----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:09:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.284834260000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.746868790000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.720670500000001 Atomic positions (fractional): *1 Mg 0.86715501618035 0.43006321284304 0.99069561587058 24.305 *2 Mg 0.59324739777020 0.25000000000000 0.99385566404035 24.305 3 Mg 0.36715501618035 0.06993678715696 0.50930438412942 24.305 4 Mg 0.86715501618035 0.06993678715696 0.99069561587058 24.305 5 Mg 0.40675260222979 0.75000000000000 0.00614433595965 24.305 6 Mg 0.09324739777021 0.25000000000000 0.50614433595965 24.305 7 Mg 0.13284498381965 0.93006321284304 0.00930438412942 24.305 8 Mg 0.36715501618035 0.43006321284304 0.50930438412942 24.305 9 Mg 0.90675260222980 0.75000000000000 0.49385566404035 24.305 10 Mg 0.13284498381965 0.56993678715696 0.00930438412942 24.305 11 Mg 0.63284498381965 0.56993678715696 0.49069561587058 24.305 12 Mg 0.63284498381965 0.93006321284304 0.49069561587058 24.305 *13 Si 0.27992067901118 0.25000000000000 0.07956348805560 28.085 14 Si 0.77992067901118 0.25000000000000 0.42043651194440 28.085 15 Si 0.72007932098882 0.75000000000000 0.92043651194440 28.085 16 Si 0.22007932098882 0.75000000000000 0.57956348805560 28.085 *17 O 0.29183571802710 0.89733627212498 0.73279539422612 15.999 18 O 0.70816428197290 0.10266372787502 0.26720460577388 15.999 *19 O 0.22141311552398 0.75000000000000 0.23547366540261 15.999 *20 O 0.57381931708976 0.75000000000000 0.77748993684078 15.999 21 O 0.92618068291024 0.25000000000000 0.27748993684078 15.999 22 O 0.07381931708976 0.75000000000000 0.72251006315922 15.999 23 O 0.79183571802710 0.89733627212498 0.76720460577388 15.999 24 O 0.77858688447602 0.25000000000000 0.76452633459739 15.999 25 O 0.70816428197290 0.39733627212498 0.26720460577388 15.999 26 O 0.29183571802710 0.60266372787502 0.73279539422612 15.999 27 O 0.72141311552398 0.75000000000000 0.26452633459739 15.999 28 O 0.20816428197290 0.10266372787502 0.23279539422612 15.999 29 O 0.42618068291024 0.25000000000000 0.22251006315922 15.999 30 O 0.79183571802710 0.60266372787502 0.76720460577388 15.999 31 O 0.27858688447602 0.25000000000000 0.73547366540261 15.999 32 O 0.20816428197290 0.39733627212498 0.23279539422612 15.999 *33 F 0.46688630511325 0.91522030408399 0.27340124642059 18.998 34 F 0.96688630511325 0.58477969591601 0.22659875357941 18.998 35 F 0.53311369488675 0.08477969591601 0.72659875357941 18.998 36 F 0.53311369488675 0.41522030408399 0.72659875357941 18.998 37 F 0.03311369488676 0.41522030408399 0.77340124642059 18.998 38 F 0.96688630511325 0.91522030408399 0.22659875357941 18.998 39 F 0.03311369488676 0.08477969591601 0.77340124642059 18.998 40 F 0.46688630511325 0.58477969591601 0.27340124642059 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.284834260000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.746868790000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.720670500000001 Atomic positions (fractional): *1 Mg 0.86715501618035 0.43006321284304 0.99069561587058 24.305 > 1 *2 Mg 0.59324739777020 0.25000000000000 0.99385566404035 24.305 > 2 3 Mg 0.36715501618035 0.06993678715696 0.50930438412942 24.305 > 3 4 Mg 0.86715501618035 0.06993678715696 0.99069561587058 24.305 > 4 5 Mg 0.40675260222979 0.75000000000000 0.00614433595965 24.305 > 5 6 Mg 0.09324739777021 0.25000000000000 0.50614433595965 24.305 > 6 7 Mg 0.13284498381965 0.93006321284304 0.00930438412942 24.305 > 7 8 Mg 0.36715501618035 0.43006321284304 0.50930438412942 24.305 > 8 9 Mg 0.90675260222980 0.75000000000000 0.49385566404035 24.305 > 9 10 Mg 0.13284498381965 0.56993678715696 0.00930438412942 24.305 > 10 11 Mg 0.63284498381965 0.56993678715696 0.49069561587058 24.305 > 11 12 Mg 0.63284498381965 0.93006321284304 0.49069561587058 24.305 > 12 *13 Si 0.27992067901118 0.25000000000000 0.07956348805560 28.085 > 13 14 Si 0.77992067901118 0.25000000000000 0.42043651194440 28.085 > 14 15 Si 0.72007932098882 0.75000000000000 0.92043651194440 28.085 > 15 16 Si 0.22007932098882 0.75000000000000 0.57956348805560 28.085 > 16 *17 O 0.29183571802710 0.89733627212498 0.73279539422612 15.999 > 17 18 O 0.70816428197290 0.10266372787502 0.26720460577388 15.999 > 18 *19 O 0.22141311552398 0.75000000000000 0.23547366540261 15.999 > 19 *20 O 0.57381931708976 0.75000000000000 0.77748993684078 15.999 > 20 21 O 0.92618068291024 0.25000000000000 0.27748993684078 15.999 > 21 22 O 0.07381931708976 0.75000000000000 0.72251006315922 15.999 > 22 23 O 0.79183571802710 0.89733627212498 0.76720460577388 15.999 > 23 24 O 0.77858688447602 0.25000000000000 0.76452633459739 15.999 > 24 25 O 0.70816428197290 0.39733627212498 0.26720460577388 15.999 > 25 26 O 0.29183571802710 0.60266372787502 0.73279539422612 15.999 > 26 27 O 0.72141311552398 0.75000000000000 0.26452633459739 15.999 > 27 28 O 0.20816428197290 0.10266372787502 0.23279539422612 15.999 > 28 29 O 0.42618068291024 0.25000000000000 0.22251006315922 15.999 > 29 30 O 0.79183571802710 0.60266372787502 0.76720460577388 15.999 > 30 31 O 0.27858688447602 0.25000000000000 0.73547366540261 15.999 > 31 32 O 0.20816428197290 0.39733627212498 0.23279539422612 15.999 > 32 *33 F 0.46688630511325 0.91522030408399 0.27340124642059 18.998 > 33 34 F 0.96688630511325 0.58477969591601 0.22659875357941 18.998 > 34 35 F 0.53311369488675 0.08477969591601 0.72659875357941 18.998 > 35 36 F 0.53311369488675 0.41522030408399 0.72659875357941 18.998 > 36 37 F 0.03311369488676 0.41522030408399 0.77340124642059 18.998 > 37 38 F 0.96688630511325 0.91522030408399 0.22659875357941 18.998 > 38 39 F 0.03311369488676 0.08477969591601 0.77340124642059 18.998 > 39 40 F 0.46688630511325 0.58477969591601 0.27340124642059 18.998 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.284834260000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.746868790000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.441341000000001 Atomic positions (fractional): *1 Mg 0.86715501618035 0.43006321284304 0.49534780793529 24.305 > 1 2 Mg 0.86715501618035 0.43006321284304 0.99534780793529 24.305 > 1 *3 Mg 0.59324739777020 0.25000000000000 0.49692783202018 24.305 > 2 4 Mg 0.59324739777020 0.25000000000000 0.99692783202018 24.305 > 2 5 Mg 0.36715501618035 0.06993678715696 0.25465219206471 24.305 > 3 6 Mg 0.36715501618035 0.06993678715696 0.75465219206471 24.305 > 3 7 Mg 0.86715501618035 0.06993678715696 0.49534780793529 24.305 > 4 8 Mg 0.86715501618035 0.06993678715696 0.99534780793529 24.305 > 4 9 Mg 0.40675260222979 0.75000000000000 0.00307216797982 24.305 > 5 10 Mg 0.40675260222979 0.75000000000000 0.50307216797982 24.305 > 5 11 Mg 0.09324739777021 0.25000000000000 0.25307216797982 24.305 > 6 12 Mg 0.09324739777021 0.25000000000000 0.75307216797982 24.305 > 6 13 Mg 0.13284498381965 0.93006321284304 0.00465219206471 24.305 > 7 14 Mg 0.13284498381965 0.93006321284304 0.50465219206471 24.305 > 7 15 Mg 0.36715501618035 0.43006321284304 0.25465219206471 24.305 > 8 16 Mg 0.36715501618035 0.43006321284304 0.75465219206471 24.305 > 8 17 Mg 0.90675260222980 0.75000000000000 0.24692783202018 24.305 > 9 18 Mg 0.90675260222980 0.75000000000000 0.74692783202018 24.305 > 9 19 Mg 0.13284498381965 0.56993678715696 0.00465219206471 24.305 > 10 20 Mg 0.13284498381965 0.56993678715696 0.50465219206471 24.305 > 10 21 Mg 0.63284498381965 0.56993678715696 0.24534780793529 24.305 > 11 22 Mg 0.63284498381965 0.56993678715696 0.74534780793529 24.305 > 11 23 Mg 0.63284498381965 0.93006321284304 0.24534780793529 24.305 > 12 24 Mg 0.63284498381965 0.93006321284304 0.74534780793529 24.305 > 12 *25 Si 0.27992067901118 0.25000000000000 0.03978174402780 28.085 > 13 26 Si 0.27992067901118 0.25000000000000 0.53978174402780 28.085 > 13 27 Si 0.77992067901118 0.25000000000000 0.21021825597220 28.085 > 14 28 Si 0.77992067901118 0.25000000000000 0.71021825597220 28.085 > 14 29 Si 0.72007932098882 0.75000000000000 0.46021825597220 28.085 > 15 30 Si 0.72007932098882 0.75000000000000 0.96021825597220 28.085 > 15 31 Si 0.22007932098882 0.75000000000000 0.28978174402780 28.085 > 16 32 Si 0.22007932098882 0.75000000000000 0.78978174402780 28.085 > 16 *33 O 0.29183571802710 0.89733627212498 0.36639769711306 15.999 > 17 34 O 0.29183571802710 0.89733627212498 0.86639769711306 15.999 > 17 35 O 0.70816428197290 0.10266372787502 0.13360230288694 15.999 > 18 36 O 0.70816428197290 0.10266372787502 0.63360230288694 15.999 > 18 *37 O 0.22141311552398 0.75000000000000 0.11773683270130 15.999 > 19 38 O 0.22141311552398 0.75000000000000 0.61773683270130 15.999 > 19 *39 O 0.57381931708976 0.75000000000000 0.38874496842039 15.999 > 20 40 O 0.57381931708976 0.75000000000000 0.88874496842039 15.999 > 20 41 O 0.92618068291024 0.25000000000000 0.13874496842039 15.999 > 21 42 O 0.92618068291024 0.25000000000000 0.63874496842039 15.999 > 21 43 O 0.07381931708976 0.75000000000000 0.36125503157961 15.999 > 22 44 O 0.07381931708976 0.75000000000000 0.86125503157961 15.999 > 22 45 O 0.79183571802710 0.89733627212498 0.38360230288694 15.999 > 23 46 O 0.79183571802710 0.89733627212498 0.88360230288694 15.999 > 23 47 O 0.77858688447602 0.25000000000000 0.38226316729870 15.999 > 24 48 O 0.77858688447602 0.25000000000000 0.88226316729870 15.999 > 24 49 O 0.70816428197290 0.39733627212498 0.13360230288694 15.999 > 25 50 O 0.70816428197290 0.39733627212498 0.63360230288694 15.999 > 25 51 O 0.29183571802710 0.60266372787502 0.36639769711306 15.999 > 26 52 O 0.29183571802710 0.60266372787502 0.86639769711306 15.999 > 26 53 O 0.72141311552398 0.75000000000000 0.13226316729870 15.999 > 27 54 O 0.72141311552398 0.75000000000000 0.63226316729870 15.999 > 27 55 O 0.20816428197290 0.10266372787502 0.11639769711306 15.999 > 28 56 O 0.20816428197290 0.10266372787502 0.61639769711306 15.999 > 28 57 O 0.42618068291024 0.25000000000000 0.11125503157961 15.999 > 29 58 O 0.42618068291024 0.25000000000000 0.61125503157961 15.999 > 29 59 O 0.79183571802710 0.60266372787502 0.38360230288694 15.999 > 30 60 O 0.79183571802710 0.60266372787502 0.88360230288694 15.999 > 30 61 O 0.27858688447602 0.25000000000000 0.36773683270130 15.999 > 31 62 O 0.27858688447602 0.25000000000000 0.86773683270130 15.999 > 31 63 O 0.20816428197290 0.39733627212498 0.11639769711306 15.999 > 32 64 O 0.20816428197290 0.39733627212498 0.61639769711306 15.999 > 32 *65 F 0.46688630511325 0.91522030408399 0.13670062321029 18.998 > 33 66 F 0.46688630511325 0.91522030408399 0.63670062321029 18.998 > 33 67 F 0.96688630511325 0.58477969591601 0.11329937678971 18.998 > 34 68 F 0.96688630511325 0.58477969591601 0.61329937678971 18.998 > 34 69 F 0.53311369488675 0.08477969591601 0.36329937678971 18.998 > 35 70 F 0.53311369488675 0.08477969591601 0.86329937678971 18.998 > 35 71 F 0.53311369488675 0.41522030408399 0.36329937678971 18.998 > 36 72 F 0.53311369488675 0.41522030408399 0.86329937678971 18.998 > 36 73 F 0.03311369488676 0.41522030408399 0.38670062321029 18.998 > 37 74 F 0.03311369488676 0.41522030408399 0.88670062321029 18.998 > 37 75 F 0.96688630511325 0.91522030408399 0.11329937678971 18.998 > 38 76 F 0.96688630511325 0.91522030408399 0.61329937678971 18.998 > 38 77 F 0.03311369488676 0.08477969591601 0.38670062321029 18.998 > 39 78 F 0.03311369488676 0.08477969591601 0.88670062321029 18.998 > 39 79 F 0.46688630511325 0.58477969591601 0.13670062321029 18.998 > 40 80 F 0.46688630511325 0.58477969591601 0.63670062321029 18.998 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5641139 0.0000000 0.0000000 0.0000000 2.5807619 0.0000000 0.0000000 0.0000000 2.6551539 -------------------------- Born effective charges -------------------------- 1 Mg 1.9193263 0.0754901 -0.0043181 0.0612600 2.1437726 -0.1243650 0.0266601 -0.0191909 2.0058682 2 Mg 2.3090567 0.0000000 0.0269324 0.0000000 1.8218251 -0.0000000 -0.0069447 -0.0000000 2.1145828 3 Mg 1.9193263 -0.0754901 0.0043181 -0.0612600 2.1437726 -0.1243650 -0.0266601 -0.0191909 2.0058682 4 Mg 1.9193263 -0.0754901 -0.0043181 -0.0612600 2.1437726 0.1243650 0.0266601 0.0191909 2.0058682 5 Mg 2.3090567 0.0000000 0.0269324 0.0000000 1.8218251 -0.0000000 -0.0069447 -0.0000000 2.1145828 6 Mg 2.3090567 0.0000000 -0.0269324 0.0000000 1.8218251 -0.0000000 0.0069447 -0.0000000 2.1145828 7 Mg 1.9193263 -0.0754901 -0.0043181 -0.0612600 2.1437726 0.1243650 0.0266601 0.0191909 2.0058682 8 Mg 1.9193263 0.0754901 0.0043181 0.0612600 2.1437726 0.1243650 -0.0266601 0.0191909 2.0058682 9 Mg 2.3090567 0.0000000 -0.0269324 0.0000000 1.8218251 -0.0000000 0.0069447 -0.0000000 2.1145828 10 Mg 1.9193263 0.0754901 -0.0043181 0.0612600 2.1437726 -0.1243650 0.0266601 -0.0191909 2.0058682 11 Mg 1.9193263 0.0754901 0.0043181 0.0612600 2.1437726 0.1243650 -0.0266601 0.0191909 2.0058682 12 Mg 1.9193263 -0.0754901 0.0043181 -0.0612600 2.1437726 -0.1243650 -0.0266601 -0.0191909 2.0058682 13 Si 2.6024597 0.0000000 0.0278667 0.0000000 2.6637595 -0.0000000 -0.0215334 -0.0000000 3.0862405 14 Si 2.6024597 0.0000000 -0.0278667 0.0000000 2.6637595 -0.0000000 0.0215334 -0.0000000 3.0862405 15 Si 2.6024597 0.0000000 0.0278667 0.0000000 2.6637595 -0.0000000 -0.0215334 -0.0000000 3.0862405 16 Si 2.6024597 0.0000000 -0.0278667 0.0000000 2.6637595 -0.0000000 0.0215334 -0.0000000 3.0862405 17 O -1.4935875 -0.2446475 -0.0557135 -0.2299670 -1.9246362 -0.1261768 -0.0383783 -0.0667006 -1.5977157 18 O -1.4935875 -0.2446475 -0.0557135 -0.2299670 -1.9246362 -0.1261768 -0.0383783 -0.0667006 -1.5977157 19 O -1.3146891 0.0000000 0.0039955 0.0000000 -1.4164793 -0.0000000 -0.0156698 -0.0000000 -2.3673493 20 O -2.0239796 0.0000000 -0.1187265 0.0000000 -1.3126985 -0.0000000 -0.0462957 -0.0000000 -1.5686403 21 O -2.0239796 0.0000000 0.1187265 0.0000000 -1.3126985 -0.0000000 0.0462957 -0.0000000 -1.5686403 22 O -2.0239796 0.0000000 0.1187265 0.0000000 -1.3126985 -0.0000000 0.0462957 -0.0000000 -1.5686403 23 O -1.4935875 -0.2446475 0.0557135 -0.2299670 -1.9246362 0.1261768 0.0383783 0.0667006 -1.5977157 24 O -1.3146891 0.0000000 0.0039955 0.0000000 -1.4164793 -0.0000000 -0.0156698 -0.0000000 -2.3673493 25 O -1.4935875 0.2446475 -0.0557135 0.2299670 -1.9246362 0.1261768 -0.0383783 0.0667006 -1.5977157 26 O -1.4935875 0.2446475 -0.0557135 0.2299670 -1.9246362 0.1261768 -0.0383783 0.0667006 -1.5977157 27 O -1.3146891 0.0000000 -0.0039955 0.0000000 -1.4164793 -0.0000000 0.0156698 -0.0000000 -2.3673493 28 O -1.4935875 -0.2446475 0.0557135 -0.2299670 -1.9246362 0.1261768 0.0383783 0.0667006 -1.5977157 29 O -2.0239796 0.0000000 -0.1187265 0.0000000 -1.3126985 -0.0000000 -0.0462957 -0.0000000 -1.5686403 30 O -1.4935875 0.2446475 0.0557135 0.2299670 -1.9246362 -0.1261768 0.0383783 -0.0667006 -1.5977157 31 O -1.3146891 0.0000000 -0.0039955 0.0000000 -1.4164793 -0.0000000 0.0156698 -0.0000000 -2.3673493 32 O -1.4935875 0.2446475 0.0557135 0.2299670 -1.9246362 -0.1261768 0.0383783 -0.0667006 -1.5977157 33 F -1.2121626 0.0526661 -0.0507952 0.0190325 -1.0973397 -0.1823675 -0.0316593 -0.1719584 -1.0405694 34 F -1.2121626 -0.0526661 0.0507952 -0.0190325 -1.0973397 -0.1823675 0.0316593 -0.1719584 -1.0405694 35 F -1.2121626 0.0526661 -0.0507952 0.0190325 -1.0973397 -0.1823675 -0.0316593 -0.1719584 -1.0405694 36 F -1.2121626 -0.0526661 -0.0507952 -0.0190325 -1.0973397 0.1823675 -0.0316593 0.1719584 -1.0405694 37 F -1.2121626 -0.0526661 0.0507952 -0.0190325 -1.0973397 -0.1823675 0.0316593 -0.1719584 -1.0405694 38 F -1.2121626 0.0526661 0.0507952 0.0190325 -1.0973397 0.1823675 0.0316593 0.1719584 -1.0405694 39 F -1.2121626 0.0526661 0.0507952 0.0190325 -1.0973397 0.1823675 0.0316593 0.1719584 -1.0405694 40 F -1.2121626 -0.0526661 -0.0507952 -0.0190325 -1.0973397 0.1823675 -0.0316593 0.1719584 -1.0405694 ---------------------------------------------------------------------------- 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: 1922 Number of blocks in projector: 1922 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: 464 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (1922, 1875), data: False |-- (262, 255), data: True |-- (262, 255), data: True |-- (262, 255), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (464, 450), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 640 - Time: 0.520 Solver_block: 200 / 640 - Time: 0.459 Solver_block: 300 / 640 - Time: 0.450 Solver_block: 400 / 640 - Time: 0.451 Solver_block: 500 / 640 - Time: 0.449 Solver_block: 600 / 640 - Time: 0.449 Solver_block: 640 / 640 - Time: 0.250 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.082 --------------------------------- 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: 1922 Number of blocks in projector: 1922 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: 464 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (1922, 1875), data: False |-- (262, 255), data: True |-- (262, 255), data: True |-- (262, 255), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (464, 450), 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 2026-01-08 14:10:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:10:14]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.284834260000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.746868790000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.720670500000001 Atomic positions (fractional): 1 Mg 0.86715501618035 0.43006321284304 0.99069561587058 24.305 2 Mg 0.59324739777020 0.25000000000000 0.99385566404035 24.305 3 Mg 0.36715501618035 0.06993678715696 0.50930438412942 24.305 4 Mg 0.86715501618035 0.06993678715696 0.99069561587058 24.305 5 Mg 0.40675260222979 0.75000000000000 0.00614433595965 24.305 6 Mg 0.09324739777021 0.25000000000000 0.50614433595965 24.305 7 Mg 0.13284498381965 0.93006321284304 0.00930438412942 24.305 8 Mg 0.36715501618035 0.43006321284304 0.50930438412942 24.305 9 Mg 0.90675260222980 0.75000000000000 0.49385566404035 24.305 10 Mg 0.13284498381965 0.56993678715696 0.00930438412942 24.305 11 Mg 0.63284498381965 0.56993678715696 0.49069561587058 24.305 12 Mg 0.63284498381965 0.93006321284304 0.49069561587058 24.305 13 Si 0.27992067901118 0.25000000000000 0.07956348805560 28.085 14 Si 0.77992067901118 0.25000000000000 0.42043651194440 28.085 15 Si 0.72007932098882 0.75000000000000 0.92043651194440 28.085 16 Si 0.22007932098882 0.75000000000000 0.57956348805560 28.085 17 O 0.29183571802710 0.89733627212498 0.73279539422612 15.999 18 O 0.70816428197290 0.10266372787502 0.26720460577388 15.999 19 O 0.22141311552398 0.75000000000000 0.23547366540261 15.999 20 O 0.57381931708976 0.75000000000000 0.77748993684078 15.999 21 O 0.92618068291024 0.25000000000000 0.27748993684078 15.999 22 O 0.07381931708976 0.75000000000000 0.72251006315922 15.999 23 O 0.79183571802710 0.89733627212498 0.76720460577388 15.999 24 O 0.77858688447602 0.25000000000000 0.76452633459739 15.999 25 O 0.70816428197290 0.39733627212498 0.26720460577388 15.999 26 O 0.29183571802710 0.60266372787502 0.73279539422612 15.999 27 O 0.72141311552398 0.75000000000000 0.26452633459739 15.999 28 O 0.20816428197290 0.10266372787502 0.23279539422612 15.999 29 O 0.42618068291024 0.25000000000000 0.22251006315922 15.999 30 O 0.79183571802710 0.60266372787502 0.76720460577388 15.999 31 O 0.27858688447602 0.25000000000000 0.73547366540261 15.999 32 O 0.20816428197290 0.39733627212498 0.23279539422612 15.999 33 F 0.46688630511325 0.91522030408399 0.27340124642059 18.998 34 F 0.96688630511325 0.58477969591601 0.22659875357941 18.998 35 F 0.53311369488675 0.08477969591601 0.72659875357941 18.998 36 F 0.53311369488675 0.41522030408399 0.72659875357941 18.998 37 F 0.03311369488676 0.41522030408399 0.77340124642059 18.998 38 F 0.96688630511325 0.91522030408399 0.22659875357941 18.998 39 F 0.03311369488676 0.08477969591601 0.77340124642059 18.998 40 F 0.46688630511325 0.58477969591601 0.27340124642059 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.284834260000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.746868790000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.441341000000001 Atomic positions (fractional): 1 Mg 0.86715501618035 0.43006321284304 0.49534780793529 24.305 > 1 2 Mg 0.86715501618035 0.43006321284304 0.99534780793529 24.305 > 1 3 Mg 0.59324739777020 0.25000000000000 0.49692783202018 24.305 > 3 4 Mg 0.59324739777020 0.25000000000000 0.99692783202018 24.305 > 3 5 Mg 0.36715501618035 0.06993678715696 0.25465219206471 24.305 > 5 6 Mg 0.36715501618035 0.06993678715696 0.75465219206471 24.305 > 5 7 Mg 0.86715501618035 0.06993678715696 0.49534780793529 24.305 > 7 8 Mg 0.86715501618035 0.06993678715696 0.99534780793529 24.305 > 7 9 Mg 0.40675260222979 0.75000000000000 0.00307216797982 24.305 > 9 10 Mg 0.40675260222979 0.75000000000000 0.50307216797982 24.305 > 9 11 Mg 0.09324739777021 0.25000000000000 0.25307216797982 24.305 > 11 12 Mg 0.09324739777021 0.25000000000000 0.75307216797982 24.305 > 11 13 Mg 0.13284498381965 0.93006321284304 0.00465219206471 24.305 > 13 14 Mg 0.13284498381965 0.93006321284304 0.50465219206471 24.305 > 13 15 Mg 0.36715501618035 0.43006321284304 0.25465219206471 24.305 > 15 16 Mg 0.36715501618035 0.43006321284304 0.75465219206471 24.305 > 15 17 Mg 0.90675260222980 0.75000000000000 0.24692783202018 24.305 > 17 18 Mg 0.90675260222980 0.75000000000000 0.74692783202018 24.305 > 17 19 Mg 0.13284498381965 0.56993678715696 0.00465219206471 24.305 > 19 20 Mg 0.13284498381965 0.56993678715696 0.50465219206471 24.305 > 19 21 Mg 0.63284498381965 0.56993678715696 0.24534780793529 24.305 > 21 22 Mg 0.63284498381965 0.56993678715696 0.74534780793529 24.305 > 21 23 Mg 0.63284498381965 0.93006321284304 0.24534780793529 24.305 > 23 24 Mg 0.63284498381965 0.93006321284304 0.74534780793529 24.305 > 23 25 Si 0.27992067901118 0.25000000000000 0.03978174402780 28.085 > 25 26 Si 0.27992067901118 0.25000000000000 0.53978174402780 28.085 > 25 27 Si 0.77992067901118 0.25000000000000 0.21021825597220 28.085 > 27 28 Si 0.77992067901118 0.25000000000000 0.71021825597220 28.085 > 27 29 Si 0.72007932098882 0.75000000000000 0.46021825597220 28.085 > 29 30 Si 0.72007932098882 0.75000000000000 0.96021825597220 28.085 > 29 31 Si 0.22007932098882 0.75000000000000 0.28978174402780 28.085 > 31 32 Si 0.22007932098882 0.75000000000000 0.78978174402780 28.085 > 31 33 O 0.29183571802710 0.89733627212498 0.36639769711306 15.999 > 33 34 O 0.29183571802710 0.89733627212498 0.86639769711306 15.999 > 33 35 O 0.70816428197290 0.10266372787502 0.13360230288694 15.999 > 35 36 O 0.70816428197290 0.10266372787502 0.63360230288694 15.999 > 35 37 O 0.22141311552398 0.75000000000000 0.11773683270130 15.999 > 37 38 O 0.22141311552398 0.75000000000000 0.61773683270130 15.999 > 37 39 O 0.57381931708976 0.75000000000000 0.38874496842039 15.999 > 39 40 O 0.57381931708976 0.75000000000000 0.88874496842039 15.999 > 39 41 O 0.92618068291024 0.25000000000000 0.13874496842039 15.999 > 41 42 O 0.92618068291024 0.25000000000000 0.63874496842039 15.999 > 41 43 O 0.07381931708976 0.75000000000000 0.36125503157961 15.999 > 43 44 O 0.07381931708976 0.75000000000000 0.86125503157961 15.999 > 43 45 O 0.79183571802710 0.89733627212498 0.38360230288694 15.999 > 45 46 O 0.79183571802710 0.89733627212498 0.88360230288694 15.999 > 45 47 O 0.77858688447602 0.25000000000000 0.38226316729870 15.999 > 47 48 O 0.77858688447602 0.25000000000000 0.88226316729870 15.999 > 47 49 O 0.70816428197290 0.39733627212498 0.13360230288694 15.999 > 49 50 O 0.70816428197290 0.39733627212498 0.63360230288694 15.999 > 49 51 O 0.29183571802710 0.60266372787502 0.36639769711306 15.999 > 51 52 O 0.29183571802710 0.60266372787502 0.86639769711306 15.999 > 51 53 O 0.72141311552398 0.75000000000000 0.13226316729870 15.999 > 53 54 O 0.72141311552398 0.75000000000000 0.63226316729870 15.999 > 53 55 O 0.20816428197290 0.10266372787502 0.11639769711306 15.999 > 55 56 O 0.20816428197290 0.10266372787502 0.61639769711306 15.999 > 55 57 O 0.42618068291024 0.25000000000000 0.11125503157961 15.999 > 57 58 O 0.42618068291024 0.25000000000000 0.61125503157961 15.999 > 57 59 O 0.79183571802710 0.60266372787502 0.38360230288694 15.999 > 59 60 O 0.79183571802710 0.60266372787502 0.88360230288694 15.999 > 59 61 O 0.27858688447602 0.25000000000000 0.36773683270130 15.999 > 61 62 O 0.27858688447602 0.25000000000000 0.86773683270130 15.999 > 61 63 O 0.20816428197290 0.39733627212498 0.11639769711306 15.999 > 63 64 O 0.20816428197290 0.39733627212498 0.61639769711306 15.999 > 63 65 F 0.46688630511325 0.91522030408399 0.13670062321029 18.998 > 65 66 F 0.46688630511325 0.91522030408399 0.63670062321029 18.998 > 65 67 F 0.96688630511325 0.58477969591601 0.11329937678971 18.998 > 67 68 F 0.96688630511325 0.58477969591601 0.61329937678971 18.998 > 67 69 F 0.53311369488675 0.08477969591601 0.36329937678971 18.998 > 69 70 F 0.53311369488675 0.08477969591601 0.86329937678971 18.998 > 69 71 F 0.53311369488675 0.41522030408399 0.36329937678971 18.998 > 71 72 F 0.53311369488675 0.41522030408399 0.86329937678971 18.998 > 71 73 F 0.03311369488676 0.41522030408399 0.38670062321029 18.998 > 73 74 F 0.03311369488676 0.41522030408399 0.88670062321029 18.998 > 73 75 F 0.96688630511325 0.91522030408399 0.11329937678971 18.998 > 75 76 F 0.96688630511325 0.91522030408399 0.61329937678971 18.998 > 75 77 F 0.03311369488676 0.08477969591601 0.38670062321029 18.998 > 77 78 F 0.03311369488676 0.08477969591601 0.88670062321029 18.998 > 77 79 F 0.46688630511325 0.58477969591601 0.13670062321029 18.998 > 79 80 F 0.46688630511325 0.58477969591601 0.63670062321029 18.998 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5641139 0.0000000 0.0000000 0.0000000 2.5807619 0.0000000 0.0000000 0.0000000 2.6551539 -------------------------- Born effective charges -------------------------- 1 Mg 1.9193263 0.0754901 -0.0043181 0.0612600 2.1437726 -0.1243650 0.0266601 -0.0191909 2.0058682 2 Mg 2.3090567 0.0000000 0.0269324 0.0000000 1.8218251 -0.0000000 -0.0069447 -0.0000000 2.1145828 3 Mg 1.9193263 -0.0754901 0.0043181 -0.0612600 2.1437726 -0.1243650 -0.0266601 -0.0191909 2.0058682 4 Mg 1.9193263 -0.0754901 -0.0043181 -0.0612600 2.1437726 0.1243650 0.0266601 0.0191909 2.0058682 5 Mg 2.3090567 0.0000000 0.0269324 0.0000000 1.8218251 -0.0000000 -0.0069447 -0.0000000 2.1145828 6 Mg 2.3090567 0.0000000 -0.0269324 0.0000000 1.8218251 -0.0000000 0.0069447 -0.0000000 2.1145828 7 Mg 1.9193263 -0.0754901 -0.0043181 -0.0612600 2.1437726 0.1243650 0.0266601 0.0191909 2.0058682 8 Mg 1.9193263 0.0754901 0.0043181 0.0612600 2.1437726 0.1243650 -0.0266601 0.0191909 2.0058682 9 Mg 2.3090567 0.0000000 -0.0269324 0.0000000 1.8218251 -0.0000000 0.0069447 -0.0000000 2.1145828 10 Mg 1.9193263 0.0754901 -0.0043181 0.0612600 2.1437726 -0.1243650 0.0266601 -0.0191909 2.0058682 11 Mg 1.9193263 0.0754901 0.0043181 0.0612600 2.1437726 0.1243650 -0.0266601 0.0191909 2.0058682 12 Mg 1.9193263 -0.0754901 0.0043181 -0.0612600 2.1437726 -0.1243650 -0.0266601 -0.0191909 2.0058682 13 Si 2.6024597 0.0000000 0.0278667 0.0000000 2.6637595 -0.0000000 -0.0215334 -0.0000000 3.0862405 14 Si 2.6024597 0.0000000 -0.0278667 0.0000000 2.6637595 -0.0000000 0.0215334 -0.0000000 3.0862405 15 Si 2.6024597 0.0000000 0.0278667 0.0000000 2.6637595 -0.0000000 -0.0215334 -0.0000000 3.0862405 16 Si 2.6024597 0.0000000 -0.0278667 0.0000000 2.6637595 -0.0000000 0.0215334 -0.0000000 3.0862405 17 O -1.4935875 -0.2446475 -0.0557135 -0.2299670 -1.9246362 -0.1261768 -0.0383783 -0.0667006 -1.5977157 18 O -1.4935875 -0.2446475 -0.0557135 -0.2299670 -1.9246362 -0.1261768 -0.0383783 -0.0667006 -1.5977157 19 O -1.3146891 0.0000000 0.0039955 0.0000000 -1.4164793 -0.0000000 -0.0156698 -0.0000000 -2.3673493 20 O -2.0239796 0.0000000 -0.1187265 0.0000000 -1.3126985 -0.0000000 -0.0462957 -0.0000000 -1.5686403 21 O -2.0239796 0.0000000 0.1187265 0.0000000 -1.3126985 -0.0000000 0.0462957 -0.0000000 -1.5686403 22 O -2.0239796 0.0000000 0.1187265 0.0000000 -1.3126985 -0.0000000 0.0462957 -0.0000000 -1.5686403 23 O -1.4935875 -0.2446475 0.0557135 -0.2299670 -1.9246362 0.1261768 0.0383783 0.0667006 -1.5977157 24 O -1.3146891 0.0000000 0.0039955 0.0000000 -1.4164793 -0.0000000 -0.0156698 -0.0000000 -2.3673493 25 O -1.4935875 0.2446475 -0.0557135 0.2299670 -1.9246362 0.1261768 -0.0383783 0.0667006 -1.5977157 26 O -1.4935875 0.2446475 -0.0557135 0.2299670 -1.9246362 0.1261768 -0.0383783 0.0667006 -1.5977157 27 O -1.3146891 0.0000000 -0.0039955 0.0000000 -1.4164793 -0.0000000 0.0156698 -0.0000000 -2.3673493 28 O -1.4935875 -0.2446475 0.0557135 -0.2299670 -1.9246362 0.1261768 0.0383783 0.0667006 -1.5977157 29 O -2.0239796 0.0000000 -0.1187265 0.0000000 -1.3126985 -0.0000000 -0.0462957 -0.0000000 -1.5686403 30 O -1.4935875 0.2446475 0.0557135 0.2299670 -1.9246362 -0.1261768 0.0383783 -0.0667006 -1.5977157 31 O -1.3146891 0.0000000 -0.0039955 0.0000000 -1.4164793 -0.0000000 0.0156698 -0.0000000 -2.3673493 32 O -1.4935875 0.2446475 0.0557135 0.2299670 -1.9246362 -0.1261768 0.0383783 -0.0667006 -1.5977157 33 F -1.2121626 0.0526661 -0.0507952 0.0190325 -1.0973397 -0.1823675 -0.0316593 -0.1719584 -1.0405694 34 F -1.2121626 -0.0526661 0.0507952 -0.0190325 -1.0973397 -0.1823675 0.0316593 -0.1719584 -1.0405694 35 F -1.2121626 0.0526661 -0.0507952 0.0190325 -1.0973397 -0.1823675 -0.0316593 -0.1719584 -1.0405694 36 F -1.2121626 -0.0526661 -0.0507952 -0.0190325 -1.0973397 0.1823675 -0.0316593 0.1719584 -1.0405694 37 F -1.2121626 -0.0526661 0.0507952 -0.0190325 -1.0973397 -0.1823675 0.0316593 -0.1719584 -1.0405694 38 F -1.2121626 0.0526661 0.0507952 0.0190325 -1.0973397 0.1823675 0.0316593 0.1719584 -1.0405694 39 F -1.2121626 0.0526661 0.0507952 0.0190325 -1.0973397 0.1823675 0.0316593 0.1719584 -1.0405694 40 F -1.2121626 -0.0526661 -0.0507952 -0.0190325 -1.0973397 0.1823675 -0.0316593 0.1719584 -1.0405694 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zxz) 0.00000002 (zxz) 0.00000002 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:10:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:10:36]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.284834260000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.746868790000002 0.000000000000000 c 0.000000000000000 0.000000000000000 4.720670500000001 Atomic positions (fractional): 1 Mg 0.86715501618035 0.43006321284304 0.99069561587058 24.305 2 Mg 0.59324739777020 0.25000000000000 0.99385566404035 24.305 3 Mg 0.36715501618035 0.06993678715696 0.50930438412942 24.305 4 Mg 0.86715501618035 0.06993678715696 0.99069561587058 24.305 5 Mg 0.40675260222979 0.75000000000000 0.00614433595965 24.305 6 Mg 0.09324739777021 0.25000000000000 0.50614433595965 24.305 7 Mg 0.13284498381965 0.93006321284304 0.00930438412942 24.305 8 Mg 0.36715501618035 0.43006321284304 0.50930438412942 24.305 9 Mg 0.90675260222980 0.75000000000000 0.49385566404035 24.305 10 Mg 0.13284498381965 0.56993678715696 0.00930438412942 24.305 11 Mg 0.63284498381965 0.56993678715696 0.49069561587058 24.305 12 Mg 0.63284498381965 0.93006321284304 0.49069561587058 24.305 13 Si 0.27992067901118 0.25000000000000 0.07956348805560 28.085 14 Si 0.77992067901118 0.25000000000000 0.42043651194440 28.085 15 Si 0.72007932098882 0.75000000000000 0.92043651194440 28.085 16 Si 0.22007932098882 0.75000000000000 0.57956348805560 28.085 17 O 0.29183571802710 0.89733627212498 0.73279539422612 15.999 18 O 0.70816428197290 0.10266372787502 0.26720460577388 15.999 19 O 0.22141311552398 0.75000000000000 0.23547366540261 15.999 20 O 0.57381931708976 0.75000000000000 0.77748993684078 15.999 21 O 0.92618068291024 0.25000000000000 0.27748993684078 15.999 22 O 0.07381931708976 0.75000000000000 0.72251006315922 15.999 23 O 0.79183571802710 0.89733627212498 0.76720460577388 15.999 24 O 0.77858688447602 0.25000000000000 0.76452633459739 15.999 25 O 0.70816428197290 0.39733627212498 0.26720460577388 15.999 26 O 0.29183571802710 0.60266372787502 0.73279539422612 15.999 27 O 0.72141311552398 0.75000000000000 0.26452633459739 15.999 28 O 0.20816428197290 0.10266372787502 0.23279539422612 15.999 29 O 0.42618068291024 0.25000000000000 0.22251006315922 15.999 30 O 0.79183571802710 0.60266372787502 0.76720460577388 15.999 31 O 0.27858688447602 0.25000000000000 0.73547366540261 15.999 32 O 0.20816428197290 0.39733627212498 0.23279539422612 15.999 33 F 0.46688630511325 0.91522030408399 0.27340124642059 18.998 34 F 0.96688630511325 0.58477969591601 0.22659875357941 18.998 35 F 0.53311369488675 0.08477969591601 0.72659875357941 18.998 36 F 0.53311369488675 0.41522030408399 0.72659875357941 18.998 37 F 0.03311369488676 0.41522030408399 0.77340124642059 18.998 38 F 0.96688630511325 0.91522030408399 0.22659875357941 18.998 39 F 0.03311369488676 0.08477969591601 0.77340124642059 18.998 40 F 0.46688630511325 0.58477969591601 0.27340124642059 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.284834260000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.746868790000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.441341000000001 Atomic positions (fractional): 1 Mg 0.86715501618035 0.43006321284304 0.49534780793529 24.305 > 1 2 Mg 0.86715501618035 0.43006321284304 0.99534780793529 24.305 > 1 3 Mg 0.59324739777020 0.25000000000000 0.49692783202018 24.305 > 3 4 Mg 0.59324739777020 0.25000000000000 0.99692783202018 24.305 > 3 5 Mg 0.36715501618035 0.06993678715696 0.25465219206471 24.305 > 5 6 Mg 0.36715501618035 0.06993678715696 0.75465219206471 24.305 > 5 7 Mg 0.86715501618035 0.06993678715696 0.49534780793529 24.305 > 7 8 Mg 0.86715501618035 0.06993678715696 0.99534780793529 24.305 > 7 9 Mg 0.40675260222979 0.75000000000000 0.00307216797982 24.305 > 9 10 Mg 0.40675260222979 0.75000000000000 0.50307216797982 24.305 > 9 11 Mg 0.09324739777021 0.25000000000000 0.25307216797982 24.305 > 11 12 Mg 0.09324739777021 0.25000000000000 0.75307216797982 24.305 > 11 13 Mg 0.13284498381965 0.93006321284304 0.00465219206471 24.305 > 13 14 Mg 0.13284498381965 0.93006321284304 0.50465219206471 24.305 > 13 15 Mg 0.36715501618035 0.43006321284304 0.25465219206471 24.305 > 15 16 Mg 0.36715501618035 0.43006321284304 0.75465219206471 24.305 > 15 17 Mg 0.90675260222980 0.75000000000000 0.24692783202018 24.305 > 17 18 Mg 0.90675260222980 0.75000000000000 0.74692783202018 24.305 > 17 19 Mg 0.13284498381965 0.56993678715696 0.00465219206471 24.305 > 19 20 Mg 0.13284498381965 0.56993678715696 0.50465219206471 24.305 > 19 21 Mg 0.63284498381965 0.56993678715696 0.24534780793529 24.305 > 21 22 Mg 0.63284498381965 0.56993678715696 0.74534780793529 24.305 > 21 23 Mg 0.63284498381965 0.93006321284304 0.24534780793529 24.305 > 23 24 Mg 0.63284498381965 0.93006321284304 0.74534780793529 24.305 > 23 25 Si 0.27992067901118 0.25000000000000 0.03978174402780 28.085 > 25 26 Si 0.27992067901118 0.25000000000000 0.53978174402780 28.085 > 25 27 Si 0.77992067901118 0.25000000000000 0.21021825597220 28.085 > 27 28 Si 0.77992067901118 0.25000000000000 0.71021825597220 28.085 > 27 29 Si 0.72007932098882 0.75000000000000 0.46021825597220 28.085 > 29 30 Si 0.72007932098882 0.75000000000000 0.96021825597220 28.085 > 29 31 Si 0.22007932098882 0.75000000000000 0.28978174402780 28.085 > 31 32 Si 0.22007932098882 0.75000000000000 0.78978174402780 28.085 > 31 33 O 0.29183571802710 0.89733627212498 0.36639769711306 15.999 > 33 34 O 0.29183571802710 0.89733627212498 0.86639769711306 15.999 > 33 35 O 0.70816428197290 0.10266372787502 0.13360230288694 15.999 > 35 36 O 0.70816428197290 0.10266372787502 0.63360230288694 15.999 > 35 37 O 0.22141311552398 0.75000000000000 0.11773683270130 15.999 > 37 38 O 0.22141311552398 0.75000000000000 0.61773683270130 15.999 > 37 39 O 0.57381931708976 0.75000000000000 0.38874496842039 15.999 > 39 40 O 0.57381931708976 0.75000000000000 0.88874496842039 15.999 > 39 41 O 0.92618068291024 0.25000000000000 0.13874496842039 15.999 > 41 42 O 0.92618068291024 0.25000000000000 0.63874496842039 15.999 > 41 43 O 0.07381931708976 0.75000000000000 0.36125503157961 15.999 > 43 44 O 0.07381931708976 0.75000000000000 0.86125503157961 15.999 > 43 45 O 0.79183571802710 0.89733627212498 0.38360230288694 15.999 > 45 46 O 0.79183571802710 0.89733627212498 0.88360230288694 15.999 > 45 47 O 0.77858688447602 0.25000000000000 0.38226316729870 15.999 > 47 48 O 0.77858688447602 0.25000000000000 0.88226316729870 15.999 > 47 49 O 0.70816428197290 0.39733627212498 0.13360230288694 15.999 > 49 50 O 0.70816428197290 0.39733627212498 0.63360230288694 15.999 > 49 51 O 0.29183571802710 0.60266372787502 0.36639769711306 15.999 > 51 52 O 0.29183571802710 0.60266372787502 0.86639769711306 15.999 > 51 53 O 0.72141311552398 0.75000000000000 0.13226316729870 15.999 > 53 54 O 0.72141311552398 0.75000000000000 0.63226316729870 15.999 > 53 55 O 0.20816428197290 0.10266372787502 0.11639769711306 15.999 > 55 56 O 0.20816428197290 0.10266372787502 0.61639769711306 15.999 > 55 57 O 0.42618068291024 0.25000000000000 0.11125503157961 15.999 > 57 58 O 0.42618068291024 0.25000000000000 0.61125503157961 15.999 > 57 59 O 0.79183571802710 0.60266372787502 0.38360230288694 15.999 > 59 60 O 0.79183571802710 0.60266372787502 0.88360230288694 15.999 > 59 61 O 0.27858688447602 0.25000000000000 0.36773683270130 15.999 > 61 62 O 0.27858688447602 0.25000000000000 0.86773683270130 15.999 > 61 63 O 0.20816428197290 0.39733627212498 0.11639769711306 15.999 > 63 64 O 0.20816428197290 0.39733627212498 0.61639769711306 15.999 > 63 65 F 0.46688630511325 0.91522030408399 0.13670062321029 18.998 > 65 66 F 0.46688630511325 0.91522030408399 0.63670062321029 18.998 > 65 67 F 0.96688630511325 0.58477969591601 0.11329937678971 18.998 > 67 68 F 0.96688630511325 0.58477969591601 0.61329937678971 18.998 > 67 69 F 0.53311369488675 0.08477969591601 0.36329937678971 18.998 > 69 70 F 0.53311369488675 0.08477969591601 0.86329937678971 18.998 > 69 71 F 0.53311369488675 0.41522030408399 0.36329937678971 18.998 > 71 72 F 0.53311369488675 0.41522030408399 0.86329937678971 18.998 > 71 73 F 0.03311369488676 0.41522030408399 0.38670062321029 18.998 > 73 74 F 0.03311369488676 0.41522030408399 0.88670062321029 18.998 > 73 75 F 0.96688630511325 0.91522030408399 0.11329937678971 18.998 > 75 76 F 0.96688630511325 0.91522030408399 0.61329937678971 18.998 > 75 77 F 0.03311369488676 0.08477969591601 0.38670062321029 18.998 > 77 78 F 0.03311369488676 0.08477969591601 0.88670062321029 18.998 > 77 79 F 0.46688630511325 0.58477969591601 0.13670062321029 18.998 > 79 80 F 0.46688630511325 0.58477969591601 0.63670062321029 18.998 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5641139 0.0000000 0.0000000 0.0000000 2.5807619 0.0000000 0.0000000 0.0000000 2.6551539 -------------------------- Born effective charges -------------------------- 1 Mg 1.9193263 0.0754901 -0.0043181 0.0612600 2.1437726 -0.1243650 0.0266601 -0.0191909 2.0058682 2 Mg 2.3090567 0.0000000 0.0269324 0.0000000 1.8218251 -0.0000000 -0.0069447 -0.0000000 2.1145828 3 Mg 1.9193263 -0.0754901 0.0043181 -0.0612600 2.1437726 -0.1243650 -0.0266601 -0.0191909 2.0058682 4 Mg 1.9193263 -0.0754901 -0.0043181 -0.0612600 2.1437726 0.1243650 0.0266601 0.0191909 2.0058682 5 Mg 2.3090567 0.0000000 0.0269324 0.0000000 1.8218251 -0.0000000 -0.0069447 -0.0000000 2.1145828 6 Mg 2.3090567 0.0000000 -0.0269324 0.0000000 1.8218251 -0.0000000 0.0069447 -0.0000000 2.1145828 7 Mg 1.9193263 -0.0754901 -0.0043181 -0.0612600 2.1437726 0.1243650 0.0266601 0.0191909 2.0058682 8 Mg 1.9193263 0.0754901 0.0043181 0.0612600 2.1437726 0.1243650 -0.0266601 0.0191909 2.0058682 9 Mg 2.3090567 0.0000000 -0.0269324 0.0000000 1.8218251 -0.0000000 0.0069447 -0.0000000 2.1145828 10 Mg 1.9193263 0.0754901 -0.0043181 0.0612600 2.1437726 -0.1243650 0.0266601 -0.0191909 2.0058682 11 Mg 1.9193263 0.0754901 0.0043181 0.0612600 2.1437726 0.1243650 -0.0266601 0.0191909 2.0058682 12 Mg 1.9193263 -0.0754901 0.0043181 -0.0612600 2.1437726 -0.1243650 -0.0266601 -0.0191909 2.0058682 13 Si 2.6024597 0.0000000 0.0278667 0.0000000 2.6637595 -0.0000000 -0.0215334 -0.0000000 3.0862405 14 Si 2.6024597 0.0000000 -0.0278667 0.0000000 2.6637595 -0.0000000 0.0215334 -0.0000000 3.0862405 15 Si 2.6024597 0.0000000 0.0278667 0.0000000 2.6637595 -0.0000000 -0.0215334 -0.0000000 3.0862405 16 Si 2.6024597 0.0000000 -0.0278667 0.0000000 2.6637595 -0.0000000 0.0215334 -0.0000000 3.0862405 17 O -1.4935875 -0.2446475 -0.0557135 -0.2299670 -1.9246362 -0.1261768 -0.0383783 -0.0667006 -1.5977157 18 O -1.4935875 -0.2446475 -0.0557135 -0.2299670 -1.9246362 -0.1261768 -0.0383783 -0.0667006 -1.5977157 19 O -1.3146891 0.0000000 0.0039955 0.0000000 -1.4164793 -0.0000000 -0.0156698 -0.0000000 -2.3673493 20 O -2.0239796 0.0000000 -0.1187265 0.0000000 -1.3126985 -0.0000000 -0.0462957 -0.0000000 -1.5686403 21 O -2.0239796 0.0000000 0.1187265 0.0000000 -1.3126985 -0.0000000 0.0462957 -0.0000000 -1.5686403 22 O -2.0239796 0.0000000 0.1187265 0.0000000 -1.3126985 -0.0000000 0.0462957 -0.0000000 -1.5686403 23 O -1.4935875 -0.2446475 0.0557135 -0.2299670 -1.9246362 0.1261768 0.0383783 0.0667006 -1.5977157 24 O -1.3146891 0.0000000 0.0039955 0.0000000 -1.4164793 -0.0000000 -0.0156698 -0.0000000 -2.3673493 25 O -1.4935875 0.2446475 -0.0557135 0.2299670 -1.9246362 0.1261768 -0.0383783 0.0667006 -1.5977157 26 O -1.4935875 0.2446475 -0.0557135 0.2299670 -1.9246362 0.1261768 -0.0383783 0.0667006 -1.5977157 27 O -1.3146891 0.0000000 -0.0039955 0.0000000 -1.4164793 -0.0000000 0.0156698 -0.0000000 -2.3673493 28 O -1.4935875 -0.2446475 0.0557135 -0.2299670 -1.9246362 0.1261768 0.0383783 0.0667006 -1.5977157 29 O -2.0239796 0.0000000 -0.1187265 0.0000000 -1.3126985 -0.0000000 -0.0462957 -0.0000000 -1.5686403 30 O -1.4935875 0.2446475 0.0557135 0.2299670 -1.9246362 -0.1261768 0.0383783 -0.0667006 -1.5977157 31 O -1.3146891 0.0000000 -0.0039955 0.0000000 -1.4164793 -0.0000000 0.0156698 -0.0000000 -2.3673493 32 O -1.4935875 0.2446475 0.0557135 0.2299670 -1.9246362 -0.1261768 0.0383783 -0.0667006 -1.5977157 33 F -1.2121626 0.0526661 -0.0507952 0.0190325 -1.0973397 -0.1823675 -0.0316593 -0.1719584 -1.0405694 34 F -1.2121626 -0.0526661 0.0507952 -0.0190325 -1.0973397 -0.1823675 0.0316593 -0.1719584 -1.0405694 35 F -1.2121626 0.0526661 -0.0507952 0.0190325 -1.0973397 -0.1823675 -0.0316593 -0.1719584 -1.0405694 36 F -1.2121626 -0.0526661 -0.0507952 -0.0190325 -1.0973397 0.1823675 -0.0316593 0.1719584 -1.0405694 37 F -1.2121626 -0.0526661 0.0507952 -0.0190325 -1.0973397 -0.1823675 0.0316593 -0.1719584 -1.0405694 38 F -1.2121626 0.0526661 0.0507952 0.0190325 -1.0973397 0.1823675 0.0316593 0.1719584 -1.0405694 39 F -1.2121626 0.0526661 0.0507952 0.0190325 -1.0973397 0.1823675 0.0316593 0.1719584 -1.0405694 40 F -1.2121626 -0.0526661 -0.0507952 -0.0190325 -1.0973397 0.1823675 -0.0316593 0.1719584 -1.0405694 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zxz) 0.00000002 (zxz) 0.00000002 (zzx) 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 ... [ 5 6 11 ] 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: 0.55, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 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 3.179 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.450 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.623 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 6.990 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.461 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.634 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 8.270 ( 0.000 0.000 0.000) 0.000 8.441 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.562 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 9.307 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 0.000) 0.000 9.386 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 0.000) 0.000 9.677 ( 0.000 0.000 0.000) 0.000 9.687 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 9.957 ( 0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 0.000) 0.000 10.229 ( 0.000 0.000 0.000) 0.000 10.391 ( 0.000 0.000 0.000) 0.000 10.400 ( 0.000 0.000 0.000) 0.000 10.430 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 10.839 ( 0.000 0.000 0.000) 0.000 10.869 ( 0.000 0.000 0.000) 0.000 10.931 ( 0.000 0.000 0.000) 0.000 10.973 ( 0.000 0.000 0.000) 0.000 11.161 ( 0.000 0.000 0.000) 0.000 11.473 ( 0.000 0.000 0.000) 0.000 11.508 ( 0.000 0.000 0.000) 0.000 11.510 ( 0.000 0.000 0.000) 0.000 11.683 ( 0.000 0.000 0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 11.818 ( 0.000 0.000 0.000) 0.000 12.115 ( 0.000 0.000 0.000) 0.000 12.197 ( 0.000 0.000 0.000) 0.000 12.230 ( 0.000 0.000 0.000) 0.000 12.269 ( 0.000 0.000 0.000) 0.000 12.284 ( 0.000 0.000 0.000) 0.000 12.508 ( 0.000 0.000 0.000) 0.000 12.597 ( 0.000 0.000 0.000) 0.000 12.744 ( 0.000 0.000 0.000) 0.000 12.794 ( 0.000 0.000 0.000) 0.000 12.796 ( 0.000 0.000 0.000) 0.000 12.842 ( 0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 0.000) 0.000 12.955 ( 0.000 0.000 0.000) 0.000 13.052 ( 0.000 0.000 0.000) 0.000 13.736 ( 0.000 0.000 0.000) 0.000 13.836 ( 0.000 0.000 0.000) 0.000 13.896 ( 0.000 0.000 0.000) 0.000 13.984 ( 0.000 0.000 0.000) 0.000 14.034 ( 0.000 0.000 0.000) 0.000 14.056 ( 0.000 0.000 0.000) 0.000 14.176 ( 0.000 0.000 0.000) 0.000 14.263 ( 0.000 0.000 0.000) 0.000 15.199 ( 0.000 0.000 0.000) 0.000 15.816 ( 0.000 0.000 0.000) 0.000 15.930 ( 0.000 0.000 0.000) 0.000 16.024 ( 0.000 0.000 0.000) 0.000 16.187 ( 0.000 0.000 0.000) 0.000 16.242 ( 0.000 0.000 0.000) 0.000 16.468 ( 0.000 0.000 0.000) 0.000 16.579 ( 0.000 0.000 0.000) 0.000 16.793 ( 0.000 0.000 0.000) 0.000 17.649 ( 0.000 0.000 0.000) 0.000 17.708 ( 0.000 0.000 0.000) 0.000 18.515 ( 0.000 0.000 0.000) 0.000 18.603 ( 0.000 0.000 0.000) 0.000 24.717 ( 0.000 0.000 0.000) 0.000 24.790 ( 0.000 0.000 0.000) 0.000 24.958 ( 0.000 0.000 0.000) 0.000 25.076 ( 0.000 0.000 0.000) 0.000 25.863 ( 0.000 0.000 0.000) 0.000 25.984 ( 0.000 0.000 0.000) 0.000 26.384 ( 0.000 0.000 0.000) 0.000 26.480 ( 0.000 0.000 0.000) 0.000 27.333 ( 0.000 0.000 0.000) 0.000 27.554 ( 0.000 0.000 0.000) 0.000 27.855 ( 0.000 0.000 0.000) 0.000 28.111 ( 0.000 0.000 0.000) 0.000 28.681 ( 0.000 0.000 0.000) 0.000 28.711 ( 0.000 0.000 0.000) 0.000 28.940 ( 0.000 0.000 0.000) 0.000 29.008 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 41.493 0.000 0.000) 41.493 0.891 ( 45.379 0.000 0.000) 45.379 1.555 ( 78.720 0.000 0.000) 78.720 2.914 ( -24.485 0.000 0.000) 24.485 3.251 ( -29.013 0.000 0.000) 29.013 4.491 ( 2.221 0.000 0.000) 2.221 4.589 ( 1.892 0.000 0.000) 1.892 4.736 ( 4.094 0.000 0.000) 4.094 4.773 ( 9.020 0.000 0.000) 9.020 4.885 ( -6.626 0.000 0.000) 6.626 5.077 ( -4.489 0.000 0.000) 4.489 5.092 ( -10.204 0.000 0.000) 10.204 5.138 ( -0.050 0.000 0.000) 0.050 5.193 ( 17.856 0.000 0.000) 17.856 5.319 ( 1.537 0.000 0.000) 1.537 5.585 ( -44.920 0.000 0.000) 44.920 5.593 ( -19.475 0.000 0.000) 19.475 5.904 ( -14.200 0.000 0.000) 14.200 6.204 ( -13.610 0.000 0.000) 13.610 6.229 ( 27.681 0.000 0.000) 27.681 6.418 ( 14.388 0.000 0.000) 14.388 6.660 ( -1.092 0.000 0.000) 1.092 6.774 ( 6.494 0.000 0.000) 6.494 6.851 ( 12.333 0.000 0.000) 12.333 6.955 ( -2.885 0.000 0.000) 2.885 7.035 ( 9.068 0.000 0.000) 9.068 7.267 ( 17.794 0.000 0.000) 17.794 7.457 ( -10.637 0.000 0.000) 10.637 7.488 ( 4.003 0.000 0.000) 4.003 7.558 ( 4.827 0.000 0.000) 4.827 7.601 ( 24.433 0.000 0.000) 24.433 7.849 ( -10.849 0.000 0.000) 10.849 7.860 ( 4.216 0.000 0.000) 4.216 7.941 ( 2.392 0.000 0.000) 2.392 8.150 ( -10.650 0.000 0.000) 10.650 8.261 ( 0.465 0.000 0.000) 0.465 8.326 ( -10.798 0.000 0.000) 10.798 8.492 ( -3.172 0.000 0.000) 3.172 8.588 ( -7.461 0.000 0.000) 7.461 8.778 ( 0.085 0.000 0.000) 0.085 8.798 ( -2.194 0.000 0.000) 2.194 8.862 ( 22.170 0.000 0.000) 22.170 9.138 ( -12.668 0.000 0.000) 12.668 9.228 ( 5.641 0.000 0.000) 5.641 9.295 ( -8.607 0.000 0.000) 8.607 9.427 ( -19.543 0.000 0.000) 19.543 9.699 ( -1.866 0.000 0.000) 1.866 9.717 ( -7.424 0.000 0.000) 7.424 9.798 ( 8.094 0.000 0.000) 8.094 10.001 ( 4.916 0.000 0.000) 4.916 10.011 ( -2.065 0.000 0.000) 2.065 10.141 ( -5.199 0.000 0.000) 5.199 10.201 ( 1.405 0.000 0.000) 1.405 10.459 ( 0.826 0.000 0.000) 0.826 10.480 ( 10.658 0.000 0.000) 10.658 10.490 ( 6.986 0.000 0.000) 6.986 10.673 ( -3.989 0.000 0.000) 3.989 10.747 ( -13.589 0.000 0.000) 13.589 10.831 ( -1.028 0.000 0.000) 1.028 10.860 ( 4.420 0.000 0.000) 4.420 10.903 ( 2.920 0.000 0.000) 2.920 11.127 ( 7.682 0.000 0.000) 7.682 11.292 ( 8.929 0.000 0.000) 8.929 11.428 ( -3.145 0.000 0.000) 3.145 11.519 ( -10.349 0.000 0.000) 10.349 11.536 ( 1.288 0.000 0.000) 1.288 11.654 ( -0.830 0.000 0.000) 0.830 11.855 ( 4.136 0.000 0.000) 4.136 12.020 ( -6.647 0.000 0.000) 6.647 12.096 ( -1.617 0.000 0.000) 1.617 12.164 ( -2.983 0.000 0.000) 2.983 12.244 ( 0.510 0.000 0.000) 0.510 12.300 ( 3.077 0.000 0.000) 3.077 12.517 ( -5.592 0.000 0.000) 5.592 12.539 ( 18.235 0.000 0.000) 18.235 12.607 ( -8.897 0.000 0.000) 8.897 12.692 ( -6.466 0.000 0.000) 6.466 12.841 ( -0.146 0.000 0.000) 0.146 12.847 ( 3.279 0.000 0.000) 3.279 12.927 ( 4.819 0.000 0.000) 4.819 12.943 ( -0.528 0.000 0.000) 0.528 13.226 ( 16.316 0.000 0.000) 16.316 13.665 ( -7.180 0.000 0.000) 7.180 13.844 ( 0.615 0.000 0.000) 0.615 13.889 ( -0.664 0.000 0.000) 0.664 13.965 ( -0.318 0.000 0.000) 0.318 13.979 ( -0.420 0.000 0.000) 0.420 14.049 ( 1.469 0.000 0.000) 1.469 14.082 ( -0.103 0.000 0.000) 0.103 14.163 ( -1.354 0.000 0.000) 1.354 15.219 ( 1.957 0.000 0.000) 1.957 15.380 ( -3.606 0.000 0.000) 3.606 15.810 ( -0.457 0.000 0.000) 0.457 15.920 ( -0.210 0.000 0.000) 0.210 15.940 ( -5.711 0.000 0.000) 5.711 16.274 ( 6.119 0.000 0.000) 6.119 16.401 ( -13.046 0.000 0.000) 13.046 16.466 ( -0.419 0.000 0.000) 0.419 16.925 ( 8.510 0.000 0.000) 8.510 17.147 ( -0.028 0.000 0.000) 0.028 17.663 ( 1.242 0.000 0.000) 1.242 17.707 ( -0.100 0.000 0.000) 0.100 18.520 ( 0.508 0.000 0.000) 0.508 18.600 ( -1.448 0.000 0.000) 1.448 24.726 ( 0.790 0.000 0.000) 0.790 24.783 ( -0.694 0.000 0.000) 0.694 25.005 ( 0.937 0.000 0.000) 0.937 25.071 ( -0.527 0.000 0.000) 0.527 25.872 ( 0.941 0.000 0.000) 0.941 25.969 ( -1.411 0.000 0.000) 1.411 26.489 ( 10.435 0.000 0.000) 10.435 27.382 ( 4.917 0.000 0.000) 4.917 27.410 ( -13.057 0.000 0.000) 13.057 27.804 ( -5.056 0.000 0.000) 5.056 28.198 ( 7.336 0.000 0.000) 7.336 28.597 ( -4.552 0.000 0.000) 4.552 28.708 ( 1.145 0.000 0.000) 1.145 28.713 ( 0.247 0.000 0.000) 0.247 28.949 ( 0.909 0.000 0.000) 0.909 29.032 ( -1.048 0.000 0.000) 1.048 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 39.153 0.000 0.000) 39.153 1.756 ( 43.377 0.000 0.000) 43.377 2.325 ( -34.557 0.000 0.000) 34.557 2.564 ( -38.914 0.000 0.000) 38.914 3.040 ( 72.491 0.000 0.000) 72.491 4.339 ( -56.881 0.000 0.000) 56.881 4.619 ( 3.033 0.000 0.000) 3.033 4.626 ( 10.532 0.000 0.000) 10.532 4.733 ( -7.991 0.000 0.000) 7.991 4.867 ( -13.597 0.000 0.000) 13.597 4.934 ( 7.816 0.000 0.000) 7.816 5.074 ( 6.850 0.000 0.000) 6.850 5.091 ( -6.208 0.000 0.000) 6.208 5.137 ( 7.047 0.000 0.000) 7.047 5.279 ( -10.429 0.000 0.000) 10.429 5.289 ( -8.652 0.000 0.000) 8.652 5.396 ( 7.659 0.000 0.000) 7.659 5.621 ( -14.105 0.000 0.000) 14.105 6.196 ( 13.151 0.000 0.000) 13.151 6.506 ( -14.331 0.000 0.000) 14.331 6.669 ( 10.757 0.000 0.000) 10.757 6.745 ( 14.953 0.000 0.000) 14.953 6.888 ( 4.721 0.000 0.000) 4.721 6.926 ( 7.750 0.000 0.000) 7.750 6.949 ( -1.117 0.000 0.000) 1.117 7.279 ( 14.623 0.000 0.000) 14.623 7.302 ( -15.227 0.000 0.000) 15.227 7.410 ( 2.806 0.000 0.000) 2.806 7.597 ( -0.203 0.000 0.000) 0.203 7.609 ( -3.031 0.000 0.000) 3.031 7.809 ( 17.175 0.000 0.000) 17.175 7.868 ( -8.232 0.000 0.000) 8.232 7.875 ( -10.412 0.000 0.000) 10.412 7.993 ( 4.093 0.000 0.000) 4.093 8.190 ( 24.660 0.000 0.000) 24.660 8.220 ( 4.460 0.000 0.000) 4.460 8.253 ( 0.711 0.000 0.000) 0.711 8.399 ( -3.790 0.000 0.000) 3.790 8.412 ( -11.090 0.000 0.000) 11.090 8.746 ( -1.180 0.000 0.000) 1.180 8.772 ( -1.992 0.000 0.000) 1.992 8.822 ( -30.332 0.000 0.000) 30.332 8.967 ( -0.730 0.000 0.000) 0.730 9.096 ( -10.529 0.000 0.000) 10.529 9.241 ( 14.172 0.000 0.000) 14.172 9.491 ( -11.869 0.000 0.000) 11.869 9.561 ( 17.331 0.000 0.000) 17.331 9.740 ( -0.010 0.000 0.000) 0.010 9.912 ( 3.835 0.000 0.000) 3.835 9.969 ( -2.321 0.000 0.000) 2.321 10.041 ( -4.018 0.000 0.000) 4.018 10.094 ( -9.009 0.000 0.000) 9.009 10.162 ( 11.214 0.000 0.000) 11.214 10.414 ( -13.945 0.000 0.000) 13.945 10.492 ( 2.756 0.000 0.000) 2.756 10.554 ( -3.299 0.000 0.000) 3.299 10.685 ( 6.567 0.000 0.000) 6.567 10.789 ( -3.571 0.000 0.000) 3.571 10.797 ( 13.386 0.000 0.000) 13.386 10.929 ( 0.264 0.000 0.000) 0.264 10.978 ( 5.009 0.000 0.000) 5.009 11.117 ( -7.303 0.000 0.000) 7.303 11.374 ( -1.785 0.000 0.000) 1.785 11.383 ( -3.213 0.000 0.000) 3.213 11.450 ( 6.484 0.000 0.000) 6.484 11.534 ( -1.988 0.000 0.000) 1.988 11.717 ( 6.225 0.000 0.000) 6.225 11.865 ( -8.539 0.000 0.000) 8.539 12.004 ( 11.088 0.000 0.000) 11.088 12.073 ( -0.181 0.000 0.000) 0.181 12.101 ( -2.855 0.000 0.000) 2.855 12.205 ( -6.475 0.000 0.000) 6.475 12.384 ( 5.134 0.000 0.000) 5.134 12.432 ( -1.988 0.000 0.000) 1.988 12.438 ( -5.679 0.000 0.000) 5.679 12.535 ( -8.392 0.000 0.000) 8.392 12.779 ( 5.482 0.000 0.000) 5.482 12.831 ( -1.094 0.000 0.000) 1.094 12.903 ( 2.322 0.000 0.000) 2.322 12.933 ( -0.804 0.000 0.000) 0.804 13.141 ( 16.599 0.000 0.000) 16.599 13.457 ( -14.138 0.000 0.000) 14.138 13.606 ( 20.731 0.000 0.000) 20.731 13.858 ( 0.778 0.000 0.000) 0.778 13.873 ( -0.835 0.000 0.000) 0.835 13.940 ( -8.299 0.000 0.000) 8.299 13.972 ( -0.200 0.000 0.000) 0.200 13.984 ( -4.752 0.000 0.000) 4.752 14.086 ( 2.129 0.000 0.000) 2.129 14.128 ( -2.091 0.000 0.000) 2.091 15.267 ( 2.666 0.000 0.000) 2.666 15.317 ( -2.647 0.000 0.000) 2.647 15.809 ( 0.717 0.000 0.000) 0.717 15.848 ( -3.427 0.000 0.000) 3.427 15.965 ( 5.710 0.000 0.000) 5.710 16.146 ( -12.205 0.000 0.000) 12.205 16.381 ( 4.480 0.000 0.000) 4.480 16.444 ( -2.047 0.000 0.000) 2.047 17.064 ( 5.402 0.000 0.000) 5.402 17.133 ( -1.847 0.000 0.000) 1.847 17.688 ( 1.054 0.000 0.000) 1.054 17.702 ( -0.450 0.000 0.000) 0.450 18.536 ( 1.226 0.000 0.000) 1.226 18.567 ( -1.807 0.000 0.000) 1.807 24.745 ( 1.069 0.000 0.000) 1.069 24.766 ( -1.036 0.000 0.000) 1.036 25.029 ( 1.417 0.000 0.000) 1.417 25.055 ( -1.150 0.000 0.000) 1.150 25.898 ( 1.701 0.000 0.000) 1.701 25.935 ( -1.982 0.000 0.000) 1.982 26.762 ( 16.722 0.000 0.000) 16.722 27.103 ( -17.527 0.000 0.000) 17.527 27.511 ( 7.942 0.000 0.000) 7.942 27.672 ( -8.036 0.000 0.000) 8.036 28.350 ( 7.753 0.000 0.000) 7.753 28.489 ( -6.430 0.000 0.000) 6.430 28.719 ( 0.250 0.000 0.000) 0.250 28.720 ( 0.189 0.000 0.000) 0.189 28.974 ( 1.525 0.000 0.000) 1.525 29.005 ( -1.610 0.000 0.000) 1.610 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 41.037 0.000) 41.037 0.890 ( 0.000 46.814 0.000) 46.814 1.493 ( 0.000 77.049 0.000) 77.049 3.476 ( 0.000 28.382 0.000) 28.382 3.592 ( 0.000 -3.005 0.000) 3.005 4.151 ( 0.000 -20.695 0.000) 20.695 4.237 ( 0.000 -32.649 0.000) 32.649 4.542 ( 0.000 -0.199 0.000) 0.199 4.786 ( 0.000 4.196 0.000) 4.196 4.901 ( 0.000 0.023 0.000) 0.023 5.061 ( 0.000 -8.591 0.000) 8.591 5.206 ( 0.000 6.105 0.000) 6.105 5.294 ( 0.000 18.093 0.000) 18.093 5.361 ( 0.000 11.181 0.000) 11.181 5.477 ( 0.000 11.569 0.000) 11.569 5.917 ( 0.000 3.309 0.000) 3.309 5.937 ( 0.000 -15.183 0.000) 15.183 5.944 ( 0.000 -21.810 0.000) 21.810 6.254 ( 0.000 14.475 0.000) 14.475 6.290 ( 0.000 6.754 0.000) 6.754 6.351 ( 0.000 -35.068 0.000) 35.068 6.494 ( 0.000 -0.084 0.000) 0.084 6.675 ( 0.000 5.470 0.000) 5.470 6.700 ( 0.000 -0.403 0.000) 0.403 6.711 ( 0.000 17.828 0.000) 17.828 6.937 ( 0.000 -4.542 0.000) 4.542 7.325 ( 0.000 0.981 0.000) 0.981 7.341 ( 0.000 9.819 0.000) 9.819 7.480 ( 0.000 -1.495 0.000) 1.495 7.636 ( 0.000 11.406 0.000) 11.406 7.691 ( 0.000 4.256 0.000) 4.256 7.809 ( 0.000 -1.381 0.000) 1.381 7.834 ( 0.000 -9.084 0.000) 9.084 7.935 ( 0.000 -3.737 0.000) 3.737 8.090 ( 0.000 -13.009 0.000) 13.009 8.209 ( 0.000 -2.162 0.000) 2.162 8.314 ( 0.000 -18.468 0.000) 18.468 8.535 ( 0.000 -4.870 0.000) 4.870 8.555 ( 0.000 6.102 0.000) 6.102 8.726 ( 0.000 -2.266 0.000) 2.266 8.764 ( 0.000 -0.071 0.000) 0.071 8.843 ( 0.000 5.609 0.000) 5.609 9.049 ( 0.000 -5.436 0.000) 5.436 9.192 ( 0.000 -5.594 0.000) 5.594 9.381 ( 0.000 -2.961 0.000) 2.961 9.401 ( 0.000 5.816 0.000) 5.816 9.662 ( 0.000 -2.814 0.000) 2.814 9.690 ( 0.000 2.236 0.000) 2.236 9.794 ( 0.000 -0.376 0.000) 0.376 9.920 ( 0.000 -9.450 0.000) 9.450 9.925 ( 0.000 6.312 0.000) 6.312 10.028 ( 0.000 10.669 0.000) 10.669 10.284 ( 0.000 3.804 0.000) 3.804 10.387 ( 0.000 -3.224 0.000) 3.224 10.440 ( 0.000 2.635 0.000) 2.635 10.442 ( 0.000 0.091 0.000) 0.091 10.692 ( 0.000 -0.941 0.000) 0.941 10.715 ( 0.000 -5.276 0.000) 5.276 10.799 ( 0.000 -3.929 0.000) 3.929 10.938 ( 0.000 7.487 0.000) 7.487 11.075 ( 0.000 1.235 0.000) 1.235 11.256 ( 0.000 8.576 0.000) 8.576 11.402 ( 0.000 -11.212 0.000) 11.212 11.439 ( 0.000 1.145 0.000) 1.145 11.449 ( 0.000 -5.425 0.000) 5.425 11.566 ( 0.000 -2.810 0.000) 2.810 11.792 ( 0.000 -2.718 0.000) 2.718 11.803 ( 0.000 7.933 0.000) 7.933 12.107 ( 0.000 3.172 0.000) 3.172 12.138 ( 0.000 -5.052 0.000) 5.052 12.169 ( 0.000 -7.839 0.000) 7.839 12.232 ( 0.000 1.761 0.000) 1.761 12.346 ( 0.000 5.894 0.000) 5.894 12.496 ( 0.000 -1.001 0.000) 1.001 12.696 ( 0.000 -4.311 0.000) 4.311 12.704 ( 0.000 -6.790 0.000) 6.790 12.768 ( 0.000 13.636 0.000) 13.636 12.779 ( 0.000 -1.008 0.000) 1.008 12.868 ( 0.000 -1.420 0.000) 1.420 12.885 ( 0.000 2.675 0.000) 2.675 12.934 ( 0.000 2.520 0.000) 2.520 12.950 ( 0.000 -0.086 0.000) 0.086 13.013 ( 0.000 -2.075 0.000) 2.075 13.699 ( 0.000 -4.744 0.000) 4.744 13.803 ( 0.000 -2.408 0.000) 2.408 13.852 ( 0.000 -2.289 0.000) 2.289 14.033 ( 0.000 -2.345 0.000) 2.345 14.127 ( 0.000 -4.717 0.000) 4.717 14.157 ( 0.000 15.625 0.000) 15.625 14.452 ( 0.000 16.780 0.000) 16.780 15.127 ( 0.000 -6.087 0.000) 6.087 15.642 ( 0.000 -2.620 0.000) 2.620 15.909 ( 0.000 -2.292 0.000) 2.292 16.088 ( 0.000 3.901 0.000) 3.901 16.134 ( 0.000 -4.907 0.000) 4.907 16.173 ( 0.000 -5.974 0.000) 5.974 16.515 ( 0.000 3.659 0.000) 3.659 16.559 ( 0.000 -0.508 0.000) 0.508 16.617 ( 0.000 -1.870 0.000) 1.870 16.812 ( 0.000 1.415 0.000) 1.415 17.743 ( 0.000 9.100 0.000) 9.100 17.765 ( 0.000 5.893 0.000) 5.893 18.466 ( 0.000 -5.051 0.000) 5.051 18.554 ( 0.000 -5.106 0.000) 5.106 24.738 ( 0.000 2.117 0.000) 2.117 24.810 ( 0.000 2.083 0.000) 2.083 24.947 ( 0.000 -1.182 0.000) 1.182 25.059 ( 0.000 -1.794 0.000) 1.794 26.108 ( 0.000 12.369 0.000) 12.369 26.387 ( 0.000 0.347 0.000) 0.347 26.470 ( 0.000 -0.994 0.000) 0.994 27.274 ( 0.000 -6.222 0.000) 6.222 27.576 ( 0.000 2.239 0.000) 2.239 27.882 ( 0.000 2.813 0.000) 2.813 28.053 ( 0.000 -5.841 0.000) 5.841 28.296 ( 0.000 -4.465 0.000) 4.465 28.715 ( 0.000 3.255 0.000) 3.255 28.721 ( 0.000 1.039 0.000) 1.039 28.913 ( 0.000 -2.596 0.000) 2.596 28.991 ( 0.000 -1.821 0.000) 1.821 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 32.141 33.109 0.000) 46.144 1.285 ( 33.950 30.902 0.000) 45.908 2.052 ( 53.477 50.806 0.000) 73.763 3.190 ( -25.408 25.705 0.000) 36.143 3.354 ( -25.400 9.428 0.000) 27.093 4.041 ( -2.006 -31.142 0.000) 31.206 4.321 ( 7.873 -31.388 0.000) 32.360 4.519 ( -9.095 -9.404 0.000) 13.082 4.794 ( 5.732 3.015 0.000) 6.477 5.057 ( 0.093 -4.442 0.000) 4.443 5.064 ( 0.606 3.517 0.000) 3.569 5.187 ( 0.084 8.444 0.000) 8.444 5.267 ( -5.986 9.193 0.000) 10.970 5.278 ( 2.292 11.190 0.000) 11.422 5.507 ( -2.335 15.472 0.000) 15.647 5.651 ( -11.045 -5.141 0.000) 12.183 5.754 ( -32.475 16.022 0.000) 36.212 5.897 ( -12.648 9.168 0.000) 15.622 6.199 ( 23.061 -3.301 0.000) 23.296 6.296 ( 7.374 -10.669 0.000) 12.969 6.433 ( -10.416 12.981 0.000) 16.643 6.585 ( 15.719 -24.900 0.000) 29.447 6.677 ( 0.592 1.353 0.000) 1.477 6.808 ( 9.834 -4.528 0.000) 10.826 6.838 ( 6.305 5.578 0.000) 8.418 6.872 ( -2.501 -6.325 0.000) 6.802 7.362 ( 8.831 -2.316 0.000) 9.129 7.544 ( -7.310 6.491 0.000) 9.776 7.550 ( 9.690 3.187 0.000) 10.200 7.580 ( 4.897 1.318 0.000) 5.071 7.724 ( 10.254 6.605 0.000) 12.197 7.769 ( 0.163 -7.422 0.000) 7.423 7.841 ( -8.605 -0.465 0.000) 8.618 7.860 ( 0.101 -10.275 0.000) 10.275 8.117 ( -6.523 0.185 0.000) 6.525 8.125 ( 2.210 -10.266 0.000) 10.501 8.293 ( -0.943 -15.465 0.000) 15.494 8.379 ( -17.109 -0.948 0.000) 17.135 8.600 ( -8.800 0.160 0.000) 8.801 8.654 ( -1.606 -13.460 0.000) 13.555 8.748 ( -2.908 -1.865 0.000) 3.455 8.815 ( 13.737 1.845 0.000) 13.860 9.151 ( 4.558 6.528 0.000) 7.962 9.265 ( -6.689 -1.292 0.000) 6.813 9.316 ( 3.628 3.642 0.000) 5.141 9.415 ( -13.653 