 0.465) 5.772 1.921 ( -5.651 1.079 0.465) 5.772 2.033 ( 4.257 -2.203 3.909) 6.185 2.033 ( 4.257 2.203 3.909) 6.185 2.181 ( -4.248 -2.975 -0.196) 5.190 2.181 ( -4.248 2.975 -0.196) 5.190 2.346 ( 6.662 -3.817 -1.944) 7.920 2.346 ( 6.662 3.817 -1.944) 7.920 2.635 ( -6.128 -2.226 3.295) 7.305 2.635 ( -6.128 2.226 3.295) 7.305 2.719 ( 6.281 -7.611 -2.079) 10.085 2.719 ( 6.281 7.611 -2.079) 10.085 2.827 ( 8.103 -7.330 -1.137) 10.986 2.827 ( 8.103 7.330 -1.137) 10.986 2.918 ( -6.100 -4.859 -0.725) 7.832 2.918 ( -6.100 4.859 -0.725) 7.832 3.040 ( -9.782 -5.332 0.316) 11.146 3.040 ( -9.782 5.332 0.316) 11.146 3.222 ( -0.222 -3.154 1.072) 3.339 3.222 ( -0.222 3.154 1.072) 3.339 3.378 ( -1.394 -1.299 1.299) 2.306 3.378 ( -1.394 1.299 1.299) 2.306 3.565 ( 5.011 -3.637 -2.589) 6.711 3.565 ( 5.011 3.637 -2.589) 6.711 3.702 ( -5.713 -3.507 -0.411) 6.716 3.702 ( -5.713 3.507 -0.411) 6.716 4.019 ( 4.871 -2.235 0.418) 5.376 4.019 ( 4.871 2.235 0.418) 5.376 4.058 ( -0.962 -0.402 3.420) 3.575 4.058 ( -0.962 0.402 3.420) 3.575 4.454 ( 3.583 -0.102 -5.187) 6.305 4.454 ( 3.583 0.102 -5.187) 6.305 4.527 ( 0.469 -2.106 4.269) 4.783 4.527 ( 0.469 2.106 4.269) 4.783 4.569 ( -1.408 -1.538 -0.637) 2.180 4.569 ( -1.408 1.538 -0.637) 2.180 4.635 ( 3.337 -1.089 -1.754) 3.923 4.635 ( 3.337 1.089 -1.754) 3.923 4.785 ( -2.389 -0.643 1.491) 2.889 4.785 ( -2.389 0.643 1.491) 2.889 4.896 ( -0.345 -1.018 -0.105) 1.080 4.896 ( -0.345 1.018 -0.105) 1.080 5.069 ( -0.043 -1.028 0.397) 1.103 5.069 ( -0.043 1.028 0.397) 1.103 5.212 ( 0.016 -0.312 -0.583) 0.662 5.212 ( 0.016 0.312 -0.583) 0.662 5.336 ( 0.944 -0.823 0.263) 1.280 5.336 ( 0.944 0.823 0.263) 1.280 5.585 ( 0.906 -0.577 -0.304) 1.116 5.585 ( 0.906 0.577 -0.304) 1.116 5.851 ( 2.801 -1.404 1.942) 3.686 5.851 ( 2.801 1.404 1.942) 3.686 5.990 ( 1.469 -0.569 -1.588) 2.237 5.990 ( 1.469 0.569 -1.588) 2.237 6.130 ( 0.522 -0.470 -0.616) 0.935 6.130 ( 0.522 0.471 -0.616) 0.935 6.602 ( -0.110 -1.019 -1.008) 1.438 6.602 ( -0.110 1.019 -1.008) 1.438 7.046 ( 3.567 -4.678 -1.293) 6.023 7.046 ( 3.567 4.678 -1.293) 6.023 7.104 ( -2.046 -5.085 0.126) 5.482 7.104 ( -2.046 5.085 0.126) 5.482 7.269 ( 2.695 -0.554 0.239) 2.761 7.269 ( 2.695 0.554 0.239) 2.761 7.393 ( -0.865 -1.114 -0.015) 1.410 7.393 ( -0.865 1.114 -0.015) 1.410 7.665 ( 3.391 -0.970 -1.392) 