0.140 0.000) 13.654 9.630 ( -2.268 -5.502 0.000) 5.951 9.699 ( 3.041 -1.801 0.000) 3.534 9.911 ( -0.625 4.163 0.000) 4.210 9.941 ( 9.093 3.109 0.000) 9.610 9.946 ( 5.484 -8.320 0.000) 9.965 10.105 ( 4.527 4.736 0.000) 6.551 10.241 ( -2.099 6.605 0.000) 6.931 10.447 ( -1.129 -2.411 0.000) 2.663 10.451 ( 6.249 -6.080 0.000) 8.719 10.492 ( 6.287 1.943 0.000) 6.581 10.646 ( -3.100 1.206 0.000) 3.326 10.741 ( 3.841 -5.137 0.000) 6.415 10.851 ( 2.481 -2.014 0.000) 3.195 10.869 ( -9.770 5.131 0.000) 11.036 11.175 ( 1.076 5.749 0.000) 5.849 11.175 ( -2.833 9.337 0.000) 9.757 11.345 ( 4.236 1.581 0.000) 4.522 11.360 ( -3.377 -11.956 0.000) 12.424 11.417 ( -2.491 1.346 0.000) 2.831 11.510 ( -6.838 -0.489 0.000) 6.855 11.791 ( -0.138 6.487 0.000) 6.489 11.818 ( 2.518 -2.888 0.000) 3.832 12.067 ( -7.264 -2.582 0.000) 7.709 12.109 ( 0.536 1.709 0.000) 1.791 12.119 ( -4.695 1.856 0.000) 5.048 12.213 ( 4.347 -4.388 0.000) 6.176 12.256 ( -3.509 3.096 0.000) 4.680 12.548 ( -1.180 -0.999 0.000) 1.546 12.620 ( 8.823 0.431 0.000) 8.833 12.679 ( -5.576 13.150 0.000) 14.284 12.710 ( -4.773 2.159 0.000) 5.239 12.835 ( 2.312 0.699 0.000) 2.416 12.873 ( 0.103 0.945 0.000) 0.951 12.918 ( 2.088 -1.922 0.000) 2.838 12.941 ( 1.526 0.591 0.000) 1.637 13.177 ( 14.075 -3.320 0.000) 14.462 13.452 ( 23.567 -24.864 0.000) 34.258 13.629 ( -6.989 -4.461 0.000) 8.291 13.822 ( 1.830 -2.036 0.000) 2.737 13.844 ( -0.469 -3.134 0.000) 3.169 14.024 ( -1.158 -2.399 0.000) 2.664 14.088 ( -3.394 -2.983 0.000) 4.518 14.166 ( 0.644 13.169 0.000) 13.184 14.385 ( -5.043 18.466 0.000) 19.143 15.150 ( 2.211 -5.882 0.000) 6.284 15.477 ( -12.063 1.123 0.000) 12.115 15.858 ( -2.718 0.107 0.000) 2.720 15.989 ( -5.528 2.337 0.000) 6.002 16.025 ( -3.511 8.490 0.000) 9.188 16.224 ( 3.818 -5.266 0.000) 6.505 16.421 ( -1.008 -2.063 0.000) 2.296 16.422 ( -9.565 3.859 0.000) 10.314 16.916 ( 7.066 -1.154 0.000) 7.159 16.950 ( 10.967 -12.621 0.000) 16.721 17.743 ( 0.356 8.545 0.000) 8.552 17.765 ( 0.032 6.043 0.000) 6.043 18.471 ( 0.524 -5.032 0.000) 5.059 18.547 ( -1.009 -5.266 0.000) 5.362 24.747 ( 0.835 2.171 0.000) 2.326 24.804 ( -0.642 2.139 0.000) 2.234 24.976 ( 1.996 -1.961 0.000) 2.798 25.054 ( -0.502 -1.772 0.000) 1.842 26.100 ( -0.706 12.948 0.000) 12.968 26.221 ( -11.684 19.314 0.000) 22.573 26.491 ( 10.296 0.226 0.000) 10.298 27.277 ( -2.428 -7.793 0.000) 8.162 27.487 ( -4.902 4.832 0.000) 6.883 27.818 ( -5.547 1.867 0.000) 5.853 28.129 ( 6.337 -7.041 0.000) 9.473 28.394 ( 2.266 -14.504 0.000) 14.680 28.723 ( 0.540 2.350 0.000) 2.411 28.723 ( 0.221 1.039 0.000) 1.062 28.921 ( 0.833 -2.645 0.000) 2.773 28.990 ( -0.472 -2.765 0.000) 2.805 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 34.298 28.480 0.000) 44.581 1.970 ( 38.713 21.254 0.000) 44.164 2.607 ( -32.959 25.319 0.000) 41.561 2.716 ( -36.874 15.497 0.000) 39.998 3.256 ( 64.061 23.620 0.000) 68.277 4.113 ( 7.728 -29.976 0.000) 30.957 4.264 ( -18.646 -18.181 0.000) 26.043 4.388 ( -23.070 -7.533 0.000) 24.268 4.686 ( -6.835 -15.467 0.000) 16.910 4.884 ( -13.040 -20.107 0.000) 23.965 5.047 ( 3.971 10.456 0.000) 11.184 5.128 ( 2.477 14.682 0.000) 14.890 5.154 ( -5.521 9.516 0.000) 11.001 5.225 ( -5.069 11.628 0.000) 12.684 5.355 ( 0.119 12.113 0.000) 12.113 5.448 ( -9.794 14.087 0.000) 17.157 5.667 ( 8.560 22.076 0.000) 23.677 5.835 ( -3.595 14.657 0.000) 15.092 6.233 ( 4.946 3.726 0.000) 6.193 6.443 ( -7.705 -5.472 0.000) 9.451 6.562 ( 10.331 -8.786 0.000) 13.562 6.724 ( -6.524 -9.117 0.000) 11.211 6.776 ( 15.203 -1.850 0.000) 15.315 6.915 ( 1.093 0.119 0.000) 1.099 6.981 ( 22.825 -19.958 0.000) 30.320 7.054 ( 10.056 2.436 0.000) 10.347 7.368 ( -11.928 -0.851 0.000) 11.958 7.424 ( -8.121 -0.242 0.000) 8.125 7.591 ( -6.430 -7.865 0.000) 10.159 7.632 ( -5.424 -4.224 0.000) 6.874 7.699 ( 3.469 -5.826 0.000) 6.780 7.729 ( -2.699 -5.546 0.000) 6.168 7.903 ( 2.511 1.905 0.000) 3.152 7.906 ( 4.970 -9.643 0.000) 10.849 8.165 ( 1.624 -5.166 0.000) 5.415 8.181 ( 2.017 -8.283 0.000) 8.525 8.184 ( 8.052 -8.315 0.000) 11.575 8.263 ( -0.306 -3.106 0.000) 3.121 8.435 ( -2.540 -3.172 0.000) 4.063 8.603 ( -4.584 -13.257 0.000) 14.027 8.697 ( -0.287 3.346 0.000) 3.358 8.895 ( -22.869 9.403 0.000) 24.726 9.008 ( 4.040 4.354 0.000) 5.939 9.111 ( -7.700 1.938 0.000) 7.940 9.297 ( 10.178 2.827 0.000) 10.564 9.506 ( -9.777 -1.244 0.000) 9.856 9.620 ( 13.683 6.828 0.000) 15.292 9.727 ( 1.633 2.407 0.000) 2.909 9.903 ( -0.237 -2.085 0.000) 2.098 9.964 ( -4.470 -4.744 0.000) 6.518 10.100 ( 2.614 7.683 0.000) 8.116 10.109 ( -1.381 4.728 0.000) 4.925 10.245 ( 7.877 4.611 0.000) 9.127 10.466 ( 3.131 -3.153 0.000) 4.444 10.484 ( -10.999 2.079 0.000) 11.194 10.535 ( -2.210 -4.666 0.000) 5.162 10.692 ( 2.182 4.917 0.000) 5.379 10.747 ( 9.792 -3.024 0.000) 10.248 10.770 ( -2.092 -0.431 0.000) 2.136 10.869 ( -1.722 -5.075 0.000) 5.359 11.125 ( 2.477 12.080 0.000) 12.332 11.214 ( -4.643 6.199 0.000) 7.745 11.337 ( -0.680 -3.505 0.000) 3.570 11.371 ( -3.818 -1.001 0.000) 3.947 11.402 ( 3.866 -7.677 0.000) 8.595 11.439 ( 0.888 -1.990 0.000) 2.179 11.819 ( 3.349 5.734 0.000) 6.640 11.902 ( 5.966 -6.641 0.000) 8.928 11.922 ( -6.881 4.316 0.000) 8.123 12.027 ( -6.061 -6.493 0.000) 8.882 12.136 ( 2.381 0.849 0.000) 2.528 12.197 ( -3.374 -0.075 0.000) 3.375 12.337 ( 8.370 -0.166 0.000) 8.372 12.491 ( 0.301 5.267 0.000) 5.276 12.524 ( -9.925 0.828 0.000) 9.959 12.564 ( -5.771 12.445 0.000) 13.718 12.825 ( 3.770 3.076 0.000) 4.866 12.853 ( -0.159 1.334 0.000) 1.344 12.902 ( 1.994 -0.121 0.000) 1.998 12.928 ( -0.568 -0.468 0.000) 0.736 13.116 ( 15.712 -2.880 0.000) 15.974 13.406 ( -8.624 -6.777 0.000) 10.968 13.497 ( 9.325 -5.414 0.000) 10.783 13.656 ( -1.613 -13.376 0.000) 13.473 13.878 ( 4.078 -1.358 0.000) 4.298 13.884 ( 5.269 -8.269 0.000) 9.805 13.978 ( -3.706 -2.685 0.000) 4.576 14.005 ( -5.052 -6.128 0.000) 7.941 14.190 ( 2.355 15.284 0.000) 15.465 14.275 ( -6.016 18.001 0.000) 18.980 15.208 ( 3.715 -4.988 0.000) 6.219 15.299 ( -6.220 -2.289 0.000) 6.628 15.846 ( 1.363 0.949 0.000) 1.661 15.898 ( -3.734 2.337 0.000) 4.405 16.027 ( 3.396 5.665 0.000) 6.605 16.155 ( -8.843 -0.573 0.000) 8.861 16.363 ( 2.342 1.261 0.000) 2.660 16.403 ( -1.388 -2.088 0.000) 2.507 17.027 ( 3.835 -3.944 0.000) 5.501 17.054 ( 1.319 -7.502 0.000) 7.617 17.755 ( 0.673 7.260 0.000) 7.291 17.764 ( -0.226 6.481 0.000) 6.484 18.488 ( 1.246 -4.989 0.000) 5.142 18.518 ( -1.738 -5.019 0.000) 5.312 24.767 ( 1.088 2.252 0.000) 2.501 24.787 ( -0.995 2.236 0.000) 2.447 25.011 ( 1.635 -1.745 0.000) 2.391 25.039 ( -1.132 -1.712 0.000) 2.052 26.087 ( -0.326 14.667 0.000) 14.671 26.101 ( -2.359 17.635 0.000) 17.792 26.758 ( 16.127 -0.543 0.000) 16.137 27.077 ( -15.520 -3.036 0.000) 15.815 27.527 ( 6.825 1.932 0.000) 7.093 27.681 ( -8.136 1.159 0.000) 8.218 28.257 ( 6.385 -9.410 0.000) 11.371 28.364 ( -4.199 -12.156 0.000) 12.860 28.728 ( 0.225 1.090 0.000) 1.113 28.730 ( 0.111 1.389 0.000) 1.393 28.943 ( 1.367 -2.778 0.000) 3.096 28.971 ( -1.330 -2.925 0.000) 3.213 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.000 41.794 0.000) 41.794 1.784 ( 0.000 46.912 0.000) 46.912 2.870 ( 0.000 52.456 0.000) 52.456 3.195 ( 0.000 -17.901 0.000) 17.901 3.513 ( 0.000 -42.027 0.000) 42.027 4.095 ( 0.000 31.281 0.000) 31.281 4.178 ( 0.000 17.504 0.000) 17.504 4.537 ( 0.000 -0.347 0.000) 0.347 4.871 ( 0.000 -6.362 0.000) 6.362 4.873 ( 0.000 3.837 0.000) 3.837 4.922 ( 0.000 -5.251 0.000) 5.251 5.148 ( 0.000 -25.671 0.000) 25.671 5.505 ( 0.000 -18.557 0.000) 18.557 5.523 ( 0.000 -0.096 0.000) 0.096 5.542 ( 0.000 7.626 0.000) 7.626 5.661 ( 0.000 5.144 0.000) 5.144 5.706 ( 0.000 -2.619 0.000) 2.619 5.766 ( 0.000 -14.104 0.000) 14.104 6.032 ( 0.000 10.379 0.000) 10.379 6.370 ( 0.000 -0.460 0.000) 0.460 6.528 ( 0.000 4.813 0.000) 4.813 6.575 ( 0.000 16.586 0.000) 16.586 6.731 ( 0.000 3.285 0.000) 3.285 6.849 ( 0.000 10.146 0.000) 10.146 6.864 ( 0.000 -2.053 0.000) 2.053 7.059 ( 0.000 18.331 0.000) 18.331 7.336 ( 0.000 -8.834 0.000) 8.834 7.357 ( 0.000 -18.496 0.000) 18.496 7.357 ( 0.000 1.969 0.000) 1.969 7.589 ( 0.000 -7.819 0.000) 7.819 7.643 ( 0.000 -8.053 0.000) 8.053 7.717 ( 0.000 -0.768 0.000) 0.768 7.813 ( 0.000 -1.044 0.000) 1.044 7.848 ( 0.000 -5.213 0.000) 5.213 7.858 ( 0.000 -8.953 0.000) 8.953 7.933 ( 0.000 -18.411 0.000) 18.411 8.324 ( 0.000 11.073 0.000) 11.073 8.380 ( 0.000 -7.226 0.000) 7.226 8.520 ( 0.000 -7.807 0.000) 7.807 8.653 ( 0.000 -5.435 0.000) 5.435 8.898 ( 0.000 14.259 0.000) 14.259 9.031 ( 0.000 13.463 0.000) 13.463 9.063 ( 0.000 5.320 0.000) 5.320 9.240 ( 0.000 6.667 0.000) 6.667 9.332 ( 0.000 -2.906 0.000) 2.906 9.489 ( 0.000 3.106 0.000) 3.106 9.590 ( 0.000 -4.267 0.000) 4.267 9.630 ( 0.000 -11.621 0.000) 11.621 9.760 ( 0.000 -5.653 0.000) 5.653 9.762 ( 0.000 7.638 0.000) 7.638 10.036 ( 0.000 -12.831 0.000) 12.831 10.166 ( 0.000 12.509 0.000) 12.509 10.301 ( 0.000 -3.739 0.000) 3.739 10.349 ( 0.000 3.422 0.000) 3.422 10.442 ( 0.000 0.369 0.000) 0.369 10.458 ( 0.000 -0.603 0.000) 0.603 10.655 ( 0.000 -2.464 0.000) 2.464 10.699 ( 0.000 -5.520 0.000) 5.520 10.797 ( 0.000 10.854 0.000) 10.854 10.999 ( 0.000 -5.889 0.000) 5.889 11.119 ( 0.000 8.861 0.000) 8.861 11.125 ( 0.000 -14.872 0.000) 14.872 11.269 ( 0.000 -7.051 0.000) 7.051 11.485 ( 0.000 -5.753 0.000) 5.753 11.511 ( 0.000 12.627 0.000) 12.627 11.528 ( 0.000 5.932 0.000) 5.932 11.721 ( 0.000 -4.393 0.000) 4.393 11.903 ( 0.000 3.444 0.000) 3.444 11.987 ( 0.000 -10.147 0.000) 10.147 12.046 ( 0.000 -4.851 0.000) 4.851 12.298 ( 0.000 4.832 0.000) 4.832 12.316 ( 0.000 16.705 0.000) 16.705 12.449 ( 0.000 1.886 0.000) 1.886 12.512 ( 0.000 4.353 0.000) 4.353 12.576 ( 0.000 -5.063 0.000) 5.063 12.601 ( 0.000 -5.179 0.000) 5.179 12.757 ( 0.000 -1.810 0.000) 1.810 12.799 ( 0.000 -5.552 0.000) 5.552 12.870 ( 0.000 -1.944 0.000) 1.944 12.896 ( 0.000 -2.327 0.000) 2.327 12.957 ( 0.000 0.587 0.000) 0.587 12.964 ( 0.000 0.735 0.000) 0.735 13.157 ( 0.000 14.892 0.000) 14.892 13.555 ( 0.000 -9.009 0.000) 9.009 13.767 ( 0.000 -0.489 0.000) 0.489 13.845 ( 0.000 1.488 0.000) 1.488 13.972 ( 0.000 -3.825 0.000) 3.825 14.001 ( 0.000 -8.611 0.000) 8.611 14.503 ( 0.000 18.969 0.000) 18.969 14.824 ( 0.000 21.029 0.000) 21.029 15.005 ( 0.000 -6.950 0.000) 6.950 15.520 ( 0.000 -11.466 0.000) 11.466 15.877 ( 0.000 0.415 0.000) 0.415 16.035 ( 0.000 -4.543 0.000) 4.543 16.048 ( 0.000 -6.638 0.000) 6.638 16.074 ( 0.000 -4.780 0.000) 4.780 16.576 ( 0.000 2.367 0.000) 2.367 16.599 ( 0.000 0.033 0.000) 0.033 16.624 ( 0.000 6.867 0.000) 6.867 16.820 ( 0.000 -1.156 0.000) 1.156 17.922 ( 0.000 10.126 0.000) 10.126 17.959 ( 0.000 12.702 0.000) 12.702 18.328 ( 0.000 -9.161 0.000) 9.161 18.413 ( 0.000 -9.475 0.000) 9.475 24.792 ( 0.000 3.340 0.000) 3.340 24.866 ( 0.000 3.560 0.000) 3.560 24.913 ( 0.000 -2.397 0.000) 2.397 25.010 ( 0.000 -3.270 0.000) 3.270 26.398 ( 0.000 0.812 0.000) 0.812 26.418 ( 0.000 18.974 0.000) 18.974 26.445 ( 0.000 -1.465 0.000) 1.465 27.091 ( 0.000 -13.038 0.000) 13.038 27.641 ( 0.000 4.686 0.000) 4.686 27.909 ( 0.000 -8.484 0.000) 8.484 27.958 ( 0.000 5.055 0.000) 5.055 28.190 ( 0.000 -6.248 0.000) 6.248 28.750 ( 0.000 1.988 0.000) 1.988 28.789 ( 0.000 4.239 0.000) 4.239 28.854 ( 0.000 -3.269 0.000) 3.269 28.941 ( 0.000 -3.266 0.000) 3.266 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 27.185 32.606 0.000) 42.452 1.994 ( 20.325 41.930 0.000) 46.596 3.103 ( 19.357 14.917 0.000) 24.438 3.330 ( 16.361 17.915 0.000) 24.262 3.614 ( 8.824 -37.390 0.000) 38.418 3.718 ( -27.648 21.572 0.000) 35.068 3.813 ( -27.650 15.868 0.000) 31.880 4.315 ( -22.280 -11.666 0.000) 25.150 4.765 ( -17.421 -22.740 0.000) 28.646 4.946 ( 12.638 12.915 0.000) 18.070 5.160 ( 10.965 4.655 0.000) 11.912 5.230 ( 8.173 -14.385 0.000) 16.545 5.451 ( -6.170 10.702 0.000) 12.354 5.462 ( 6.055 4.584 0.000) 7.595 5.631 ( -0.209 4.438 0.000) 4.443 5.799 ( -0.651 10.697 0.000) 10.717 5.816 ( 10.143 -11.074 0.000) 15.017 5.972 ( 19.175 -19.485 0.000) 27.338 6.076 ( -6.902 10.031 0.000) 12.176 6.143 ( 3.520 6.744 0.000) 7.607 6.425 ( -11.233 14.705 0.000) 18.504 6.684 ( 0.671 -7.005 0.000) 7.037 6.696 ( -1.716 0.873 0.000) 1.925 6.788 ( 1.986 -2.781 0.000) 3.418 6.792 ( -8.977 15.343 0.000) 17.776 6.964 ( -2.802 5.635 0.000) 6.293 7.297 ( 0.275 -5.309 0.000) 5.316 7.361 ( -4.136 -31.667 0.000) 31.935 7.490 ( 4.631 -5.886 0.000) 7.489 7.589 ( 4.174 -1.497 0.000) 4.434 7.638 ( -0.953 -8.084 0.000) 8.140 7.659 ( -7.367 0.928 0.000) 7.425 7.718 ( -1.586 -1.004 0.000) 1.877 7.823 ( 0.190 -4.739 0.000) 4.743 7.935 ( 2.664 -9.249 0.000) 9.625 7.978 ( 1.631 -13.590 0.000) 13.688 8.250 ( -13.483 -4.398 0.000) 14.183 8.266 ( -3.979 9.994 0.000) 10.757 8.493 ( -4.389 -8.124 0.000) 9.234 8.575 ( -7.777 -4.195 0.000) 8.836 8.881 ( 0.114 16.051 0.000) 16.051 8.918 ( 7.626 8.609 0.000) 11.501 9.223 ( -2.012 -2.769 0.000) 3.423 9.248 ( -5.164 -1.209 0.000) 5.303 9.470 ( 19.898 10.131 0.000) 22.329 9.499 ( -8.023 13.652 0.000) 15.835 9.562 ( -2.592 -1.154 0.000) 2.837 9.663 ( 8.741 -0.951 0.000) 8.792 9.819 ( 6.187 -5.814 0.000) 8.490 9.865 ( 5.808 -2.829 0.000) 6.460 10.057 ( 1.725 -14.344 0.000) 14.447 10.148 ( -0.826 10.528 0.000) 10.561 10.303 ( 1.592 -8.533 0.000) 8.680 10.348 ( -0.289 1.626 0.000) 1.652 10.355 ( -7.828 -0.739 0.000) 7.863 10.495 ( 3.155 -1.880 0.000) 3.673 10.688 ( 5.899 -0.207 0.000) 5.903 10.784 ( -0.174 11.117 0.000) 11.119 10.801 ( 3.980 -2.967 0.000) 4.964 10.996 ( -10.716 5.953 0.000) 12.259 11.042 ( 5.129 -9.165 0.000) 10.502 11.135 ( 1.706 -10.552 0.000) 10.689 11.291 ( 2.237 -3.125 0.000) 3.843 11.362 ( -6.937 0.103 0.000) 6.938 11.514 ( -1.809 6.636 0.000) 6.879 11.552 ( -0.995 7.598 0.000) 7.663 11.733 ( 1.259 -4.889 0.000) 5.048 11.883 ( -1.139 3.379 0.000) 3.565 11.928 ( -4.703 -8.695 0.000) 9.885 12.034 ( -0.212 -5.288 0.000) 5.292 12.229 ( -6.602 5.862 0.000) 8.829 12.336 ( -7.406 3.674 0.000) 8.267 12.373 ( 4.937 15.819 0.000) 16.571 12.519 ( 0.780 -0.185 0.000) 0.802 12.637 ( 6.276 1.751 0.000) 6.516 12.727 ( 3.925 -1.024 0.000) 4.056 12.793 ( 2.793 -0.480 0.000) 2.834 12.853 ( 5.171 -5.037 0.000) 7.218 12.864 ( 0.292 -1.424 0.000) 1.454 12.926 ( 0.406 1.810 0.000) 1.855 12.956 ( 0.619 0.943 0.000) 1.128 13.117 ( 14.505 -11.393 0.000) 18.444 13.185 ( 3.798 7.349 0.000) 8.272 13.505 ( -4.867 -7.110 0.000) 8.617 13.778 ( 1.374 -1.791 0.000) 2.257 13.829 ( -1.657 1.421 0.000) 2.183 13.956 ( -4.412 -8.745 0.000) 9.795 13.961 ( -1.349 -3.962 0.000) 4.185 14.509 ( 0.790 19.168 0.000) 19.184 14.764 ( -5.434 20.555 0.000) 21.262 15.028 ( 2.301 -7.230 0.000) 7.588 15.400 ( -10.215 -9.165 0.000) 13.723 15.856 ( -1.458 1.069 0.000) 1.808 15.980 ( -3.968 -2.014 0.000) 4.449 16.036 ( -0.860 -5.587 0.000) 5.653 16.087 ( -0.351 -7.954 0.000) 7.961 16.486 ( -1.984 7.456 0.000) 7.716 16.571 ( -3.741 10.261 0.000) 10.922 16.766 ( 8.351 -7.502 0.000) 11.226 16.870 ( 3.511 -4.000 0.000) 5.323 17.926 ( 0.398 10.296 0.000) 10.304 17.953 ( -0.449 12.582 0.000) 12.590 18.334 ( 0.580 -9.120 0.000) 9.139 18.405 ( -0.878 -9.484 0.000) 9.525 24.803 ( 0.983 3.471 0.000) 3.608 24.860 ( -0.531 3.626 0.000) 3.665 24.932 ( 1.646 -2.734 0.000) 3.191 25.006 ( -0.456 -3.256 0.000) 3.288 26.419 ( 0.112 19.173 0.000) 19.173 26.441 ( -0.386 5.528 0.000) 5.542 26.496 ( 9.532 0.201 0.000) 9.534 27.082 ( -1.871 -12.939 0.000) 13.074 27.596 ( -2.824 6.811 0.000) 7.373 27.883 ( -6.805 4.883 0.000) 8.376 27.952 ( 3.505 -10.705 0.000) 11.264 28.163 ( -2.679 -9.941 0.000) 10.296 28.753 ( 0.346 2.107 0.000) 2.135 28.785 ( -0.445 3.839 0.000) 3.865 28.862 ( 0.766 -3.309 0.000) 3.397 28.932 ( -0.919 -3.398 0.000) 3.520 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 32.061 25.453 0.000) 40.936 2.505 ( 30.453 33.300 0.000) 45.125 3.101 ( -32.448 23.537 0.000) 40.086 3.117 ( -29.388 24.373 0.000) 38.180 3.497 ( 14.561 -23.873 0.000) 27.963 3.860 ( -15.051 -23.753 0.000) 28.120 3.907 ( 10.260 -32.202 0.000) 33.797 3.970 ( 33.095 31.694 0.000) 45.823 4.404 ( -11.016 -18.847 0.000) 21.831 4.924 ( -32.834 30.477 0.000) 44.799 5.259 ( 2.838 10.165 0.000) 10.554 5.332 ( 5.775 6.977 0.000) 9.058 5.344 ( 1.164 5.330 0.000) 5.456 5.419 ( -5.879 8.904 0.000) 10.670 5.645 ( -0.786 14.593 0.000) 14.615 5.679 ( 0.098 0.999 0.000) 1.004 6.050 ( 7.746 6.988 0.000) 10.432 6.077 ( 4.006 17.734 0.000) 18.181 6.227 ( 4.779 -5.900 0.000) 7.593 6.319 ( -1.105 -7.091 0.000) 7.177 6.400 ( 10.635 -9.790 0.000) 14.455 6.552 ( -6.202 -6.983 0.000) 9.340 6.682 ( 5.949 -8.502 0.000) 10.376 6.693 ( 6.489 4.011 0.000) 7.629 6.896 ( -6.207 -6.316 0.000) 8.856 7.027 ( 13.659 -8.242 0.000) 15.953 7.104 ( -20.370 -23.829 0.000) 31.349 7.269 ( -7.057 -9.337 0.000) 11.704 7.469 ( -1.781 -4.569 0.000) 4.904 7.525 ( -5.929 1.465 0.000) 6.107 7.642 ( 1.696 -3.783 0.000) 4.146 7.649 ( -0.480 -8.624 0.000) 8.637 7.792 ( 10.537 2.536 0.000) 10.837 7.893 ( 3.833 -8.734 0.000) 9.538 7.949 ( -3.446 -5.859 0.000) 6.797 7.993 ( -2.735 -7.733 0.000) 8.203 8.095 ( 5.543 -2.497 0.000) 6.079 8.227 ( -0.012 -1.577 0.000) 1.577 8.355 ( -8.161 -12.539 0.000) 14.961 8.355 ( -12.847 -3.480 0.000) 13.310 8.960 ( 7.682 18.518 0.000) 20.048 9.088 ( 3.101 5.385 0.000) 6.214 9.135 ( -4.694 8.009 0.000) 9.283 9.160 ( -3.217 2.677 0.000) 4.185 9.404 ( 0.199 13.260 0.000) 13.261 9.486 ( -5.289 1.999 0.000) 5.654 9.779 ( 10.903 8.306 0.000) 13.707 9.781 ( 5.449 2.183 0.000) 5.870 9.893 ( -2.431 1.145 0.000) 2.687 9.910 ( 0.455 -1.625 0.000) 1.687 10.085 ( 1.266 -11.323 0.000) 11.393 10.159 ( -6.093 -7.309 0.000) 9.516 10.281 ( 10.002 0.105 0.000) 10.002 10.347 ( 0.568 -5.339 0.000) 5.369 10.356 ( 1.529 -6.812 0.000) 6.981 10.486 ( -6.375 -3.764 0.000) 7.404 10.801 ( 3.116 3.334 0.000) 4.563 10.806 ( 0.282 8.293 0.000) 8.298 10.823 ( 0.487 1.956 0.000) 2.016 10.844 ( -1.730 7.795 0.000) 7.985 11.140 ( 4.062 -7.450 0.000) 8.485 11.230 ( -5.473 -1.963 0.000) 5.814 11.242 ( 7.954 -7.854 0.000) 11.178 11.330 ( -0.333 -5.899 0.000) 5.908 11.463 ( -2.432 9.467 0.000) 9.775 11.481 ( -4.481 9.884 0.000) 10.853 11.769 ( 2.662 -7.142 0.000) 7.622 11.839 ( -4.229 -8.597 0.000) 9.581 11.901 ( 3.829 3.652 0.000) 5.291 12.047 ( -10.402 4.592 0.000) 11.370 12.071 ( 4.287 -5.096 0.000) 6.659 12.188 ( -7.224 -1.713 0.000) 7.424 12.480 ( 5.777 12.551 0.000) 13.817 12.587 ( -3.679 6.170 0.000) 7.184 12.640 ( 7.328 8.353 0.000) 11.112 12.797 ( -5.290 6.479 0.000) 8.364 12.862 ( 2.980 0.853 0.000) 3.100 12.870 ( 0.576 0.716 0.000) 0.919 12.911 ( 0.380 2.816 0.000) 2.842 12.921 ( 0.663 -0.463 0.000) 0.809 13.038 ( 10.879 -3.789 0.000) 11.520 13.234 ( -4.520 -7.816 0.000) 9.029 13.377 ( 8.762 -15.322 0.000) 17.650 13.424 ( -0.191 -3.989 0.000) 3.993 13.795 ( -0.696 -0.650 0.000) 0.952 13.828 ( 3.473 -3.302 0.000) 4.792 13.850 ( -5.244 -7.524 0.000) 9.171 13.911 ( -3.830 -4.120 0.000) 5.625 14.545 ( 3.317 19.447 0.000) 19.728 14.643 ( -6.330 19.548 0.000) 20.547 15.093 ( 4.430 -7.724 0.000) 8.904 15.210 ( -8.028 -7.773 0.000) 11.175 15.849 ( 1.215 0.790 0.000) 1.449 15.902 ( -3.769 -0.527 0.000) 3.806 16.030 ( 0.485 -5.704 0.000) 5.725 16.057 ( -2.082 -7.795 0.000) 8.068 16.483 ( 1.036 10.026 0.000) 10.079 16.514 ( -2.140 11.994 0.000) 12.183 16.886 ( 3.865 -9.551 0.000) 10.303 16.916 ( 0.680 -7.596 0.000) 7.626 17.935 ( 0.533 10.857 0.000) 10.870 17.945 ( -0.444 11.783 0.000) 11.791 18.352 ( 1.254 -9.092 0.000) 9.178 18.380 ( -1.553 -9.254 0.000) 9.383 24.825 ( 1.174 3.669 0.000) 3.852 24.846 ( -0.930 3.718 0.000) 3.833 24.965 ( 1.598 -3.027 0.000) 3.423 24.991 ( -1.040 -3.180 0.000) 3.345 26.423 ( 0.341 18.751 0.000) 18.754 26.431 ( -0.496 14.918 0.000) 14.926 26.732 ( 13.528 -2.513 0.000) 13.759 26.972 ( -9.824 -8.381 0.000) 12.913 27.602 ( 4.069 6.301 0.000) 7.501 27.730 ( -8.112 4.470 0.000) 9.262 28.024 ( 3.769 -13.875 0.000) 14.378 28.097 ( -3.770 -14.105 0.000) 14.600 28.762 ( 0.570 2.475 0.000) 2.540 28.774 ( -0.599 3.091 0.000) 3.149 28.882 ( 1.279 -3.409 0.000) 3.641 28.909 ( -1.371 -3.482 0.000) 3.742 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 0.000 -41.299 0.000) 41.299 2.362 ( 0.000 41.299 0.000) 41.299 2.670 ( 0.000 -45.834 0.000) 45.834 2.670 ( 0.000 45.834 0.000) 45.834 4.211 ( 0.000 -60.165 0.000) 60.165 4.211 ( 0.000 60.165 0.000) 60.165 4.486 ( 0.000 -8.331 0.000) 8.331 4.486 ( 0.000 8.331 0.000) 8.331 4.593 ( 0.000 -23.049 0.000) 23.049 4.593 ( 0.000 23.049 0.000) 23.049 4.891 ( 0.000 -1.268 0.000) 1.268 4.891 ( 0.000 1.268 0.000) 1.268 5.394 ( 0.000 -4.947 0.000) 4.947 5.394 ( 0.000 4.947 0.000) 4.947 5.654 ( 0.000 -4.079 0.000) 4.079 5.654 ( 0.000 4.079 0.000) 4.079 5.738 ( 0.000 -0.697 0.000) 0.697 5.738 ( 0.000 0.697 0.000) 0.697 6.268 ( 0.000 -10.245 0.000) 10.245 6.268 ( 0.000 10.245 0.000) 10.245 6.709 ( 0.000 -9.964 0.000) 9.964 6.709 ( 0.000 9.964 0.000) 9.964 6.858 ( 0.000 -11.740 0.000) 11.740 6.858 ( 0.000 11.740 0.000) 11.740 6.919 ( 0.000 -13.223 0.000) 13.223 6.919 ( 0.000 13.223 0.000) 13.223 7.264 ( 0.000 -3.013 0.000) 3.013 7.264 ( 0.000 3.013 0.000) 3.013 7.440 ( 0.000 -12.167 0.000) 12.167 7.440 ( 0.000 12.167 0.000) 12.167 7.657 ( 0.000 -8.636 0.000) 8.636 7.657 ( 0.000 8.636 0.000) 8.636 7.752 ( 0.000 -1.065 0.000) 1.065 7.752 ( 0.000 1.065 0.000) 1.065 7.755 ( 0.000 -1.575 0.000) 1.575 7.755 ( 0.000 1.575 0.000) 1.575 8.376 ( 0.000 -5.675 0.000) 5.675 8.376 ( 0.000 5.675 0.000) 5.675 8.518 ( 0.000 -8.706 0.000) 8.706 8.518 ( 0.000 8.706 0.000) 8.706 9.164 ( 0.000 -2.489 0.000) 2.489 9.164 ( 0.000 2.489 0.000) 2.489 9.200 ( 0.000 -13.056 0.000) 13.056 9.200 ( 0.000 13.056 0.000) 13.056 9.396 ( 0.000 -11.940 0.000) 11.940 9.396 ( 0.000 11.940 0.000) 11.940 9.527 ( 0.000 -1.848 0.000) 1.848 9.527 ( 0.000 1.848 0.000) 1.848 9.778 ( 0.000 -8.917 0.000) 8.917 9.778 ( 0.000 8.917 0.000) 8.917 10.037 ( 0.000 -18.318 0.000) 18.318 10.037 ( 0.000 18.318 0.000) 18.318 10.394 ( 0.000 -7.279 0.000) 7.279 10.394 ( 0.000 7.279 0.000) 7.279 10.423 ( 0.000 -3.067 0.000) 3.067 10.423 ( 0.000 3.067 0.000) 3.067 10.633 ( 0.000 -1.241 0.000) 1.241 10.633 ( 0.000 1.241 0.000) 1.241 10.949 ( 0.000 -2.500 0.000) 2.500 10.949 ( 0.000 2.500 0.000) 2.500 11.029 ( 0.000 -12.003 0.000) 12.003 11.029 ( 0.000 12.003 0.000) 12.003 11.345 ( 0.000 -8.756 0.000) 8.756 11.345 ( 0.000 8.756 0.000) 8.756 11.632 ( 0.000 -4.963 0.000) 4.963 11.632 ( 0.000 4.963 0.000) 4.963 11.764 ( 0.000 -12.994 0.000) 12.994 11.764 ( 0.000 12.994 0.000) 12.994 11.968 ( 0.000 -3.599 0.000) 3.599 11.968 ( 0.000 3.599 0.000) 3.599 12.405 ( 0.000 -5.840 0.000) 5.840 12.405 ( 0.000 5.840 0.000) 5.840 12.519 ( 0.000 -2.714 0.000) 2.714 12.519 ( 0.000 2.714 0.000) 2.714 12.632 ( 0.000 -13.492 0.000) 13.492 12.632 ( 0.000 13.492 0.000) 13.492 12.670 ( 0.000 -7.691 0.000) 7.691 12.670 ( 0.000 7.691 0.000) 7.691 12.844 ( 0.000 -0.464 0.000) 0.464 12.844 ( 0.000 0.464 0.000) 0.464 12.967 ( 0.000 -0.290 0.000) 0.290 12.967 ( 0.000 0.290 0.000) 0.290 13.393 ( 0.000 -9.042 0.000) 9.042 13.393 ( 0.000 9.042 0.000) 9.042 13.829 ( 0.000 -7.527 0.000) 7.527 13.829 ( 0.000 7.527 0.000) 7.527 13.898 ( 0.000 -3.696 0.000) 3.696 13.898 ( 0.000 3.696 0.000) 3.696 14.821 ( 0.000 -13.315 0.000) 13.315 14.821 ( 0.000 13.315 0.000) 13.315 15.216 ( 0.000 -19.272 0.000) 19.272 15.216 ( 0.000 19.272 0.000) 19.272 15.934 ( 0.000 -4.986 0.000) 4.986 15.934 ( 0.000 4.986 0.000) 4.986 15.998 ( 0.000 -1.388 0.000) 1.388 15.998 ( 0.000 1.388 0.000) 1.388 16.601 ( 0.000 -0.326 0.000) 0.326 16.601 ( 0.000 0.326 0.000) 0.326 16.755 ( 0.000 -5.644 0.000) 5.644 16.755 ( 0.000 5.644 0.000) 5.644 18.130 ( 0.000 -11.199 0.000) 11.199 18.130 ( 0.000 11.199 0.000) 11.199 18.202 ( 0.000 -12.319 0.000) 12.319 18.202 ( 0.000 12.319 0.000) 12.319 24.858 ( 0.000 -3.319 0.000) 3.319 24.858 ( 0.000 3.319 0.000) 3.319 24.939 ( 0.000 -3.976 0.000) 3.976 24.939 ( 0.000 3.976 0.000) 3.976 26.418 ( 0.000 -1.302 0.000) 1.302 26.418 ( 0.000 1.302 0.000) 1.302 26.785 ( 0.000 -18.526 0.000) 18.526 26.785 ( 0.000 18.526 0.000) 18.526 27.755 ( 0.000 -7.233 0.000) 7.233 27.755 ( 0.000 7.233 0.000) 7.233 28.068 ( 0.000 -6.294 0.000) 6.294 28.068 ( 0.000 6.294 0.000) 6.294 28.796 ( 0.000 -2.790 0.000) 2.790 28.796 ( 0.000 2.790 0.000) 2.790 28.870 ( 0.000 -4.105 0.000) 4.105 28.870 ( 0.000 4.105 0.000) 4.105 ======================= Grid point 17 (11/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 16.512 -35.720 0.000) 39.352 2.532 ( 16.512 35.720 0.000) 39.352 2.813 ( 14.216 -43.305 0.000) 45.578 2.813 ( 14.216 43.305 0.000) 45.578 4.074 ( -29.197 -14.341 0.000) 32.529 4.074 ( -29.197 14.341 0.000) 32.529 4.192 ( -18.381 -9.102 0.000) 20.511 4.192 ( -18.381 9.102 0.000) 20.511 4.497 ( 13.018 -37.765 0.000) 39.945 4.497 ( 13.018 37.765 0.000) 39.945 5.164 ( 15.268 -6.054 0.000) 16.425 5.164 ( 15.268 6.054 0.000) 16.425 5.621 ( 6.714 -10.531 0.000) 12.489 5.621 ( 6.714 10.531 0.000) 12.489 5.697 ( 2.404 -14.222 0.000) 14.424 5.697 ( 2.404 14.222 0.000) 14.424 5.767 ( 11.886 -1.776 0.000) 12.018 5.767 ( 11.886 1.776 0.000) 12.018 6.284 ( 0.836 -7.245 0.000) 7.293 6.284 ( 0.836 7.245 0.000) 7.293 6.721 ( -12.338 -8.928 0.000) 15.229 6.721 ( -12.338 8.928 0.000) 15.229 6.748 ( -10.142 -15.965 0.000) 18.914 6.748 ( -10.142 15.965 0.000) 18.914 6.761 ( -0.059 -16.974 0.000) 16.974 6.761 ( -0.059 16.974 0.000) 16.974 7.150 ( -7.515 -10.053 0.000) 12.552 7.150 ( -7.515 10.053 0.000) 12.552 7.500 ( 3.653 -6.675 0.000) 7.609 7.500 ( 3.653 6.675 0.000) 7.609 7.615 ( -1.296 -3.524 0.000) 3.755 7.615 ( -1.296 3.524 0.000) 3.755 7.773 ( 1.372 -6.479 0.000) 6.623 7.773 ( 1.372 6.479 0.000) 6.623 7.787 ( 1.515 -5.011 0.000) 5.235 7.787 ( 1.515 5.011 0.000) 5.235 8.315 ( -7.887 -8.761 0.000) 11.788 8.315 ( -7.887 8.761 0.000) 11.788 8.451 ( -6.267 -8.504 0.000) 10.564 8.451 ( -6.267 8.504 0.000) 10.564 9.094 ( 0.778 -8.900 0.000) 8.934 9.094 ( 0.778 8.900 0.000) 8.934 9.169 ( -1.396 -9.482 0.000) 9.584 9.169 ( -1.396 9.482 0.000) 9.584 9.622 ( 6.313 -6.152 0.000) 8.815 9.622 ( 6.313 6.152 0.000) 8.815 9.648 ( 16.231 -5.960 0.000) 17.290 9.648 ( 16.231 5.960 0.000) 17.290 9.783 ( 1.529 -6.786 0.000) 6.956 9.783 ( 1.529 6.786 0.000) 6.956 9.981 ( -5.661 -19.171 0.000) 19.990 9.981 ( -5.661 19.171 0.000) 19.990 10.313 ( -5.103 -6.036 0.000) 7.904 10.313 ( -5.103 6.036 0.000) 7.904 10.429 ( 0.035 -4.641 0.000) 4.641 10.429 ( 0.035 4.641 0.000) 4.641 10.732 ( 7.369 -4.019 0.000) 8.394 10.732 ( 7.369 4.019 0.000) 8.394 10.983 ( -3.720 -7.792 0.000) 8.634 10.983 ( -3.720 7.792 0.000) 8.634 10.985 ( 3.955 -3.941 0.000) 5.583 10.985 ( 3.955 3.941 0.000) 5.583 11.295 ( -3.777 -4.257 0.000) 5.691 11.295 ( -3.777 4.257 0.000) 5.691 11.633 ( -0.085 -5.690 0.000) 5.691 11.633 ( -0.085 5.690 0.000) 5.691 11.744 ( -2.518 -10.496 0.000) 10.794 11.744 ( -2.518 10.496 0.000) 10.794 11.950 ( -0.951 -3.781 0.000) 3.898 11.950 ( -0.951 3.781 0.000) 3.898 12.324 ( -8.233 -3.946 0.000) 9.130 12.324 ( -8.233 3.946 0.000) 9.130 12.602 ( 6.150 -6.568 0.000) 8.999 12.602 ( 6.150 6.568 0.000) 8.999 12.679 ( 3.775 -13.490 0.000) 14.008 12.679 ( 3.775 13.490 0.000) 14.008 12.746 ( 8.118 -4.760 0.000) 9.411 12.746 ( 8.118 4.760 0.000) 9.411 12.862 ( 1.813 -2.416 0.000) 3.021 12.862 ( 1.813 2.416 0.000) 3.021 12.989 ( 2.566 -3.173 0.000) 4.081 12.989 ( 2.566 3.173 0.000) 4.081 13.374 ( -2.155 -8.294 0.000) 8.570 13.374 ( -2.155 8.294 0.000) 8.570 13.802 ( -2.226 -5.445 0.000) 5.882 13.802 ( -2.226 5.445 0.000) 5.882 13.883 ( -1.621 -3.888 0.000) 4.212 13.883 ( -1.621 3.888 0.000) 4.212 14.834 ( 1.403 -13.875 0.000) 13.946 14.834 ( 1.403 13.875 0.000) 13.946 15.137 ( -7.234 -17.629 0.000) 19.056 15.137 ( -7.234 17.629 0.000) 19.056 15.919 ( -1.115 -5.357 0.000) 5.472 15.919 ( -1.115 5.357 0.000) 5.472 15.976 ( -2.069 -2.740 0.000) 3.434 15.976 ( -2.069 2.740 0.000) 3.434 16.631 ( 2.789 -7.217 0.000) 7.737 16.631 ( 2.789 7.217 0.000) 7.737 16.755 ( -0.199 -8.149 0.000) 8.151 16.755 ( -0.199 8.149 0.000) 8.151 18.136 ( 0.601 -11.216 0.000) 11.232 18.136 ( 0.601 11.216 0.000) 11.232 18.195 ( -0.737 -12.270 0.000) 12.292 18.195 ( -0.737 12.270 0.000) 12.292 24.872 ( 1.261 -3.539 0.000) 3.757 24.872 ( 1.261 3.539 0.000) 3.757 24.935 ( -0.453 -4.005 0.000) 4.031 24.935 ( -0.453 4.005 0.000) 4.031 26.492 ( 6.908 -0.892 0.000) 6.965 26.492 ( 6.908 0.892 0.000) 6.965 26.783 ( -0.453 -18.096 0.000) 18.101 26.783 ( -0.453 18.096 0.000) 18.101 27.752 ( -0.002 -9.601 0.000) 9.601 27.752 ( -0.002 9.601 0.000) 9.601 28.000 ( -6.283 -7.355 0.000) 9.674 28.000 ( -6.283 7.355 0.000) 9.674 28.802 ( 0.610 -2.918 0.000) 2.981 28.802 ( 0.610 2.918 0.000) 2.981 28.861 ( -0.881 -3.998 0.000) 4.094 28.861 ( -0.881 3.998 0.000) 4.094 ======================= Grid point 19 (12/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 25.364 -25.880 0.000) 36.237 2.951 ( 25.364 25.880 0.000) 36.237 3.189 ( 22.986 -37.382 0.000) 43.884 3.189 ( 22.986 37.382 0.000) 43.884 3.497 ( -28.700 -19.173 0.000) 34.515 3.497 ( -28.700 19.173 0.000) 34.515 3.700 ( -27.145 -30.185 0.000) 40.595 3.700 ( -27.145 30.185 0.000) 40.595 4.979 ( 30.618 -42.767 0.000) 52.597 4.979 ( 30.618 42.767 0.000) 52.597 5.381 ( 5.706 -1.829 0.000) 5.992 5.381 ( 5.706 1.829 0.000) 5.992 5.563 ( -6.152 -5.201 0.000) 8.056 5.563 ( -6.152 5.201 0.000) 8.056 5.570 ( -17.652 -27.623 0.000) 32.782 5.570 ( -17.652 27.623 0.000) 32.782 6.113 ( 14.462 -3.959 0.000) 14.994 6.113 ( 14.462 3.959 0.000) 14.994 6.249 ( -3.046 -4.908 0.000) 5.777 6.249 ( -3.046 4.908 0.000) 5.777 6.507 ( -3.538 -5.295 0.000) 6.368 6.507 ( -3.538 5.295 0.000) 6.368 6.547 ( -8.009 -17.971 0.000) 19.675 6.547 ( -8.009 17.971 0.000) 19.675 6.879 ( 8.303 -7.818 0.000) 11.405 6.879 ( 8.303 7.818 0.000) 11.405 7.027 ( -6.069 -15.481 0.000) 16.628 7.027 ( -6.069 15.481 0.000) 16.628 7.512 ( -1.351 -7.700 0.000) 7.818 7.512 ( -1.351 7.700 0.000) 7.818 7.550 ( -5.031 -2.525 0.000) 5.629 7.550 ( -5.031 2.525 0.000) 5.629 7.843 ( 5.182 -5.078 0.000) 7.256 7.843 ( 5.182 5.078 0.000) 7.256 7.875 ( 6.238 -5.628 0.000) 8.401 7.875 ( 6.238 5.628 0.000) 8.401 8.145 ( -4.487 -8.221 0.000) 9.366 8.145 ( -4.487 8.221 0.000) 9.366 8.273 ( -11.643 -4.740 0.000) 12.571 8.273 ( -11.643 4.740 0.000) 12.571 9.163 ( 3.477 -2.462 0.000) 4.260 9.163 ( 3.477 2.462 0.000) 4.260 9.178 ( 1.432 -2.685 0.000) 3.043 9.178 ( 1.432 2.685 0.000) 3.043 9.697 ( 3.171 -18.460 0.000) 18.730 9.697 ( 3.171 18.460 0.000) 18.730 9.799 ( -5.482 -21.535 0.000) 22.221 9.799 ( -5.482 21.535 0.000) 22.221 9.864 ( 5.076 -1.769 