3.792 7.665 ( 3.391 0.970 -1.392) 3.792 7.766 ( 2.428 -1.744 2.191) 3.707 7.766 ( 2.428 1.744 2.191) 3.707 7.898 ( 1.973 -4.610 2.137) 5.451 7.898 ( 1.973 4.610 2.137) 5.451 8.057 ( -1.802 -5.562 -1.964) 6.168 8.057 ( -1.802 5.562 -1.964) 6.168 8.335 ( 9.549 -1.962 6.044) 11.470 8.335 ( 9.549 1.962 6.044) 11.470 8.511 ( -3.807 -1.059 -4.284) 5.828 8.511 ( -3.807 1.059 -4.284) 5.828 8.654 ( 4.271 -3.450 0.083) 5.491 8.654 ( 4.271 3.450 0.083) 5.491 8.759 ( -2.043 -3.582 0.400) 4.143 8.759 ( -2.043 3.582 0.400) 4.143 8.875 ( -0.618 -5.058 3.234) 6.035 8.875 ( -0.618 5.058 3.234) 6.035 8.990 ( -6.240 -4.876 -5.455) 9.616 8.990 ( -6.240 4.876 -5.455) 9.616 9.350 ( 0.980 -0.891 0.342) 1.368 9.350 ( 0.980 0.891 0.342) 1.368 9.414 ( 1.561 -0.157 -1.126) 1.931 9.414 ( 1.561 0.157 -1.126) 1.931 9.538 ( -2.214 -2.070 2.555) 3.964 9.538 ( -2.214 2.070 2.555) 3.964 9.606 ( 0.563 -2.931 0.392) 3.010 9.606 ( 0.563 2.931 0.392) 3.010 9.682 ( -2.300 -2.376 -1.317) 3.559 9.682 ( -2.300 2.376 -1.317) 3.559 9.882 ( -0.685 -0.886 0.848) 1.405 9.882 ( -0.685 0.886 0.848) 1.405 10.193 ( 2.862 -5.860 -2.291) 6.912 10.193 ( 2.862 5.860 -2.291) 6.912 10.382 ( -5.591 -8.918 1.684) 10.659 10.382 ( -5.591 8.918 1.684) 10.659 10.848 ( 1.883 -2.564 -1.009) 3.337 10.848 ( 1.883 2.564 -1.009) 3.337 10.965 ( -1.858 -7.797 1.299) 8.119 10.965 ( -1.858 7.797 1.299) 8.119 11.741 ( 0.235 -3.943 -7.742) 8.691 11.741 ( 0.235 3.943 -7.742) 8.691 11.944 ( -5.494 -3.438 7.212) 9.696 11.944 ( -5.494 3.438 7.212) 9.696 13.049 ( -0.041 -0.157 0.123) 0.204 13.049 ( -0.041 0.157 0.123) 0.204 13.101 ( -0.350 -0.391 -0.189) 0.557 13.101 ( -0.350 0.391 -0.189) 0.557 =================== 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 3/25920 10.0 229.369 172.865 129.450 0.000 9.578 0.000 3/25920 20.0 37.369 35.820 21.014 0.000 0.838 0.000 3/25920 30.0 15.701 15.514 9.249 0.000 0.217 0.000 3/25920 40.0 9.118 9.045 5.565 0.000 0.097 0.000 3/25920 50.0 6.198 6.152 3.871 0.000 0.056 0.000 3/25920 60.0 4.625 4.590 2.934 0.000 0.038 0.000 3/25920 70.0 3.669 3.638 2.352 0.000 0.028 0.000 3/25920 80.0 3.037 3.007 1.963 0.000 0.022 0.000 3/25920 90.0 2.591 2.563 1.685 0.000 0.019 0.000 3/25920 100.0 2.263 2.234 1.479 0.000 0.016 0.000 3/25920 110.0 2.011 1.983 1.320 0.000 0.015 0.000 3/25920 120.0 1.812 1.784 