0.000) 5.376 9.864 ( 5.076 1.769 0.000) 5.376 9.905 ( 1.676 -2.299 0.000) 2.845 9.905 ( 1.676 2.299 0.000) 2.845 10.283 ( 3.214 -1.209 0.000) 3.434 10.283 ( 3.214 1.209 0.000) 3.434 10.386 ( -4.871 -5.637 0.000) 7.450 10.386 ( -4.871 5.637 0.000) 7.450 10.862 ( 5.194 -1.292 0.000) 5.352 10.862 ( 5.194 1.292 0.000) 5.352 10.926 ( -2.144 -1.380 0.000) 2.550 10.926 ( -2.144 1.380 0.000) 2.550 11.099 ( 6.941 -4.785 0.000) 8.431 11.099 ( 6.941 4.785 0.000) 8.431 11.216 ( -4.734 -3.460 0.000) 5.864 11.216 ( -4.734 3.460 0.000) 5.864 11.629 ( 0.353 -7.818 0.000) 7.826 11.629 ( 0.353 7.818 0.000) 7.826 11.673 ( -3.932 -9.235 0.000) 10.038 11.673 ( -3.932 9.235 0.000) 10.038 11.978 ( 4.641 -4.524 0.000) 6.481 11.978 ( 4.641 4.524 0.000) 6.481 12.129 ( -10.184 -4.011 0.000) 10.946 12.129 ( -10.184 4.011 0.000) 10.946 12.701 ( 3.634 -3.653 0.000) 5.152 12.701 ( 3.634 3.653 0.000) 5.152 12.730 ( 0.752 -11.205 0.000) 11.231 12.730 ( 0.752 11.205 0.000) 11.231 12.884 ( 3.459 -2.155 0.000) 4.076 12.884 ( 3.459 2.155 0.000) 4.076 12.899 ( 1.208 -3.000 0.000) 3.234 12.899 ( 1.208 3.000 0.000) 3.234 13.107 ( 9.813 -11.414 0.000) 15.053 13.107 ( 9.813 11.414 0.000) 15.053 13.289 ( -7.197 -9.805 0.000) 12.163 13.289 ( -7.197 9.805 0.000) 12.163 13.780 ( 0.920 -0.517 0.000) 1.056 13.780 ( 0.920 0.517 0.000) 1.056 13.832 ( -3.407 -3.717 0.000) 5.042 13.832 ( -3.407 3.717 0.000) 5.042 14.881 ( 3.653 -14.832 0.000) 15.275 14.881 ( 3.653 14.832 0.000) 15.275 14.986 ( -7.122 -15.582 0.000) 17.132 14.986 ( -7.122 15.582 0.000) 17.132 15.908 ( 0.241 -5.437 0.000) 5.442 15.908 ( 0.241 5.437 0.000) 5.442 15.931 ( -2.068 -4.339 0.000) 4.806 15.931 ( -2.068 4.339 0.000) 4.806 16.693 ( 3.111 -10.843 0.000) 11.281 16.693 ( 3.111 10.843 0.000) 11.281 16.740 ( -1.563 -10.869 0.000) 10.981 16.740 ( -1.563 10.869 0.000) 10.981 18.153 ( 1.085 -11.402 0.000) 11.453 18.153 ( 1.085 11.402 0.000) 11.453 18.176 ( -1.180 -11.871 0.000) 11.929 18.176 ( -1.180 11.871 0.000) 11.929 24.899 ( 1.367 -3.851 0.000) 4.086 24.899 ( 1.367 3.851 0.000) 4.086 24.921 ( -0.941 -4.003 0.000) 4.112 24.921 ( -0.941 4.003 0.000) 4.112 26.643 ( 7.415 -7.426 0.000) 10.494 26.643 ( 7.415 7.426 0.000) 10.494 26.751 ( -3.402 -14.808 0.000) 15.193 26.751 ( -3.402 14.808 0.000) 15.193 27.773 ( 2.649 -11.562 0.000) 11.862 27.773 ( 2.649 11.562 0.000) 11.862 27.865 ( -6.575 -9.798 0.000) 11.799 27.865 ( -6.575 9.798 0.000) 11.799 28.818 ( 1.036 -3.248 0.000) 3.409 28.818 ( 1.036 3.248 0.000) 3.409 28.840 ( -1.166 -3.663 0.000) 3.844 28.840 ( -1.166 3.663 0.000) 3.844 ======================= Grid point 35 (13/72) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.000 0.000 43.547) 43.547 0.947 ( 0.000 0.000 48.632) 48.632 1.660 ( 0.000 0.000 85.143) 85.143 3.309 ( 0.000 0.000 12.954) 12.954 3.848 ( 0.000 0.000 27.135) 27.135 4.561 ( 0.000 0.000 2.168) 2.168 4.603 ( 0.000 0.000 7.520) 7.520 4.689 ( 0.000 0.000 0.807) 0.807 4.762 ( 0.000 0.000 -11.276) 11.276 4.807 ( 0.000 0.000 11.315) 11.315 4.945 ( 0.000 0.000 -1.326) 1.326 5.089 ( 0.000 0.000 -4.888) 4.888 5.170 ( 0.000 0.000 -2.394) 2.394 5.230 ( 0.000 0.000 -6.817) 6.817 5.368 ( 0.000 0.000 0.638) 0.638 5.801 ( 0.000 0.000 -6.312) 6.312 5.929 ( 0.000 0.000 5.478) 5.478 6.109 ( 0.000 0.000 -6.596) 6.596 6.221 ( 0.000 0.000 8.582) 8.582 6.236 ( 0.000 0.000 2.142) 2.142 6.396 ( 0.000 0.000 -4.621) 4.621 6.530 ( 0.000 0.000 -1.609) 1.609 6.670 ( 0.000 0.000 1.807) 1.807 6.759 ( 0.000 0.000 6.423) 6.423 6.816 ( 0.000 0.000 -15.698) 15.698 7.002 ( 0.000 0.000 1.085) 1.085 7.038 ( 0.000 0.000 10.534) 10.534 7.295 ( 0.000 0.000 -2.243) 2.243 7.393 ( 0.000 0.000 -4.221) 4.221 7.653 ( 0.000 0.000 7.243) 7.243 7.723 ( 0.000 0.000 2.517) 2.517 7.746 ( 0.000 0.000 -8.479) 8.479 7.897 ( 0.000 0.000 -1.745) 1.745 7.954 ( 0.000 0.000 1.041) 1.041 8.156 ( 0.000 0.000 -10.063) 10.063 8.202 ( 0.000 0.000 -5.413) 5.413 8.324 ( 0.000 0.000 -11.253) 11.253 8.433 ( 0.000 0.000 -1.631) 1.631 8.600 ( 0.000 0.000 -9.477) 9.477 8.641 ( 0.000 0.000 -4.860) 4.860 8.650 ( 0.000 0.000 -1.084) 1.084 8.857 ( 0.000 0.000 -1.750) 1.750 9.140 ( 0.000 0.000 -17.579) 17.579 9.238 ( 0.000 0.000 -6.513) 6.513 9.277 ( 0.000 0.000 -8.090) 8.090 9.395 ( 0.000 0.000 9.194) 9.194 9.722 ( 0.000 0.000 -5.284) 5.284 9.727 ( 0.000 0.000 3.341) 3.341 9.739 ( 0.000 0.000 -8.437) 8.437 9.858 ( 0.000 0.000 4.139) 4.139 9.886 ( 0.000 0.000 5.348) 5.348 10.110 ( 0.000 0.000 6.403) 6.403 10.223 ( 0.000 0.000 -8.824) 8.824 10.287 ( 0.000 0.000 -2.839) 2.839 10.496 ( 0.000 0.000 7.127) 7.127 10.507 ( 0.000 0.000 -13.061) 13.061 10.637 ( 0.000 0.000 -7.917) 7.917 10.664 ( 0.000 0.000 5.867) 5.867 10.849 ( 0.000 0.000 0.861) 0.861 10.869 ( 0.000 0.000 -6.707) 6.707 10.896 ( 0.000 0.000 4.780) 4.780 11.153 ( 0.000 0.000 -0.413) 0.413 11.188 ( 0.000 0.000 7.333) 7.333 11.370 ( 0.000 0.000 -9.856) 9.856 11.453 ( 0.000 0.000 -2.981) 2.981 11.516 ( 0.000 0.000 2.194) 2.194 11.648 ( 0.000 0.000 -3.285) 3.285 11.726 ( 0.000 0.000 1.671) 1.671 12.017 ( 0.000 0.000 -5.394) 5.394 12.142 ( 0.000 0.000 -11.526) 11.526 12.162 ( 0.000 0.000 -3.509) 3.509 12.270 ( 0.000 0.000 3.514) 3.514 12.375 ( 0.000 0.000 5.075) 5.075 12.379 ( 0.000 0.000 -11.681) 11.681 12.547 ( 0.000 0.000 -7.600) 7.600 12.712 ( 0.000 0.000 0.456) 0.456 12.790 ( 0.000 0.000 15.011) 15.011 12.850 ( 0.000 0.000 0.823) 0.823 12.927 ( 0.000 0.000 3.923) 3.923 12.979 ( 0.000 0.000 13.722) 13.722 13.136 ( 0.000 0.000 13.867) 13.867 13.265 ( 0.000 0.000 14.370) 14.370 13.682 ( 0.000 0.000 -5.555) 5.555 13.866 ( 0.000 0.000 2.817) 2.817 13.892 ( 0.000 0.000 0.398) 0.398 13.961 ( 0.000 0.000 -1.289) 1.289 14.077 ( 0.000 0.000 2.718) 2.718 14.123 ( 0.000 0.000 8.772) 8.772 14.241 ( 0.000 0.000 -3.712) 3.712 14.270 ( 0.000 0.000 9.213) 9.213 14.288 ( 0.000 0.000 1.930) 1.930 15.659 ( 0.000 0.000 -11.445) 11.445 15.800 ( 0.000 0.000 -1.559) 1.559 15.909 ( 0.000 0.000 -2.387) 2.387 16.011 ( 0.000 0.000 -1.343) 1.343 16.171 ( 0.000 0.000 -6.978) 6.978 16.192 ( 0.000 0.000 0.311) 0.311 16.346 ( 0.000 0.000 -18.809) 18.809 16.472 ( 0.000 0.000 0.190) 0.190 16.761 ( 0.000 0.000 -3.319) 3.319 17.769 ( 0.000 0.000 8.678) 8.678 18.457 ( 0.000 0.000 -5.630) 5.630 18.500 ( 0.000 0.000 -9.984) 9.984 19.269 ( 0.000 0.000 -2.132) 2.132 24.771 ( 0.000 0.000 5.186) 5.186 24.886 ( 0.000 0.000 2.913) 2.913 25.003 ( 0.000 0.000 4.254) 4.254 25.115 ( 0.000 0.000 3.671) 3.671 25.889 ( 0.000 0.000 2.734) 2.734 26.000 ( 0.000 0.000 1.676) 1.676 26.380 ( 0.000 0.000 -0.393) 0.393 26.461 ( 0.000 0.000 -1.790) 1.790 27.290 ( 0.000 0.000 -4.326) 4.326 27.546 ( 0.000 0.000 -5.613) 5.613 27.781 ( 0.000 0.000 -7.413) 7.413 28.033 ( 0.000 0.000 -7.882) 7.882 28.829 ( 0.000 0.000 14.207) 14.207 29.016 ( 0.000 0.000 7.849) 7.849 29.105 ( 0.000 0.000 9.571) 9.571 30.840 ( 0.000 0.000 -1.572) 1.572 ======================= Grid point 36 (14/72) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 27.028 0.000 36.757) 45.625 1.399 ( 38.347 0.000 32.177) 50.059 2.153 ( 48.775 0.000 59.811) 77.177 3.056 ( -23.198 0.000 14.173) 27.185 3.497 ( -29.845 0.000 23.288) 37.856 4.526 ( 0.686 0.000 3.972) 4.030 4.596 ( 0.804 0.000 0.734) 1.089 4.783 ( 8.103 0.000 0.470) 8.117 4.850 ( -7.514 0.000 -3.435) 8.262 4.855 ( 3.966 0.000 11.689) 12.343 5.047 ( -2.697 0.000 -2.662) 3.790 5.101 ( 14.894 0.000 -4.290) 15.500 5.123 ( -0.393 0.000 -1.650) 1.697 5.161 ( -11.157 0.000 3.876) 11.811 5.229 ( -0.330 0.000 -6.992) 7.000 5.667 ( -15.888 0.000 5.273) 16.740 5.755 ( -35.757 0.000 14.201) 38.474 5.831 ( -7.401 0.000 -5.985) 9.518 6.180 ( -13.054 0.000 -0.993) 13.091 6.286 ( 20.919 0.000 2.405) 21.057 6.407 ( 14.368 0.000 0.961) 14.401 6.671 ( -0.529 0.000 -1.034) 1.161 6.740 ( 4.128 0.000 -4.391) 6.026 6.863 ( 10.573 0.000 1.791) 10.723 6.939 ( -3.017 0.000 -2.834) 4.139 7.060 ( 17.173 0.000 -14.665) 22.582 7.085 ( 6.234 0.000 4.196) 7.515 7.409 ( 0.526 0.000 -4.480) 4.510 7.478 ( -13.463 0.000 1.276) 13.523 7.571 ( 21.283 0.000 -3.090) 21.506 7.682 ( -3.214 0.000 -6.507) 7.258 7.745 ( 2.886 0.000 4.274) 5.158 7.892 ( 1.535 0.000 -4.609) 4.858 7.949 ( 0.727 0.000 4.328) 4.388 8.082 ( -7.452 0.000 -5.096) 9.028 8.188 ( -0.315 0.000 -7.288) 7.295 8.351 ( -7.649 0.000 -1.410) 7.778 8.419 ( -0.497 0.000 -5.638) 5.660 8.551 ( -8.014 0.000 -6.180) 10.120 8.610 ( 0.885 0.000 -6.719) 6.777 8.805 ( -5.126 0.000 -4.635) 6.911 8.852 ( 16.190 0.000 -2.997) 16.466 9.053 ( 4.460 0.000 -14.576) 15.243 9.170 ( -6.629 0.000 3.045) 7.295 9.374 ( -9.423 0.000 -5.356) 10.839 9.383 ( -4.961 0.000 4.853) 6.940 9.546 ( -9.295 0.000 -11.652) 14.905 9.771 ( -2.459 0.000 4.445) 5.080 9.771 ( 3.437 0.000 -6.709) 7.538 9.861 ( 0.459 0.000 -0.533) 0.703 9.922 ( 1.519 0.000 -12.369) 12.462 10.146 ( 3.529 0.000 7.143) 7.967 10.243 ( 11.313 0.000 1.360) 11.394 10.348 ( 8.066 0.000 -8.031) 11.383 10.528 ( -6.481 0.000 4.327) 7.793 10.554 ( 5.128 0.000 5.065) 7.208 10.621 ( -0.080 0.000 -3.833) 3.834 10.697 ( -13.187 0.000 -5.236) 14.189 10.755 ( 10.202 0.000 -9.734) 14.101 10.836 ( -1.426 0.000 0.517) 1.516 10.978 ( 5.105 0.000 8.199) 9.658 11.264 ( 7.645 0.000 -2.256) 7.971 11.271 ( 3.269 0.000 3.291) 4.638 11.333 ( -1.821 0.000 -6.339) 6.596 11.462 ( -1.683 0.000 -6.481) 6.696 11.510 ( -0.576 0.000 -6.357) 6.383 11.596 ( -2.949 0.000 -5.875) 6.573 11.614 ( -5.790 0.000 5.663) 8.099 12.030 ( -0.315 0.000 -4.769) 4.780 12.110 ( -2.514 0.000 -8.721) 9.076 12.141 ( -1.981 0.000 -2.665) 3.321 12.249 ( 1.581 0.000 2.510) 2.966 12.305 ( 0.086 0.000 1.475) 1.477 12.502 ( -8.598 0.000 -0.721) 8.628 12.572 ( 15.764 0.000 1.700) 15.856 12.675 ( -7.699 0.000 9.430) 12.173 12.815 ( -1.868 0.000 2.717) 3.297 12.861 ( 0.748 0.000 2.285) 2.405 12.946 ( 2.880 0.000 1.810) 3.402 13.084 ( 10.103 0.000 12.507) 16.078 13.168 ( 2.251 0.000 19.104) 19.236 13.342 ( 6.442 0.000 13.266) 14.748 13.613 ( -7.059 0.000 -5.454) 8.920 13.868 ( 0.257 0.000 2.554) 2.566 13.891 ( -0.165 0.000 0.813) 0.830 13.921 ( -5.456 0.000 -5.535) 7.772 13.952 ( -0.838 0.000 -1.302) 1.549 14.087 ( 0.064 0.000 2.371) 2.372 14.138 ( 1.438 0.000 8.750) 8.867 14.256 ( -1.372 0.000 9.181) 9.283 14.785 ( 19.457 0.000 -18.574) 26.899 15.458 ( -12.972 0.000 -6.056) 14.316 15.796 ( -0.270 0.000 -1.368) 1.394 15.902 ( -0.084 0.000 -1.901) 1.902 15.933 ( -5.485 0.000 -0.761) 5.537 16.255 ( -7.959 0.000 -13.261) 15.466 16.273 ( 5.905 0.000 -0.242) 5.910 16.441 ( 17.087 0.000 -23.295) 28.890 16.468 ( -0.545 0.000 0.059) 0.548 16.791 ( 1.976 0.000 -9.239) 9.448 17.808 ( 3.936 0.000 10.180) 10.914 18.440 ( -3.751 0.000 -3.816) 5.350 18.484 ( -1.662 0.000 -7.025) 7.219 18.669 ( -31.684 0.000 26.161) 41.089 24.779 ( 0.753 0.000 5.133) 5.188 24.846 ( -1.730 0.000 5.113) 5.398 25.037 ( 1.662 0.000 3.363) 3.751 25.110 ( -0.508 0.000 3.685) 3.720 25.897 ( 0.856 0.000 2.648) 2.783 25.987 ( -1.294 0.000 1.798) 2.215 26.482 ( 10.178 0.000 -0.686) 10.201 27.111 ( 33.796 0.000 -34.682) 48.425 27.337 ( 4.636 0.000 -4.609) 6.537 27.442 ( -5.420 0.000 -10.029) 11.400 27.734 ( -4.744 0.000 -7.097) 8.537 28.044 ( -0.269 0.000 -13.552) 13.555 28.887 ( 5.708 0.000 16.837) 17.778 29.024 ( 0.799 0.000 7.957) 7.997 29.106 ( 0.440 0.000 10.607) 10.616 30.154 ( -43.228 0.000 37.801) 57.424 ======================= Grid point 37 (15/72) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 33.596 0.000 24.462) 41.558 2.123 ( 36.864 0.000 30.303) 47.720 2.505 ( -31.850 0.000 17.780) 36.476 2.832 ( -34.890 0.000 24.341) 42.541 3.313 ( 61.946 0.000 29.377) 68.559 4.400 ( -36.826 0.000 7.713) 37.625 4.600 ( 1.437 0.000 -1.946) 2.419 4.688 ( -7.213 0.000 -4.585) 8.547 4.757 ( -3.228 0.000 12.767) 13.169 4.906 ( -11.914 0.000 4.089) 12.596 4.939 ( 7.254 0.000 0.521) 7.273 5.072 ( -3.866 0.000 -1.639) 4.199 5.117 ( 4.624 0.000 -2.029) 5.050 5.185 ( 5.772 0.000 11.030) 12.449 5.199 ( -3.132 0.000 -5.452) 6.288 5.371 ( -8.051 0.000 8.622) 11.797 5.484 ( 0.035 0.000 5.959) 5.959 5.623 ( -11.150 0.000 0.153) 11.151 6.146 ( 11.813 0.000 -4.154) 12.522 6.465 ( -16.391 0.000 -4.405) 16.973 6.626 ( 11.677 0.000 -4.322) 12.451 6.766 ( 7.703 0.000 1.569) 7.861 6.869 ( 5.732 0.000 -2.121) 6.112 6.888 ( 11.330 0.000 -3.722) 11.926 6.947 ( -2.008 0.000 -0.294) 2.030 7.270 ( -11.593 0.000 -3.406) 12.083 7.288 ( 13.125 0.000 0.258) 13.127 7.397 ( 2.233 0.000 -2.054) 3.034 7.418 ( 8.290 0.000 -14.662) 16.843 7.541 ( -5.908 0.000 -7.762) 9.755 7.774 ( -4.114 0.000 -8.330) 9.291 7.832 ( -9.564 0.000 -4.655) 10.637 7.837 ( 7.598 0.000 2.466) 7.988 7.980 ( -2.216 0.000 -2.078) 3.038 8.152 ( 15.582 0.000 -2.335) 15.756 8.222 ( 4.384 0.000 -3.359) 5.523 8.269 ( 5.450 0.000 1.934) 5.783 8.362 ( -9.629 0.000 -3.837) 10.365 8.371 ( -0.316 0.000 -2.316) 2.337 8.645 ( 2.521 0.000 -5.650) 6.186 8.706 ( -4.066 0.000 -5.481) 6.824 8.792 ( -28.361 0.000 -2.932) 28.512 9.099 ( 0.850 0.000 8.173) 8.218 9.118 ( 11.101 0.000 -12.128) 16.441 9.219 ( -9.718 0.000 7.322) 12.168 9.268 ( -2.856 0.000 -18.866) 19.081 9.552 ( 6.762 0.000 -3.176) 7.471 9.676 ( -5.426 0.000 -4.330) 6.942 9.840 ( 2.716 0.000 -6.163) 6.735 9.867 ( -0.246 0.000 -4.446) 4.453 10.023 ( 9.283 0.000 3.421) 9.894 10.248 ( 7.170 0.000 5.237) 8.879 10.251 ( -10.860 0.000 9.672) 14.542 10.432 ( -11.768 0.000 0.341) 11.773 10.438 ( 3.814 0.000 -4.796) 6.128 10.509 ( -2.335 0.000 -4.859) 5.391 10.683 ( 6.325 0.000 0.173) 6.327 10.762 ( 16.224 0.000 -3.129) 16.523 10.786 ( -3.937 0.000 -0.279) 3.947 10.943 ( 7.340 0.000 -3.265) 8.033 11.005 ( -2.203 0.000 4.970) 5.437 11.174 ( -11.439 0.000 2.417) 11.692 11.310 ( 0.995 0.000 -4.212) 4.328 11.362 ( -3.378 0.000 -4.670) 5.763 11.439 ( 5.848 0.000 -0.744) 5.896 11.532 ( 2.748 0.000 -12.984) 13.272 11.544 ( -3.800 0.000 1.503) 4.086 11.574 ( -0.861 0.000 -11.242) 11.275 12.034 ( 1.509 0.000 -2.629) 3.031 12.087 ( -3.322 0.000 -1.766) 3.762 12.134 ( 4.803 0.000 -3.541) 5.968 12.254 ( -5.812 0.000 1.499) 6.002 12.358 ( 7.269 0.000 4.679) 8.645 12.405 ( 1.105 0.000 1.566) 1.917 12.530 ( -5.672 0.000 4.462) 7.217 12.624 ( -13.048 0.000 11.867) 17.637 12.800 ( 5.795 0.000 1.088) 5.897 12.858 ( -1.284 0.000 2.945) 3.213 13.117 ( 14.819 0.000 -2.465) 15.022 13.207 ( 2.040 0.000 20.855) 20.955 13.211 ( 1.616 0.000 21.976) 22.035 13.411 ( -13.498 0.000 -4.738) 14.306 13.582 ( 16.243 0.000 -1.848) 16.348 13.837 ( -7.763 0.000 -9.075) 11.942 13.875 ( 0.463 0.000 2.088) 2.138 13.885 ( -0.440 0.000 1.521) 1.583 13.963 ( 2.484 0.000 0.324) 2.505 14.040 ( -4.687 0.000 4.028) 6.180 14.175 ( 2.255 0.000 8.827) 9.111 14.220 ( -2.230 0.000 9.035) 9.306 15.054 ( 10.413 0.000 -16.591) 19.588 15.241 ( -9.619 0.000 -10.708) 14.394 15.800 ( 0.957 0.000 -0.942) 1.343 15.842 ( -3.517 0.000 -0.624) 3.572 15.939 ( 4.549 0.000 -2.259) 5.079 16.078 ( -9.085 0.000 -6.173) 10.984 16.378 ( 4.516 0.000 -0.395) 4.533 16.443 ( -2.191 0.000 -0.213) 2.202 16.696 ( 8.872 0.000 -24.211) 25.786 16.798 ( -1.975 0.000 -17.718) 17.828 17.923 ( 8.056 0.000 15.135) 17.146 18.141 ( -15.385 0.000 23.271) 27.897 18.467 ( 0.101 0.000 -6.316) 6.317 18.481 ( -1.426 0.000 -7.875) 8.003 24.797 ( 1.070 0.000 5.037) 5.149 24.819 ( -1.211 0.000 5.012) 5.156 25.067 ( 1.515 0.000 3.703) 4.001 25.094 ( -1.142 0.000 3.729) 3.900 25.921 ( 1.553 0.000 2.412) 2.869 25.955 ( -1.815 0.000 2.090) 2.768 26.748 ( 16.289 0.000 -1.358) 16.345 27.076 ( -16.246 0.000 -2.732) 16.475 27.459 ( 7.480 0.000 -5.353) 9.198 27.610 ( -7.554 0.000 -6.298) 9.835 27.743 ( 17.948 0.000 -36.112) 40.327 27.978 ( -7.106 0.000 -24.318) 25.335 29.001 ( 3.791 0.000 13.979) 14.484 29.035 ( -0.283 0.000 9.248) 9.252 29.182 ( 10.213 0.000 21.079) 23.423 29.514 ( -23.777 0.000 35.317) 42.575 ======================= Grid point 40 (16/72) ======================= q-point: ( 0.00 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 27.600 31.683) 42.019 1.344 ( 0.000 32.507 36.210) 48.661 2.185 ( 0.000 49.414 61.166) 78.632 3.565 ( 0.000 19.528 11.178) 22.501 3.839 ( 0.000 -4.649 20.445) 20.967 4.250 ( 0.000 -13.852 11.371) 17.921 4.309 ( 0.000 -31.975 6.431) 32.615 4.551 ( 0.000 -1.378 0.342) 1.420 4.796 ( 0.000 3.758 -1.177) 3.938 4.807 ( 0.000 2.128 -5.379) 5.784 5.060 ( 0.000 -5.799 -0.312) 5.807 5.192 ( 0.000 7.019 -1.100) 7.104 5.275 ( 0.000 8.292 -4.180) 9.286 5.337 ( 0.000 10.946 -1.933) 11.115 5.435 ( 0.000 13.114 -2.481) 13.347 5.772 ( 0.000 -4.316 -5.477) 6.973 5.923 ( 0.000 -17.348 -1.496) 17.413 6.081 ( 0.000 -4.347 4.857) 6.518 6.213 ( 0.000 18.108 1.557) 18.175 6.234 ( 0.000 -12.828 -1.505) 12.916 6.489 ( 0.000 -7.103 4.934) 8.648 6.496 ( 0.000 0.497 -1.038) 1.151 6.681 ( 0.000 18.503 -2.071) 18.618 6.690 ( 0.000 -3.865 2.974) 4.876 6.742 ( 0.000 1.351 4.164) 4.377 6.968 ( 0.000 -3.602 1.779) 4.017 7.149 ( 0.000 4.506 -9.970) 10.941 7.280 ( 0.000 -0.989 -3.339) 3.482 7.573 ( 0.000 9.683 -4.325) 10.605 7.602 ( 0.000 -10.449 -0.664) 10.471 7.694 ( 0.000 -1.843 -4.464) 4.830 7.769 ( 0.000 2.979 -0.372) 3.003 7.841 ( 0.000 -3.796 -0.142) 3.799 7.934 ( 0.000 -1.387 3.066) 3.365 8.048 ( 0.000 -1.083 -3.049) 3.236 8.175 ( 0.000 -13.606 -8.964) 16.294 8.228 ( 0.000 -6.322 0.974) 6.397 8.514 ( 0.000 9.996 -4.968) 11.163 8.624 ( 0.000 -3.721 2.635) 4.560 8.655 ( 0.000 -1.683 -6.796) 7.001 8.662 ( 0.000 5.200 -7.394) 9.040 8.808 ( 0.000 -1.873 -3.982) 4.401 8.990 ( 0.000 -5.440 -7.235) 9.052 9.223 ( 0.000 -4.409 -0.958) 4.512 9.258 ( 0.000 -3.635 -11.531) 12.091 9.389 ( 0.000 4.101 3.201) 5.203 9.604 ( 0.000 -8.005 -7.543) 10.999 9.726 ( 0.000 -0.809 0.362) 0.886 9.754 ( 0.000 -4.476 -3.244) 5.528 9.844 ( 0.000 7.524 -7.825) 10.856 9.920 ( 0.000 -13.018 0.769) 13.041 10.104 ( 0.000 13.292 8.877) 15.984 10.251 ( 0.000 1.318 -8.277) 8.381 10.301 ( 0.000 2.208 -0.757) 2.334 10.418 ( 0.000 -7.906 -2.314) 8.238 10.551 ( 0.000 0.600 -2.903) 2.964 10.600 ( 0.000 0.095 -1.296) 1.299 10.708 ( 0.000 2.532 3.090) 3.995 10.854 ( 0.000 -3.551 2.152) 4.152 10.866 ( 0.000 3.778 -2.116) 4.330 11.139 ( 0.000 0.784 1.971) 2.121 11.183 ( 0.000 8.982 -16.063) 18.404 11.280 ( 0.000 4.052 0.958) 4.164 11.378 ( 0.000 1.581 -7.454) 7.620 11.384 ( 0.000 -3.675 -2.716) 4.569 11.533 ( 0.000 2.254 5.660) 6.093 11.721 ( 0.000 0.283 -3.034) 3.047 11.729 ( 0.000 5.701 -6.294) 8.493 12.014 ( 0.000 -10.937 -6.349) 12.646 12.022 ( 0.000 2.736 -4.473) 5.243 12.146 ( 0.000 -4.299 -4.254) 6.048 12.263 ( 0.000 0.511 0.345) 0.617 12.409 ( 0.000 1.601 -8.069) 8.227 12.432 ( 0.000 6.046 1.667) 6.272 12.564 ( 0.000 1.276 -7.448) 7.556 12.706 ( 0.000 0.018 6.608) 6.608 12.845 ( 0.000 6.313 7.411) 9.735 12.857 ( 0.000 0.306 1.826) 1.851 12.982 ( 0.000 0.151 12.669) 12.670 12.993 ( 0.000 5.315 5.777) 7.850 13.107 ( 0.000 -3.405 11.272) 11.775 13.202 ( 0.000 -5.349 13.703) 14.710 13.375 ( 0.000 -24.889 25.658) 35.746 13.688 ( 0.000 -4.687 -0.417) 4.705 13.786 ( 0.000 -3.332 0.884) 3.447 13.884 ( 0.000 -0.611 1.613) 1.725 14.049 ( 0.000 -3.610 2.396) 4.333 14.151 ( 0.000 14.953 -0.316) 14.957 14.199 ( 0.000 -5.750 6.247) 8.490 14.469 ( 0.000 16.563 1.832) 16.664 14.792 ( 0.000 11.464 -19.656) 22.754 15.596 ( 0.000 -4.400 -6.669) 7.990 15.871 ( 0.000 -0.411 -3.532) 3.556 16.042 ( 0.000 2.813 -4.736) 5.509 16.112 ( 0.000 -5.234 -4.929) 7.190 16.133 ( 0.000 20.692 -16.840) 26.678 16.150 ( 0.000 -3.937 0.225) 3.943 16.434 ( 0.000 8.108 -10.013) 12.884 16.502 ( 0.000 2.513 -1.208) 2.788 16.781 ( 0.000 1.541 -3.232) 3.580 17.792 ( 0.000 2.969 5.151) 5.945 18.413 ( 0.000 -4.479 -5.067) 6.762 18.449 ( 0.000 -5.232 -10.168) 11.435 18.582 ( 0.000 -38.568 31.659) 49.898 24.791 ( 0.000 2.031 5.101) 5.490 24.873 ( 0.000 0.982 5.132) 5.225 24.992 ( 0.000 -1.143 4.292) 4.442 25.098 ( 0.000 -1.709 3.748) 4.119 26.114 ( 0.000 11.471 0.779) 11.497 26.380 ( 0.000 0.501 -0.807) 0.950 26.452 ( 0.000 -0.860 -1.666) 1.875 26.726 ( 0.000 49.358 -44.553) 66.492 27.231 ( 0.000 -6.294 -4.386) 7.672 27.567 ( 0.000 2.179 -6.297) 6.663 27.783 ( 0.000 0.009 -9.447) 9.447 27.979 ( 0.000 -5.371 -7.428) 9.166 28.848 ( 0.000 1.903 13.666) 13.797 29.020 ( 0.000 0.733 9.858) 9.885 29.085 ( 0.000 -1.998 9.943) 10.142 30.153 ( 0.000 -44.563 39.994) 59.878 ======================= Grid point 41 (17/72) ======================= q-point: ( 0.20 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 27.519 23.795 26.093) 44.770 1.620 ( 29.892 23.387 28.623) 47.537 2.569 ( 38.313 40.984 49.546) 74.849 3.289 ( -24.583 20.249 11.856) 33.984 3.591 ( -26.345 9.601 20.753) 34.885 4.090 ( -2.496 -30.044 4.891) 30.542 4.379 ( 6.418 -30.153 5.137) 31.254 4.542 ( -9.458 -8.864 2.206) 13.149 4.821 ( 7.329 3.948 2.797) 8.783 4.999 ( 0.555 -4.235 -1.716) 4.603 5.087 ( 5.951 3.729 -0.629) 7.051 5.179 ( -0.775 7.193 -1.122) 7.321 5.241 ( -4.100 6.154 -2.505) 7.807 5.276 ( -1.506 12.410 0.151) 12.502 5.392 ( -0.903 15.130 -7.930) 17.106 5.692 ( -9.424 -4.007 4.303) 11.108 5.859 ( -13.821 10.284 0.016) 17.228 5.912 ( -22.218 12.309 9.257) 27.034 6.174 ( 10.344 -3.335 -1.560) 10.980 6.302 ( 11.283 -8.544 0.086) 14.153 6.428 ( -5.615 13.330 0.818) 14.487 6.577 ( 14.864 -22.552 0.188) 27.010 6.687 ( -0.525 0.767 -1.180) 1.502 6.792 ( 4.195 4.409 -2.839) 6.715 6.885 ( -5.173 -5.170 1.816) 7.535 6.893 ( 10.458 -4.432 3.824) 11.985 7.263 ( 10.599 5.199 -10.810) 16.007 7.371 ( 5.222 -3.137 -5.497) 8.205 7.517 ( -7.217 1.973 -4.855) 8.919 7.620 ( -0.848 -5.429 -5.450) 7.739 7.679 ( -2.447 -2.445 -6.986) 7.796 7.770 ( 10.043 4.274 2.772) 11.261 7.868 ( 1.358 -1.040 2.175) 2.767 7.894 ( -2.219 -4.868 2.737) 6.009 8.038 ( 0.329 -0.607 -4.034) 4.092 8.156 ( -4.376 -6.407 -0.953) 7.817 8.252 ( -0.142 -11.739 -1.481) 11.833 8.374 ( -13.413 0.749 -2.911) 13.746 8.537 ( -7.609 -1.206 -5.361) 9.386 8.620 ( -1.476 2.275 -8.331) 8.761 8.695 ( -4.740 -8.089 1.268) 9.461 8.817 ( 14.049 -2.760 -2.860) 14.600 9.105 ( 4.122 3.890 -13.517) 14.657 9.194 ( -5.189 0.824 1.357) 5.427 9.271 ( 0.236 -2.824 -4.017) 4.916 9.401 ( -17.076 -2.043 -2.139) 17.330 9.472 ( 1.777 -1.789 -11.489) 11.762 9.676 ( 4.390 -2.922 -0.723) 5.323 9.855 ( 6.801 0.143 -6.856) 9.658 9.880 ( 3.362 -1.489 -7.063) 7.963 9.988 ( -5.399 6.146 4.071) 9.137 10.094 ( 5.926 -0.564 0.115) 5.954 10.281 ( 7.765 3.744 3.105) 9.162 10.373 ( 3.119 -0.814 -4.973) 5.927 10.464 ( 5.354 -5.596 -2.819) 8.242 10.544 ( -4.943 -0.612 4.437) 6.670 10.595 ( 1.609 0.464 -1.121) 2.015 10.745 ( 3.379 -0.151 -2.207) 4.039 10.817 ( -9.963 3.615 -3.193) 11.069 10.932 ( 1.688 -0.249 4.803) 5.097 10.975 ( 2.185 8.476 -7.199) 11.333 11.280 ( 1.627 -1.611 -2.775) 3.598 11.292 ( -1.135 -3.025 -2.485) 4.076 11.328 ( -1.430 -2.834 -1.637) 3.572 11.403 ( 2.241 3.330 -6.136) 7.332 11.507 ( -2.154 0.894 1.922) 3.022 11.660 ( -2.831 5.836 -5.234) 8.335 11.719 ( -3.681 6.741 -2.380) 8.041 12.002 ( -1.564 -0.001 -4.627) 4.885 12.043 ( 3.718 -8.455 -7.023) 11.603 12.119 ( -0.870 -2.535 -1.023) 2.869 12.232 ( -1.476 -0.325 1.993) 2.502 12.316 ( -1.171 3.209 -1.553) 3.753 12.550 ( -7.988 2.804 2.826) 8.925 12.628 ( 14.239 4.045 0.673) 14.818 12.721 ( -4.287 4.262 3.845) 7.164 12.789 ( -3.865 -0.370 3.456) 5.198 12.878 ( 1.565 1.107 3.034) 3.589 12.927 ( 0.937 -1.345 3.450) 3.820 13.099 ( 6.655 0.832 10.988) 12.873 13.154 ( 2.677 -1.408 18.238) 18.487 13.297 ( 6.263 -3.495 12.814) 14.685 13.457 ( 9.091 -21.797 1.628) 23.673 13.613 ( -6.632 -4.793 -1.042) 8.248 13.822 ( 3.366 -4.800 2.221) 6.270 13.891 ( 0.996 -1.330 3.065) 3.487 14.044 ( -0.540 -3.545 3.017) 4.686 14.134 ( -1.784 9.453 1.183) 9.692 14.191 ( -0.662 -0.983 4.928) 5.068 14.371 ( -6.336 18.190 -0.745) 19.276 14.913 ( 8.187 4.170 -15.216) 17.775 15.448 ( -12.183 -2.121 -5.825) 13.670 15.828 ( -2.168 1.161 -2.726) 3.671 15.959 ( -5.107 2.333 -3.683) 6.715 16.001 ( -1.635 7.030 -2.116) 7.522 16.196 ( 1.204 -4.527 -2.845) 5.480 16.330 ( 2.624 0.602 -8.234) 8.663 16.386 ( -0.858 5.720 -5.105) 7.715 16.589 ( 9.169 6.011 -12.754) 16.819 16.819 ( 2.578 1.979 -7.859) 8.505 17.823 ( 3.050 2.172 6.519) 7.518 18.322 ( -14.303 -15.768 21.115) 29.984 18.421 ( -0.701 -5.846 -3.671) 6.939 18.463 ( -2.757 -8.370 -3.242) 9.390 24.799 ( 0.793 2.085 5.047) 5.518 24.860 ( -0.995 1.693 5.007) 5.378 25.017 ( 1.859 -1.661 3.973) 4.691 25.094 ( -0.484 -1.692 3.764) 4.155 26.107 ( -0.658 12.015 0.843) 12.062 26.196 ( -9.124 19.366 -2.127) 21.513 26.484 ( 10.034 0.215 -0.693) 10.060 27.189 ( 12.455 3.694 -23.894) 27.197 27.275 ( 12.152 -1.192 -16.787) 20.758 27.495 ( -2.662 4.250 -10.791) 11.899 27.736 ( -4.601 0.100 -9.330) 10.403 27.988 ( -0.297 -5.653 -12.548) 13.765 28.897 ( 4.861 1.020 16.229) 16.972 29.025 ( 0.393 0.276 9.643) 9.655 29.085 ( 0.290 -1.995 10.950) 11.134 29.833 ( -24.651 -25.332 42.360) 55.170 ======================= Grid point 42 (18/72) ======================= q-point: ( 0.40 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 31.255 22.355 19.792) 43.224 2.289 ( 35.200 16.243 24.576) 45.900 2.728 ( -31.429 20.154 14.492) 40.050 2.968 ( -33.957 13.832 21.178) 42.343 3.534 ( 54.199 23.256 28.812) 65.640 4.141 ( 5.215 -26.622 3.444) 27.346 4.310 ( -11.779 -20.269 3.604) 23.719 4.450 ( -13.518 -11.050 6.120) 18.501 4.789 ( -15.336 -6.725 10.806) 19.929 4.871 ( -9.849 -16.323 -0.086) 19.065 5.046 ( 4.012 9.351 -0.144) 10.176 5.136 ( -3.449 11.723 0.330) 12.224 5.173 ( -1.216 6.954 0.719) 7.096 5.205 ( -3.361 11.124 -1.899) 11.774 5.422 ( -2.065 11.159 5.904) 12.792 5.442 ( -2.839 16.156 2.546) 16.600 5.729 ( 1.675 20.123 5.388) 20.900 5.820 ( -0.485 12.970 -1.156) 13.031 6.178 ( 4.805 3.750 -4.559) 7.611 6.406 ( -9.291 -5.863 -4.396) 11.833 6.537 ( 8.229 -6.554 -2.189) 10.745 6.686 ( -5.923 -11.280 -3.598) 13.238 6.787 ( 13.192 -3.004 0.858) 13.557 6.882 ( 3.757 0.405 -2.999) 4.824 6.994 ( 16.610 -6.643 0.399) 17.893 7.081 ( 11.252 -7.151 1.658) 13.435 7.318 ( -8.646 -1.417 -4.595) 9.893 7.385 ( -3.644 -1.286 -6.894) 7.903 7.487 ( 0.734 0.704 -8.291) 8.354 7.550 ( -10.212 -7.544 -6.269) 14.160 7.626 ( 0.249 -7.098 -2.394) 7.495 7.720 ( -6.701 -2.380 -4.763) 8.559 7.915 ( 4.077 -3.748 0.264) 5.544 7.940 ( 2.560 0.526 2.651) 3.722 8.125 ( 1.120 -9.112 -4.579) 10.259 8.168 ( 2.379 -1.466 -1.129) 3.014 8.204 ( 1.937 -11.077 0.841) 11.277 8.261 ( 2.223 -0.085 -0.637) 2.314 8.392 ( -0.341 -2.927 -3.998) 4.966 8.594 ( -6.641 -10.403 -1.342) 12.415 8.640 ( 3.849 4.703 -4.664) 7.661 8.885 ( -22.140 7.846 -1.613) 23.544 9.047 ( 4.641 -5.870 0.327) 7.490 9.079 ( -2.872 0.351 -2.806) 4.030 9.154 ( 1.747 -0.094 -11.588) 11.719 9.271 ( -5.748 -1.534 -17.881) 18.844 9.623 ( 9.657 6.781 -1.421) 11.885 9.743 ( -1.383 5.786 -0.387) 5.962 9.878 ( 1.610 -0.089 -2.950) 3.362 9.924 ( -0.331 2.069 -3.467) 4.051 10.030 ( 8.635 3.568 -2.286) 9.618 10.181 ( -1.532 -1.620 2.847) 3.616 10.328 ( -0.637 2.630 7.946) 8.394 10.397 ( 1.240 -2.680 -3.842) 4.846 10.469 ( -3.844 -3.314 -4.059) 6.499 10.505 ( -6.730 -0.480 -1.468) 6.905 10.650 ( 6.556 1.474 -3.548) 7.599 10.750 ( 3.817 -0.586 -0.295) 3.873 10.781 ( 4.672 -0.119 0.430) 4.693 10.950 ( -4.473 -3.770 5.173) 7.809 11.050 ( 5.813 8.360 -5.818) 11.727 11.197 ( -7.106 -1.284 -3.956) 8.234 11.315 ( 1.924 1.304 -1.663) 2.858 11.338 ( 0.598 -0.698 0.174) 0.935 11.428 ( 1.061 -0.848 -0.243) 1.380 11.478 ( -2.048 -3.814 2.541) 5.020 11.618 ( -0.192 5.143 -12.513) 13.530 11.650 ( -2.608 6.160 -10.005) 12.035 12.010 ( 2.607 -1.174 -0.890) 2.994 12.077 ( -3.182 -1.213 -0.279) 3.417 12.137 ( 4.718 -2.433 -3.623) 6.427 12.221 ( -1.905 -3.685 2.298) 4.742 12.365 ( 5.726 2.756 3.210) 7.119 12.436 ( -1.430 2.762 2.123) 3.766 12.575 ( -6.673 7.780 1.806) 10.408 12.612 ( -10.491 0.468 8.469) 13.491 12.840 ( 4.537 2.098 0.649) 5.041 12.885 ( -0.963 1.485 2.995) 3.479 13.083 ( 13.852 -3.565 0.097) 14.303 13.193 ( 1.694 -1.572 19.161) 19.300 13.199 ( 2.420 -1.199 18.450) 18.647 13.371 ( -9.609 -4.993 -3.574) 11.403 13.494 ( 6.394 -4.397 0.023) 7.760 13.587 ( -0.197 -12.802 -4.825) 13.682 13.910 ( 4.649 -2.739 2.868) 6.110 13.939 ( 3.618 -5.573 5.229) 8.455 14.022 ( -1.341 -4.144 5.001) 6.632 14.074 ( -4.384 -1.738 4.422) 6.465 14.190 ( 1.204 9.913 1.377) 10.081 14.257 ( -5.387 16.502 -0.725) 17.374 15.062 ( 7.529 -0.908 -11.888) 14.101 15.226 ( -9.818 -1.976 -8.110) 12.886 15.820 ( 1.315 1.286 -2.384) 3.011 15.871 ( -3.757 1.973 -2.776) 5.071 16.017 ( 3.153 5.690 -1.041) 6.588 16.119 ( -6.651 1.784 -3.021) 7.520 16.359 ( 2.397 0.852 -0.573) 2.608 16.392 ( -0.677 -1.525 -1.407) 2.183 16.763 ( 6.860 4.238 -18.390) 20.080 16.839 ( -1.093 2.759 -14.186) 14.493 17.910 ( 6.019 -0.318 11.075) 12.609 18.066 ( -10.418 -5.634 18.913) 22.315 18.418 ( 0.252 -4.975 -6.536) 8.218 18.431 ( -1.129 -5.077 -8.213) 9.721 24.818 ( 1.072 2.150 4.945) 5.497 24.839 ( -1.086 2.076 4.901) 5.432 25.051 ( 1.618 -1.610 3.858) 4.482 25.078 ( -1.112 -1.630 3.808) 4.289 26.095 ( -0.380 13.592 0.892) 13.627 26.104 ( -1.750 16.258 0.459) 16.359 26.744 ( 15.749 -0.502 -1.322) 15.812 27.053 ( -14.591 -2.785 -2.436) 15.053 27.463 ( 6.541 0.758 -6.551) 9.289 27.600 ( -5.950 -0.796 -8.469) 10.381 27.730 ( 13.423 -1.425 -32.847) 35.513 27.929 ( -6.341 -5.119 -22.751) 24.167 29.000 ( 3.605 -0.121 14.936) 15.366 29.029 ( -0.261 -0.461 10.089) 10.103 29.140 ( 7.835 -3.779 20.193) 21.987 29.402 ( -18.226 -10.029 34.131) 39.971 ======================= Grid point 45 (19/72) ======================= q-point: ( 0.00 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 0.000 36.579 19.765) 41.577 2.036 ( 0.000 39.077 23.753) 45.730 3.177 ( 0.000 1.242 23.347) 23.380 3.365 ( 0.000 23.589 23.313) 33.165 3.610 ( 0.000 -39.866 9.377) 40.954 4.103 ( 0.000 22.981 6.628) 23.918 4.415 ( 0.000 20.371 17.690) 26.980 4.534 ( 0.000 -0.759 -0.548) 0.936 4.811 ( 0.000 -2.098 -1.072) 2.356 4.910 ( 0.000 5.645 -1.132) 5.758 4.926 ( 0.000 -5.201 0.435) 5.219 5.208 ( 0.000 -16.457 5.141) 17.241 5.366 ( 0.000 -1.628 -11.488) 11.603 5.419 ( 0.000 -8.297 -3.974) 9.200 5.620 ( 0.000 0.993 -6.879) 6.951 5.621 ( 0.000 -5.786 5.511) 7.991 5.773 ( 0.000 7.925 7.516) 10.922 5.781 ( 0.000 -15.407 2.356) 15.586 6.054 ( 0.000 4.953 0.845) 5.025 6.497 ( 0.000 -3.334 10.808) 11.311 6.528 ( 0.000 3.901 -0.178) 3.905 6.593 ( 0.000 19.558 1.990) 19.659 6.678 ( 0.000 3.859 -5.031) 6.341 6.858 ( 0.000 8.924 0.605) 8.945 6.888 ( 0.000 -3.004 2.087) 3.658 7.053 ( 0.000 18.443 -0.833) 18.462 7.149 ( 0.000 -8.594 -12.917) 15.515 7.261 ( 0.000 -15.865 -9.052) 18.266 7.270 ( 0.000 -0.031 -8.222) 8.222 7.584 ( 0.000 -6.671 -6.400) 9.244 7.647 ( 0.000 -3.927 -6.704) 7.769 7.722 ( 0.000 -12.549 7.841) 14.797 7.784 ( 0.000 -6.710 -0.868) 6.765 7.873 ( 0.000 -9.478 1.106) 9.542 7.941 ( 0.000 -3.839 -0.058) 3.839 7.944 ( 0.000 -2.484 8.902) 9.242 8.290 ( 0.000 9.629 -3.426) 10.221 8.462 ( 0.000 -8.906 4.882) 10.156 8.566 ( 0.000 -4.152 4.306) 5.982 8.616 ( 0.000 -2.841 -2.812) 3.997 8.824 ( 0.000 13.646 -6.945) 15.311 8.952 ( 0.000 14.119 -7.645) 16.056 9.017 ( 0.000 5.555 -4.954) 7.443 9.204 ( 0.000 -2.322 -12.685) 12.896 9.205 ( 0.000 3.025 -2.654) 4.024 9.442 ( 0.000 -9.088 -10.355) 13.778 9.473 ( 0.000 2.700 -4.575) 5.312 9.641 ( 0.000 -6.237 -3.261) 7.038 9.665 ( 0.000 -5.105 -6.087) 7.944 9.800 ( 0.000 4.092 2.881) 5.005 9.947 ( 0.000 -4.325 -8.591) 9.618 10.104 ( 0.000 -6.779 -2.183) 7.121 10.261 ( 0.000 -0.629 -8.353) 8.377 10.316 ( 0.000 -3.253 -0.303) 3.267 10.456 ( 0.000 11.053 5.082) 12.166 10.544 ( 0.000 0.453 0.589) 0.743 10.617 ( 0.000 0.569 -2.517) 2.581 10.716 ( 0.000 -1.578 3.900) 4.207 10.790 ( 0.000 -1.359 -3.221) 3.496 10.922 ( 0.000 -1.405 -4.655) 4.862 11.139 ( 0.000 -6.802 2.180) 7.142 11.178 ( 0.000 2.104 1.848) 2.800 11.216 ( 0.000 -3.546 -3.211) 4.784 11.393 ( 0.000 -1.451 -6.507) 6.667 11.480 ( 0.000 8.760 -3.650) 9.490 11.591 ( 0.000 4.151 4.266) 5.953 11.725 ( 0.000 -2.359 -16.402) 16.570 11.810 ( 0.000 3.071 -5.823) 6.583 11.812 ( 0.000 -7.430 4.696) 8.790 12.009 ( 0.000 -8.767 -3.759) 9.539 12.154 ( 0.000 9.086 -8.263) 12.281 12.291 ( 0.000 1.604 -3.493) 3.844 12.455 ( 0.000 3.808 -4.953) 6.248 12.568 ( 0.000 -1.215 -4.131) 4.306 12.569 ( 0.000 7.197 3.969) 8.219 12.732 ( 0.000 3.920 14.427) 14.950 12.829 ( 0.000 -4.277 4.661) 6.325 12.965 ( 0.000 3.853 6.565) 7.612 12.967 ( 0.000 -2.530 10.968) 11.256 13.018 ( 0.000 -3.069 6.135) 6.860 13.047 ( 0.000 -2.785 6.297) 6.885 13.101 ( 0.000 -7.988 20.843) 22.321 13.191 ( 0.000 8.663 5.436) 10.227 13.555 ( 0.000 -8.756 -0.160) 8.757 13.762 ( 0.000 0.668 2.034) 2.141 13.887 ( 0.000 1.536 2.422) 2.868 13.953 ( 0.000 -6.305 1.116) 6.403 14.071 ( 0.000 -7.198 3.971) 8.221 14.467 ( 0.000 16.717 -3.036) 16.990 14.836 ( 0.000 20.402 1.488) 20.456 14.845 ( 0.000 -2.231 -12.533) 12.730 15.466 ( 0.000 -10.043 -5.533) 11.466 15.864 ( 0.000 0.617 -1.465) 1.589 16.002 ( 0.000 -5.756 -3.385) 6.677 16.065 ( 0.000 -1.060 -1.103) 1.530 16.070 ( 0.000 -3.728 1.912) 4.190 16.423 ( 0.000 9.441 -12.933) 16.012 16.542 ( 0.000 1.159 -3.324) 3.520 16.609 ( 0.000 8.936 -2.690) 9.332 16.795 ( 0.000 -0.662 -2.679) 2.760 17.902 ( 0.000 8.554 -2.468) 8.903 18.167 ( 0.000 -7.571 16.050) 17.746 18.292 ( 0.000 -8.218 -4.029) 9.152 18.311 ( 0.000 -8.508 -9.210) 12.539 24.843 ( 0.000 3.208 4.884) 5.844 24.916 ( 0.000 3.201 4.712) 5.697 24.959 ( 0.000 -2.311 4.415) 4.983 25.052 ( 0.000 -3.108 3.969) 5.041 26.383 ( 0.000 4.839 -1.343) 5.022 26.411 ( 0.000 13.681 -0.623) 13.695 26.431 ( 0.000 -1.273 -1.365) 1.867 27.048 ( 0.000 -12.820 -4.234) 13.501 27.379 ( 0.000 21.730 -36.853) 42.782 27.630 ( 0.000 4.384 -9.137) 10.135 27.770 ( 0.000 -1.923 -15.851) 15.967 27.846 ( 0.000 -7.901 -6.296) 10.103 28.898 ( 0.000 3.219 12.318) 12.732 29.031 ( 0.000 -2.916 9.088) 9.544 29.064 ( 0.000 3.736 17.740) 18.129 29.515 ( 0.000 -23.345 39.139) 45.573 ======================= Grid point 46 (20/72) ======================= q-point: ( 0.20 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 24.619 29.141 16.592) 41.600 2.216 ( 17.845 35.883 21.276) 45.373 3.285 ( 8.321 -23.023 13.565) 27.987 3.570 ( 21.075 48.224 27.992) 59.610 3.705 ( 9.326 -37.544 8.605) 39.630 3.773 ( -25.169 18.436 8.288) 32.282 3.950 ( -29.085 15.462 10.801) 34.665 4.354 ( -21.725 -10.799 4.122) 24.609 4.759 ( -14.653 -19.102 0.389) 24.078 4.990 ( 13.304 12.837 3.875) 18.889 5.159 ( 8.508 -0.257 -0.227) 8.514 5.280 ( 8.875 0.684 2.262) 9.184 5.360 ( 4.377 6.516 -5.269) 9.454 5.493 ( -2.747 8.647 -0.839) 9.112 5.602 ( 3.033 4.065 -2.046) 5.469 5.733 ( 8.849 1.150 -3.641) 9.637 5.820 ( 7.141 -13.787 2.916) 15.798 6.018 ( 15.680 -7.420 3.490) 17.694 6.093 ( -2.215 -0.318 0.690) 2.342 6.194 ( -12.091 11.584 5.602) 17.657 6.477 ( -7.890 13.012 4.643) 15.910 6.644 ( -1.359 3.765 -4.581) 6.083 6.683 ( -1.166 -4.767 -0.909) 4.991 6.791 ( -4.189 -0.602 0.087) 4.233 6.831 ( -3.057 5.087 2.453) 6.422 6.964 ( -1.714 6.416 0.149) 6.643 7.206 ( -0.302 -17.423 -7.040) 18.794 7.310 ( 1.840 -6.581 -6.394) 9.358 7.360 ( 9.359 -2.987 -9.601) 13.737 7.544 ( -4.685 -3.897 -6.066) 8.598 7.644 ( -4.352 -2.287 -1.401) 5.112 7.666 ( -0.984 -11.153 0.017) 11.197 7.766 ( 3.460 -8.443 5.632) 10.722 7.854 ( -1.951 -2.952 1.834) 3.985 7.923 ( -0.067 -6.426 -0.683) 6.463 8.007 ( 0.275 -8.445 2.928) 8.943 8.242 ( -3.928 5.434 -1.714) 6.920 8.279 ( -13.439 -3.719 -0.141) 13.944 8.518 ( -5.267 -4.958 2.571) 7.677 8.575 ( -8.773 -2.512 0.064) 9.125 8.810 ( 2.945 13.680 -5.554) 15.056 8.850 ( 4.398 8.722 -7.358) 12.230 9.117 ( -5.085 -3.908 -12.416) 13.974 9.142 ( -3.065 -2.706 -8.861) 9.759 9.367 ( -0.053 4.491 -12.601) 13.377 9.423 ( 8.013 12.131 -4.768) 15.301 9.528 ( -1.435 3.601 -2.088) 4.403 9.644 ( 8.623 1.163 -0.194) 8.703 9.771 ( 10.475 -6.714 -4.940) 13.387 9.843 ( 3.128 -1.576 -4.528) 5.725 9.987 ( 2.356 -10.229 -6.095) 12.138 10.162 ( -4.426 3.314 -1.483) 5.724 10.186 ( 5.548 -5.172 -2.672) 8.042 10.305 ( -2.745 -7.894 -1.608) 8.511 10.477 ( 2.349 2.002 1.036) 3.255 10.539 ( -3.501 1.806 6.584) 7.672 10.648 ( 5.832 5.251 -3.024) 8.410 10.750 ( 3.286 1.328 0.144) 3.548 10.882 ( 3.414 -1.567 -0.895) 3.861 10.900 ( -4.277 0.368 -2.962) 5.216 11.037 ( -2.152 -0.752 -0.998) 2.489 11.133 ( -2.501 -5.864 -1.463) 6.541 11.260 ( 3.157 -2.178 -0.864) 3.932 11.339 ( -4.412 -3.320 -3.358) 6.462 11.468 ( -0.496 7.332 -6.871) 10.060 11.545 ( -2.110 2.825 -0.147) 3.529 11.745 ( -3.943 0.686 -3.457) 5.289 11.815 ( -0.308 2.245 1.233) 2.580 11.883 ( 8.002 -4.381 -5.435) 10.620 11.979 ( -1.523 -5.341 -3.344) 6.483 12.143 ( -1.358 7.188 -4.981) 8.850 12.256 ( -3.129 1.807 -1.854) 4.061 12.434 ( 1.616 8.165 -3.227) 8.927 12.597 ( -5.980 3.157 8.217) 10.642 12.672 ( 3.724 -0.466 -3.418) 5.076 12.704 ( 6.036 -1.012 2.586) 6.644 12.844 ( -0.862 -0.998 5.182) 5.347 12.884 ( -2.138 -4.211 4.177) 6.304 12.955 ( -2.460 7.442 3.828) 8.723 13.083 ( 4.044 -3.117 7.083) 8.732 13.127 ( 2.777 -1.552 15.977) 16.291 13.139 ( 10.705 -9.410 7.729) 16.213 13.266 ( 5.038 1.917 8.595) 10.146 13.504 ( -4.814 -6.573 0.025) 8.148 13.777 ( 1.628 -0.321 2.236) 2.785 13.877 ( -0.878 0.324 2.963) 3.108 13.945 ( -1.022 -6.512 2.577) 7.078 14.040 ( -3.126 -6.764 4.121) 8.515 14.475 ( 0.959 17.164 -2.843) 17.424 14.733 ( -5.874 17.065 -3.598) 18.403 14.922 ( 3.553 -0.585 -6.934) 7.813 15.352 ( -10.158 -8.407 -4.930) 14.077 15.845 ( -1.159 1.489 -1.072) 2.170 15.979 ( -3.939 -0.576 -2.454) 4.676 16.005 ( -0.471 -4.263 -0.634) 4.336 16.100 ( -0.351 -5.639 0.788) 5.705 16.427 ( 1.264 8.771 -5.926) 10.660 16.567 ( -2.987 10.334 -0.948) 10.799 16.647 ( 7.794 -0.442 -8.806) 11.768 16.827 ( 2.138 -1.822 -4.484) 5.292 17.916 ( 1.408 7.788 -1.602) 8.075 18.109 ( -4.765 -3.531 12.386) 13.733 18.290 ( -0.227 -8.208 -4.551) 9.388 18.310 ( -0.401 -8.865 -8.462) 12.262 24.853 ( 0.931 3.330 4.823) 5.934 24.910 ( -0.607 3.341 4.641) 5.750 24.977 ( 1.536 -2.585 4.298) 5.246 25.047 ( -0.447 -3.103 3.978) 5.065 26.404 ( 0.350 17.413 -1.357) 17.469 26.428 ( -0.228 6.252 -1.217) 6.373 26.489 ( 9.142 0.429 -0.678) 9.177 27.044 ( -1.230 -12.643 -3.804) 13.260 27.450 ( 5.215 11.436 -26.961) 29.747 27.589 ( -1.838 5.503 -14.753) 15.853 27.726 ( -4.184 -1.581 -15.479) 16.112 27.844 ( -0.903 -8.815 -9.974) 13.341 28.927 ( 2.963 2.162 14.423) 14.882 29.031 ( 0.080 -2.164 9.943) 10.176 29.056 ( -0.600 2.204 16.995) 17.148 29.407 ( -9.620 -17.685 36.334) 41.539 ======================= Grid point 47 (21/72) ======================= q-point: ( 0.40 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 28.893 24.542 13.004) 40.077 2.694 ( 29.731 26.672 16.677) 43.283 3.150 ( -28.170 21.882 9.578) 36.934 3.302 ( -30.928 18.927 13.620) 38.734 3.582 ( 11.993 -24.472 8.215) 28.464 3.914 ( -16.082 -21.335 5.496) 27.277 3.971 ( 11.044 -30.697 6.701) 33.304 4.147 ( 17.256 16.628 15.694) 28.646 4.494 ( 3.435 -2.706 11.508) 12.311 5.073 ( -26.280 28.647 13.779) 41.245 5.241 ( 3.183 9.322 -1.450) 9.957 5.298 ( 4.388 5.032 -2.731) 7.214 5.347 ( -1.243 8.338 -0.034) 8.430 5.404 ( -5.997 9.925 -1.257) 11.664 5.709 ( 1.430 12.912 3.687) 13.504 5.741 ( -0.293 10.245 6.882) 12.346 5.993 ( 8.462 6.265 -4.557) 11.473 6.034 ( 8.189 3.559 -0.865) 8.971 6.220 ( 2.459 -3.457 -2.332) 4.841 6.275 ( -2.149 -5.756 -4.100) 7.387 6.409 ( 4.561 -5.785 1.504) 7.519 6.536 ( -6.951 -2.720 -1.584) 7.631 6.678 ( 7.876 -1.044 -0.564) 7.965 6.731 ( 5.766 -8.290 2.597) 10.427 6.900 ( -5.117 -5.131 -0.195) 7.249 7.008 ( 12.244 -5.050 -2.333) 13.449 7.076 ( -16.031 -25.650 -2.118) 30.321 7.236 ( -9.403 -7.453 -4.476) 12.806 7.434 ( -2.642 1.205 -5.424) 6.152 7.459 ( -3.488 -1.182 -1.918) 4.152 7.593 ( 5.521 -4.284 -3.569) 7.847 7.680 ( -2.049 -4.221 0.808) 4.761 7.838 ( 6.510 0.049 2.541) 6.988 7.912 ( 3.914 -7.779 1.987) 8.932 7.938 ( 0.498 -8.910 -0.967) 8.977 7.969 ( -2.829 -5.649 -1.378) 6.467 8.121 ( 2.758 -2.553 0.766) 3.835 8.230 ( 1.857 -3.103 -0.368) 3.635 8.333 ( -13.382 -1.953 -2.038) 13.677 8.370 ( -10.233 -10.668 1.702) 14.881 8.889 ( 6.354 15.815 -7.663) 18.687 8.983 ( 2.494 0.429 -10.343) 10.648 9.018 ( -2.003 1.886 -9.767) 10.147 9.096 ( -2.905 -1.020 -10.590) 11.028 9.277 ( -3.273 13.427 -10.231) 17.195 9.324 ( -6.048 12.397 -9.696) 16.860 9.762 ( 9.552 6.749 -1.370) 11.776 9.816 ( 9.112 1.045 1.080) 9.235 9.872 ( -0.734 0.467 -3.224) 3.339 9.924 ( 0.007 -1.075 -1.034) 1.492 10.025 ( 3.902 -12.356 -6.266) 14.393 10.115 ( -1.768 -5.739 -6.439) 8.805 10.263 ( 3.476 -4.781 1.492) 6.097 10.322 ( 5.669 -6.836 0.304) 8.886 10.412 ( -8.060 0.995 -0.185) 8.124 10.461 ( -6.060 -2.770 3.898) 7.719 10.761 ( -0.139 7.321 -5.345) 9.065 10.786 ( 1.178 4.505 -1.883) 5.023 10.828 ( 7.045 4.530 1.247) 8.468 10.929 ( -1.229 1.612 5.001) 5.396 11.091 ( 2.605 -6.403 -3.429) 7.716 11.123 ( -0.347 -0.295 -4.485) 4.508 11.268 ( 1.221 -6.917 -3.087) 7.672 11.319 ( -0.082 -7.994 -0.631) 8.019 11.459 ( 0.374 9.841 -1.848) 10.020 11.505 ( -2.659 5.393 2.348) 6.455 11.685 ( -0.791 0.564 -6.794) 6.864 11.740 ( -5.167 1.526 -4.549) 7.051 11.979 ( 3.514 -1.652 2.499) 4.617 12.051 ( 4.854 -2.099 -1.203) 5.423 12.084 ( -2.759 1.042 -0.340) 2.969 12.182 ( -4.751 -0.915 -0.090) 4.839 12.471 ( 0.180 7.289 1.443) 7.433 12.504 ( -2.317 4.600 0.363) 5.163 12.662 ( 1.976 4.059 -0.426) 4.535 12.766 ( -5.574 4.421 -1.874) 7.357 12.828 ( 4.278 -1.842 -1.732) 4.969 12.895 ( -3.131 2.585 0.749) 4.129 13.005 ( 10.263 -3.929 3.388) 11.500 13.142 ( -1.859 -4.358 13.341) 14.157 13.173 ( 4.316 -0.807 12.552) 13.298 13.276 ( -4.734 -1.826 4.255) 6.622 13.364 ( 8.042 -10.425 1.130) 13.215 13.435 ( -0.743 -3.230 2.050) 3.897 13.829 ( 3.339 -2.164 3.401) 5.234 13.865 ( -0.100 -3.321 4.237) 5.384 13.912 ( -1.521 -6.290 6.014) 8.835 13.959 ( -4.695 -5.167 3.946) 8.019 14.516 ( 3.604 18.281 -2.235) 18.766 14.615 ( -6.080 18.893 -2.092) 19.957 15.002 ( 5.392 -5.467 -7.348) 10.628 15.147 ( -9.542 -6.869 -5.723) 13.076 15.845 ( 1.432 1.888 -0.473) 2.416 15.898 ( -3.757 1.338 -0.721) 4.052 16.019 ( 1.673 -5.076 -0.731) 5.394 16.065 ( -2.669 -6.060 0.395) 6.633 16.466 ( 2.376 9.964 -1.786) 10.397 16.513 ( -2.457 11.205 -0.378) 11.477 16.783 ( 5.354 -2.899 -9.102) 10.950 16.844 ( -0.909 -3.139 -7.039) 7.761 17.955 ( 2.628 5.606 1.377) 6.343 18.019 ( -4.039 1.937 6.508) 7.901 18.288 ( 0.126 -8.384 -6.153) 10.400 18.297 ( -0.753 -8.675 -7.789) 11.682 24.874 ( 1.135 3.512 4.706) 5.981 24.894 ( -0.939 3.529 4.631) 5.898 25.008 ( 1.530 -2.879 4.114) 5.249 25.033 ( -1.015 -3.038 4.018) 5.138 26.411 ( 0.435 17.818 -1.113) 17.858 26.420 ( -0.497 14.863 -1.027) 14.906 26.720 ( 13.263 -2.433 -1.204) 13.538 26.951 ( -9.061 -8.346 -2.114) 12.499 27.506 ( 2.886 4.225 -9.448) 10.745 27.594 ( -4.171 0.519 -12.824) 13.496 27.686 ( 4.937 -3.119 -26.031) 26.678 27.793 ( -4.417 -8.571 -18.144) 20.547 28.999 ( 3.172 0.190 16.203) 16.512 29.028 ( -0.651 0.643 13.511) 13.542 29.067 ( 3.481 -3.181 17.865) 18.477 29.207 ( -9.691 -9.016 28.799) 31.695 ======================= Grid point 50 (22/72) ======================= q-point: ( 0.00 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 0.000 -34.996 12.772) 37.254 2.483 ( 0.000 34.996 12.772) 37.254 2.839 ( 0.000 -37.564 16.028) 40.841 2.839 ( 0.000 37.564 16.028) 40.841 4.377 ( 0.000 -38.125 11.404) 39.794 4.377 ( 0.000 38.125 11.404) 39.794 4.508 ( 0.000 -27.570 10.470) 29.491 4.508 ( 0.000 27.570 10.470) 29.491 4.702 ( 0.000 -9.113 7.570) 11.847 4.702 ( 0.000 9.113 7.570) 11.847 4.930 ( 0.000 -4.256 3.344) 5.412 4.930 ( 0.000 4.256 3.344) 5.412 5.285 ( 0.000 -1.852 -8.226) 8.432 5.285 ( 0.000 1.852 -8.226) 8.432 5.626 ( 0.000 -1.000 -2.636) 2.820 5.626 ( 0.000 1.000 -2.636) 2.820 5.782 ( 0.000 -4.662 3.271) 5.695 5.782 ( 0.000 4.662 3.271) 5.695 6.317 ( 0.000 -15.581 3.949) 16.074 6.317 ( 0.000 15.581 3.949) 16.074 6.660 ( 0.000 -8.797 -2.800) 9.232 6.660 ( 0.000 8.797 -2.800) 9.232 6.857 ( 0.000 -6.773 -5.425) 8.678 6.857 ( 0.000 6.773 -5.425) 8.678 6.929 ( 0.000 -7.449 4.378) 8.640 6.929 ( 0.000 7.449 4.378) 8.640 7.208 ( 0.000 -1.688 -8.134) 8.308 7.208 ( 0.000 1.688 -8.134) 8.308 7.400 ( 0.000 -11.912 -4.685) 12.801 7.400 ( 0.000 11.912 -4.685) 12.801 7.527 ( 0.000 -0.389 -1.878) 1.918 7.527 ( 0.000 0.389 -1.878) 1.918 7.740 ( 0.000 -3.853 -0.756) 3.927 7.740 ( 0.000 3.853 -0.756) 3.927 7.931 ( 0.000 -0.212 8.355) 8.358 7.931 ( 0.000 0.212 8.355) 8.358 8.384 ( 0.000 -0.647 -0.465) 0.797 8.384 ( 0.000 0.647 -0.465) 0.797 8.547 ( 0.000 -3.371 3.878) 5.139 8.547 ( 0.000 3.371 3.878) 5.139 9.096 ( 0.000 -10.779 -10.315) 14.919 9.096 ( 0.000 10.779 -10.315) 14.919 9.106 ( 0.000 -0.396 -5.844) 5.857 9.106 ( 0.000 0.396 -5.844) 5.857 9.291 ( 0.000 -5.930 -7.403) 9.485 9.291 ( 0.000 5.930 -7.403) 9.485 9.534 ( 0.000 -4.794 -6.021) 7.696 9.534 ( 0.000 4.794 -6.021) 7.696 9.689 ( 0.000 -10.951 -4.013) 11.663 9.689 ( 0.000 10.951 -4.013) 11.663 10.008 ( 0.000 -12.652 -3.713) 13.185 10.008 ( 0.000 12.652 -3.713) 13.185 10.235 ( 0.000 -0.423 -5.345) 5.361 10.235 ( 0.000 0.423 -5.345) 5.361 10.572 ( 0.000 -1.012 2.889) 3.061 10.572 ( 0.000 1.012 2.889) 3.061 10.651 ( 0.000 -4.866 3.528) 6.010 10.651 ( 0.000 4.866 3.528) 6.010 10.841 ( 0.000 -5.222 -7.424) 9.076 10.841 ( 0.000 5.222 -7.424) 9.076 11.089 ( 0.000 -2.771 3.639) 4.574 11.089 ( 0.000 2.771 3.639) 4.574 11.322 ( 0.000 -5.902 -2.426) 6.381 11.322 ( 0.000 5.902 -2.426) 6.381 11.614 ( 0.000 -6.309 -13.068) 14.511 11.614 ( 0.000 6.309 -13.068) 14.511 11.714 ( 0.000 -6.755 5.813) 8.912 11.714 ( 0.000 6.755 5.813) 8.912 11.871 ( 0.000 -4.495 -5.306) 6.954 11.871 ( 0.000 4.495 -5.306) 6.954 12.284 ( 0.000 -3.461 -8.806) 9.461 12.284 ( 0.000 3.461 -8.806) 9.461 12.525 ( 0.000 -2.923 -0.377) 2.948 12.525 ( 0.000 2.923 -0.377) 2.948 12.705 ( 0.000 -7.544 5.273) 9.204 12.705 ( 0.000 7.544 5.273) 9.204 12.873 ( 0.000 -8.878 12.372) 15.227 12.873 ( 0.000 8.878 12.372) 15.227 12.980 ( 0.000 -0.127 13.436) 13.437 12.980 ( 0.000 0.127 13.436) 13.437 13.019 ( 0.000 -0.725 6.031) 6.074 13.019 ( 0.000 0.725 6.031) 6.074 13.385 ( 0.000 -9.434 -0.293) 9.438 13.385 ( 0.000 9.434 -0.293) 9.438 13.824 ( 0.000 -6.004 2.006) 6.330 13.824 ( 0.000 6.004 2.006) 6.330 13.950 ( 0.000 -5.011 2.982) 5.831 13.950 ( 0.000 5.011 2.982) 5.831 14.732 ( 0.000 -10.079 -7.516) 12.573 14.732 ( 0.000 10.079 -7.516) 12.573 15.203 ( 0.000 -17.222 -1.157) 17.260 15.203 ( 0.000 17.222 -1.157) 17.260 15.908 ( 0.000 -3.864 -2.162) 4.428 15.908 ( 0.000 3.864 -2.162) 4.428 16.036 ( 0.000 -0.521 2.818) 2.866 16.036 ( 0.000 0.521 2.818) 2.866 16.531 ( 0.000 -2.623 -6.517) 7.025 16.531 ( 0.000 2.623 -6.517) 7.025 16.743 ( 0.000 -4.908 -1.633) 5.172 16.743 ( 0.000 4.908 -1.633) 5.172 18.098 ( 0.000 -11.178 -7.031) 13.206 18.098 ( 0.000 11.178 -7.031) 13.206 18.171 ( 0.000 -5.412 0.965) 5.498 18.171 ( 0.000 5.412 0.965) 5.498 24.906 ( 0.000 -3.193 4.626) 5.621 24.906 ( 0.000 3.193 4.626) 5.621 24.985 ( 0.000 -3.745 4.302) 5.704 24.985 ( 0.000 3.745 4.302) 5.704 26.407 ( 0.000 -1.150 -1.047) 1.555 26.407 ( 0.000 1.150 -1.047) 1.555 26.753 ( 0.000 -17.671 -3.150) 17.950 26.753 ( 0.000 17.671 -3.150) 17.950 27.660 ( 0.000 -9.941 -20.248) 22.557 27.660 ( 0.000 9.941 -20.248) 22.557 27.724 ( 0.000 -5.000 -11.871) 12.881 27.724 ( 0.000 5.000 -11.871) 12.881 28.965 ( 0.000 -3.650 10.792) 11.393 28.965 ( 0.000 3.650 10.792) 11.393 29.200 ( 0.000 -11.019 27.250) 29.394 29.200 ( 0.000 11.019 27.250) 29.394 ======================= Grid point 52 (23/72) ======================= q-point: ( 0.20 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 15.085 -30.066 11.151) 35.438 2.637 ( 15.085 30.066 11.151) 35.438 2.969 ( 12.941 -35.792 14.957) 40.893 2.969 ( 12.941 35.792 14.957) 40.893 4.106 ( -26.765 -12.598 4.405) 29.908 4.106 ( -26.765 12.598 4.405) 29.908 4.284 ( -23.378 -12.791 7.574) 27.704 4.284 ( -23.378 12.791 7.574) 27.704 4.663 ( 16.261 -41.392 16.932) 47.586 4.663 ( 16.261 41.392 16.932) 47.586 5.195 ( 13.140 -6.309 2.503) 14.790 5.195 ( 13.140 6.309 2.503) 14.790 5.556 ( 18.208 -10.778 -6.690) 22.192 5.556 ( 18.208 10.778 -6.690) 22.192 5.617 ( -0.400 -1.435 -3.728) 4.014 5.617 ( -0.400 1.435 -3.728) 4.014 5.835 ( 5.846 -10.158 4.410) 12.522 5.835 ( 5.846 10.158 4.410) 12.522 6.308 ( -1.986 -11.844 1.984) 12.172 6.308 ( -1.986 11.844 1.984) 12.172 6.666 ( -7.684 -4.264 -3.727) 9.545 6.666 ( -7.684 4.264 -3.727) 9.545 6.711 ( -4.110 -17.217 -1.991) 17.812 6.711 ( -4.110 17.217 -1.991) 17.812 6.842 ( -7.592 -5.322 3.855) 10.041 6.842 ( -7.592 5.322 3.855) 10.041 7.153 ( -5.689 -8.908 -0.581) 10.586 7.153 ( -5.689 8.908 -0.581) 10.586 7.437 ( 2.266 -7.715 -7.872) 11.253 7.437 ( 2.266 7.715 -7.872) 11.253 7.560 ( 4.305 -4.160 0.098) 5.988 7.560 ( 4.305 4.160 0.098) 5.988 7.739 ( -0.430 -4.983 -1.722) 5.290 7.739 ( -0.430 4.983 -1.722) 5.290 7.900 ( -2.027 -2.683 6.215) 7.067 7.900 ( -2.027 2.683 6.215) 7.067 8.279 ( -7.982 -3.686 -3.680) 9.531 8.279 ( -7.982 3.686 -3.680) 9.531 8.501 ( -7.205 -4.015 4.613) 9.451 8.501 ( -7.205 4.015 4.613) 9.451 8.983 ( -2.170 -7.959 -9.926) 12.906 8.983 ( -2.170 7.959 -9.926) 12.906 9.081 ( -1.616 -6.944 -9.918) 12.215 9.081 ( -1.616 6.944 -9.918) 12.215 9.517 ( 9.873 -6.415 -8.028) 14.251 9.517 ( 9.873 6.415 -8.028) 14.251 9.631 ( 9.869 -3.871 -7.392) 12.924 9.631 ( 9.869 3.871 -7.392) 12.924 9.719 ( 3.664 -5.781 -1.046) 6.924 9.719 ( 3.664 5.781 -1.046) 6.924 9.979 ( -3.430 -15.355 -2.343) 15.907 9.979 ( -3.430 15.355 -2.343) 15.907 10.213 ( -0.452 -2.428 -4.252) 4.917 10.213 ( -0.452 2.428 -4.252) 4.917 10.524 ( -2.823 -2.841 4.817) 6.265 10.524 ( -2.823 2.841 4.817) 6.265 10.755 ( 6.726 -3.718 2.235) 8.004 10.755 ( 6.726 3.718 2.235) 8.004 10.859 ( 1.789 -2.195 -7.069) 7.615 10.859 ( 1.789 2.195 -7.069) 7.615 11.067 ( -1.519 -2.143 3.333) 4.244 11.067 ( -1.519 2.143 3.333) 4.244 11.257 ( -4.374 -3.164 -3.931) 6.678 11.257 ( -4.374 3.164 -3.931) 6.678 11.573 ( -1.211 -2.332 -7.200) 7.664 11.573 ( -1.211 2.332 -7.200) 7.664 11.770 ( -0.226 -5.076 1.518) 5.303 11.770 ( -0.226 5.076 1.518) 5.303 11.892 ( 3.678 -2.918 -1.762) 5.015 11.892 ( 3.678 2.918 -1.762) 5.015 12.258 ( -3.274 -2.793 -6.136) 7.495 12.258 ( -3.274 2.793 -6.136) 7.495 12.570 ( 3.069 -5.720 -3.356) 7.307 12.570 ( 3.069 5.720 -3.356) 7.307 12.732 ( -1.490 -4.357 3.114) 5.558 12.732 ( -1.490 4.357 3.114) 5.558 12.782 ( -0.407 -1.896 6.610) 6.888 12.782 ( -0.407 1.896 6.610) 6.888 13.034 ( 4.545 -1.874 10.954) 12.007 13.034 ( 4.545 1.874 10.954) 12.007 13.081 ( 3.385 -2.094 8.700) 9.567 13.081 ( 3.385 2.094 8.700) 9.567 13.378 ( -0.717 -7.155 1.488) 7.343 13.378 ( -0.717 7.155 1.488) 7.343 13.814 ( -0.715 -4.757 2.983) 5.660 13.814 ( -0.715 4.757 2.983) 5.660 13.932 ( -1.895 -4.312 3.263) 5.730 13.932 ( -1.895 4.312 3.263) 5.730 14.749 ( 1.879 -10.322 -7.085) 12.660 14.749 ( 1.879 10.322 -7.085) 12.660 15.122 ( -7.568 -15.223 -1.348) 17.054 15.122 ( -7.568 15.223 -1.348) 17.054 15.901 ( -0.321 -4.338 -1.440) 4.582 15.901 ( -0.321 4.338 -1.440) 4.582 16.008 ( -2.521 -3.108 2.383) 4.657 16.008 ( -2.521 3.108 2.383) 4.657 16.578 ( 4.087 -6.203 -5.182) 9.057 16.578 ( 4.087 6.203 -5.182) 9.057 16.740 ( -0.393 -7.144 -1.806) 7.379 16.740 ( -0.393 7.144 -1.806) 7.379 18.099 ( 0.153 -9.995 -6.545) 11.948 18.099 ( 0.153 9.995 -6.545) 11.948 18.158 ( -1.271 -5.757 -0.422) 5.911 18.158 ( -1.271 5.757 -0.422) 5.911 24.919 ( 1.183 -3.373 4.533) 5.773 24.919 ( 1.183 3.373 4.533) 5.773 24.980 ( -0.462 -3.776 4.303) 5.743 24.980 ( -0.462 3.776 4.303) 5.743 26.482 ( 6.918 -0.989 -1.031) 7.064 26.482 ( 6.918 0.989 -1.031) 7.064 26.754 ( -0.123 -17.407 -2.877) 17.643 26.754 ( -0.123 17.407 -2.877) 17.643 27.642 ( -1.636 -8.342 -19.515) 21.287 27.642 ( -1.636 8.342 -19.515) 21.287 27.694 ( -2.757 -5.649 -12.447) 13.945 27.694 ( -2.757 5.649 -12.447) 13.945 28.977 ( 1.235 -2.923 12.165) 12.572 28.977 ( 1.235 2.923 12.165) 12.572 29.160 ( -3.647 -8.743 25.527) 27.228 29.160 ( -3.647 8.743 25.527) 27.228 ======================= Grid point 54 (24/72) ======================= q-point: ( 0.40 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 23.982 -21.645 8.229) 33.337 3.028 ( 23.982 21.645 8.229) 33.337 3.308 ( 19.771 -30.317 11.570) 37.999 3.308 ( 19.771 30.317 11.570) 37.999 3.560 ( -26.346 -15.716 7.116) 31.492 3.560 ( -26.346 15.716 7.116) 31.492 3.793 ( -25.480 -25.661 9.136) 37.299 3.793 ( -25.480 25.661 9.136) 37.299 5.114 ( 25.593 -32.977 11.185) 43.215 5.114 ( 25.593 32.977 11.185) 43.215 5.369 ( 3.384 -2.132 -1.018) 4.127 5.369 ( 3.384 2.132 -1.018) 4.127 5.545 ( -1.713 -11.315 1.548) 11.548 5.545 ( -1.713 11.315 1.548) 11.548 5.720 ( -10.547 -22.749 12.365) 27.958 5.720 ( -10.547 22.749 12.365) 27.958 6.029 ( 12.967 -2.649 -6.985) 14.965 6.029 ( 12.967 2.649 -6.985) 14.965 6.197 ( -6.485 -1.501 -4.214) 7.879 6.197 ( -6.485 1.501 -4.214) 7.879 6.503 ( -2.204 -4.676 -0.255) 5.175 6.503 ( -2.204 4.676 -0.255) 5.175 6.586 ( -8.988 -13.994 2.197) 16.776 6.586 ( -8.988 13.994 2.197) 16.776 6.865 ( 7.914 -6.610 -1.692) 10.449 6.865 ( 7.914 6.610 -1.692) 10.449 7.024 ( -7.357 -12.898 -0.684) 14.864 7.024 ( -7.357 12.898 -0.684) 14.864 7.471 ( 1.873 -1.891 -3.556) 4.442 7.471 ( 1.873 1.891 -3.556) 4.442 7.553 ( -5.777 -6.834 0.308) 8.954 7.553 ( -5.777 6.834 0.308) 8.954 7.820 ( 8.813 -3.089 -0.734) 9.368 7.820 ( 8.813 3.089 -0.734) 9.368 7.911 ( 1.750 -2.299 1.309) 3.172 7.911 ( 1.750 2.299 1.309) 3.172 8.141 ( -2.770 -5.969 -0.607) 6.609 8.141 ( -2.770 5.969 -0.607) 6.609 8.289 ( -12.987 -2.539 1.558) 13.324 8.289 ( -12.987 2.539 1.558) 13.324 9.008 ( 3.303 -1.883 -13.660) 14.179 9.008 ( 3.303 1.883 -13.660) 14.179 9.063 ( -1.467 -3.059 -12.738) 13.182 9.063 ( -1.467 3.059 -12.738) 13.182 9.612 ( 4.377 -19.634 -7.171) 21.356 9.612 ( 4.377 19.634 -7.171) 21.356 9.712 ( -3.937 -15.470 -4.043) 16.467 9.712 ( -3.937 15.470 -4.043) 16.467 9.866 ( 7.332 -3.972 -4.336) 9.398 9.866 ( 7.332 3.972 -4.336) 9.398 9.931 ( -0.570 -4.421 -0.206) 4.463 9.931 ( -0.570 4.421 -0.206) 4.463 10.259 ( 5.933 -1.734 -0.030) 6.181 10.259 ( 5.933 1.734 -0.030) 6.181 10.421 ( -8.417 -1.136 3.793) 9.302 10.421 ( -8.417 1.136 3.793) 9.302 10.859 ( 4.489 -1.224 -1.517) 4.894 10.859 ( 4.489 1.224 -1.517) 4.894 10.905 ( 0.879 -4.374 -2.248) 4.996 10.905 ( 0.879 4.374 -2.248) 4.996 11.088 ( 4.225 -6.281 -0.361) 7.578 11.088 ( 4.225 6.281 -0.361) 7.578 11.182 ( -4.189 -4.767 -2.796) 6.935 11.182 ( -4.189 4.767 -2.796) 6.935 11.587 ( 3.118 -0.495 -3.552) 4.752 11.587 ( 3.118 0.495 -3.552) 4.752 11.691 ( -6.293 -3.664 0.227) 7.285 11.691 ( -6.293 3.664 0.227) 7.285 11.999 ( 6.675 -2.786 2.197) 7.559 11.999 ( 6.675 2.786 2.197) 7.559 12.144 ( -7.712 -3.236 -0.281) 8.368 12.144 ( -7.712 3.236 -0.281) 8.368 12.608 ( 1.627 -7.003 -6.408) 9.631 12.608 ( 1.627 7.003 -6.408) 9.631 12.652 ( -3.019 -10.141 -1.753) 10.725 12.652 ( -3.019 10.141 -1.753) 10.725 12.907 ( 7.905 -7.056 1.175) 10.661 12.907 ( 7.905 7.056 1.175) 10.661 13.032 ( -4.318 -6.970 5.473) 9.858 13.032 ( -4.318 6.970 5.473) 9.858 13.207 ( 8.322 -5.092 8.482) 12.928 13.207 ( 8.322 5.092 8.482) 12.928 13.338 ( -4.277 -6.276 5.746) 9.524 13.338 ( -4.277 6.276 5.746) 9.524 13.819 ( 1.823 -0.756 4.499) 4.913 13.819 ( 1.823 0.756 4.499) 4.913 13.878 ( -3.443 -2.724 4.151) 6.042 13.878 ( -3.443 2.724 4.151) 6.042 14.815 ( 5.202 -11.029 -5.333) 13.309 14.815 ( 5.202 11.029 -5.333) 13.309 14.953 ( -8.668 -12.363 -2.756) 15.349 14.953 ( -8.668 12.363 -2.756) 15.349 15.910 ( 1.372 -4.901 0.202) 5.093 15.910 ( 1.372 4.901 0.202) 5.093 15.953 ( -2.840 -4.552 1.563) 5.589 15.953 ( -2.840 4.552 1.563) 5.589 16.661 ( 3.964 -9.138 -3.330) 10.502 16.661 ( 3.964 9.138 -3.330) 10.502 16.720 ( -1.941 -9.381 -2.297) 9.852 16.720 ( -1.941 9.381 -2.297) 9.852 18.107 ( 0.791 -7.754 -5.245) 9.395 18.107 ( 0.791 7.754 -5.245) 9.395 18.130 ( -1.432 -6.336 -3.101) 7.198 18.130 ( -1.432 6.336 -3.101) 7.198 24.944 ( 1.320 -3.645 4.394) 5.860 24.944 ( 1.320 3.645 4.394) 5.860 24.967 ( -0.935 -3.783 4.322) 5.819 24.967 ( -0.935 3.783 4.322) 5.819 26.631 ( 7.186 -7.382 -1.164) 10.368 26.631 ( 7.186 7.382 -1.164) 10.368 26.730 ( -2.832 -14.600 -1.999) 15.006 26.730 ( -2.832 14.600 -1.999) 15.006 27.616 ( -0.467 -4.036 -17.377) 17.846 27.616 ( -0.467 4.036 -17.377) 17.846 27.637 ( -2.520 -4.577 -14.497) 15.409 27.637 ( -2.520 4.577 -14.497) 15.409 29.014 ( 2.678 -1.513 15.942) 16.236 29.014 ( 2.678 1.513 15.942) 16.236 29.081 ( -4.036 -4.262 21.060) 21.862 29.081 ( -4.036 4.262 21.060) 21.862 ======================= Grid point 70 (25/72) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.000 0.000 43.341) 43.341 1.863 ( 0.000 0.000 46.255) 46.255 3.248 ( 0.000 0.000 78.379) 78.379 3.647 ( 0.000 0.000 21.182) 21.182 4.490 ( 0.000 0.000 35.975) 35.975 4.527 ( 0.000 0.000 -10.375) 10.375 4.608 ( 0.000 0.000 1.547) 1.547 4.698 ( 0.000 0.000 -0.014) 0.014 4.804 ( 0.000 0.000 13.013) 13.013 4.899 ( 0.000 0.000 -3.831) 3.831 4.960 ( 0.000 0.000 -6.940) 6.940 5.096 ( 0.000 0.000 -5.909) 5.909 5.120 ( 0.000 0.000 19.214) 19.214 5.122 ( 0.000 0.000 -2.669) 2.669 5.401 ( 0.000 0.000 3.459) 3.459 5.673 ( 0.000 0.000 -6.907) 6.907 5.933 ( 0.000 0.000 -10.988) 10.988 6.053 ( 0.000 0.000 7.027) 7.027 6.288 ( 0.000 0.000 3.179) 3.179 6.302 ( 0.000 0.000 -4.619) 4.619 6.389 ( 0.000 0.000 8.110) 8.110 6.450 ( 0.000 0.000 -6.698) 6.698 6.537 ( 0.000 0.000 -12.043) 12.043 6.674 ( 0.000 0.000 -0.765) 0.765 6.919 ( 0.000 0.000 8.211) 8.211 7.015 ( 0.000 0.000 -0.403) 0.403 7.210 ( 0.000 0.000 3.098) 3.098 7.226 ( 0.000 0.000 -5.282) 5.282 7.282 ( 0.000 0.000 -7.470) 7.470 7.546 ( 0.000 0.000 -10.856) 10.856 7.600 ( 0.000 0.000 -11.264) 11.264 7.763 ( 0.000 0.000 0.037) 0.037 7.868 ( 0.000 0.000 -3.401) 3.401 7.984 ( 0.000 0.000 -2.378) 2.378 8.017 ( 0.000 0.000 -6.522) 6.522 8.099 ( 0.000 0.000 5.372) 5.372 8.139 ( 0.000 0.000 -8.209) 8.209 8.374 ( 0.000 0.000 -3.795) 3.795 8.464 ( 0.000 0.000 -4.662) 4.662 8.496 ( 0.000 0.000 -10.183) 10.183 8.511 ( 0.000 0.000 -10.204) 10.204 8.774 ( 0.000 0.000 -5.543) 5.543 8.788 ( 0.000 0.000 -17.590) 17.590 9.119 ( 0.000 0.000 -5.446) 5.446 9.121 ( 0.000 0.000 -8.039) 8.039 9.433 ( 0.000 0.000 -17.801) 17.801 9.566 ( 0.000 0.000 -9.050) 9.050 9.626 ( 0.000 0.000 13.759) 13.759 9.660 ( 0.000 0.000 -11.535) 11.535 9.950 ( 0.000 0.000 -0.435) 0.435 10.047 ( 0.000 0.000 10.531) 10.531 10.071 ( 0.000 0.000 -7.534) 7.534 10.236 ( 0.000 0.000 5.792) 5.792 10.259 ( 0.000 0.000 0.254) 0.254 10.293 ( 0.000 0.000 -3.718) 3.718 10.460 ( 0.000 0.000 -9.348) 9.348 10.594 ( 0.000 0.000 -0.966) 0.966 10.703 ( 0.000 0.000 -5.634) 5.634 10.828 ( 0.000 0.000 6.606) 6.606 10.864 ( 0.000 0.000 0.448) 0.448 11.002 ( 0.000 0.000 5.709) 5.709 11.163 ( 0.000 0.000 1.764) 1.764 11.202 ( 0.000 0.000 -3.181) 3.181 11.208 ( 0.000 0.000 -6.960) 6.960 11.339 ( 0.000 0.000 -8.291) 8.291 11.567 ( 0.000 0.000 -2.286) 2.286 11.633 ( 0.000 0.000 5.389) 5.389 11.725 ( 0.000 0.000 -1.533) 1.533 11.882 ( 0.000 0.000 -14.275) 14.275 11.968 ( 0.000 0.000 -0.123) 0.123 12.078 ( 0.000 0.000 -4.630) 4.630 12.132 ( 0.000 0.000 -12.043) 12.043 12.329 ( 0.000 0.000 1.488) 1.488 12.430 ( 0.000 0.000 0.910) 0.910 12.450 ( 0.000 0.000 -2.558) 2.558 12.807 ( 0.000 0.000 7.616) 7.616 12.869 ( 0.000 0.000 1.022) 1.022 13.017 ( 0.000 0.000 4.460) 4.460 13.101 ( 0.000 0.000 15.243) 15.243 13.262 ( 0.000 0.000 14.793) 14.793 13.317 ( 0.000 0.000 0.947) 0.947 13.499 ( 0.000 0.000 8.921) 8.921 13.526 ( 0.000 0.000 -10.359) 10.359 13.909 ( 0.000 0.000 3.649) 3.649 13.982 ( 0.000 0.000 7.875) 7.875 13.988 ( 0.000 0.000 5.343) 5.343 14.128 ( 0.000 0.000 -3.271) 3.271 14.212 ( 0.000 0.000 8.855) 8.855 14.317 ( 0.000 0.000 0.939) 0.939 14.340 ( 0.000 0.000 12.710) 12.710 14.498 ( 0.000 0.000 13.533) 13.533 15.354 ( 0.000 0.000 -17.933) 17.933 15.760 ( 0.000 0.000 -2.423) 2.423 15.838 ( 0.000 0.000 -4.725) 4.725 15.973 ( 0.000 0.000 -2.545) 2.545 16.002 ( 0.000 0.000 -9.606) 9.606 16.025 ( 0.000 0.000 -13.362) 13.362 16.190 ( 0.000 0.000 -0.725) 0.725 16.467 ( 0.000 0.000 -0.983) 0.983 16.666 ( 0.000 0.000 -6.530) 6.530 17.889 ( 0.000 0.000 3.100) 3.100 18.245 ( 0.000 0.000 -14.605) 14.605 18.343 ( 0.000 0.000 -5.947) 5.947 19.200 ( 0.000 0.000 -5.165) 5.165 24.895 ( 0.000 0.000 7.142) 7.142 24.964 ( 0.000 0.000 5.063) 5.063 25.101 ( 0.000 0.000 5.382) 5.382 25.199 ( 0.000 0.000 4.533) 4.533 25.967 ( 0.000 0.000 5.337) 5.337 26.050 ( 0.000 0.000 3.493) 3.493 26.369 ( 0.000 0.000 -0.694) 0.694 26.418 ( 0.000 0.000 -2.432) 2.432 27.172 ( 0.000 0.000 -7.801) 7.801 27.422 ( 0.000 0.000 -6.712) 6.712 27.583 ( 0.000 0.000 -12.713) 12.713 27.828 ( 0.000 0.000 -12.529) 12.529 29.167 ( 0.000 0.000 19.351) 19.351 29.226 ( 0.000 0.000 13.239) 13.239 29.356 ( 0.000 0.000 15.819) 15.819 30.795 ( 0.000 0.000 -3.048) 3.048 ======================= Grid point 71 (26/72) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 16.417 0.000 42.268) 45.344 2.032 ( 31.153 0.000 34.642) 46.590 3.425 ( -20.145 0.000 23.016) 30.587 3.475 ( 22.331 0.000 69.952) 73.430 3.959 ( -29.388 0.000 19.713) 35.387 4.609 ( -1.422 0.000 -0.341) 1.462 4.689 ( 1.574 0.000 14.471) 14.556 4.701 ( -7.030 0.000 -7.492) 10.274 4.839 ( 4.513 0.000 1.824) 4.867 4.995 ( 0.864 0.000 -2.787) 2.918 5.065 ( -0.941 0.000 -4.522) 4.619 5.105 ( -0.145 0.000 -4.914) 4.916 5.105 ( 18.166 0.000 8.630) 20.112 5.161 ( 3.691 0.000 16.043) 16.462 5.258 ( -8.311 0.000 7.520) 11.208 5.695 ( -2.313 0.000 -5.486) 5.954 5.750 ( -10.859 0.000 0.115) 10.860 6.049 ( -20.267 0.000 14.026) 24.647 6.175 ( -12.896 0.000 1.207) 12.952 6.250 ( 14.598 0.000 -3.305) 14.967 6.504 ( 12.642 0.000 6.245) 14.100 6.592 ( 10.201 0.000 -9.355) 13.841 6.628 ( -7.604 0.000 -3.291) 8.286 6.725 ( 14.420 0.000 -13.954) 20.066 6.918 ( -6.474 0.000 -4.589) 7.936 6.952 ( 3.787 0.000 6.574) 7.587 7.110 ( 1.199 0.000 -3.046) 3.274 7.300 ( -0.195 0.000 -6.799) 6.802 7.398 ( -0.706 0.000 -10.870) 10.893 7.486 ( -3.723 0.000 -10.226) 10.883 7.542 ( -7.672 0.000 0.753) 7.708 7.758 ( 10.881 0.000 -6.011) 12.431 7.801 ( 1.177 0.000 -4.076) 4.242 7.976 ( -2.968 0.000 -7.846) 8.388 8.000 ( 0.962 0.000 -3.007) 3.157 8.071 ( -3.321 0.000 1.931) 3.841 8.213 ( 0.953 0.000 -11.643) 11.682 8.326 ( -3.647 0.000 -5.222) 6.369 8.401 ( -3.221 0.000 -5.711) 6.557 8.524 ( 0.605 0.000 -4.864) 4.902 8.696 ( -5.798 0.000 -5.701) 8.132 8.714 ( 8.173 0.000 -10.086) 12.981 8.771 ( 4.985 0.000 -13.071) 13.989 9.144 ( 0.594 0.000 -6.061) 6.090 9.251 ( 5.955 0.000 -5.930) 8.404 9.316 ( -22.632 0.000 -13.101) 26.150 9.343 ( -6.577 0.000 -11.801) 13.510 9.709 ( 5.827 0.000 7.097) 9.183 9.756 ( 16.375 0.000 -4.211) 16.908 9.839 ( -10.418 0.000 1.064) 10.473 9.994 ( -4.466 0.000 9.843) 10.809 10.188 ( 11.226 0.000 -6.699) 13.072 10.253 ( 5.725 0.000 -1.097) 5.829 10.261 ( 1.971 0.000 4.313) 4.741 10.479 ( 2.631 0.000 -7.196) 7.662 10.535 ( -7.614 0.000 -9.159) 11.910 10.576 ( 14.911 0.000 -5.063) 15.747 10.660 ( 0.110 0.000 4.116) 4.118 10.682 ( -9.353 0.000 4.602) 10.424 10.844 ( -2.219 0.000 0.007) 2.219 11.143 ( 4.985 0.000 7.601) 9.090 11.191 ( 0.301 0.000 -6.899) 6.905 11.206 ( 0.277 0.000 -5.675) 5.682 11.240 ( 4.692 0.000 -1.406) 4.899 11.322 ( 0.113 0.000 -6.855) 6.856 11.463 ( -7.892 0.000 -3.039) 8.457 11.597 ( -3.636 0.000 4.691) 5.935 11.685 ( -4.010 0.000 1.106) 4.159 11.907 ( 3.560 0.000 -10.443) 11.033 11.976 ( 0.848 0.000 -0.217) 0.876 12.074 ( -0.542 0.000 -3.649) 3.689 12.206 ( 6.369 0.000 -5.940) 8.709 12.372 ( 3.844 0.000 2.791) 4.750 12.524 ( -3.954 0.000 -0.495) 3.985 12.565 ( 11.992 0.000 -2.158) 12.185 12.687 ( -1.003 0.000 -5.881) 5.966 12.903 ( 3.507 0.000 1.208) 3.709 12.909 ( -12.428 0.000 10.551) 16.303 12.998 ( -1.794 0.000 3.287) 3.744 13.387 ( 6.660 0.000 16.212) 17.526 13.443 ( 8.593 0.000 0.749) 8.626 13.460 ( -6.682 0.000 -10.208) 12.200 13.556 ( 4.410 0.000 10.861) 11.722 13.875 ( -14.842 0.000 4.963) 15.649 13.921 ( 1.042 0.000 4.255) 4.380 13.977 ( -0.496 0.000 7.607) 7.623 13.985 ( -0.015 0.000 6.089) 6.089 14.174 ( 0.118 0.000 6.124) 6.125 14.355 ( 1.454 0.000 12.733) 12.816 14.483 ( -1.534 0.000 13.395) 13.483 14.548 ( 11.163 0.000 -8.826) 14.231 15.223 ( -11.522 0.000 -14.690) 18.670 15.761 ( 0.165 0.000 -2.160) 2.167 15.845 ( 1.195 0.000 -3.871) 4.051 15.909 ( -4.864 0.000 -1.808) 5.189 16.005 ( -2.019 0.000 -11.295) 11.474 16.127 ( 10.460 0.000 -12.387) 16.213 16.259 ( 5.369 0.000 -1.369) 5.541 16.459 ( -0.833 0.000 -1.156) 1.424 16.629 ( -3.766 0.000 -8.152) 8.980 17.949 ( 6.099 0.000 3.764) 7.167 18.249 ( 0.574 0.000 -13.227) 13.239 18.325 ( -1.783 0.000 -6.839) 7.068 18.932 ( -22.607 0.000 3.747) 22.916 24.902 ( 0.600 0.000 7.043) 7.069 24.952 ( -0.942 0.000 5.792) 5.869 25.122 ( 1.626 0.000 4.888) 5.151 25.194 ( -0.465 0.000 4.554) 4.578 25.973 ( 0.621 0.000 5.186) 5.223 26.039 ( -0.977 0.000 3.703) 3.830 26.464 ( 9.510 0.000 -1.105) 9.574 26.693 ( 23.394 0.000 -12.404) 26.479 27.211 ( 3.907 0.000 -8.257) 9.134 27.316 ( -10.087 0.000 -5.879) 11.676 27.543 ( -3.948 0.000 -12.219) 12.841 27.762 ( -6.898 0.000 -14.901) 16.420 29.236 ( 1.095 0.000 13.457) 13.501 29.243 ( 5.739 0.000 19.057) 19.902 29.376 ( 3.819 0.000 16.486) 16.923 30.521 ( -24.147 0.000 7.641) 25.327 ======================= Grid point 72 (27/72) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 25.054 0.000 34.616) 42.732 2.691 ( 34.051 0.000 27.707) 43.900 2.958 ( -26.268 0.000 27.819) 38.261 3.328 ( -31.350 0.000 23.883) 39.411 4.127 ( 37.030 0.000 49.894) 62.134 4.550 ( -2.567 0.000 -2.996) 3.945 4.568 ( -4.337 0.000 -7.342) 8.527 4.658 ( -9.199 0.000 17.169) 19.478 4.951 ( 5.827 0.000 0.603) 5.858 5.039 ( -6.226 0.000 11.027) 12.664 5.040 ( -1.947 0.000 -1.608) 2.525 5.060 ( 3.013 0.000 -3.809) 4.857 5.098 ( -0.812 0.000 -4.798) 4.867 5.108 ( -12.146 0.000 24.233) 27.106 5.458 ( 9.499 0.000 15.954) 18.567 5.583 ( -3.215 0.000 3.934) 5.081 5.618 ( -5.133 0.000 -1.065) 5.242 5.636 ( -12.431 0.000 19.288) 22.946 6.068 ( 5.935 0.000 -3.408) 6.844 6.355 ( -17.965 0.000 -6.169) 18.995 6.506 ( 11.226 0.000 -7.907) 13.731 6.704 ( -8.876 0.000 -9.539) 13.030 6.779 ( 7.986 0.000 -7.982) 11.291 6.867 ( 20.717 0.000 2.673) 20.889 6.912 ( -6.064 0.000 -4.990) 7.853 7.089 ( 15.837 0.000 -14.820) 21.690 7.210 ( -11.032 0.000 -6.410) 12.759 7.277 ( 9.448 0.000 -1.307) 9.538 7.312 ( 1.438 0.000 -6.690) 6.843 7.349 ( -10.611 0.000 -10.020) 14.594 7.580 ( 2.047 0.000 -10.577) 10.774 7.729 ( -9.879 0.000 -5.075) 11.106 7.861 ( 1.558 0.000 -1.393) 2.090 7.945 ( -6.025 0.000 -0.895) 6.091 8.093 ( 9.414 0.000 -4.096) 10.266 8.101 ( 12.390 0.000 -8.460) 15.003 8.209 ( -1.602 0.000 -8.618) 8.766 8.319 ( -7.577 0.000 -0.633) 7.603 8.346 ( 8.768 0.000 -1.335) 8.869 8.542 ( 2.181 0.000 -5.414) 5.836 8.601 ( -3.756 0.000 -5.235) 6.443 8.714 ( -20.616 0.000 -5.605) 21.365 8.830 ( -1.492 0.000 -16.214) 16.282 8.868 ( -0.672 0.000 -19.342) 19.353 9.141 ( 0.811 0.000 -4.940) 5.007 9.215 ( -6.132 0.000 -8.280) 10.303 9.461 ( 9.388 0.000 -4.714) 10.506 9.637 ( -9.308 0.000 -0.054) 9.308 9.813 ( 4.821 0.000 5.574) 7.370 9.903 ( -4.629 0.000 7.413) 8.740 10.129 ( 18.753 0.000 6.018) 19.695 10.306 ( 2.925 0.000 0.487) 2.965 10.326 ( 3.153 0.000 -5.866) 6.659 10.363 ( 0.933 0.000 -3.723) 3.838 10.389 ( -5.942 0.000 -4.451) 7.424 10.447 ( -10.829 0.000 3.833) 11.487 10.684 ( 16.121 0.000 -4.602) 16.765 10.704 ( 3.564 0.000 1.857) 4.019 10.781 ( -3.954 0.000 -0.174) 3.958 10.858 ( 13.779 0.000 -4.816) 14.597 11.009 ( -12.481 0.000 -4.704) 13.338 11.148 ( -12.898 0.000 -2.588) 13.155 11.217 ( 0.970 0.000 -5.537) 5.621 11.244 ( -1.707 0.000 -6.622) 6.839 11.417 ( 4.850 0.000 -0.031) 4.850 11.429 ( 7.927 0.000 0.183) 7.929 11.514 ( -4.492 0.000 2.064) 4.943 11.577 ( -6.892 0.000 1.351) 7.023 12.005 ( 2.146 0.000 -0.041) 2.147 12.036 ( 9.549 0.000 -4.767) 10.673 12.049 ( -2.003 0.000 -1.583) 2.553 12.262 ( -13.064 0.000 0.503) 13.074 12.370 ( 10.082 0.000 -1.901) 10.260 12.524 ( 5.899 0.000 1.850) 6.182 12.612 ( -7.494 0.000 2.528) 7.909 12.746 ( -7.516 0.000 -0.131) 7.517 12.795 ( 9.432 0.000 -1.779) 9.598 12.921 ( -4.034 0.000 2.606) 4.803 13.051 ( 9.905 0.000 -4.116) 10.727 13.278 ( -11.536 0.000 -8.863) 14.548 13.510 ( 6.614 0.000 6.512) 9.281 13.563 ( 2.817 0.000 -2.074) 3.498 13.596 ( 0.792 0.000 12.656) 12.681 13.686 ( -6.491 0.000 6.486) 9.176 13.943 ( 1.156 0.000 5.579) 5.697 13.963 ( -0.883 0.000 6.810) 6.867 14.040 ( 5.818 0.000 8.223) 10.073 14.149 ( -3.700 0.000 6.842) 7.778 14.394 ( 2.407 0.000 12.851) 13.074 14.443 ( -2.460 0.000 13.102) 13.331 14.742 ( 10.322 0.000 -14.172) 17.532 14.973 ( -13.096 0.000 -13.503) 18.811 15.774 ( 1.441 0.000 -1.642) 2.184 15.823 ( -3.587 0.000 -1.401) 3.851 15.886 ( 2.939 0.000 -3.308) 4.424 15.951 ( -3.354 0.000 -6.604) 7.407 16.341 ( 10.586 0.000 -13.914) 17.483 16.360 ( 4.547 0.000 -1.666) 4.843 16.428 ( -2.500 0.000 -1.495) 2.913 16.519 ( -7.504 0.000 -11.635) 13.845 18.119 ( 10.666 0.000 3.501) 11.226 18.259 ( -2.053 0.000 -7.273) 7.557 18.297 ( 1.997 0.000 -8.183) 8.424 18.503 ( -18.748 0.000 7.439) 20.169 24.916 ( 0.844 0.000 6.778) 6.831 24.934 ( -0.942 0.000 6.395) 6.464 25.154 ( 1.544 0.000 4.733) 4.978 25.180 ( -1.071 0.000 4.635) 4.757 25.991 ( 1.144 0.000 4.770) 4.906 26.016 ( -1.357 0.000 4.209) 4.423 26.713 ( 15.189 0.000 -2.161) 15.342 27.000 ( -9.560 0.000 -5.421) 10.990 27.219 ( 16.256 0.000 -18.805) 24.858 27.313 ( 6.286 0.000 -9.452) 11.352 27.440 ( -6.318 0.000 -10.959) 12.649 27.556 ( -14.420 0.000 -19.128) 23.955 29.262 ( 1.411 0.000 14.468) 14.536 29.284 ( -0.553 0.000 15.759) 15.769 29.598 ( 17.718 0.000 19.636) 26.448 30.019 ( -24.926 0.000 17.922) 30.700 ======================= Grid point 75 (28/72) ======================= q-point: ( 0.00 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 16.381 38.980) 42.282 2.104 ( 0.000 22.178 41.025) 46.636 3.487 ( 0.000 24.555 68.085) 72.377 3.874 ( 0.000 18.926 20.400) 27.827 4.219 ( 0.000 -26.919 16.568) 31.609 4.419 ( 0.000 -24.649 3.105) 24.843 4.498 ( 0.000 -2.386 -5.718) 6.196 4.635 ( 0.000 2.471 27.525) 27.635 4.725 ( 0.000 6.602 1.440) 6.757 4.837 ( 0.000 -1.460 1.938) 2.426 5.057 ( 0.000 -1.267 -0.340) 1.311 5.136 ( 0.000 2.073 -7.622) 7.899 5.174 ( 0.000 7.668 -0.981) 7.730 5.332 ( 0.000 8.764 3.142) 9.310 5.406 ( 0.000 4.272 -0.922) 4.371 5.713 ( 0.000 5.582 -0.996) 5.670 5.882 ( 0.000 -6.995 -3.498) 7.821 6.139 ( 0.000 -3.073 2.090) 3.716 6.226 ( 0.000 -8.762 0.917) 8.810 6.301 ( 0.000 14.364 5.518) 15.387 6.446 ( 0.000 2.296 -3.872) 4.502 6.473 ( 0.000 -0.560 -4.675) 4.708 6.643 ( 0.000 16.598 -1.995) 16.718 6.734 ( 0.000 2.006 -2.170) 2.955 6.832 ( 0.000 -4.744 6.748) 8.248 6.979 ( 0.000 -3.063 -1.251) 3.309 7.063 ( 0.000 -7.577 -0.993) 7.642 7.198 ( 0.000 -3.218 -5.314) 6.212 7.374 ( 0.000 -7.892 -14.447) 16.462 7.514 ( 0.000 -3.782 -8.470) 9.276 7.532 ( 0.000 -1.156 -9.576) 9.646 7.796 ( 0.000 3.229 0.937) 3.362 7.811 ( 0.000 -3.020 -2.064) 3.658 7.973 ( 0.000 7.591 -0.855) 7.639 8.016 ( 0.000 -10.321 -7.856) 12.971 8.069 ( 0.000 0.818 3.359) 3.457 8.231 ( 0.000 -3.092 -0.871) 3.212 8.392 ( 0.000 12.313 -4.159) 12.996 8.468 ( 0.000 -2.493 -11.912) 12.170 8.521 ( 0.000 5.453 -7.165) 9.004 8.585 ( 0.000 5.245 -6.550) 8.392 8.742 ( 0.000 -1.987 -2.306) 3.044 8.768 ( 0.000 -0.913 -13.759) 13.790 9.038 ( 0.000 -6.763 -9.714) 11.836 9.127 ( 0.000 -0.191 -6.747) 6.750 9.352 ( 0.000 -5.700 -15.224) 16.256 9.523 ( 0.000 -9.178 4.981) 10.443 9.629 ( 0.000 -2.336 -5.873) 6.320 9.673 ( 0.000 7.482 -9.410) 12.022 9.759 ( 0.000 -11.523 1.062) 11.571 9.958 ( 0.000 -9.760 1.036) 9.814 10.163 ( 0.000 0.454 0.106) 0.466 10.202 ( 0.000 5.211 -0.579) 5.243 10.271 ( 0.000 -2.946 -6.620) 7.246 10.332 ( 0.000 1.036 3.875) 4.011 10.463 ( 0.000 6.418 -3.330) 7.231 10.668 ( 0.000 0.241 4.274) 4.281 10.769 ( 0.000 -3.152 1.705) 3.583 10.804 ( 0.000 1.072 -6.881) 6.964 10.854 ( 0.000 -0.787 -0.162) 0.804 11.038 ( 0.000 8.593 -1.216) 8.679 11.131 ( 0.000 0.159 -2.639) 2.644 11.234 ( 0.000 2.159 -7.469) 7.775 11.274 ( 0.000 -4.681 -4.138) 6.248 11.320 ( 0.000 5.448 -1.175) 5.573 11.556 ( 0.000 -0.863 -4.896) 4.971 11.602 ( 0.000 -9.791 -7.981) 12.632 11.696 ( 0.000 5.196 3.868) 6.478 11.926 ( 0.000 1.326 -4.066) 4.277 11.983 ( 0.000 2.286 0.105) 2.288 12.026 ( 0.000 -6.370 -6.455) 9.069 12.206 ( 0.000 7.185 -8.758) 11.329 12.278 ( 0.000 -2.896 0.394) 2.923 12.455 ( 0.000 0.704 -3.642) 3.710 12.483 ( 0.000 5.488 1.286) 5.637 12.832 ( 0.000 3.895 6.007) 7.159 12.887 ( 0.000 1.351 1.481) 2.004 13.031 ( 0.000 0.958 8.299) 8.354 13.122 ( 0.000 1.618 7.727) 7.895 13.224 ( 0.000 -8.210 -2.116) 8.478 13.256 ( 0.000 -1.013 13.339) 13.377 13.434 ( 0.000 -5.408 8.816) 10.342 13.511 ( 0.000 -3.007 -5.287) 6.082 13.869 ( 0.000 -16.457 14.708) 22.072 13.870 ( 0.000 -2.901 7.161) 7.727 13.940 ( 0.000 0.804 6.229) 6.281 14.128 ( 0.000 -3.439 5.318) 6.333 14.164 ( 0.000 12.874 2.487) 13.112 14.327 ( 0.000 -11.378 6.420) 13.064 14.522 ( 0.000 17.800 3.748) 18.191 14.599 ( 0.000 8.809 0.360) 8.817 15.412 ( 0.000 1.124 -9.722) 9.787 15.796 ( 0.000 2.059 -3.908) 4.417 15.885 ( 0.000 5.086 -10.250) 11.443 15.951 ( 0.000 8.724 -5.734) 10.439 15.973 ( 0.000 -2.812 -8.438) 8.894 16.159 ( 0.000 -2.812 0.032) 2.812 16.269 ( 0.000 15.151 -6.885) 16.642 16.471 ( 0.000 0.264 -2.103) 2.119 16.688 ( 0.000 1.846 -6.441) 6.701 17.862 ( 0.000 -2.293 1.432) 2.704 18.196 ( 0.000 -4.977 -14.560) 15.387 18.308 ( 0.000 -3.457 -5.311) 6.337 18.886 ( 0.000 -26.653 5.084) 27.133 24.913 ( 0.000 1.796 6.983) 7.211 24.978 ( 0.000 1.515 5.588) 5.790 25.091 ( 0.000 -1.025 5.458) 5.553 25.184 ( 0.000 -1.521 4.638) 4.881 26.141 ( 0.000 9.264 2.112) 9.502 26.277 ( 0.000 23.607 -7.374) 24.732 26.384 ( 0.000 4.573 -1.501) 4.813 26.412 ( 0.000 -0.599 -2.299) 2.376 27.113 ( 0.000 -6.131 -7.589) 9.756 27.439 ( 0.000 1.723 -6.868) 7.081 27.552 ( 0.000 -3.357 -13.811) 14.213 27.787 ( 0.000 -4.145 -11.771) 12.479 29.175 ( 0.000 0.865 18.891) 18.911 29.248 ( 0.000 1.960 13.427) 13.569 29.357 ( 0.000 0.720 16.990) 17.005 30.534 ( 0.000 -23.448 7.740) 24.693 ======================= Grid point 76 (29/72) ======================= q-point: ( 0.20 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 25.187 12.418 33.035) 43.358 2.273 ( 17.602 20.488 37.378) 46.116 3.609 ( -17.859 16.891 23.250) 33.835 3.708 ( 15.116 22.894 58.223) 64.363 4.005 ( -25.971 4.934 18.878) 32.484 4.222 ( -1.604 -28.524 8.686) 29.861 4.476 ( 5.107 -22.833 4.567) 23.838 4.603 ( -10.788 -6.737 4.130) 13.373 4.890 ( 8.215 5.826 3.534) 10.673 5.022 ( -0.156 -6.544 3.188) 7.280 5.092 ( 4.312 1.489 -2.207) 5.067 5.140 ( 11.379 5.276 2.661) 12.822 5.162 ( -1.594 7.452 -3.496) 8.384 5.291 ( -6.891 8.395 1.353) 10.945 5.337 ( 2.556 11.297 3.611) 12.132 5.732 ( 0.701 2.903 0.192) 2.992 5.881 ( -4.979 7.906 0.413) 9.352 6.083 ( -9.876 3.733 6.368) 12.330 6.202 ( -7.074 1.663 5.661) 9.212 6.286 ( 1.866 -0.511 -0.022) 1.935 6.420 ( 4.075 0.495 -3.718) 5.538 6.600 ( 13.883 -3.557 0.942) 14.363 6.622 ( 0.650 1.865 -4.710) 5.107 6.754 ( -6.243 0.263 -3.089) 6.971 6.891 ( -1.542 -1.959 0.913) 2.655 6.921 ( 6.166 -1.768 -1.188) 6.524 7.093 ( 4.201 -0.605 -5.191) 6.705 7.260 ( 0.664 -2.320 -7.454) 7.835 7.325 ( -0.316 -7.582 -13.610) 15.583 7.484 ( -4.794 -2.127 -7.929) 9.507 7.547 ( -3.088 -3.571 -6.088) 7.704 7.764 ( 7.368 3.066 -4.941) 9.386 7.826 ( 0.948 -0.572 -3.345) 3.523 7.951 ( 0.588 -1.367 -2.900) 3.259 7.998 ( -1.098 1.099 2.792) 3.195 8.120 ( -2.684 -2.364 -3.073) 4.716 8.203 ( -1.098 -1.836 -6.096) 6.461 8.276 ( -7.670 0.461 -4.729) 9.023 8.396 ( -6.998 1.182 -8.434) 11.023 8.487 ( 0.268 -0.360 -5.149) 5.168 8.648 ( -4.183 -3.677 -6.311) 8.417 8.715 ( 4.343 0.362 -7.826) 8.957 8.818 ( 2.945 1.862 -13.531) 13.972 9.119 ( -6.196 -10.846 -13.746) 18.573 9.157 ( -5.054 -0.236 -4.178) 6.561 9.232 ( 6.296 -1.503 -4.890) 8.112 9.453 ( -12.080 5.095 -2.379) 13.324 9.660 ( 8.373 -3.927 -0.539) 9.264 9.717 ( -1.966 -6.601 -2.812) 7.439 9.750 ( 10.014 -0.371 -4.887) 11.149 10.035 ( 2.456 -4.240 -0.147) 4.902 10.136 ( 1.385 -1.971 3.828) 4.523 10.285 ( 5.226 3.323 -2.031) 6.518 10.331 ( 1.819 3.075 0.100) 3.575 10.351 ( 7.391 -3.894 -6.421) 10.537 10.565 ( 1.855 -2.972 -0.308) 3.517 10.646 ( -2.636 2.327 0.785) 3.603 10.662 ( -5.220 3.465 -3.218) 7.043 10.768 ( -3.305 4.641 -2.446) 6.200 10.855 ( 0.715 5.053 -2.704) 5.775 11.057 ( 6.077 -6.151 4.896) 9.936 11.199 ( -0.162 -1.476 -6.792) 6.952 11.230 ( -1.391 -1.669 -2.728) 3.487 11.254 ( 0.777 1.887 -6.595) 6.903 11.313 ( 1.620 1.397 0.064) 2.140 11.455 ( -4.312 -1.093 -6.740) 8.075 11.649 ( -4.360 4.506 3.586) 7.223 11.729 ( 1.485 4.185 -0.407) 4.459 11.879 ( 0.107 -2.796 -6.548) 7.121 11.989 ( 1.685 -1.204 0.048) 2.071 12.060 ( 1.218 -0.624 -3.216) 3.495 12.217 ( 2.374 2.093 -4.112) 5.189 12.316 ( 3.294 -2.449 1.117) 4.253 12.514 ( 5.046 -0.288 -6.656) 8.357 12.635 ( -0.712 4.871 -0.802) 4.988 12.698 ( 2.438 1.668 -3.541) 4.611 12.885 ( -6.781 0.336 5.422) 8.689 12.949 ( -0.117 2.203 4.270) 4.806 13.012 ( -4.914 0.674 4.088) 6.428 13.314 ( 2.462 -7.535 6.070) 9.984 13.390 ( 8.321 -3.219 2.639) 9.304 13.451 ( -4.068 -2.511 -2.823) 5.551 13.491 ( 3.953 -5.317 10.268) 12.221 13.722 ( -8.149 -7.313 11.965) 16.219 13.920 ( 1.829 -4.374 8.109) 9.394 13.990 ( 4.212 -0.284 8.062) 9.100 14.129 ( -0.441 -0.974 4.071) 4.209 14.155 ( -0.235 9.006 3.688) 9.735 14.312 ( -1.323 -9.682 6.124) 11.532 14.426 ( -5.243 12.659 7.690) 15.712 14.721 ( 7.141 8.228 -4.478) 11.779 15.290 ( -10.743 2.568 -7.671) 13.448 15.769 ( -1.261 2.267 -3.215) 4.131 15.848 ( -2.256 0.002 -7.088) 7.438 15.945 ( 0.521 7.169 -3.738) 8.102 16.106 ( 3.961 0.916 -9.408) 10.249 16.153 ( 3.834 3.387 -4.954) 7.121 16.302 ( 2.877 8.324 -3.351) 9.423 16.479 ( 0.719 1.748 -3.184) 3.703 16.662 ( -2.602 2.885 -8.364) 9.222 17.914 ( 5.356 -3.022 2.300) 6.566 18.201 ( 0.594 -4.923 -13.199) 14.099 18.287 ( -1.987 -3.669 -6.173) 7.451 18.703 ( -16.013 -20.088 8.089) 26.933 24.920 ( 0.642 1.848 6.884) 7.157 24.969 ( -0.770 1.709 5.901) 6.191 25.110 ( 1.536 -1.217 5.134) 5.495 25.180 ( -0.444 -1.505 4.657) 4.914 26.136 ( -0.508 9.767 2.223) 10.030 26.170 ( -4.083 15.997 0.223) 16.512 26.466 ( 9.343 0.207 -1.097) 9.409 26.734 ( 22.124 5.260 -14.749) 27.105 27.134 ( 1.251 -7.093 -7.344) 10.286 27.353 ( -7.185 2.981 -6.937) 10.423 27.514 ( -3.817 -3.183 -13.273) 14.173 27.724 ( -6.596 -3.887 -14.075) 16.022 29.242 ( 4.301 0.169 16.953) 17.491 29.262 ( 2.427 2.246 16.069) 16.406 29.368 ( 2.490 -0.340 17.053) 17.237 30.325 ( -18.892 -18.030 13.475) 29.386 ======================= Grid point 77 (30/72) ======================= q-point: ( 0.40 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 25.131 15.177 30.410) 42.270 2.789 ( 31.487 10.636 26.831) 42.714 3.127 ( -26.734 15.515 25.212) 39.888 3.399 ( -30.555 7.430 21.561) 38.128 4.234 ( 5.380 -21.438 9.944) 24.237 4.269 ( 21.444 8.119 32.286) 39.600 4.399 ( -2.019 -9.535 10.061) 14.008 4.581 ( 3.148 -15.398 6.602) 17.046 4.911 ( -4.463 -11.965 5.424) 13.875 5.044 ( 6.572 7.746 1.981) 10.350 5.065 ( -11.222 4.992 7.421) 14.350 5.124 ( -0.611 5.835 -2.980) 6.580 5.180 ( -2.611 8.867 1.152) 9.315 5.209 ( -7.462 9.927 11.789) 17.123 5.518 ( 8.315 8.947 8.571) 14.921 5.660 ( -11.319 9.008 14.953) 20.805 5.804 ( 5.328 12.045 0.409) 13.177 5.852 ( -4.446 17.951 7.126) 19.819 6.093 ( 0.532 3.610 -3.821) 5.283 6.291 ( -9.643 -6.121 -6.420) 13.103 6.474 ( 2.846 -1.835 -4.400) 5.553 6.584 ( -6.898 -9.658 -7.476) 14.027 6.734 ( 8.965 -5.175 -7.339) 12.689 6.850 ( -0.574 1.684 -1.551) 2.360 6.960 ( 11.672 0.393 -3.584) 12.216 7.061 ( 14.726 -8.255 -5.814) 17.855 7.163 ( -3.673 -3.108 -9.745) 10.868 7.265 ( 6.797 0.421 -2.245) 7.171 7.317 ( -6.813 -3.701 -9.226) 12.051 7.415 ( -2.755 4.398 -8.088) 9.610 7.557 ( 1.821 -2.287 -6.952) 7.542 7.642 ( -11.855 -4.727 -0.643) 12.779 7.900 ( -0.014 2.348 -2.041) 3.111 7.955 ( -4.062 -0.198 -3.035) 5.074 8.005 ( 8.184 -5.484 -6.959) 12.062 8.113 ( -1.145 -2.989 -3.343) 4.629 8.165 ( -1.926 -8.118 -4.598) 9.526 8.227 ( -4.161 -0.261 -5.012) 6.520 8.319 ( 9.526 -4.601 -2.369) 10.841 8.535 ( -7.056 -4.472 -4.714) 9.593 8.550 ( 6.238 2.386 -4.725) 8.181 8.750 ( -10.340 -2.843 -16.100) 19.345 8.808 ( 3.502 -0.586 -16.714) 17.087 8.916 ( -8.218 10.449 -6.970) 15.010 9.075 ( -2.944 -9.080 -2.224) 9.801 9.124 ( -6.631 -7.524 -0.383) 10.036 9.521 ( 8.425 6.978 -9.267) 14.337 9.648 ( -4.654 2.855 -8.461) 10.070 9.820 ( 8.026 -0.100 2.724) 8.477 9.963 ( -6.002 2.024 4.897) 8.006 10.054 ( 15.393 -5.601 2.304) 16.542 10.205 ( 1.360 -8.529 -0.904) 8.684 10.326 ( 0.035 0.170 -1.479) 1.489 10.352 ( -2.406 -2.981 -6.928) 7.916 10.448 ( -3.754 4.512 1.385) 6.030 10.499 ( -4.179 3.983 0.488) 5.794 10.587 ( 9.583 -3.940 -1.873) 10.529 10.732 ( -1.809 -2.217 -1.085) 3.060 10.761 ( 8.063 1.984 -2.148) 8.577 10.954 ( 8.055 6.342 -3.169) 10.731 10.999 ( -9.919 0.618 -1.136) 10.003 11.122 ( -8.708 -0.474 -1.749) 8.895 11.256 ( 3.164 1.254 -6.030) 6.924 11.309 ( 0.007 0.837 -5.423) 5.487 11.384 ( 7.391 -1.319 -1.946) 7.756 11.435 ( 4.388 1.610 -2.003) 5.086 11.546 ( -5.789 2.138 1.545) 6.362 11.591 ( -10.662 2.534 2.230) 11.184 11.985 ( 5.098 -2.223 -1.705) 5.817 12.047 ( -1.727 0.079 -1.529) 2.308 12.066 ( 7.130 2.034 -2.846) 7.942 12.244 ( -7.008 -2.890 0.108) 7.581 12.388 ( 7.878 3.563 -0.712) 8.676 12.508 ( 3.471 0.116 -1.310) 3.712 12.596 ( -4.918 -2.165 -4.307) 6.887 12.678 ( -8.080 -0.685 0.952) 8.165 12.878 ( 3.684 2.908 2.636) 5.383 12.940 ( -3.120 -0.402 2.550) 4.049 13.036 ( 9.916 -0.782 -3.323) 10.487 13.254 ( -9.760 -2.576 -7.765) 12.735 13.412 ( 4.114 -6.920 2.919) 8.564 13.485 ( -1.539 -5.640 0.058) 5.846 13.566 ( 4.050 -3.063 11.426) 12.504 13.622 ( -2.619 -3.012 12.660) 13.275 13.979 ( 4.273 -3.250 4.217) 6.827 14.051 ( -1.258 -1.735 4.162) 4.682 14.129 ( 3.207 5.229 8.385) 10.389 14.167 ( 0.503 0.699 7.120) 7.171 14.284 ( -0.943 -5.165 6.288) 8.192 14.326 ( -4.946 8.022 8.773) 12.875 14.863 ( 8.373 5.664 -6.494) 12.014 15.061 ( -11.688 4.121 -6.043) 13.788 15.765 ( 0.864 1.554 -3.138) 3.607 15.799 ( -2.422 1.027 -4.444) 5.164 15.984 ( 3.198 5.809 -2.413) 7.057 16.057 ( -3.968 5.229 -3.500) 7.439 16.306 ( 6.078 -0.082 -6.459) 8.869 16.349 ( 1.055 2.075 -2.243) 3.233 16.506 ( 2.695 5.597 -8.126) 10.228 16.588 ( -4.771 5.386 -11.576) 13.630 18.065 ( 9.725 -5.004 3.497) 11.482 18.213 ( -2.010 -4.703 -6.315) 8.127 18.246 ( 0.331 -4.925 -8.561) 9.882 18.386 ( -14.016 -10.603 6.233) 18.648 24.935 ( 0.858 1.921 6.629) 6.955 24.952 ( -0.880 1.891 6.294) 6.630 25.141 ( 1.508 -1.338 4.887) 5.286 25.166 ( -1.023 -1.439 4.742) 5.060 26.126 ( -0.345 11.416 2.402) 11.671 26.129 ( -0.781 12.400 2.403) 12.655 26.710 ( 14.761 -0.407 -2.111) 14.917 26.985 ( -10.019 -1.996 -4.721) 11.254 27.201 ( 17.082 -1.457 -18.434) 25.174 27.312 ( 4.217 0.024 -10.791) 11.586 27.415 ( -6.056 -2.632 -11.884) 13.595 27.528 ( -13.529 -2.863 -18.278) 22.920 29.275 ( 1.243 1.274 14.919) 15.025 29.295 ( -0.502 1.482 16.570) 16.644 29.553 ( 15.461 -4.358 19.894) 25.569 29.916 ( -21.081 -9.836 19.372) 30.273 ======================= Grid point 80 (31/72) ======================= q-point: ( 0.00 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 0.000 27.560 30.488) 41.099 2.599 ( 0.000 28.321 32.826) 43.355 3.541 ( 0.000 -33.850 18.782) 38.711 3.838 ( 0.000 -32.949 13.418) 35.577 4.118 ( 0.000 35.436 41.167) 54.318 4.359 ( 0.000 23.417 22.088) 32.191 4.504 ( 0.000 1.919 -2.704) 3.315 4.797 ( 0.000 11.795 20.393) 23.558 4.833 ( 0.000 0.846 2.711) 2.840 4.871 ( 0.000 6.503 -0.882) 6.562 4.938 ( 0.000 -6.791 0.838) 6.842 5.155 ( 0.000 -0.215 -8.300) 8.303 5.301 ( 0.000 -1.227 4.285) 4.458 5.378 ( 0.000 -3.376 -0.440) 3.404 5.495 ( 0.000 4.679 -5.059) 6.891 5.736 ( 0.000 -2.972 4.561) 5.444 5.908 ( 0.000 -21.731 11.582) 24.625 5.919 ( 0.000 10.773 7.314) 13.021 6.043 ( 0.000 -0.766 -1.915) 2.063 6.523 ( 0.000 5.880 -0.092) 5.881 6.552 ( 0.000 5.176 -7.681) 9.262 6.629 ( 0.000 13.708 1.009) 13.745 6.694 ( 0.000 -5.030 6.864) 8.509 6.857 ( 0.000 6.487 -1.094) 6.579 6.898 ( 0.000 4.533 -3.203) 5.551 6.923 ( 0.000 -10.018 -9.256) 13.640 6.998 ( 0.000 9.461 -8.402) 12.653 7.048 ( 0.000 -16.294 -12.175) 20.340 7.113 ( 0.000 -3.061 -2.821) 4.163 7.424 ( 0.000 -7.314 -8.735) 11.393 7.523 ( 0.000 0.371 -5.910) 5.922 7.751 ( 0.000 -8.646 -2.898) 9.119 7.778 ( 0.000 -2.351 -3.153) 3.933 7.921 ( 0.000 -16.114 3.538) 16.498 7.935 ( 0.000 4.039 -0.676) 4.095 8.105 ( 0.000 -3.797 6.066) 7.157 8.196 ( 0.000 8.473 -6.001) 10.383 8.398 ( 0.000 -4.589 -10.553) 11.508 8.618 ( 0.000 7.947 -4.219) 8.998 8.649 ( 0.000 1.699 4.659) 4.959 8.703 ( 0.000 8.802 -2.242) 9.083 8.798 ( 0.000 11.240 -4.307) 12.037 8.798 ( 0.000 3.765 -17.948) 18.339 8.966 ( 0.000 -0.335 -9.417) 9.422 9.120 ( 0.000 1.673 -9.226) 9.376 9.233 ( 0.000 -6.101 -10.537) 12.176 9.321 ( 0.000 -10.375 -4.571) 11.337 9.539 ( 0.000 -11.820 -5.317) 12.961 9.608 ( 0.000 0.414 -0.695) 0.809 9.779 ( 0.000 1.476 -8.106) 8.240 9.862 ( 0.000 0.673 3.081) 3.154 10.059 ( 0.000 -10.377 -2.937) 10.784 10.155 ( 0.000 -1.240 -2.883) 3.139 10.261 ( 0.000 -2.877 -3.396) 4.451 10.509 ( 0.000 11.039 1.998) 11.218 10.510 ( 0.000 0.793 -3.661) 3.746 10.638 ( 0.000 -3.191 -0.752) 3.278 10.726 ( 0.000 -3.402 0.030) 3.403 10.729 ( 0.000 -2.301 -1.712) 2.868 10.857 ( 0.000 -0.251 -2.416) 2.429 11.151 ( 0.000 -4.118 -4.428) 6.047 11.174 ( 0.000 2.957 -1.713) 3.417 11.197 ( 0.000 2.618 2.277) 3.470 11.270 ( 0.000 1.976 -7.299) 7.562 11.395 ( 0.000 0.040 -3.294) 3.294 11.410 ( 0.000 -8.701 -12.887) 15.549 11.575 ( 0.000 4.461 -6.825) 8.154 11.784 ( 0.000 3.876 1.609) 4.197 11.839 ( 0.000 -8.457 -8.905) 12.281 11.930 ( 0.000 -3.289 0.750) 3.373 12.063 ( 0.000 5.642 -0.514) 5.665 12.243 ( 0.000 -2.084 -0.543) 2.154 12.373 ( 0.000 9.190 -3.037) 9.679 12.484 ( 0.000 2.198 -4.006) 4.570 12.623 ( 0.000 8.236 0.889) 8.284 12.885 ( 0.000 -2.911 0.903) 3.048 12.959 ( 0.000 8.271 6.146) 10.304 13.069 ( 0.000 3.751 5.965) 7.047 13.072 ( 0.000 -5.184 -1.153) 5.311 13.121 ( 0.000 -1.975 3.022) 3.610 13.224 ( 0.000 -2.812 12.599) 12.909 13.370 ( 0.000 0.236 8.745) 8.748 13.381 ( 0.000 -9.917 1.677) 10.058 13.620 ( 0.000 -10.545 10.475) 14.863 13.869 ( 0.000 2.316 7.237) 7.598 13.946 ( 0.000 0.669 6.236) 6.272 14.040 ( 0.000 -5.454 6.841) 8.749 14.123 ( 0.000 -8.910 2.609) 9.284 14.433 ( 0.000 13.347 1.042) 13.388 14.677 ( 0.000 0.317 -2.142) 2.166 14.889 ( 0.000 18.923 4.105) 19.363 15.361 ( 0.000 -5.565 -3.618) 6.638 15.817 ( 0.000 1.331 -3.350) 3.605 15.908 ( 0.000 -3.564 -6.004) 6.982 16.020 ( 0.000 5.478 -4.038) 6.806 16.106 ( 0.000 -2.184 1.485) 2.641 16.188 ( 0.000 13.137 -10.693) 16.939 16.461 ( 0.000 -1.840 -4.769) 5.111 16.532 ( 0.000 11.436 -5.113) 12.528 16.715 ( 0.000 0.443 -5.697) 5.714 17.838 ( 0.000 0.854 -3.878) 3.971 18.066 ( 0.000 -8.187 -13.705) 15.964 18.231 ( 0.000 -3.707 -2.979) 4.756 18.419 ( 0.000 -18.761 8.961) 20.791 24.959 ( 0.000 2.840 6.581) 7.167 25.021 ( 0.000 2.920 5.668) 6.376 25.062 ( 0.000 -2.059 5.697) 6.058 25.142 ( 0.000 -2.772 4.930) 5.656 26.354 ( 0.000 5.612 -1.574) 5.829 26.397 ( 0.000 9.874 -0.774) 9.904 26.398 ( 0.000 -0.892 -1.973) 2.165 26.830 ( 0.000 25.025 -18.859) 31.335 26.941 ( 0.000 -11.777 -6.587) 13.494 27.445 ( 0.000 -8.268 -16.699) 18.634 27.489 ( 0.000 3.543 -7.334) 8.144 27.685 ( 0.000 -6.078 -9.899) 11.616 29.199 ( 0.000 1.570 17.677) 17.747 29.262 ( 0.000 -0.891 14.273) 14.301 29.435 ( 0.000 8.372 19.397) 21.126 30.059 ( 0.000 -23.809 18.645) 30.241 ======================= Grid point 81 (32/72) ======================= q-point: ( 0.20 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 19.291 22.675 26.768) 40.035 2.735 ( 13.585 26.633 30.865) 42.971 3.576 ( 3.573 -28.978 16.904) 33.738 3.915 ( 4.576 -27.727 12.595) 30.795 4.023 ( -19.552 11.510 16.115) 27.829 4.129 ( -23.339 11.743 11.992) 28.748 4.319 ( 10.260 29.707 36.089) 47.856 4.484 ( -19.374 -5.602 10.373) 22.679 4.812 ( -8.802 -11.250 6.237) 15.587 5.057 ( 11.674 10.564 2.729) 15.979 5.126 ( 5.376 0.365 -3.725) 6.551 5.287 ( 17.684 9.140 1.717) 19.980 5.304 ( 0.354 6.925 -1.009) 7.007 5.447 ( 0.147 5.702 -1.694) 5.950 5.545 ( 6.510 8.338 -1.871) 10.742 5.757 ( 4.605 -2.214 3.165) 6.011 5.950 ( 4.439 -3.907 7.104) 9.243 6.059 ( 6.563 -5.527 3.794) 9.381 6.118 ( 9.992 -6.216 1.560) 11.871 6.350 ( -17.669 11.284 8.137) 22.489 6.528 ( 0.202 2.672 -6.320) 6.865 6.577 ( -2.033 5.625 4.587) 7.538 6.640 ( -5.868 -3.252 -3.219) 7.442 6.758 ( -7.601 1.571 -3.970) 8.718 6.849 ( -2.933 -2.871 -1.196) 4.276 6.971 ( 1.128 6.266 -0.080) 6.367 7.053 ( 1.318 -8.113 -8.852) 12.080 7.115 ( 4.603 -6.747 -11.938) 14.464 7.217 ( 10.007 -1.728 -5.049) 11.341 7.382 ( -3.437 -5.558 -8.766) 10.934 7.553 ( 1.544 3.364 -5.627) 6.735 7.713 ( -1.155 -8.590 1.621) 8.818 7.774 ( 1.632 -3.199 -6.040) 7.027 7.905 ( -0.624 -13.817 4.052) 14.412 7.936 ( -2.627 1.680 1.391) 3.414 8.058 ( -5.372 -4.038 0.503) 6.739 8.157 ( -1.494 0.243 -6.314) 6.493 8.237 ( -12.064 -3.881 -4.192) 13.348 8.513 ( -11.810 6.434 -6.763) 15.054 8.570 ( -4.265 2.545 1.243) 5.120 8.649 ( -2.605 7.010 -11.353) 13.595 8.755 ( 1.592 5.352 -6.017) 8.209 8.814 ( -5.138 -2.257 -12.881) 14.050 8.930 ( -3.926 -7.098 -9.636) 12.595 9.124 ( -0.361 1.530 -10.405) 10.523 9.337 ( 7.733 9.245 -4.355) 12.816 9.475 ( 2.812 -2.812 -3.010) 4.988 9.580 ( 10.540 -3.799 -7.438) 13.448 9.674 ( 2.703 1.647 -3.953) 5.064 9.753 ( 1.914 0.573 -3.654) 4.165 9.867 ( 5.369 -10.590 -4.105) 12.563 10.090 ( -2.822 -5.667 -3.302) 7.140 10.205 ( 6.747 -5.383 0.312) 8.637 10.273 ( 0.473 -4.650 -0.676) 4.723 10.467 ( 0.510 5.026 -2.254) 5.532 10.592 ( 5.353 6.843 -1.959) 8.906 10.649 ( -2.171 -0.661 3.354) 4.049 10.729 ( 4.742 1.193 -2.203) 5.363 10.785 ( -5.662 0.596 -3.357) 6.609 10.916 ( 7.398 -7.320 0.072) 10.407 11.003 ( -3.909 6.128 -2.922) 7.833 11.127 ( -2.279 -1.067 -0.188) 2.524 11.237 ( 0.209 -5.190 -3.653) 6.351 11.271 ( -4.195 -4.436 -1.232) 6.228 11.310 ( 1.811 5.649 -7.439) 9.514 11.459 ( 0.788 2.231 -6.915) 7.309 11.644 ( 0.090 -4.925 -5.860) 7.655 11.810 ( 5.715 1.870 -4.582) 7.560 11.875 ( -4.547 3.055 1.807) 5.769 11.909 ( 5.061 -4.063 -2.343) 6.900 12.092 ( 1.179 3.768 -0.797) 4.028 12.229 ( -1.427 -1.053 -1.141) 2.109 12.393 ( 3.678 7.633 -0.817) 8.512 12.506 ( 0.586 0.192 -8.272) 8.295 12.711 ( 3.931 1.846 -1.437) 4.574 12.741 ( -7.934 2.322 -0.738) 8.300 12.916 ( -2.554 0.672 4.019) 4.809 12.990 ( -2.920 4.272 0.948) 5.261 13.013 ( -7.638 -0.366 5.304) 9.306 13.190 ( 2.628 -3.225 6.210) 7.475 13.304 ( 8.011 -5.740 6.270) 11.681 13.344 ( -2.434 -8.876 0.700) 9.230 13.431 ( 2.519 0.453 6.969) 7.424 13.594 ( -1.889 -6.394 10.536) 12.468 13.885 ( 1.420 1.271 7.728) 7.960 13.964 ( 1.773 -0.889 7.785) 8.033 14.049 ( 0.619 -5.196 6.554) 8.387 14.097 ( -2.435 -8.200 3.712) 9.324 14.447 ( 1.678 14.027 1.433) 14.199 14.675 ( -0.452 6.148 0.870) 6.225 14.865 ( -1.608 11.320 0.734) 11.457 15.263 ( -9.079 -4.848 -2.557) 10.605 15.817 ( -0.041 2.450 -1.747) 3.010 15.882 ( -0.935 1.032 -6.267) 6.420 16.010 ( -1.784 0.688 -0.266) 1.931 16.093 ( -0.456 -2.204 -2.504) 3.367 16.280 ( 6.885 10.353 -7.815) 14.686 16.496 ( 2.964 2.556 -6.663) 7.728 16.526 ( -0.252 8.547 -3.824) 9.367 16.708 ( -0.858 1.073 -7.549) 7.673 17.873 ( 3.578 -0.153 -2.711) 4.491 18.074 ( 0.899 -7.861 -12.374) 14.687 18.204 ( -2.681 -4.228 -3.714) 6.233 18.337 ( -7.527 -15.171 7.802) 18.647 24.967 ( 0.773 2.947 6.476) 7.157 25.015 ( -0.552 3.006 5.758) 6.519 25.077 ( 1.285 -2.223 5.515) 6.083 25.139 ( -0.410 -2.766 4.953) 5.688 26.376 ( 0.869 13.039 -1.300) 13.133 26.402 ( 0.330 7.846 -1.201) 7.945 26.471 ( 8.404 0.502 -1.156) 8.498 26.920 ( 5.486 5.344 -14.384) 16.296 26.966 ( 5.209 -2.369 -11.537) 12.878 27.414 ( -3.452 -5.654 -14.820) 