1.194 0.000 0.013 0.000 3/25920 130.0 1.651 1.623 1.092 0.000 0.012 0.000 3/25920 140.0 1.518 1.489 1.006 0.000 0.012 0.000 3/25920 150.0 1.406 1.378 0.934 0.000 0.011 0.000 3/25920 160.0 1.310 1.282 0.872 0.000 0.010 0.000 3/25920 170.0 1.227 1.199 0.819 0.000 0.010 0.000 3/25920 180.0 1.154 1.127 0.771 0.000 0.009 0.000 3/25920 190.0 1.090 1.064 0.730 0.000 0.009 0.000 3/25920 200.0 1.033 1.007 0.692 0.000 0.009 0.000 3/25920 210.0 0.982 0.956 0.659 0.000 0.008 0.000 3/25920 220.0 0.936 0.911 0.628 0.000 0.008 0.000 3/25920 230.0 0.894 0.869 0.601 0.000 0.008 0.000 3/25920 240.0 0.856 0.832 0.576 0.000 0.008 0.000 3/25920 250.0 0.821 0.797 0.553 0.000 0.007 0.000 3/25920 260.0 0.788 0.766 0.531 0.000 0.007 0.000 3/25920 270.0 0.759 0.736 0.512 0.000 0.007 0.000 3/25920 280.0 0.731 0.709 0.493 0.000 0.007 0.000 3/25920 290.0 0.706 0.684 0.476 0.000 0.006 0.000 3/25920 300.0 0.682 0.661 0.461 0.000 0.006 0.000 3/25920 310.0 0.660 0.639 0.446 0.000 0.006 0.000 3/25920 320.0 0.639 0.619 0.432 0.000 0.006 0.000 3/25920 330.0 0.619 0.600 0.419 0.000 0.006 0.000 3/25920 340.0 0.601 0.582 0.407 0.000 0.006 0.000 3/25920 350.0 0.584 0.565 0.395 0.000 0.005 0.000 3/25920 360.0 0.567 0.549 0.384 0.000 0.005 0.000 3/25920 370.0 0.552 0.534 0.374 0.000 0.005 0.000 3/25920 380.0 0.537 0.520 0.364 0.000 0.005 0.000 3/25920 390.0 0.524 0.506 0.355 0.000 0.005 0.000 3/25920 400.0 0.510 0.494 0.346 0.000 0.005 0.000 3/25920 410.0 0.498 0.481 0.337 0.000 0.005 0.000 3/25920 420.0 0.486 0.470 0.329 0.000 0.005 0.000 3/25920 430.0 0.475 0.459 0.322 0.000 0.005 0.000 3/25920 440.0 0.464 0.448 0.315 0.000 0.004 0.000 3/25920 450.0 0.454 0.438 0.308 0.000 0.004 0.000 3/25920 460.0 0.444 0.429 0.301 0.000 0.004 0.000 3/25920 470.0 0.434 0.420 0.295 0.000 0.004 0.000 3/25920 480.0 0.425 0.411 0.288 0.000 0.004 0.000 3/25920 490.0 0.417 0.402 0.283 0.000 0.004 0.000 3/25920 500.0 0.408 0.394 0.277 0.000 0.004 0.000 3/25920 510.0 0.400 0.386 0.272 0.000 0.004 0.000 3/25920 520.0 0.392 0.379 0.266 0.000 0.004 0.000 3/25920 530.0 0.385 0.372 0.261 0.000 0.004 0.000 3/25920 540.0 0.378 0.365 0.257 0.000 0.004 0.000 3/25920 550.0 0.371 0.358 0.252 0.000 0.004 0.000 3/25920 560.0 0.364 0.352 0.247 0.000 0.004 0.000 3/25920 570.0 0.358 0.346 0.243 0.000 0.003 0.000 3/25920 580.0 0.352 0.340 0.239 0.000 0.003 0.000 3/25920 590.0 0.346 0.334 0.235 0.000 0.003 0.000 3/25920 600.0 0.340 0.328 0.231 0.000 0.003 0.000 3/25920 610.0 0.335 0.323 0.227 0.000 0.003 0.000 3/25920 620.0 0.329 0.318 0.224 0.000 0.003 0.000 3/25920 630.0 0.324 0.313 0.220 0.000 0.003 0.000 3/25920 640.0 0.319 0.308 0.217 0.000 0.003 0.000 3/25920 650.0 0.314 0.303 0.213 0.000 0.003 0.000 3/25920 660.0 0.309 0.298 0.210 0.000 0.003 0.000 3/25920 670.0 0.305 0.294 0.207 0.000 0.003 0.000 3/25920 680.0 0.300 0.289 0.204 0.000 0.003 0.000 3/25920 690.0 0.296 0.285 0.201 0.000 0.003 0.000 3/25920 700.0 0.292 0.281 0.198 0.000 0.003 0.000 3/25920 710.0 0.287 0.277 0.195 0.000 0.003 0.000 3/25920 720.0 0.283 0.273 0.193 0.000 0.003 0.000 3/25920 730.0 0.280 0.270 0.190 0.000 0.003 0.000 3/25920 740.0 0.276 0.266 0.187 0.000 0.003 0.000 3/25920 750.0 0.272 0.262 0.185 0.000 0.003 0.000 3/25920 760.0 0.268 0.259 0.182 0.000 0.003 0.000 3/25920 770.0 0.265 0.256 0.180 0.000 0.003 0.000 3/25920 780.0 0.262 0.252 0.178 0.000 0.003 0.000 3/25920 790.0 0.258 0.249 0.176 0.000 0.003 0.000 3/25920 800.0 0.255 0.246 0.173 0.000 0.002 0.000 3/25920 810.0 0.252 0.243 0.171 0.000 0.002 0.000 3/25920 820.0 0.249 0.240 0.169 0.000 0.002 0.000 3/25920 830.0 0.246 0.237 0.167 0.000 0.002 0.000 3/25920 840.0 0.243 0.234 0.165 0.000 0.002 0.000 3/25920 850.0 0.240 0.231 0.163 0.000 0.002 0.000 3/25920 860.0 0.237 0.229 0.161 0.000 0.002 0.000 3/25920 870.0 0.235 0.226 0.159 0.000 0.002 0.000 3/25920 880.0 0.232 0.224 0.158 0.000 0.002 0.000 3/25920 890.0 0.229 0.221 0.156 0.000 0.002 0.000 3/25920 900.0 0.227 0.219 0.154 0.000 0.002 0.000 3/25920 910.0 0.224 0.216 0.152 0.000 0.002 0.000 3/25920 920.0 0.222 0.214 0.151 0.000 0.002 0.000 3/25920 930.0 0.219 0.212 0.149 0.000 0.002 0.000 3/25920 940.0 0.217 0.209 0.148 0.000 0.002 0.000 3/25920 950.0 0.215 0.207 0.146 0.000 0.002 0.000 3/25920 960.0 0.213 0.205 0.145 0.000 0.002 0.000 3/25920 970.0 0.210 0.203 0.143 0.000 0.002 0.000 3/25920 980.0 0.208 0.201 0.142 0.000 0.002 0.000 3/25920 990.0 0.206 0.199 0.140 0.000 0.002 0.000 3/25920 1000.0 0.204 0.197 0.139 0.000 0.002 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m946.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:54:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|