16.233 27.422 ( -5.571 2.344 -9.352) 11.135 27.626 ( -6.054 -5.959 -11.884) 14.608 29.249 ( 3.950 0.604 17.312) 17.767 29.288 ( 3.518 -0.488 16.076) 16.464 29.416 ( -1.724 6.779 19.070) 20.312 29.945 ( -10.742 -19.740 19.863) 29.993 ======================= Grid point 82 (33/72) ======================= q-point: ( 0.40 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 26.044 17.024 21.756) 37.966 3.103 ( 23.378 21.057 25.051) 40.217 3.442 ( -24.984 14.824 19.104) 34.770 3.599 ( -25.665 11.296 16.719) 32.647 3.792 ( 7.897 -18.980 13.231) 24.447 4.068 ( -16.062 -15.650 10.437) 24.735 4.157 ( 10.535 -25.449 12.005) 30.046 4.407 ( -10.906 -15.243 10.339) 21.405 4.907 ( 21.913 20.687 24.797) 39.026 5.213 ( 2.352 5.576 -3.125) 6.811 5.228 ( -4.261 8.726 -1.689) 9.857 5.238 ( 4.508 8.580 -0.370) 9.699 5.378 ( -1.825 12.437 4.978) 13.520 5.515 ( -4.347 22.132 15.019) 27.098 5.723 ( 9.757 9.708 -0.746) 13.784 5.896 ( -13.344 13.809 7.652) 20.671 5.931 ( 13.261 1.254 -1.561) 13.411 6.093 ( 6.111 1.102 2.907) 6.857 6.188 ( -4.839 -3.859 1.893) 6.473 6.208 ( -3.554 3.818 -0.046) 5.216 6.431 ( -5.384 -0.551 -1.211) 5.546 6.493 ( -6.496 -1.974 -1.406) 6.934 6.634 ( 9.100 0.608 -4.676) 10.249 6.763 ( 4.730 -14.132 -0.464) 14.910 6.852 ( 0.437 -6.018 -4.638) 7.611 6.952 ( 4.238 -0.333 -2.572) 4.969 7.014 ( -6.191 -17.695 -5.736) 19.604 7.122 ( -6.101 -9.413 -6.259) 12.845 7.316 ( 4.439 4.198 -3.637) 7.111 7.468 ( -9.190 2.437 1.060) 9.566 7.493 ( 8.752 -2.924 -6.762) 11.440 7.642 ( -6.373 -0.976 -5.298) 8.345 7.853 ( 5.658 -5.593 -1.127) 8.035 7.895 ( 1.101 -1.808 -2.751) 3.471 7.943 ( 1.127 -4.513 -0.971) 4.752 7.969 ( -1.735 -10.158 0.461) 10.315 8.078 ( -0.383 -0.246 -4.513) 4.536 8.188 ( 2.899 -5.778 -3.793) 7.495 8.266 ( -10.462 1.839 -5.460) 11.944 8.412 ( -11.750 -6.574 0.784) 13.487 8.663 ( 3.065 4.705 -15.223) 16.226 8.712 ( -2.672 -0.283 -16.351) 16.570 8.810 ( 3.215 -0.773 -10.766) 11.263 8.876 ( -3.312 -8.818 -2.468) 9.737 9.109 ( 0.498 10.502 -6.955) 12.607 9.205 ( -9.191 19.079 -5.169) 21.799 9.640 ( 6.599 3.454 -12.425) 14.486 9.720 ( -0.071 3.752 -10.441) 11.095 9.794 ( 9.141 -2.661 -3.312) 10.080 9.870 ( 6.235 -9.903 -3.231) 12.141 9.945 ( 1.314 -10.285 -1.653) 10.499 10.019 ( -3.967 -9.211 -3.090) 10.494 10.267 ( 4.004 -1.023 0.322) 4.145 10.367 ( 3.426 0.672 3.254) 4.772 10.455 ( -3.045 -0.137 4.577) 5.499 10.561 ( -6.338 0.083 3.900) 7.442 10.638 ( 2.680 7.320 -6.018) 9.848 10.717 ( -1.390 2.832 -4.364) 5.385 10.825 ( 8.163 2.871 -1.887) 8.857 10.977 ( -1.243 -2.286 -0.168) 2.608 11.069 ( -0.971 -2.552 -0.303) 2.747 11.078 ( -2.333 1.706 0.000) 2.890 11.192 ( 3.707 -5.612 -3.671) 7.662 11.253 ( -1.053 -6.499 -5.935) 8.864 11.417 ( 9.223 5.902 -2.279) 11.185 11.501 ( 3.375 4.116 -3.420) 6.326 11.582 ( -4.537 1.764 -2.202) 5.343 11.679 ( -11.985 3.606 -2.087) 12.688 11.951 ( 5.035 0.189 -3.209) 5.974 12.037 ( -0.684 -0.309 -1.228) 1.439 12.083 ( 5.754 -0.531 0.643) 5.814 12.196 ( -2.712 -2.096 0.033) 3.427 12.472 ( 1.667 1.930 -2.989) 3.929 12.524 ( -3.149 1.478 -6.829) 7.664 12.575 ( 3.155 2.724 -3.480) 5.430 12.728 ( -7.650 0.432 -1.913) 7.898 12.870 ( -1.170 -0.308 4.458) 4.620 12.909 ( -3.620 0.735 1.872) 4.142 13.016 ( 8.579 -2.714 -1.892) 9.195 13.197 ( -8.095 -4.514 -4.483) 10.295 13.315 ( 6.298 -1.880 4.330) 7.871 13.422 ( -3.358 -0.656 4.920) 5.992 13.470 ( 6.552 -6.271 6.876) 11.381 13.558 ( -2.556 -4.196 8.924) 10.187 13.925 ( 2.845 -0.514 6.644) 7.246 13.982 ( -1.588 -2.912 6.582) 7.370 14.048 ( -0.097 -4.892 6.558) 8.182 14.060 ( -0.641 -6.364 9.394) 11.365 14.511 ( 4.994 15.802 3.041) 16.849 14.622 ( -5.313 16.247 4.429) 17.659 14.893 ( 5.559 -1.827 -2.542) 6.380 15.060 ( -10.577 -3.910 -1.584) 11.387 15.827 ( 1.293 4.087 -1.453) 4.526 15.861 ( -1.738 4.433 -3.115) 5.690 16.006 ( 1.807 -2.971 -0.871) 3.585 16.058 ( -2.863 -3.697 -1.359) 4.869 16.406 ( 5.449 9.060 -4.744) 11.587 16.484 ( -2.681 9.743 -3.016) 10.545 16.592 ( 4.794 2.311 -9.745) 11.104 16.672 ( -3.052 2.215 -10.203) 10.878 17.975 ( 6.794 -2.914 0.230) 7.396 18.098 ( -0.464 -6.392 -5.213) 8.262 18.130 ( -3.477 -6.327 -4.795) 8.667 18.186 ( -6.041 -8.650 -0.598) 10.568 24.985 ( 0.939 3.126 6.233) 7.036 25.002 ( -0.786 3.166 5.966) 6.799 25.104 ( 1.336 -2.514 5.243) 5.967 25.126 ( -0.908 -2.699 5.050) 5.798 26.389 ( 0.657 15.268 -0.816) 15.304 26.401 ( -0.406 13.918 -0.715) 13.942 26.689 ( 12.544 -2.240 -1.946) 12.890 26.894 ( -6.701 -8.149 -3.759) 11.199 27.194 ( 13.650 1.369 -18.657) 23.158 27.323 ( -1.765 1.404 -12.012) 12.222 27.344 ( -3.730 -4.541 -14.367) 15.522 27.454 ( -11.252 -4.508 -15.976) 20.054 29.305 ( 2.602 2.057 16.631) 16.958 29.355 ( -1.871 4.794 18.205) 18.918 29.455 ( 10.021 -5.197 19.761) 22.758 29.696 ( -13.583 -11.989 20.884) 27.647 ======================= Grid point 85 (34/72) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 0.000 -29.061 23.336) 37.271 2.839 ( 0.000 29.061 23.336) 37.271 3.227 ( 0.000 -27.744 23.107) 36.106 3.227 ( 0.000 27.744 23.107) 36.106 4.509 ( 0.000 -5.102 5.329) 7.378 4.509 ( 0.000 5.102 5.329) 7.378 4.833 ( 0.000 -0.670 5.086) 5.130 4.833 ( 0.000 0.670 5.086) 5.130 4.933 ( 0.000 -25.148 20.865) 32.677 4.933 ( 0.000 25.148 20.865) 32.677 4.966 ( 0.000 -6.068 3.288) 6.902 4.966 ( 0.000 6.068 3.288) 6.902 5.234 ( 0.000 -11.180 6.251) 12.809 5.234 ( 0.000 11.180 6.251) 12.809 5.597 ( 0.000 -6.806 2.315) 7.189 5.597 ( 0.000 6.806 2.315) 7.189 5.837 ( 0.000 -8.084 2.078) 8.347 5.837 ( 0.000 8.084 2.078) 8.347 6.368 ( 0.000 -22.086 0.389) 22.089 6.368 ( 0.000 22.086 0.389) 22.089 6.650 ( 0.000 -5.901 2.080) 6.257 6.650 ( 0.000 5.901 2.080) 6.257 6.718 ( 0.000 -0.948 -8.777) 8.828 6.718 ( 0.000 0.948 -8.777) 8.828 6.961 ( 0.000 -1.336 -12.512) 12.583 6.961 ( 0.000 1.336 -12.512) 12.583 6.992 ( 0.000 -3.435 -1.768) 3.863 6.992 ( 0.000 3.435 -1.768) 3.863 7.262 ( 0.000 -9.630 -8.233) 12.669 7.262 ( 0.000 9.630 -8.233) 12.669 7.599 ( 0.000 -11.879 5.690) 13.171 7.599 ( 0.000 11.879 5.690) 13.171 7.706 ( 0.000 -3.906 -3.081) 4.975 7.706 ( 0.000 3.906 -3.081) 4.975 8.023 ( 0.000 -4.541 1.433) 4.762 8.023 ( 0.000 4.541 1.433) 4.762 8.312 ( 0.000 -4.479 -7.180) 8.462 8.312 ( 0.000 4.479 -7.180) 8.462 8.676 ( 0.000 -0.441 7.290) 7.303 8.676 ( 0.000 0.441 7.290) 7.303 8.842 ( 0.000 -1.790 -14.027) 14.141 8.842 ( 0.000 1.790 -14.027) 14.141 8.945 ( 0.000 -3.758 -10.005) 10.688 8.945 ( 0.000 3.758 -10.005) 10.688 9.181 ( 0.000 -1.954 -3.704) 4.187 9.181 ( 0.000 1.954 -3.704) 4.187 9.293 ( 0.000 -13.182 -12.696) 18.302 9.293 ( 0.000 13.182 -12.696) 18.302 9.682 ( 0.000 -7.860 0.465) 7.874 9.682 ( 0.000 7.860 0.465) 7.874 9.938 ( 0.000 -4.583 -2.471) 5.207 9.938 ( 0.000 4.583 -2.471) 5.207 10.164 ( 0.000 -3.905 -3.066) 4.965 10.164 ( 0.000 3.905 -3.066) 4.965 10.544 ( 0.000 -2.786 -5.421) 6.095 10.544 ( 0.000 2.786 -5.421) 6.095 10.687 ( 0.000 -2.185 -0.636) 2.275 10.687 ( 0.000 2.185 -0.636) 2.275 10.765 ( 0.000 -8.156 0.516) 8.172 10.765 ( 0.000 8.156 0.516) 8.172 11.143 ( 0.000 -3.683 0.654) 3.740 11.143 ( 0.000 3.683 0.654) 3.740 11.262 ( 0.000 -4.394 -4.093) 6.005 11.262 ( 0.000 4.394 -4.093) 6.005 11.357 ( 0.000 -2.366 -9.505) 9.795 11.357 ( 0.000 2.366 -9.505) 9.795 11.695 ( 0.000 -6.969 -11.416) 13.375 11.695 ( 0.000 6.969 -11.416) 13.375 11.856 ( 0.000 -3.970 3.892) 5.559 11.856 ( 0.000 3.970 3.892) 5.559 12.173 ( 0.000 -5.215 -1.437) 5.409 12.173 ( 0.000 5.215 -1.437) 5.409 12.497 ( 0.000 -2.482 -2.073) 3.234 12.497 ( 0.000 2.482 -2.073) 3.234 12.771 ( 0.000 -7.437 0.123) 7.438 12.771 ( 0.000 7.437 0.123) 7.438 13.054 ( 0.000 -1.716 3.755) 4.128 13.054 ( 0.000 1.716 3.755) 4.128 13.124 ( 0.000 -7.620 9.461) 12.148 13.124 ( 0.000 7.620 9.461) 12.148 13.199 ( 0.000 -7.994 1.742) 8.182 13.199 ( 0.000 7.994 1.742) 8.182 13.446 ( 0.000 -7.252 7.414) 10.371 13.446 ( 0.000 7.252 7.414) 10.371 13.939 ( 0.000 -4.713 8.530) 9.746 13.939 ( 0.000 4.713 8.530) 9.746 13.993 ( 0.000 -4.672 3.638) 5.922 13.993 ( 0.000 4.672 3.638) 5.922 14.624 ( 0.000 -6.210 -1.423) 6.371 14.624 ( 0.000 6.210 -1.423) 6.371 15.195 ( 0.000 -12.410 0.922) 12.444 15.195 ( 0.000 12.410 0.922) 12.444 15.851 ( 0.000 -2.313 -3.836) 4.479 15.851 ( 0.000 2.313 -3.836) 4.479 16.078 ( 0.000 -1.348 1.043) 1.704 16.078 ( 0.000 1.348 1.043) 1.704 16.382 ( 0.000 -6.935 -8.272) 10.795 16.382 ( 0.000 6.935 -8.272) 10.795 16.683 ( 0.000 -4.353 -4.692) 6.400 16.683 ( 0.000 4.353 -4.692) 6.400 17.914 ( 0.000 -6.812 -10.317) 12.362 17.914 ( 0.000 6.812 -10.317) 12.362 18.214 ( 0.000 -3.476 2.456) 4.256 18.214 ( 0.000 3.476 2.456) 4.256 25.015 ( 0.000 -2.831 6.099) 6.724 25.015 ( 0.000 2.831 6.099) 6.724 25.083 ( 0.000 -3.348 5.331) 6.295 25.083 ( 0.000 3.348 5.331) 6.295 26.381 ( 0.000 -0.866 -1.638) 1.853 26.381 ( 0.000 0.866 -1.638) 1.853 26.678 ( 0.000 -15.263 -4.228) 15.838 26.678 ( 0.000 15.263 -4.228) 15.838 27.220 ( 0.000 -15.859 -19.621) 25.228 27.220 ( 0.000 15.859 -19.621) 25.228 27.573 ( 0.000 -5.303 -8.215) 9.778 27.573 ( 0.000 5.303 -8.215) 9.778 29.233 ( 0.000 -1.862 16.064) 16.172 29.233 ( 0.000 1.862 16.064) 16.172 29.672 ( 0.000 -16.440 20.756) 26.478 29.672 ( 0.000 16.440 20.756) 26.478 ======================= Grid point 87 (35/72) ======================= q-point: ( 0.20 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 11.516 -24.831 21.034) 34.520 2.954 ( 11.516 24.831 21.034) 34.520 3.337 ( 10.852 -26.682 22.199) 36.366 3.337 ( 10.852 26.682 22.199) 36.366 4.245 ( -23.211 -5.988 9.130) 25.651 4.245 ( -23.211 5.988 9.130) 25.651 4.449 ( -22.157 -10.409 9.327) 26.196 4.449 ( -22.157 10.409 9.327) 26.196 5.010 ( 10.071 -17.572 10.818) 22.962 5.010 ( 10.071 17.572 10.818) 22.962 5.271 ( 10.715 -12.025 7.254) 17.664 5.271 ( 10.715 12.025 7.254) 17.664 5.458 ( 18.701 -5.229 -1.611) 19.485 5.458 ( 18.701 5.229 -1.611) 19.485 5.605 ( 2.517 -9.475 6.255) 11.628 5.605 ( 2.517 9.475 6.255) 11.628 5.908 ( 6.305 -12.775 2.398) 14.446 5.908 ( 6.305 12.775 2.398) 14.446 6.346 ( -3.134 -18.372 1.573) 18.704 6.346 ( -3.134 18.372 1.573) 18.704 6.570 ( -8.421 -1.451 -6.744) 10.886 6.570 ( -8.421 1.451 -6.744) 10.886 6.682 ( 0.770 -10.919 -0.910) 10.984 6.682 ( 0.770 10.919 -0.910) 10.984 6.874 ( -7.461 -7.870 -1.006) 10.891 6.874 ( -7.461 7.870 -1.006) 10.891 7.086 ( 1.811 -3.033 -7.010) 7.850 7.086 ( 1.811 3.033 -7.010) 7.850 7.268 ( 2.617 -6.616 -7.219) 10.135 7.268 ( 2.617 6.616 -7.219) 10.135 7.635 ( 2.142 -5.271 4.742) 7.406 7.635 ( 2.142 5.271 4.742) 7.406 7.690 ( 0.508 -2.466 -2.622) 3.635 7.690 ( 0.508 2.466 -2.622) 3.635 7.981 ( -5.848 -3.054 1.542) 6.775 7.981 ( -5.848 3.054 1.542) 6.775 8.180 ( -7.668 -2.103 -6.035) 9.982 8.180 ( -7.668 2.103 -6.035) 9.982 8.587 ( -9.855 -1.008 1.757) 10.061 8.587 ( -9.855 1.008 1.757) 10.061 8.746 ( -7.740 -4.141 -14.148) 16.650 8.746 ( -7.740 4.141 -14.148) 16.650 8.844 ( -1.819 -3.136 -9.914) 10.556 8.844 ( -1.819 3.136 -9.914) 10.556 9.321 ( 5.699 -13.895 -11.482) 18.905 9.321 ( 5.699 13.895 -11.482) 18.905 9.493 ( 16.613 -5.789 -4.935) 18.272 9.493 ( 16.613 5.789 -4.935) 18.272 9.704 ( 0.400 -1.869 -1.455) 2.402 9.704 ( 0.400 1.869 -1.455) 2.402 9.890 ( -3.160 -11.641 -5.597) 13.298 9.890 ( -3.160 11.641 -5.597) 13.298 10.190 ( 3.504 -2.768 0.868) 4.549 10.190 ( 3.504 2.768 0.868) 4.549 10.567 ( 1.833 -5.213 -0.975) 5.611 10.567 ( 1.833 5.213 -0.975) 5.611 10.733 ( 0.071 -3.779 -3.710) 5.297 10.733 ( 0.071 3.779 -3.710) 5.297 10.801 ( 6.197 -5.362 0.757) 8.229 10.801 ( 6.197 5.362 0.757) 8.229 11.116 ( -6.273 -6.288 -0.859) 8.924 11.116 ( -6.273 6.288 -0.859) 8.924 11.167 ( -1.345 -4.533 -2.424) 5.313 11.167 ( -1.345 4.533 -2.424) 5.313 11.419 ( 3.861 -5.505 -6.588) 9.413 11.419 ( 3.861 5.505 -6.588) 9.413 11.697 ( -0.351 -8.732 -9.309) 12.768 11.697 ( -0.351 8.732 -9.309) 12.768 11.912 ( 4.768 -0.883 1.127) 4.978 11.912 ( 4.768 0.883 1.127) 4.978 12.176 ( -0.468 -4.278 -1.091) 4.440 12.176 ( -0.468 4.278 -1.091) 4.440 12.502 ( -0.432 -2.533 -3.263) 4.153 12.502 ( -0.432 2.533 -3.263) 4.153 12.739 ( -1.498 -2.015 -2.504) 3.547 12.739 ( -1.498 2.015 -2.504) 3.547 12.947 ( -8.120 -4.051 7.663) 11.877 12.947 ( -8.120 4.051 7.663) 11.877 13.157 ( -2.674 -9.905 -0.999) 10.308 13.157 ( -2.674 9.905 -0.999) 10.308 13.207 ( 5.926 -3.987 6.354) 9.559 13.207 ( 5.926 3.987 6.354) 9.559 13.484 ( 1.899 -4.761 7.249) 8.878 13.484 ( 1.899 4.761 7.249) 8.878 13.942 ( 0.419 -3.846 9.065) 9.856 13.942 ( 0.419 3.846 9.065) 9.856 13.992 ( -0.218 -2.658 4.831) 5.518 13.992 ( -0.218 2.658 4.831) 5.518 14.651 ( 2.992 -6.623 -1.023) 7.339 14.651 ( 2.992 6.623 -1.023) 7.339 15.111 ( -7.932 -11.275 0.906) 13.815 15.111 ( -7.932 11.275 0.906) 13.815 15.863 ( 1.366 -2.268 -2.683) 3.769 15.863 ( 1.366 2.268 -2.683) 3.769 16.042 ( -3.132 -2.720 0.731) 4.212 16.042 ( -3.132 2.720 0.731) 4.212 16.448 ( 5.682 -6.111 -7.782) 11.410 16.448 ( 5.682 6.111 -7.782) 11.410 16.676 ( -0.882 -4.911 -5.044) 7.095 16.676 ( -0.882 4.911 -5.044) 7.095 17.932 ( 1.893 -6.102 -9.124) 11.138 17.932 ( 1.893 6.102 -9.124) 11.138 18.173 ( -3.922 -2.383 1.312) 4.773 18.173 ( -3.922 2.383 1.312) 4.773 25.025 ( 0.985 -2.946 5.964) 6.724 25.025 ( 0.985 2.946 5.964) 6.724 25.079 ( -0.414 -3.349 5.376) 6.348 25.079 ( -0.414 3.349 5.376) 6.348 26.456 ( 6.963 -1.260 -1.618) 7.258 26.456 ( 6.963 1.260 -1.618) 7.258 26.684 ( 0.481 -15.262 -3.973) 15.778 26.684 ( 0.481 15.262 -3.973) 15.778 27.220 ( 0.315 -13.021 -19.226) 23.223 27.220 ( 0.315 13.021 -19.226) 23.223 27.513 ( -5.828 -5.535 -9.582) 12.507 27.513 ( -5.828 5.535 -9.582) 12.507 29.267 ( 3.424 -1.207 16.824) 17.211 29.267 ( 3.424 1.207 16.824) 17.211 29.618 ( -5.224 -14.082 20.741) 25.608 29.618 ( -5.224 14.082 20.741) 25.608 ======================= Grid point 89 (36/72) ======================= q-point: ( 0.40 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( 20.217 -16.793 16.469) 31.015 3.269 ( 20.217 16.793 16.469) 31.015 3.594 ( 8.143 -16.398 17.078) 25.038 3.594 ( 8.143 16.398 17.078) 25.038 3.779 ( -15.923 -4.429 15.315) 22.532 3.779 ( -15.923 4.429 15.315) 22.532 4.031 ( -20.695 -18.485 14.924) 31.507 4.031 ( -20.695 18.485 14.924) 31.507 5.214 ( 8.943 -6.236 -1.476) 11.002 5.214 ( 8.943 6.236 -1.476) 11.002 5.336 ( -3.160 -0.967 -3.237) 4.626 5.336 ( -3.160 0.967 -3.237) 4.626 5.756 ( 15.811 -20.363 17.071) 30.920 5.756 ( 15.811 20.363 17.071) 30.920 5.856 ( 17.088 -4.075 0.051) 17.567 5.856 ( 17.088 4.075 0.051) 17.567 5.983 ( -1.653 -11.088 1.779) 11.351 5.983 ( -1.653 11.088 1.779) 11.351 6.182 ( -13.833 -7.760 7.202) 17.420 6.182 ( -13.833 7.760 7.202) 17.420 6.473 ( 0.540 -8.144 -3.500) 8.881 6.473 ( 0.540 8.144 -3.500) 8.881 6.611 ( -11.719 -15.610 0.848) 19.538 6.611 ( -11.719 15.610 0.848) 19.538 6.813 ( 6.359 -4.356 -3.488) 8.461 6.813 ( 6.359 4.356 -3.488) 8.461 6.973 ( -8.759 -6.234 -5.269) 11.973 6.973 ( -8.759 6.234 -5.269) 11.973 7.403 ( 8.028 -5.185 -2.739) 9.941 7.403 ( 8.028 5.185 -2.739) 9.941 7.560 ( -7.887 -7.019 -0.001) 10.558 7.560 ( -7.887 7.019 -0.001) 10.558 7.814 ( 8.037 -3.201 -0.454) 8.663 7.814 ( 8.037 3.201 -0.454) 8.663 7.886 ( -1.452 -0.341 -3.927) 4.201 7.886 ( -1.452 0.341 -3.927) 4.201 8.113 ( 1.714 -3.030 -2.724) 4.420 8.113 ( 1.714 3.030 -2.724) 4.420 8.312 ( -15.499 -3.670 -0.825) 15.949 8.312 ( -15.499 3.670 -0.825) 15.949 8.715 ( 2.056 -1.626 -14.238) 14.478 8.715 ( 2.056 1.626 -14.238) 14.478 8.779 ( -3.931 -1.422 -12.247) 12.941 8.779 ( -3.931 1.422 -12.247) 12.941 9.453 ( 7.740 -17.534 -9.736) 21.498 9.453 ( 7.740 17.534 -9.736) 21.498 9.612 ( -7.983 -15.952 -7.581) 19.382 9.612 ( -7.983 15.952 -7.581) 19.382 9.753 ( 9.603 -1.876 -5.248) 11.104 9.753 ( 9.603 1.876 -5.248) 11.104 9.868 ( -1.954 -5.166 -4.677) 7.238 9.868 ( -1.954 5.166 -4.677) 7.238 10.316 ( 9.380 -4.159 4.836) 11.343 10.316 ( 9.380 4.159 4.836) 11.343 10.512 ( -8.756 -4.053 4.868) 10.807 10.512 ( -8.756 4.053 4.868) 10.807 10.767 ( 5.119 -4.711 -6.318) 9.397 10.767 ( 5.119 4.711 -6.318) 9.397 10.862 ( -2.744 -6.846 -3.114) 8.006 10.862 ( -2.744 6.846 -3.114) 8.006 11.077 ( 4.016 -3.381 -1.230) 5.392 11.077 ( 4.016 3.381 -1.230) 5.392 11.150 ( -2.143 -3.539 -0.305) 4.149 11.150 ( -2.143 3.539 -0.305) 4.149 11.518 ( 6.844 -3.042 -2.927) 8.041 11.518 ( 6.844 3.042 -2.927) 8.041 11.651 ( -5.089 -5.086 -4.554) 8.515 11.651 ( -5.089 5.086 -4.554) 8.515 12.009 ( 5.031 -4.145 -2.306) 6.915 12.009 ( 5.031 4.145 -2.306) 6.915 12.117 ( -5.560 -5.242 -1.456) 7.779 12.117 ( -5.560 5.242 -1.456) 7.779 12.515 ( 4.099 -3.764 -3.549) 6.601 12.515 ( 4.099 3.764 -3.549) 6.601 12.653 ( -8.224 -5.819 -1.161) 10.141 12.653 ( -8.224 5.819 -1.161) 10.141 12.919 ( 5.589 -5.840 0.687) 8.113 12.919 ( 5.589 5.840 0.687) 8.113 13.052 ( -6.824 -9.464 -2.154) 11.864 13.052 ( -6.824 9.464 -2.154) 11.864 13.354 ( 7.501 -4.696 5.724) 10.539 13.354 ( 7.501 4.696 5.724) 10.539 13.469 ( -3.723 -4.363 5.412) 7.886 13.469 ( -3.723 4.363 5.412) 7.886 13.958 ( 1.201 -2.465 9.318) 9.713 13.958 ( 1.201 2.465 9.318) 9.713 13.981 ( -0.926 -0.767 7.251) 7.350 13.981 ( -0.926 0.767 7.251) 7.350 14.750 ( 7.328 -7.727 0.182) 10.650 14.750 ( 7.328 7.727 0.182) 10.650 14.925 ( -10.095 -9.289 0.973) 13.752 14.925 ( -10.095 9.289 0.973) 13.752 15.906 ( 2.985 -3.231 -0.851) 4.480 15.906 ( 2.985 3.231 -0.851) 4.480 15.973 ( -3.717 -3.733 0.248) 5.274 15.973 ( -3.717 3.733 0.248) 5.274 16.561 ( 5.283 -5.672 -7.012) 10.452 16.561 ( 5.283 5.672 -7.012) 10.452 16.641 ( -2.849 -5.529 -5.980) 8.629 16.641 ( -2.849 5.529 -5.980) 8.629 17.989 ( 3.947 -4.217 -5.890) 8.250 17.989 ( 3.947 4.217 -5.890) 8.250 18.080 ( -5.135 -1.959 -1.848) 5.798 18.080 ( -5.135 1.959 -1.848) 5.798 25.047 ( 1.140 -3.159 5.714) 6.628 25.047 ( 1.140 3.159 5.714) 6.628 25.067 ( -0.827 -3.309 5.507) 6.478 25.067 ( -0.827 3.309 5.507) 6.478 26.602 ( 6.624 -7.019 -1.750) 9.809 26.602 ( 6.624 7.019 -1.750) 9.809 26.680 ( -1.539 -13.509 -2.968) 13.917 26.680 ( -1.539 13.509 -2.968) 13.917 27.254 ( 3.800 -4.469 -17.416) 18.377 27.254 ( 3.800 4.469 -17.416) 18.377 27.372 ( -7.723 -3.680 -13.300) 15.814 27.372 ( -7.723 3.680 -13.300) 15.814 29.360 ( 6.049 -3.754 18.554) 19.873 29.360 ( 6.049 3.754 18.554) 19.873 29.492 ( -7.120 -8.868 20.121) 23.112 29.492 ( -7.120 8.868 20.121) 23.112 ======================= Grid point 105 (37/72) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 0.000 0.000 42.543) 42.543 2.717 ( 0.000 0.000 42.084) 42.084 4.079 ( 0.000 0.000 22.186) 22.186 4.414 ( 0.000 0.000 -0.547) 0.547 4.535 ( 0.000 0.000 -8.091) 8.091 4.565 ( 0.000 0.000 52.166) 52.166 4.728 ( 0.000 0.000 2.315) 2.315 4.802 ( 0.000 0.000 -5.374) 5.374 4.876 ( 0.000 0.000 -1.956) 1.956 5.018 ( 0.000 0.000 14.889) 14.889 5.029 ( 0.000 0.000 -1.027) 1.027 5.075 ( 0.000 0.000 -1.681) 1.681 5.162 ( 0.000 0.000 22.605) 22.605 5.500 ( 0.000 0.000 18.994) 18.994 5.529 ( 0.000 0.000 -8.051) 8.051 5.585 ( 0.000 0.000 21.197) 21.197 5.716 ( 0.000 0.000 -10.911) 10.911 6.195 ( 0.000 0.000 7.662) 7.662 6.215 ( 0.000 0.000 -5.538) 5.538 6.328 ( 0.000 0.000 -1.725) 1.725 6.346 ( 0.000 0.000 2.127) 2.127 6.375 ( 0.000 0.000 -4.470) 4.470 6.488 ( 0.000 0.000 0.488) 0.488 6.657 ( 0.000 0.000 -0.601) 0.601 6.965 ( 0.000 0.000 -7.175) 7.175 6.989 ( 0.000 0.000 -0.499) 0.499 7.083 ( 0.000 0.000 -14.436) 14.436 7.085 ( 0.000 0.000 -9.137) 9.137 7.171 ( 0.000 0.000 -1.756) 1.756 7.319 ( 0.000 0.000 -15.480) 15.480 7.369 ( 0.000 0.000 -7.823) 7.823 7.597 ( 0.000 0.000 -18.634) 18.634 7.762 ( 0.000 0.000 -4.374) 4.374 7.817 ( 0.000 0.000 -10.834) 10.834 8.000 ( 0.000 0.000 -5.439) 5.439 8.029 ( 0.000 0.000 -0.942) 0.942 8.252 ( 0.000 0.000 6.547) 6.547 8.264 ( 0.000 0.000 -12.816) 12.816 8.356 ( 0.000 0.000 3.415) 3.415 8.405 ( 0.000 0.000 -3.490) 3.490 8.407 ( 0.000 0.000 -1.298) 1.298 8.556 ( 0.000 0.000 -1.057) 1.057 8.668 ( 0.000 0.000 -5.038) 5.038 8.967 ( 0.000 0.000 -7.856) 7.856 9.029 ( 0.000 0.000 -4.287) 4.287 9.107 ( 0.000 0.000 -15.486) 15.486 9.373 ( 0.000 0.000 -11.485) 11.485 9.401 ( 0.000 0.000 -10.632) 10.632 9.895 ( 0.000 0.000 13.588) 13.588 9.921 ( 0.000 0.000 -0.758) 0.758 9.934 ( 0.000 0.000 -6.660) 6.660 10.204 ( 0.000 0.000 -5.921) 5.921 10.231 ( 0.000 0.000 8.290) 8.290 10.299 ( 0.000 0.000 1.248) 1.248 10.316 ( 0.000 0.000 2.545) 2.545 10.363 ( 0.000 0.000 -1.106) 1.106 10.433 ( 0.000 0.000 -8.989) 8.989 10.735 ( 0.000 0.000 3.307) 3.307 10.857 ( 0.000 0.000 -1.308) 1.308 10.871 ( 0.000 0.000 -1.747) 1.747 11.081 ( 0.000 0.000 -6.616) 6.616 11.085 ( 0.000 0.000 2.096) 2.096 11.146 ( 0.000 0.000 -2.552) 2.552 11.165 ( 0.000 0.000 -8.436) 8.436 11.228 ( 0.000 0.000 4.267) 4.267 11.516 ( 0.000 0.000 -2.471) 2.471 11.631 ( 0.000 0.000 -10.894) 10.894 11.678 ( 0.000 0.000 -3.127) 3.127 11.710 ( 0.000 0.000 1.721) 1.721 11.955 ( 0.000 0.000 -5.760) 5.760 11.981 ( 0.000 0.000 0.935) 0.935 12.005 ( 0.000 0.000 -2.619) 2.619 12.296 ( 0.000 0.000 -5.423) 5.423 12.435 ( 0.000 0.000 0.245) 0.245 12.436 ( 0.000 0.000 0.725) 0.725 12.886 ( 0.000 0.000 0.627) 0.627 12.939 ( 0.000 0.000 4.095) 4.095 13.069 ( 0.000 0.000 0.747) 0.747 13.112 ( 0.000 0.000 -19.472) 19.472 13.299 ( 0.000 0.000 -12.696) 12.696 13.335 ( 0.000 0.000 9.578) 9.578 13.520 ( 0.000 0.000 11.471) 11.471 13.617 ( 0.000 0.000 4.563) 4.563 14.043 ( 0.000 0.000 10.118) 10.118 14.127 ( 0.000 0.000 3.893) 3.893 14.174 ( 0.000 0.000 11.785) 11.785 14.176 ( 0.000 0.000 12.990) 12.990 14.339 ( 0.000 0.000 2.079) 2.079 14.444 ( 0.000 0.000 11.352) 11.352 14.573 ( 0.000 0.000 10.523) 10.523 14.751 ( 0.000 0.000 11.547) 11.547 15.057 ( 0.000 0.000 -11.181) 11.181 15.719 ( 0.000 0.000 -1.337) 1.337 15.745 ( 0.000 0.000 -4.451) 4.451 15.810 ( 0.000 0.000 -9.397) 9.397 15.834 ( 0.000 0.000 -7.290) 7.290 15.922 ( 0.000 0.000 -2.272) 2.272 16.155 ( 0.000 0.000 -3.040) 3.040 16.424 ( 0.000 0.000 -3.587) 3.587 16.513 ( 0.000 0.000 -9.202) 9.202 17.893 ( 0.000 0.000 -2.172) 2.172 17.975 ( 0.000 0.000 -12.492) 12.492 18.263 ( 0.000 0.000 -1.864) 1.864 19.066 ( 0.000 0.000 -8.795) 8.795 25.028 ( 0.000 0.000 6.388) 6.388 25.072 ( 0.000 0.000 5.823) 5.823 25.193 ( 0.000 0.000 3.834) 3.834 25.274 ( 0.000 0.000 3.024) 3.024 26.093 ( 0.000 0.000 7.627) 7.627 26.136 ( 0.000 0.000 5.560) 5.560 26.354 ( 0.000 0.000 -0.804) 0.804 26.374 ( 0.000 0.000 -2.038) 2.038 26.999 ( 0.000 0.000 -9.918) 9.918 27.302 ( 0.000 0.000 -5.544) 5.544 27.311 ( 0.000 0.000 -15.121) 15.121 27.582 ( 0.000 0.000 -12.384) 12.384 29.497 ( 0.000 0.000 14.189) 14.189 29.527 ( 0.000 0.000 17.075) 17.075 29.684 ( 0.000 0.000 17.446) 17.446 30.723 ( 0.000 0.000 -4.539) 4.539 ======================= Grid point 106 (38/72) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 21.174 0.000 37.394) 42.973 2.832 ( 11.435 0.000 40.132) 41.730 3.895 ( -16.321 0.000 24.509) 29.446 4.179 ( -19.429 0.000 10.720) 22.190 4.489 ( -4.276 0.000 -9.070) 10.028 4.652 ( -7.279 0.000 0.039) 7.279 4.682 ( 10.091 0.000 42.862) 44.034 4.869 ( 4.717 0.000 0.582) 4.753 4.915 ( 2.688 0.000 -4.519) 5.258 4.999 ( -1.743 0.000 13.999) 14.107 5.007 ( -1.366 0.000 -2.251) 2.633 5.033 ( -0.191 0.000 -1.671) 1.681 5.357 ( 15.375 0.000 14.409) 21.071 5.494 ( -2.603 0.000 25.181) 25.315 5.555 ( 3.351 0.000 21.031) 21.297 5.560 ( 0.815 0.000 -8.300) 8.340 5.712 ( -2.246 0.000 -4.113) 4.686 6.156 ( -5.330 0.000 1.290) 5.484 6.226 ( 4.403 0.000 0.865) 4.487 6.276 ( -6.314 0.000 2.029) 6.632 6.434 ( 5.630 0.000 -3.388) 6.571 6.483 ( 6.170 0.000 -8.665) 10.637 6.574 ( 10.915 0.000 -3.237) 11.385 6.604 ( -6.816 0.000 1.567) 6.993 6.830 ( -6.211 0.000 -2.760) 6.797 6.903 ( -11.599 0.000 -15.422) 19.297 7.092 ( 7.161 0.000 3.889) 8.149 7.154 ( -1.573 0.000 -7.881) 8.036 7.156 ( 2.749 0.000 -12.253) 12.557 7.320 ( -0.804 0.000 -7.384) 7.428 7.531 ( 16.072 0.000 -15.369) 22.237 7.570 ( -20.444 0.000 2.496) 20.596 7.719 ( 4.153 0.000 -7.644) 8.699 7.809 ( -0.929 0.000 -8.064) 8.118 7.848 ( 1.969 0.000 -12.960) 13.108 8.030 ( -3.490 0.000 -5.023) 6.116 8.084 ( -8.798 0.000 -2.552) 9.160 8.220 ( -2.025 0.000 -4.154) 4.622 8.366 ( 2.458 0.000 0.981) 2.646 8.421 ( 1.066 0.000 -4.682) 4.802 8.545 ( -0.226 0.000 -3.952) 3.959 8.595 ( 4.106 0.000 -6.346) 7.558 8.596 ( -5.304 0.000 -4.570) 7.001 8.985 ( 0.071 0.000 -9.274) 9.274 9.042 ( -15.194 0.000 -13.811) 20.533 9.068 ( -3.515 0.000 -14.267) 14.694 9.188 ( 3.550 0.000 -1.313) 3.785 9.700 ( 22.645 0.000 -3.106) 22.857 9.856 ( -4.857 0.000 3.174) 5.802 9.919 ( 2.405 0.000 11.970) 12.209 10.062 ( 12.229 0.000 -6.639) 13.914 10.175 ( -4.795 0.000 8.178) 9.481 10.252 ( 0.107 0.000 0.438) 0.451 10.306 ( -1.808 0.000 0.322) 1.836 10.344 ( 7.728 0.000 -6.009) 9.790 10.371 ( -4.337 0.000 -6.373) 7.709 10.503 ( 10.669 0.000 -3.849) 11.342 10.733 ( 0.071 0.000 3.321) 3.322 10.743 ( -8.689 0.000 1.546) 8.825 10.831 ( -2.383 0.000 -1.275) 2.703 11.056 ( -3.371 0.000 -6.359) 7.198 11.086 ( 0.549 0.000 -6.520) 6.544 11.146 ( -1.378 0.000 -7.160) 7.291 11.242 ( 4.243 0.000 2.150) 4.757 11.304 ( 6.842 0.000 3.555) 7.710 11.440 ( -5.366 0.000 0.203) 5.369 11.651 ( -4.983 0.000 -0.598) 5.019 11.672 ( -1.657 0.000 -1.636) 2.329 11.706 ( 6.786 0.000 -10.289) 12.325 11.994 ( 1.108 0.000 0.569) 1.246 12.027 ( 1.691 0.000 -0.483) 1.759 12.071 ( 9.717 0.000 -5.958) 11.399 12.318 ( 1.724 0.000 -10.138) 10.283 12.481 ( 2.077 0.000 -1.316) 2.459 12.512 ( 8.046 0.000 -2.758) 8.506 12.626 ( -16.719 0.000 -2.598) 16.920 12.910 ( 2.337 0.000 -0.257) 2.351 13.039 ( -3.096 0.000 0.579) 3.149 13.085 ( -15.292 0.000 7.750) 17.143 13.236 ( -6.152 0.000 -12.463) 13.899 13.309 ( 7.062 0.000 -9.698) 11.997 13.666 ( 7.125 0.000 7.046) 10.021 13.677 ( 2.808 0.000 7.990) 8.469 14.062 ( 1.778 0.000 10.254) 10.407 14.073 ( -4.263 0.000 11.435) 12.204 14.166 ( -0.865 0.000 11.669) 11.701 14.185 ( 0.457 0.000 12.656) 12.664 14.278 ( -2.555 0.000 2.539) 3.602 14.457 ( 1.414 0.000 1.115) 1.801 14.588 ( 1.573 0.000 10.604) 10.721 14.733 ( -1.818 0.000 11.414) 11.558 15.004 ( -5.748 0.000 -6.292) 8.522 15.724 ( 0.559 0.000 -1.179) 1.305 15.765 ( 2.210 0.000 -4.332) 4.863 15.812 ( 0.439 0.000 -8.920) 8.931 15.871 ( -4.075 0.000 -1.741) 4.431 15.931 ( 8.231 0.000 -8.174) 11.600 16.214 ( 4.791 0.000 -3.424) 5.889 16.414 ( -1.086 0.000 -3.685) 3.841 16.461 ( -5.261 0.000 -9.480) 10.842 17.943 ( 4.264 0.000 -5.045) 6.605 18.027 ( 6.125 0.000 -7.698) 9.837 18.229 ( -3.334 0.000 -2.585) 4.218 18.906 ( -14.924 0.000 -5.270) 15.827 25.033 ( 0.426 0.000 6.306) 6.320 25.066 ( -0.513 0.000 5.890) 5.913 25.207 ( 1.258 0.000 3.594) 3.808 25.270 ( -0.412 0.000 3.048) 3.076 26.096 ( 0.295 0.000 7.454) 7.460 26.130 ( -0.547 0.000 5.795) 5.821 26.442 ( 8.721 0.000 -1.180) 8.800 26.530 ( 14.697 0.000 -5.688) 15.760 27.029 ( 2.981 0.000 -10.410) 10.828 27.209 ( -9.096 0.000 -5.006) 10.382 27.281 ( -2.969 0.000 -14.609) 14.907 27.491 ( -9.065 0.000 -12.842) 15.720 29.513 ( 1.718 0.000 14.553) 14.654 29.596 ( 4.335 0.000 16.866) 17.414 29.700 ( 3.963 0.000 16.370) 16.843 30.579 ( -13.630 0.000 -0.218) 13.631 ======================= Grid point 107 (39/72) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 18.724 0.000 35.432) 40.075 3.226 ( 27.508 0.000 28.623) 39.699 3.524 ( -20.553 0.000 29.745) 36.155 3.742 ( -24.921 0.000 20.633) 32.354 4.427 ( -0.578 0.000 -6.766) 6.791 4.492 ( -7.046 0.000 -2.801) 7.582 4.871 ( 6.959 0.000 20.044) 21.218 4.956 ( -2.830 0.000 12.750) 13.060 4.958 ( 4.000 0.000 -0.492) 4.030 4.966 ( 2.367 0.000 -3.810) 4.485 5.008 ( -0.082 0.000 -4.467) 4.468 5.036 ( -0.447 0.000 -0.083) 0.454 5.491 ( 8.906 0.000 35.357) 36.461 5.565 ( 0.754 0.000 -4.803) 4.862 5.621 ( -5.090 0.000 -0.412) 5.106 5.631 ( 0.712 0.000 26.143) 26.153 5.771 ( 21.507 0.000 16.992) 27.409 6.035 ( -5.606 0.000 2.890) 6.307 6.062 ( -11.058 0.000 15.578) 19.104 6.288 ( -22.179 0.000 5.034) 22.743 6.346 ( 6.953 0.000 -7.889) 10.515 6.479 ( -5.823 0.000 -12.111) 13.438 6.576 ( 6.267 0.000 -11.125) 12.769 6.707 ( -7.613 0.000 -15.303) 17.092 6.815 ( 11.713 0.000 -10.285) 15.587 6.937 ( 14.376 0.000 0.190) 14.377 7.044 ( -7.991 0.000 -8.975) 12.017 7.159 ( 0.145 0.000 -8.459) 8.460 7.201 ( -0.863 0.000 -8.325) 8.370 7.224 ( -10.173 0.000 -4.359) 11.068 7.457 ( 9.405 0.000 -0.012) 9.405 7.660 ( -8.309 0.000 -2.291) 8.619 7.794 ( 0.920 0.000 -4.647) 4.738 7.814 ( 3.425 0.000 -12.046) 12.524 7.949 ( 4.724 0.000 -15.460) 16.165 7.989 ( 0.194 0.000 -9.365) 9.367 8.028 ( 10.408 0.000 -0.002) 10.408 8.252 ( 6.495 0.000 -8.030) 10.328 8.305 ( -10.748 0.000 -2.138) 10.959 8.448 ( 2.755 0.000 -3.577) 4.515 8.511 ( -13.487 0.000 -12.540) 18.416 8.512 ( -3.486 0.000 -3.385) 4.859 8.591 ( 1.780 0.000 -3.570) 3.989 8.681 ( -9.311 0.000 -3.883) 10.088 8.965 ( -0.567 0.000 -11.193) 11.207 8.995 ( -3.312 0.000 -12.400) 12.835 9.410 ( 13.222 0.000 -0.480) 13.231 9.651 ( -11.137 0.000 0.985) 11.181 9.983 ( 4.053 0.000 9.722) 10.533 10.073 ( -5.132 0.000 8.532) 9.956 10.160 ( 12.666 0.000 -3.164) 13.055 10.249 ( 2.409 0.000 -6.512) 6.944 10.273 ( -0.130 0.000 -3.073) 3.076 10.305 ( -2.799 0.000 -3.294) 4.322 10.313 ( 8.516 0.000 5.052) 9.901 10.492 ( -2.017 0.000 -0.679) 2.128 10.594 ( 12.273 0.000 -5.518) 13.457 10.745 ( 1.221 0.000 2.249) 2.559 10.781 ( -2.409 0.000 0.172) 2.415 10.790 ( 12.596 0.000 -1.925) 12.743 10.915 ( -11.300 0.000 -3.729) 11.899 11.101 ( 0.945 0.000 -6.186) 6.258 11.108 ( -17.407 0.000 -1.544) 17.476 11.122 ( -1.135 0.000 -6.109) 6.213 11.438 ( 4.822 0.000 0.766) 4.882 11.456 ( 8.072 0.000 2.648) 8.495 11.542 ( -5.509 0.000 -0.227) 5.513 11.597 ( -5.928 0.000 0.974) 6.008 11.899 ( 12.157 0.000 -12.388) 17.357 12.021 ( 1.482 0.000 0.969) 1.771 12.042 ( -0.343 0.000 1.185) 1.233 12.161 ( -13.443 0.000 -16.421) 21.221 12.294 ( 9.195 0.000 -3.650) 9.893 12.426 ( -0.950 0.000 -4.607) 4.704 12.614 ( 5.446 0.000 0.748) 5.497 12.724 ( 12.410 0.000 -5.546) 13.593 12.794 ( -13.029 0.000 5.264) 14.052 12.933 ( -7.411 0.000 -2.102) 7.703 12.979 ( 3.758 0.000 -2.826) 4.702 13.091 ( -7.476 0.000 -9.389) 12.001 13.420 ( 5.793 0.000 -6.417) 8.645 13.567 ( -8.943 0.000 0.058) 8.943 13.843 ( 8.372 0.000 12.499) 15.044 13.981 ( -5.763 0.000 14.851) 15.930 14.102 ( 2.190 0.000 10.718) 10.939 14.141 ( -1.675 0.000 11.290) 11.413 14.192 ( 1.341 0.000 4.012) 4.230 14.242 ( -2.890 0.000 2.204) 3.634 14.588 ( 11.971 0.000 0.808) 11.998 14.631 ( 2.662 0.000 10.820) 11.143 14.686 ( -2.813 0.000 11.118) 11.468 14.832 ( -11.532 0.000 0.128) 11.533 15.745 ( 1.745 0.000 -0.961) 1.993 15.795 ( -3.359 0.000 -1.116) 3.540 15.807 ( 1.514 0.000 -4.929) 5.156 15.820 ( 0.095 0.000 -7.052) 7.053 16.120 ( 10.566 0.000 -9.673) 14.325 16.308 ( 4.447 0.000 -3.787) 5.841 16.317 ( -9.199 0.000 -9.970) 13.566 16.378 ( -2.718 0.000 -3.834) 4.699 18.034 ( 5.114 0.000 -7.095) 8.746 18.136 ( -4.674 0.000 -4.762) 6.673 18.236 ( 13.756 0.000 -1.251) 13.813 18.563 ( -18.570 0.000 -0.976) 18.596 25.043 ( 0.580 0.000 6.146) 6.173 25.055 ( -0.623 0.000 6.001) 6.033 25.234 ( 1.383 0.000 3.322) 3.598 25.257 ( -0.949 0.000 3.142) 3.283 26.104 ( 0.582 0.000 6.986) 7.010 26.117 ( -0.733 0.000 6.360) 6.403 26.670 ( 13.895 0.000 -2.187) 14.066 26.854 ( 11.826 0.000 -8.730) 14.700 26.996 ( -6.956 0.000 -6.074) 9.235 27.107 ( 4.783 0.000 -11.693) 12.634 27.203 ( -4.780 0.000 -13.291) 14.124 27.245 ( -15.746 0.000 -13.256) 20.583 29.557 ( 2.530 0.000 15.471) 15.676 29.602 ( -1.875 0.000 16.571) 16.677 29.913 ( 15.641 0.000 12.923) 20.289 30.253 ( -18.384 0.000 7.453) 19.837 ======================= Grid point 110 (40/72) ======================= q-point: ( 0.00 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 0.000 10.474 40.127) 41.472 2.884 ( 0.000 15.960 39.244) 42.365 4.250 ( 0.000 15.606 21.270) 26.381 4.400 ( 0.000 -3.643 -1.061) 3.795 4.447 ( 0.000 -7.673 -0.946) 7.731 4.489 ( 0.000 -25.997 11.843) 28.567 4.659 ( 0.000 9.120 39.670) 40.705 4.790 ( 0.000 5.548 3.444) 6.530 4.858 ( 0.000 -0.438 0.340) 0.555 4.954 ( 0.000 0.739 -2.685) 2.784 5.099 ( 0.000 -1.988 5.699) 6.035 5.148 ( 0.000 7.957 -1.159) 8.041 5.189 ( 0.000 2.357 17.670) 17.827 5.468 ( 0.000 -1.985 11.360) 11.533 5.477 ( 0.000 -0.867 9.938) 9.976 5.734 ( 0.000 12.681 5.920) 13.995 5.786 ( 0.000 3.956 -5.400) 6.694 6.129 ( 0.000 -4.781 -3.693) 6.041 6.276 ( 0.000 -6.506 3.780) 7.524 6.367 ( 0.000 0.059 -5.317) 5.318 6.392 ( 0.000 7.466 1.769) 7.673 6.423 ( 0.000 15.206 6.630) 16.589 6.572 ( 0.000 6.875 -6.813) 9.679 6.650 ( 0.000 -0.938 -5.442) 5.522 6.905 ( 0.000 -7.257 -6.172) 9.526 6.926 ( 0.000 -3.297 -5.545) 6.451 7.003 ( 0.000 -9.280 -3.113) 9.788 7.083 ( 0.000 -12.626 -11.048) 16.777 7.097 ( 0.000 1.293 -3.873) 4.083 7.297 ( 0.000 4.273 -12.639) 13.341 7.367 ( 0.000 0.281 -8.002) 8.007 7.697 ( 0.000 8.780 -14.744) 17.160 7.744 ( 0.000 -1.599 -4.547) 4.820 7.868 ( 0.000 -10.522 -4.579) 11.475 7.900 ( 0.000 2.888 -9.918) 10.330 8.110 ( 0.000 3.854 3.126) 4.962 8.187 ( 0.000 -1.127 -1.565) 1.929 8.275 ( 0.000 -3.143 -7.706) 8.323 8.393 ( 0.000 1.140 -11.473) 11.530 8.404 ( 0.000 0.278 -3.222) 3.234 8.430 ( 0.000 6.761 2.665) 7.267 8.592 ( 0.000 3.764 -2.332) 4.428 8.706 ( 0.000 4.661 -1.527) 4.905 8.897 ( 0.000 -4.993 -5.137) 7.164 9.005 ( 0.000 -3.126 -5.333) 6.181 9.075 ( 0.000 -1.604 -12.951) 13.050 9.414 ( 0.000 0.644 -5.339) 5.378 9.479 ( 0.000 7.818 -11.004) 13.499 9.711 ( 0.000 -11.129 3.757) 11.746 9.779 ( 0.000 -11.857 2.282) 12.075 9.958 ( 0.000 -2.014 1.878) 2.754 10.101 ( 0.000 -5.425 -5.598) 7.796 10.217 ( 0.000 -4.023 3.022) 5.032 10.257 ( 0.000 0.501 2.404) 2.456 10.408 ( 0.000 5.980 2.327) 6.417 10.430 ( 0.000 5.063 -0.443) 5.082 10.628 ( 0.000 6.516 -7.417) 9.873 10.761 ( 0.000 4.665 2.172) 5.146 10.786 ( 0.000 -6.447 0.224) 6.451 10.846 ( 0.000 -3.210 -0.509) 3.250 10.983 ( 0.000 -6.033 -5.481) 8.150 11.071 ( 0.000 -0.895 -2.775) 2.916 11.120 ( 0.000 2.495 -4.259) 4.936 11.141 ( 0.000 -2.942 -7.675) 8.220 11.296 ( 0.000 3.185 -3.124) 4.461 11.477 ( 0.000 -8.426 -4.292) 9.456 11.481 ( 0.000 -3.156 -2.360) 3.940 11.742 ( 0.000 2.697 0.910) 2.847 11.816 ( 0.000 5.062 -7.325) 8.904 11.944 ( 0.000 -7.655 -1.950) 7.900 12.004 ( 0.000 3.568 1.275) 3.789 12.082 ( 0.000 10.902 -4.750) 11.892 12.250 ( 0.000 -2.181 -3.439) 4.072 12.424 ( 0.000 -0.630 0.153) 0.648 12.493 ( 0.000 5.323 0.275) 5.330 12.894 ( 0.000 -4.243 -6.225) 7.533 12.926 ( 0.000 0.287 2.522) 2.538 12.972 ( 0.000 -3.664 -15.146) 15.583 13.124 ( 0.000 3.898 2.354) 4.554 13.252 ( 0.000 -5.957 5.111) 7.849 13.356 ( 0.000 0.602 -9.032) 9.052 13.510 ( 0.000 -1.295 10.352) 10.433 13.545 ( 0.000 -5.718 4.190) 7.089 14.016 ( 0.000 -5.644 7.568) 9.441 14.067 ( 0.000 -8.508 6.436) 10.668 14.148 ( 0.000 3.549 13.852) 14.300 14.241 ( 0.000 -13.093 3.753) 13.621 14.282 ( 0.000 11.996 10.072) 15.664 14.470 ( 0.000 -10.091 10.136) 14.303 14.622 ( 0.000 20.182 6.757) 21.283 14.751 ( 0.000 4.059 12.191) 12.848 15.293 ( 0.000 11.414 -2.834) 11.760 15.695 ( 0.000 -0.717 -8.768) 8.797 15.730 ( 0.000 3.525 -2.603) 4.382 15.820 ( 0.000 -1.377 -6.904) 7.040 15.851 ( 0.000 7.609 -4.472) 8.826 16.140 ( 0.000 -1.360 -2.194) 2.581 16.151 ( 0.000 15.090 -5.678) 16.123 16.413 ( 0.000 -1.302 -4.090) 4.292 16.535 ( 0.000 2.042 -9.255) 9.478 17.849 ( 0.000 -4.242 -2.410) 4.879 17.931 ( 0.000 -4.416 -12.105) 12.885 18.236 ( 0.000 -2.484 -1.674) 2.995 18.881 ( 0.000 -17.384 -4.378) 17.927 25.042 ( 0.000 1.405 6.132) 6.291 25.086 ( 0.000 1.412 5.506) 5.684 25.185 ( 0.000 -0.832 3.947) 4.034 25.261 ( 0.000 -1.299 3.141) 3.399 26.198 ( 0.000 6.694 3.731) 7.664 26.243 ( 0.000 12.738 2.511) 12.983 26.367 ( 0.000 2.409 -0.609) 2.485 26.370 ( 0.000 -0.381 -1.946) 1.983 26.949 ( 0.000 -5.171 -9.218) 10.570 27.272 ( 0.000 -4.184 -14.947) 15.522 27.314 ( 0.000 1.250 -5.849) 5.981 27.555 ( 0.000 -2.699 -11.700) 12.007 29.519 ( 0.000 2.021 14.092) 14.236 29.529 ( 0.000 0.243 16.914) 16.915 29.696 ( 0.000 1.766 17.470) 17.559 30.592 ( 0.000 -12.654 -0.317) 12.658 ======================= Grid point 111 (41/72) ======================= q-point: ( 0.20 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 18.090 8.017 35.844) 40.943 3.003 ( 12.086 15.689 37.429) 42.345 4.042 ( -18.020 13.172 22.541) 31.723 4.200 ( -17.801 2.502 9.536) 20.349 4.347 ( -4.355 -15.563 2.337) 16.329 4.582 ( 3.609 -13.281 6.498) 15.219 4.688 ( -6.841 -6.194 10.699) 14.130 4.725 ( 3.150 2.291 21.603) 21.952 4.945 ( 6.179 4.080 0.995) 7.471 4.986 ( 3.318 5.147 -0.627) 6.156 5.055 ( -1.724 1.726 -2.041) 3.181 5.150 ( -1.503 4.855 3.157) 5.983 5.371 ( 16.459 1.153 13.335) 21.215 5.427 ( -2.344 1.707 18.230) 18.459 5.503 ( 3.331 0.110 11.989) 12.444 5.737 ( 1.532 11.176 2.902) 11.647 5.839 ( 2.910 6.044 -3.236) 7.448 6.144 ( -1.704 -1.444 0.615) 2.317 6.276 ( -4.237 -2.034 -2.298) 5.232 6.349 ( -2.720 9.833 3.064) 10.652 6.375 ( 1.547 -0.241 6.544) 6.729 6.464 ( 1.022 -0.052 -10.254) 10.305 6.589 ( 5.111 0.681 -6.862) 8.583 6.632 ( -0.941 1.539 -4.418) 4.772 6.844 ( -4.092 -2.819 -5.358) 7.308 6.940 ( -8.321 2.885 -8.843) 12.480 7.023 ( 5.954 -4.369 0.075) 7.386 7.047 ( 0.779 -8.520 -7.477) 11.363 7.131 ( 7.371 -1.012 -6.359) 9.787 7.353 ( -0.560 1.395 -5.757) 5.951 7.452 ( 3.904 -4.921 -6.451) 9.004 7.581 ( -7.993 -0.759 -7.630) 11.076 7.759 ( -2.654 1.245 -5.451) 6.189 7.817 ( 7.006 4.337 -12.069) 14.613 7.952 ( -0.532 2.102 -10.481) 10.703 8.045 ( -3.301 0.209 1.218) 3.525 8.099 ( -6.810 1.578 -5.562) 8.933 8.202 ( -5.525 0.952 -3.286) 6.499 8.279 ( -3.090 -4.838 -2.736) 6.360 8.403 ( 0.246 -1.628 -4.855) 5.126 8.525 ( 0.669 -1.942 -5.927) 6.273 8.557 ( -1.981 1.284 -1.756) 2.943 8.628 ( -6.605 -0.287 -8.403) 10.692 8.881 ( -4.146 -3.811 -9.385) 10.945 9.059 ( 0.097 -1.006 -6.278) 6.359 9.157 ( 9.165 5.768 -4.205) 11.616 9.293 ( -11.019 8.784 -9.686) 17.099 9.638 ( 9.140 -7.906 -3.621) 12.616 9.713 ( 2.457 -9.047 2.315) 9.656 9.793 ( 6.834 -8.827 7.255) 13.314 10.024 ( 7.888 -4.636 -0.158) 9.151 10.195 ( -1.637 -5.117 1.474) 5.571 10.237 ( 6.773 -2.553 -4.657) 8.607 10.282 ( 2.395 3.895 2.511) 5.217 10.344 ( -2.035 3.024 0.540) 3.684 10.543 ( -4.722 4.726 -4.059) 7.817 10.563 ( 8.465 5.522 -3.277) 10.625 10.656 ( -9.243 -2.729 -0.367) 9.645 10.768 ( 0.602 2.797 1.717) 3.336 10.818 ( -1.274 -0.102 -1.744) 2.162 11.058 ( -1.173 0.943 -6.426) 6.600 11.080 ( 2.344 -3.946 -4.572) 6.478 11.144 ( -0.196 -1.055 -7.383) 7.460 11.183 ( 8.755 -2.771 1.514) 9.307 11.299 ( -0.395 -0.969 -0.400) 1.120 11.411 ( -2.661 -1.947 0.479) 3.332 11.622 ( 7.956 -3.368 -8.606) 12.195 11.700 ( -2.725 3.440 -0.542) 4.422 11.786 ( -4.268 5.422 -3.503) 7.738 11.974 ( 2.644 -4.489 -1.840) 5.525 12.042 ( 2.496 2.462 1.117) 3.679 12.135 ( 5.552 5.287 -4.058) 8.675 12.247 ( 1.148 -3.818 -7.305) 8.323 12.440 ( 2.356 -1.262 -1.371) 3.004 12.558 ( -17.588 -2.433 -8.591) 19.724 12.612 ( 6.993 4.296 -4.260) 9.247 12.931 ( -0.425 1.727 0.866) 1.978 13.012 ( -2.381 -3.219 0.595) 4.047 13.082 ( -10.161 -0.519 2.845) 10.564 13.193 ( -0.510 0.371 -8.648) 8.671 13.357 ( 0.194 0.746 -6.130) 6.178 13.576 ( 1.345 -6.542 7.325) 9.913 13.599 ( 5.931 -6.854 5.211) 10.455 13.935 ( -5.483 -8.327 8.006) 12.787 14.100 ( 0.575 -6.216 8.761) 10.757 14.171 ( -0.731 -1.941 6.827) 7.136 14.239 ( 5.270 -0.954 10.469) 11.759 14.283 ( -0.355 9.380 9.518) 13.368 14.443 ( -2.679 -5.472 8.408) 10.383 14.609 ( -1.563 12.306 9.088) 15.377 14.765 ( 2.109 6.073 9.059) 11.108 15.217 ( -7.223 10.103 -0.443) 12.427 15.695 ( -0.181 -0.062 -5.972) 5.975 15.725 ( 0.021 1.154 -3.433) 3.622 15.863 ( 2.481 6.340 -4.685) 8.265 15.922 ( 6.789 1.451 -7.925) 10.536 16.080 ( -1.630 8.904 -3.862) 9.842 16.235 ( 4.423 4.661 -3.967) 7.552 16.407 ( -0.762 -0.779 -4.744) 4.868 16.491 ( -4.390 2.669 -9.518) 10.817 17.900 ( 4.567 -4.158 -4.412) 7.590 17.978 ( 5.458 -4.828 -8.003) 10.823 18.201 ( -3.492 -2.636 -2.345) 4.964 18.749 ( -12.533 -14.969 -2.214) 19.648 25.047 ( 0.467 1.455 6.049) 6.239 25.080 ( -0.477 1.445 5.580) 5.783 25.198 ( 1.189 -0.911 3.735) 4.024 25.258 ( -0.394 -1.285 3.164) 3.438 26.195 ( -0.221 7.352 3.995) 8.370 26.215 ( -1.302 9.952 4.318) 10.926 26.444 ( 8.528 0.214 -1.150) 8.607 26.546 ( 14.536 2.295 -6.272) 15.997 26.972 ( 2.107 -5.646 -9.280) 11.065 27.227 ( -8.173 1.692 -5.864) 10.200 27.243 ( -2.864 -3.967 -14.416) 15.224 27.467 ( -8.773 -2.422 -12.203) 15.223 29.533 ( 1.646 1.759 14.600) 14.797 29.603 ( 5.397 0.736 16.501) 17.377 29.700 ( 1.953 0.488 16.692) 16.813 30.468 ( -11.864 -10.841 2.985) 16.346 ======================= Grid point 112 (42/72) ======================= q-point: ( 0.40 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 22.233 6.863 30.369) 38.258 3.341 ( 21.863 12.016 30.543) 39.436 3.642 ( -21.875 10.373 26.961) 36.235 3.794 ( -22.978 5.925 20.588) 31.416 4.319 ( 2.219 -11.128 2.450) 11.608 4.442 ( -9.991 -5.290 3.168) 11.741 4.708 ( 4.975 -15.224 7.156) 17.543 4.780 ( -1.197 -8.180 8.029) 11.525 5.019 ( 1.880 1.682 -1.024) 2.723 5.046 ( 0.608 3.960 -2.952) 4.977 5.055 ( 2.127 4.809 -1.825) 5.566 5.108 ( -2.045 6.701 2.378) 7.399 5.488 ( 8.648 7.204 28.083) 30.255 5.581 ( 2.218 2.670 17.418) 17.761 5.714 ( 12.836 4.961 7.746) 15.791 5.832 ( 3.301 9.668 4.977) 11.364 5.850 ( 7.401 10.119 5.254) 13.593 6.037 ( -4.512 0.407 0.247) 4.537 6.108 ( -10.591 4.842 9.341) 14.929 6.242 ( -14.112 0.004 7.660) 16.057 6.388 ( -3.705 2.966 -2.927) 5.575 6.406 ( -3.642 -5.708 -8.432) 10.814 6.554 ( 4.511 -1.504 -9.743) 10.841 6.679 ( -7.984 -1.443 -14.320) 16.458 6.864 ( 8.932 1.395 -10.892) 14.155 6.931 ( 6.993 -1.216 -2.680) 7.587 7.026 ( -0.061 -2.460 -5.002) 5.574 7.146 ( -0.775 -4.886 -6.629) 8.271 7.238 ( -2.297 3.333 -6.155) 7.367 7.250 ( 1.893 5.605 -7.116) 9.253 7.461 ( 6.464 -0.501 0.323) 6.491 7.626 ( -7.452 -5.696 -3.481) 10.005 7.746 ( 6.318 -3.205 -11.886) 13.837 7.853 ( -5.337 6.971 -2.324) 9.082 7.942 ( 5.549 -2.626 -6.061) 8.627 8.005 ( -0.179 -0.825 -9.110) 9.149 8.033 ( -1.259 0.292 -7.971) 8.075 8.128 ( -7.977 -10.508 -2.564) 13.440 8.253 ( 5.024 -3.295 -5.854) 8.388 8.400 ( -4.008 -6.306 -7.663) 10.703 8.442 ( -4.147 -2.591 -9.309) 10.515 8.481 ( -3.608 -0.739 -3.631) 5.172 8.610 ( 7.935 5.134 -2.698) 9.829 8.818 ( -8.379 11.001 -4.529) 14.552 9.031 ( -2.301 1.699 -3.773) 4.734 9.050 ( -5.504 2.305 -7.205) 9.355 9.359 ( 9.311 -2.429 -5.633) 11.150 9.534 ( -8.319 -8.042 -2.372) 11.812 9.921 ( 7.982 -6.645 5.618) 11.808 10.033 ( 12.075 -10.288 -3.066) 16.157 10.055 ( -5.050 -3.781 3.392) 7.163 10.193 ( -4.939 -9.690 -1.740) 11.014 10.265 ( 4.771 0.802 0.583) 4.873 10.350 ( -1.395 5.419 1.358) 5.758 10.395 ( 4.788 5.098 -2.492) 7.425 10.499 ( -3.345 2.138 -2.107) 4.494 10.565 ( 10.079 -0.437 -0.722) 10.115 10.728 ( 6.793 1.020 -0.614) 6.896 10.735 ( -4.152 -3.410 1.076) 5.479 10.905 ( 9.979 7.721 -2.954) 12.958 10.936 ( -10.205 2.372 -3.394) 11.013 11.109 ( -0.767 -0.176 -6.254) 6.304 11.132 ( -1.474 0.953 -4.036) 4.401 11.162 ( -9.954 2.754 -3.619) 10.944 11.415 ( 10.903 -2.280 2.997) 11.535 11.440 ( 6.015 -1.933 0.977) 6.393 11.557 ( -6.801 1.069 -0.957) 6.951 11.640 ( -9.653 2.728 2.054) 10.240 11.864 ( 11.769 -2.388 -12.832) 17.574 12.029 ( 3.298 1.512 -0.869) 3.731 12.035 ( -3.604 -0.819 -1.419) 3.959 12.185 ( -14.805 2.326 -12.130) 19.280 12.273 ( 7.563 -3.617 -6.119) 10.379 12.328 ( 3.290 -4.510 -9.259) 10.812 12.546 ( 6.618 -3.552 1.189) 7.604 12.715 ( -7.255 -0.759 0.232) 7.298 12.868 ( 5.735 4.085 -2.131) 7.357 12.986 ( -2.757 1.122 0.993) 3.138 12.990 ( 0.393 0.873 -0.867) 1.292 13.077 ( -8.531 0.069 -10.112) 13.230 13.392 ( 3.572 -2.128 -3.377) 5.357 13.500 ( -6.748 -4.783 0.984) 8.329 13.737 ( 6.636 -8.926 6.380) 12.822 13.842 ( -4.456 -9.654 6.870) 12.659 14.102 ( 1.029 -2.951 7.972) 8.563 14.143 ( -2.433 -0.801 7.766) 8.177 14.289 ( 2.118 2.547 6.676) 7.453 14.341 ( -1.307 1.839 9.393) 9.661 14.433 ( 5.883 2.170 11.576) 13.165 14.551 ( -4.614 4.472 13.022) 14.521 14.858 ( 7.692 8.532 5.254) 12.632 15.041 ( -10.103 9.069 3.005) 13.905 15.698 ( 0.556 0.146 -4.049) 4.090 15.714 ( -0.996 0.925 -3.696) 3.938 15.926 ( 3.354 6.365 -3.470) 7.987 15.977 ( -1.477 5.940 -4.793) 7.774 16.152 ( 8.309 4.626 -8.279) 12.609 16.284 ( -1.852 1.251 -5.251) 5.707 16.377 ( -1.598 2.953 -8.363) 9.012 16.400 ( -2.948 2.753 -6.401) 7.566 17.998 ( 5.435 -3.482 -6.540) 9.189 18.105 ( -4.494 -2.998 -4.292) 6.900 18.165 ( 11.901 -6.856 -1.159) 13.783 18.454 ( -16.217 -10.438 0.183) 19.287 25.058 ( 0.596 1.525 5.880) 6.103 25.070 ( -0.592 1.517 5.714) 5.941 25.224 ( 1.300 -1.066 3.453) 3.841 25.245 ( -0.890 -1.211 3.260) 3.590 26.193 ( 0.103 8.164 4.644) 9.393 26.199 ( -0.521 8.612 4.877) 9.911 26.668 ( 13.553 -0.302 -2.141) 13.724 26.854 ( 10.003 -0.160 -8.545) 13.156 26.965 ( -1.990 -3.341 -6.897) 7.918 27.099 ( 0.305 -0.348 -11.023) 11.033 27.170 ( -4.312 -3.349 -13.163) 14.250 27.230 ( -14.885 -1.509 -12.739) 19.650 29.575 ( 2.488 1.853 15.488) 15.796 29.621 ( -1.866 2.067 16.541) 16.773 29.876 ( 14.034 -3.575 13.534) 19.822 30.181 ( -16.344 -7.086 9.047) 19.980 ======================= Grid point 115 (43/72) ======================= q-point: ( 0.00 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 0.000 20.032 34.306) 39.726 3.249 ( 0.000 20.672 33.673) 39.512 3.927 ( 0.000 -29.483 20.905) 36.143 4.101 ( 0.000 -20.675 13.512) 24.699 4.462 ( 0.000 4.178 -0.299) 4.189 4.567 ( 0.000 10.280 15.125) 18.288 4.820 ( 0.000 5.481 -0.453) 5.500 4.860 ( 0.000 1.653 -0.118) 1.657 4.918 ( 0.000 5.409 4.532) 7.057 5.002 ( 0.000 -1.709 1.123) 2.045 5.070 ( 0.000 9.635 20.765) 22.891 5.259 ( 0.000 4.929 13.386) 14.265 5.327 ( 0.000 7.696 -0.200) 7.699 5.468 ( 0.000 -1.166 8.635) 8.713 5.551 ( 0.000 11.089 18.211) 21.322 5.784 ( 0.000 -2.677 0.547) 2.733 5.969 ( 0.000 3.408 -4.541) 5.678 6.052 ( 0.000 4.707 5.377) 7.146 6.136 ( 0.000 -9.727 9.381) 13.513 6.391 ( 0.000 3.081 -8.700) 9.229 6.547 ( 0.000 8.363 2.744) 8.802 6.594 ( 0.000 -0.373 -7.104) 7.114 6.618 ( 0.000 -2.153 -10.170) 10.395 6.711 ( 0.000 -17.619 -15.102) 23.206 6.739 ( 0.000 -2.399 -13.429) 13.642 6.800 ( 0.000 9.741 -3.398) 10.317 6.836 ( 0.000 -7.652 -8.726) 11.606 6.952 ( 0.000 1.502 7.255) 7.409 7.148 ( 0.000 3.150 2.475) 4.006 7.313 ( 0.000 -5.581 -2.276) 6.027 7.413 ( 0.000 5.766 -5.679) 8.093 7.655 ( 0.000 -5.154 -8.044) 9.554 7.663 ( 0.000 -7.763 -6.951) 10.420 7.890 ( 0.000 9.021 -4.530) 10.095 7.895 ( 0.000 -8.813 -8.249) 12.072 8.092 ( 0.000 3.088 -2.698) 4.101 8.172 ( 0.000 -4.334 -8.991) 9.981 8.182 ( 0.000 -5.214 2.797) 5.917 8.456 ( 0.000 4.637 -15.543) 16.220 8.463 ( 0.000 6.508 -8.516) 10.719 8.630 ( 0.000 10.716 -6.471) 12.518 8.684 ( 0.000 4.989 -2.896) 5.769 8.812 ( 0.000 0.448 -1.072) 1.162 8.831 ( 0.000 -2.893 -5.323) 6.058 8.957 ( 0.000 5.194 -0.113) 5.195 9.067 ( 0.000 1.840 -4.735) 5.080 9.343 ( 0.000 -8.610 3.414) 9.262 9.513 ( 0.000 -12.819 3.167) 13.205 9.613 ( 0.000 1.791 0.721) 1.930 9.628 ( 0.000 4.171 -7.463) 8.549 9.916 ( 0.000 -1.079 3.315) 3.486 10.003 ( 0.000 -5.266 -1.938) 5.612 10.129 ( 0.000 -4.465 -0.664) 4.514 10.232 ( 0.000 -3.550 -0.443) 3.577 10.437 ( 0.000 -3.621 -2.299) 4.289 10.530 ( 0.000 -8.913 -2.949) 9.388 10.561 ( 0.000 6.939 -1.694) 7.143 10.703 ( 0.000 -1.094 -0.729) 1.315 10.778 ( 0.000 -1.898 2.819) 3.398 10.806 ( 0.000 -0.256 -2.974) 2.985 11.041 ( 0.000 -4.346 -5.843) 7.282 11.053 ( 0.000 7.425 -11.982) 14.096 11.134 ( 0.000 4.122 -2.497) 4.819 11.177 ( 0.000 3.006 -4.727) 5.602 11.319 ( 0.000 -7.787 0.689) 7.817 11.335 ( 0.000 0.324 -6.337) 6.346 11.423 ( 0.000 -2.106 -4.827) 5.267 11.652 ( 0.000 -14.697 -9.169) 17.323 11.806 ( 0.000 4.045 0.738) 4.111 11.915 ( 0.000 0.724 -1.646) 1.798 12.089 ( 0.000 5.049 1.271) 5.206 12.239 ( 0.000 -0.977 -1.136) 1.498 12.312 ( 0.000 11.237 -4.446) 12.085 12.434 ( 0.000 1.989 -0.785) 2.138 12.602 ( 0.000 5.141 -2.125) 5.563 12.747 ( 0.000 -6.561 -17.956) 19.117 12.983 ( 0.000 5.696 -1.749) 5.958 13.020 ( 0.000 4.098 -0.734) 4.163 13.155 ( 0.000 0.591 2.094) 2.176 13.187 ( 0.000 -1.883 2.857) 3.422 13.295 ( 0.000 -6.174 -5.795) 8.468 13.437 ( 0.000 -7.127 7.360) 10.245 13.478 ( 0.000 0.543 3.665) 3.705 13.786 ( 0.000 -15.712 4.104) 16.239 13.973 ( 0.000 0.430 5.356) 5.373 14.094 ( 0.000 -4.931 2.037) 5.335 14.187 ( 0.000 2.112 16.117) 16.255 14.328 ( 0.000 -5.458 15.825) 16.740 14.538 ( 0.000 12.050 9.271) 15.203 14.774 ( 0.000 -1.447 10.002) 10.106 14.995 ( 0.000 17.446 6.831) 18.736 15.354 ( 0.000 -2.429 2.550) 3.522 15.730 ( 0.000 2.448 -6.111) 6.583 15.789 ( 0.000 -1.624 -5.939) 6.157 15.912 ( 0.000 11.547 -5.719) 12.885 16.031 ( 0.000 10.874 -5.937) 12.389 16.113 ( 0.000 -1.437 -1.032) 1.769 16.363 ( 0.000 -4.380 -5.390) 6.945 16.414 ( 0.000 11.508 -7.045) 13.493 16.574 ( 0.000 1.441 -8.830) 8.947 17.762 ( 0.000 -3.857 -3.862) 5.459 17.824 ( 0.000 -5.990 -10.536) 12.120 18.194 ( 0.000 -0.908 -0.756) 1.181 18.512 ( 0.000 -18.576 1.026) 18.604 25.078 ( 0.000 2.261 5.534) 5.978 25.124 ( 0.000 2.476 4.815) 5.414 25.161 ( 0.000 -1.660 4.294) 4.604 25.226 ( 0.000 -2.355 3.497) 4.216 26.328 ( 0.000 2.871 -1.013) 3.045 26.361 ( 0.000 -0.576 -1.720) 1.814 26.390 ( 0.000 8.914 0.330) 8.920 26.604 ( 0.000 17.916 -6.103) 18.927 26.807 ( 0.000 -9.464 -7.041) 11.795 27.146 ( 0.000 -9.093 -14.150) 16.820 27.350 ( 0.000 2.588 -6.748) 7.227 27.488 ( 0.000 -4.039 -10.025) 10.808 29.536 ( 0.000 0.514 16.469) 16.477 29.549 ( 0.000 0.628 14.724) 14.738 29.782 ( 0.000 7.870 16.204) 18.015 30.297 ( 0.000 -16.842 7.345) 18.374 ======================= Grid point 116 (44/72) ======================= q-point: ( 0.20 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 13.587 16.830 31.241) 37.998 3.353 ( 10.295 19.380 32.335) 39.079 3.923 ( 1.109 -23.760 18.517) 30.144 4.161 ( 0.303 -14.543 12.394) 19.110 4.316 ( -9.858 0.660 10.128) 14.149 4.352 ( -17.550 10.564 16.921) 26.569 4.656 ( -17.266 -1.275 9.930) 19.958 4.713 ( -5.381 -5.193 3.345) 8.192 4.995 ( 4.459 3.409 3.970) 6.875 5.035 ( 3.378 1.511 -4.557) 5.870 5.173 ( 2.703 9.508 1.515) 10.000 5.298 ( 0.067 7.389 3.871) 8.342 5.424 ( 13.536 3.964 9.006) 16.735 5.557 ( 8.678 6.965 12.936) 17.064 5.607 ( 5.124 13.312 13.966) 19.963 5.786 ( 1.336 -4.082 0.607) 4.337 5.983 ( 1.593 7.439 -0.371) 7.617 6.135 ( 4.911 2.884 0.173) 5.698 6.214 ( 6.572 -6.624 5.926) 11.053 6.358 ( -5.401 0.017 -4.806) 7.229 6.430 ( -5.354 -1.366 -6.508) 8.538 6.551 ( -10.578 0.426 -5.189) 11.790 6.609 ( 7.768 0.504 -3.555) 8.557 6.668 ( -1.141 2.169 -6.567) 7.009 6.730 ( -2.482 -5.153 -8.905) 10.584 6.869 ( 0.413 -7.412 -12.868) 14.856 6.889 ( 3.906 -1.189 -3.955) 5.685 7.064 ( 6.405 3.538 8.859) 11.490 7.166 ( 4.025 2.687 -0.721) 4.892 7.286 ( -2.025 -7.296 -1.257) 7.675 7.442 ( 2.249 4.479 -5.446) 7.401 7.571 ( -3.267 -0.149 -12.536) 12.955 7.710 ( 1.505 -5.506 -4.806) 7.462 7.864 ( -1.010 -3.603 -8.632) 9.408 7.947 ( -4.801 -3.743 -1.362) 6.238 7.994 ( 0.585 4.151 -5.362) 6.806 8.078 ( -7.769 -5.170 -2.246) 9.598 8.154 ( -3.901 -3.616 -1.901) 5.649 8.359 ( -9.548 5.632 -7.423) 13.341 8.413 ( -4.949 4.641 -10.412) 12.427 8.550 ( -13.143 -5.854 -10.382) 17.743 8.615 ( 0.864 7.161 -0.802) 7.258 8.628 ( -3.426 7.105 -0.270) 7.893 8.899 ( 3.400 -1.259 -4.574) 5.837 8.981 ( 1.303 1.170 -1.719) 2.454 9.268 ( 5.863 2.807 -2.070) 6.822 9.427 ( -7.300 -3.788 -2.096) 8.487 9.463 ( 8.880 1.526 -3.207) 9.564 9.606 ( 0.193 -1.809 -3.923) 4.324 9.676 ( 2.072 -2.906 -1.926) 4.056 9.873 ( 7.554 -10.649 3.096) 13.419 10.033 ( -4.043 -11.975 -2.976) 12.985 10.190 ( 4.261 -1.345 -0.503) 4.497 10.291 ( 5.525 -2.941 1.626) 6.466 10.396 ( 3.076 3.483 -3.881) 6.054 10.567 ( 2.673 3.016 -0.620) 4.078 10.668 ( -1.738 2.601 -0.891) 3.253 10.700 ( 6.676 2.882 -1.220) 7.373 10.751 ( -4.686 -1.216 -0.985) 4.940 10.873 ( -0.505 -6.269 -4.840) 7.936 10.960 ( 6.149 5.076 -0.328) 7.981 11.051 ( 0.178 -3.570 -5.578) 6.624 11.163 ( -1.635 3.985 -5.910) 7.314 11.211 ( 2.982 2.136 -2.699) 4.554 11.266 ( -1.770 -2.091 -0.430) 2.773 11.370 ( -0.376 -0.885 -1.550) 1.823 11.512 ( 8.467 -7.842 -8.583) 14.383 11.682 ( 1.464 -9.295 -6.275) 11.310 11.860 ( 5.325 1.238 -3.376) 6.425 11.884 ( -3.110 1.742 -0.524) 3.603 12.109 ( 1.277 4.186 1.226) 4.545 12.191 ( -2.850 2.179 -2.578) 4.417 12.332 ( -1.671 7.819 -7.584) 11.021 12.413 ( 0.376 -0.414 -0.219) 0.600 12.566 ( -12.506 2.759 -14.839) 19.601 12.665 ( 5.373 -0.091 -4.036) 6.721 12.966 ( -5.129 2.520 1.308) 5.862 12.980 ( -2.084 1.237 -2.420) 3.425 13.092 ( -5.106 1.198 1.459) 5.444 13.191 ( -3.621 -2.570 -4.376) 6.234 13.311 ( 1.964 -4.619 -1.212) 5.163 13.432 ( 3.458 -9.036 5.710) 11.234 13.510 ( 0.284 0.044 2.330) 2.347 13.741 ( -3.731 -11.065 3.268) 12.126 14.015 ( 3.205 -0.474 6.472) 7.237 14.115 ( 2.170 -3.569 4.304) 5.998 14.206 ( 1.237 0.425 15.433) 15.488 14.312 ( -1.690 -4.932 14.938) 15.822 14.559 ( 2.550 12.368 9.512) 15.810 14.798 ( 2.699 -0.630 9.877) 10.259 14.933 ( -5.451 15.467 6.259) 17.553 15.274 ( -7.463 -2.331 3.194) 8.446 15.752 ( 0.916 3.978 -6.972) 8.079 15.783 ( 1.533 2.184 -1.768) 3.201 15.980 ( 1.520 5.872 -7.946) 9.996 15.985 ( 0.106 3.881 -2.159) 4.442 16.175 ( 4.676 4.834 -3.719) 7.685 16.367 ( 0.668 -1.012 -6.878) 6.984 16.423 ( 0.505 8.456 -6.821) 10.876 16.543 ( -3.079 2.244 -9.473) 10.210 17.812 ( 4.773 -4.108 -4.042) 7.483 17.866 ( 4.477 -6.094 -7.859) 10.906 18.153 ( -4.006 -1.333 -1.260) 4.406 18.426 ( -8.234 -16.379 1.445) 18.389 25.085 ( 0.583 2.349 5.438) 5.952 25.119 ( -0.398 2.492 4.877) 5.491 25.172 ( 1.007 -1.755 4.130) 4.599 25.223 ( -0.351 -2.338 3.525) 4.244 26.361 ( 2.025 7.710 -0.159) 7.973 26.393 ( 1.215 7.739 0.448) 7.847 26.447 ( 7.711 0.505 -1.229) 7.825 26.671 ( 7.423 11.368 -8.662) 16.104 26.824 ( 1.541 -9.560 -6.928) 11.907 27.125 ( -2.083 -8.475 -13.820) 16.345 27.271 ( -7.581 2.809 -7.137) 10.784 27.406 ( -8.141 -3.740 -10.590) 13.872 29.564 ( 2.338 1.338 15.320) 15.555 29.608 ( 6.147 -0.612 15.756) 16.924 29.760 ( -2.035 6.691 16.203) 17.648 30.213 ( -8.143 -14.704 8.996) 19.065 ======================= Grid point 117 (45/72) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 21.330 11.694 25.377) 35.152 3.620 ( 16.250 14.869 27.557) 35.278 3.829 ( -22.351 8.467 20.155) 31.264 3.942 ( -12.677 2.462 18.786) 22.797 4.081 ( 2.799 -6.321 16.589) 17.972 4.310 ( -15.085 -7.176 14.310) 21.996 4.401 ( 7.848 -16.473 12.492) 22.113 4.574 ( -8.605 -12.730 7.390) 17.050 5.077 ( 4.150 4.527 -2.537) 6.645 5.135 ( 5.812 3.407 -2.288) 7.115 5.151 ( -3.222 6.395 -4.925) 8.690 5.242 ( -4.908 5.267 -0.876) 7.252 5.693 ( 8.413 5.658 5.271) 11.427 5.713 ( 4.204 10.602 5.033) 12.466 5.819 ( 16.609 13.028 20.366) 29.332 5.868 ( 8.052 -5.730 -4.152) 10.720 5.999 ( -0.716 5.538 0.226) 5.588 6.089 ( -10.959 5.273 -1.528) 12.257 6.243 ( -1.057 8.519 1.843) 8.780 6.320 ( 0.751 3.004 -8.088) 8.660 6.368 ( -1.347 4.173 13.380) 14.081 6.507 ( -3.003 -3.591 -2.314) 5.222 6.515 ( -5.212 9.312 -4.726) 11.672 6.614 ( -3.521 -6.065 -10.061) 12.264 6.829 ( 2.732 -4.650 -4.117) 6.785 6.883 ( 5.964 -5.777 -5.088) 9.738 6.896 ( -2.288 -8.578 -3.943) 9.715 7.008 ( -3.915 -8.639 -0.681) 9.510 7.327 ( 8.782 5.033 0.744) 10.149 7.350 ( 6.169 3.606 -6.437) 9.617 7.445 ( -2.412 1.418 -3.799) 4.718 7.539 ( -6.591 -1.128 -2.605) 7.176 7.729 ( 5.071 -0.025 -9.437) 10.713 7.832 ( -1.307 -8.704 -5.615) 10.441 7.878 ( -0.055 -5.093 -6.842) 8.529 7.929 ( -6.231 -5.896 -3.786) 9.377 8.004 ( -1.437 0.650 -2.670) 3.101 8.097 ( -10.517 3.334 -5.780) 12.455 8.161 ( 3.645 -5.038 -3.306) 7.043 8.293 ( -8.368 -4.576 -9.568) 13.510 8.437 ( 2.470 2.832 -7.658) 8.530 8.536 ( -5.661 6.184 0.987) 8.441 8.749 ( 11.005 0.654 3.294) 11.506 8.941 ( -1.028 -8.070 2.350) 8.468 8.985 ( -1.423 3.785 -2.491) 4.749 9.108 ( -13.680 14.373 -3.496) 20.148 9.374 ( 6.445 1.743 -13.175) 14.770 9.515 ( -5.316 5.480 -10.138) 12.691 9.744 ( 7.167 -10.549 -2.569) 13.009 9.789 ( 6.483 -12.451 -3.623) 14.497 9.921 ( -1.868 -14.359 -2.490) 14.692 9.961 ( -3.486 -9.036 -2.207) 9.934 10.313 ( 9.241 4.330 3.630) 10.831 10.437 ( 3.775 2.676 3.652) 5.895 10.516 ( 7.708 4.938 -1.857) 9.340 10.540 ( -4.270 2.780 1.226) 5.240 10.595 ( -2.001 4.314 -2.074) 5.189 10.680 ( -4.517 -1.856 1.011) 4.987 10.782 ( 5.811 1.322 -1.968) 6.276 10.945 ( -1.009 -4.503 -2.872) 5.435 10.999 ( 0.193 0.582 -5.394) 5.429 11.079 ( 0.693 -0.581 -2.264) 2.438 11.122 ( 0.280 -1.133 -5.878) 5.993 11.172 ( -4.761 -1.200 0.796) 4.974 11.389 ( 13.324 2.542 -0.065) 13.565 11.440 ( 6.401 2.244 -2.311) 7.166 11.559 ( -4.577 -1.677 -1.714) 5.168 11.639 ( -8.409 -2.959 -2.794) 9.342 11.861 ( 4.483 2.386 -6.709) 8.415 12.016 ( -3.467 -0.702 -2.166) 4.148 12.029 ( 3.898 -4.132 -6.765) 8.834 12.167 ( -2.583 -1.060 -3.174) 4.227 12.277 ( 1.267 4.269 -10.282) 11.205 12.370 ( -7.036 7.847 -10.280) 14.723 12.523 ( 7.895 -0.100 -1.658) 8.068 12.684 ( -6.455 -4.087 -4.097) 8.669 12.896 ( 1.168 1.269 -0.373) 1.765 12.949 ( -0.588 -2.768 -2.755) 3.949 12.991 ( -3.159 -1.484 2.149) 4.099 13.078 ( -6.608 -2.003 -6.914) 9.771 13.364 ( 4.482 0.098 0.807) 4.555 13.462 ( -4.390 1.155 0.369) 4.554 13.552 ( 6.231 -9.137 2.126) 11.262 13.658 ( -4.747 -8.778 1.794) 10.140 14.081 ( 3.628 1.141 9.427) 10.166 14.141 ( -1.270 0.675 10.344) 10.444 14.224 ( 1.706 -3.952 10.780) 11.608 14.270 ( -2.397 -4.646 11.882) 12.981 14.649 ( 6.426 12.557 10.573) 17.628 14.784 ( -6.620 13.157 10.932) 18.342 14.922 ( 7.209 -0.771 5.154) 8.896 15.098 ( -9.865 -1.969 4.733) 11.118 15.774 ( 1.686 6.161 -4.249) 7.671 15.804 ( -0.665 6.531 -2.060) 6.880 15.972 ( 1.751 -1.165 -3.162) 3.798 16.012 ( -1.144 -1.065 -2.923) 3.315 16.285 ( 6.262 7.755 -7.298) 12.353 16.375 ( -1.441 5.978 -8.576) 10.553 16.428 ( 0.613 2.955 -7.454) 8.042 16.469 ( -3.654 3.384 -10.345) 11.482 17.923 ( 6.325 -3.530 -4.857) 8.721 18.007 ( 9.577 -7.776 -1.541) 12.432 18.050 ( -6.000 -2.562 -2.820) 7.108 18.224 ( -11.590 -11.873 1.239) 16.639 25.098 ( 0.679 2.513 5.233) 5.845 25.110 ( -0.547 2.576 5.027) 5.675 25.194 ( 1.084 -2.031 3.851) 4.487 25.212 ( -0.750 -2.246 3.635) 4.338 26.388 ( 1.044 11.594 0.823) 11.670 26.402 ( -0.287 11.296 1.077) 11.351 26.650 ( 11.610 -1.976 -1.961) 11.939 26.809 ( -1.708 -6.772 -5.065) 8.627 26.910 ( 12.501 0.195 -11.015) 16.663 27.080 ( -1.788 -5.810 -12.870) 14.233 27.107 ( -6.878 1.167 -10.038) 12.225 27.190 ( -13.184 -2.490 -11.501) 17.672 29.623 ( 3.525 3.095 15.664) 16.352 29.690 ( -2.629 5.232 15.993) 17.031 29.791 ( 9.778 -4.862 14.759) 18.359 30.011 ( -11.711 -9.931 12.213) 19.620 ======================= Grid point 120 (46/72) ======================= q-point: ( 0.00 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( 0.000 -24.522 27.902) 37.146 3.342 ( 0.000 24.522 27.902) 37.146 3.698 ( 0.000 -19.525 25.151) 31.840 3.698 ( 0.000 19.525 25.151) 31.840 4.566 ( 0.000 -5.714 0.855) 5.778 4.566 ( 0.000 5.714 0.855) 5.778 4.886 ( 0.000 -0.192 1.747) 1.758 4.886 ( 0.000 0.192 1.747) 1.758 4.976 ( 0.000 -0.407 2.623) 2.655 4.976 ( 0.000 0.407 2.623) 2.655 5.336 ( 0.000 -12.683 13.897) 18.814 5.336 ( 0.000 12.683 13.897) 18.814 5.353 ( 0.000 -4.168 6.857) 8.024 5.353 ( 0.000 4.168 6.857) 8.024 5.835 ( 0.000 -0.471 4.679) 4.702 5.835 ( 0.000 0.471 4.679) 4.702 5.862 ( 0.000 -10.302 13.488) 16.973 5.862 ( 0.000 10.302 13.488) 16.973 6.333 ( 0.000 -17.147 -3.746) 17.551 6.333 ( 0.000 17.147 -3.746) 17.551 6.511 ( 0.000 -6.217 -13.195) 14.586 6.511 ( 0.000 6.217 -13.195) 14.586 6.637 ( 0.000 -2.114 -11.870) 12.057 6.637 ( 0.000 2.114 -11.870) 12.057 6.699 ( 0.000 -6.360 -6.934) 9.409 6.699 ( 0.000 6.360 -6.934) 9.409 7.014 ( 0.000 -3.044 6.865) 7.510 7.014 ( 0.000 3.044 6.865) 7.510 7.154 ( 0.000 -3.373 -2.124) 3.986 7.154 ( 0.000 3.373 -2.124) 3.986 7.560 ( 0.000 -6.270 -9.269) 11.191 7.560 ( 0.000 6.270 -9.269) 11.191 7.676 ( 0.000 -10.215 -2.893) 10.616 7.676 ( 0.000 10.215 -2.893) 10.616 8.034 ( 0.000 -6.713 0.304) 6.720 8.034 ( 0.000 6.713 0.304) 6.720 8.146 ( 0.000 -0.149 -6.567) 6.569 8.146 ( 0.000 0.149 -6.567) 6.569 8.544 ( 0.000 -2.054 -13.904) 14.055 8.544 ( 0.000 2.054 -13.904) 14.055 8.724 ( 0.000 -1.356 -7.573) 7.693 8.724 ( 0.000 1.356 -7.573) 7.693 8.782 ( 0.000 -0.870 -5.840) 5.904 8.782 ( 0.000 0.870 -5.840) 5.904 9.159 ( 0.000 -4.507 4.667) 6.488 9.159 ( 0.000 4.507 4.667) 6.488 9.227 ( 0.000 -13.034 3.586) 13.518 9.227 ( 0.000 13.034 3.586) 13.518 9.676 ( 0.000 -1.428 -1.195) 1.862 9.676 ( 0.000 1.428 -1.195) 1.862 9.919 ( 0.000 -2.057 0.658) 2.160 9.919 ( 0.000 2.057 0.658) 2.160 10.127 ( 0.000 -5.108 -0.597) 5.143 10.127 ( 0.000 5.108 -0.597) 5.143 10.400 ( 0.000 -1.723 -7.335) 7.535 10.400 ( 0.000 1.723 -7.335) 7.535 10.690 ( 0.000 -2.598 0.153) 2.603 10.690 ( 0.000 2.598 0.153) 2.603 10.774 ( 0.000 -2.864 0.000) 2.864 10.774 ( 0.000 2.864 0.000) 2.864 11.042 ( 0.000 -5.197 -8.702) 10.136 11.042 ( 0.000 5.197 -8.702) 10.136 11.205 ( 0.000 -1.667 -1.288) 2.106 11.205 ( 0.000 1.667 -1.288) 2.106 11.286 ( 0.000 -3.981 -1.522) 4.262 11.286 ( 0.000 3.981 -1.522) 4.262 11.451 ( 0.000 -5.715 -11.828) 13.136 11.451 ( 0.000 5.715 -11.828) 13.136 11.884 ( 0.000 -3.557 -0.078) 3.557 11.884 ( 0.000 3.557 -0.078) 3.557 12.183 ( 0.000 -4.432 0.453) 4.455 12.183 ( 0.000 4.432 0.453) 4.455 12.453 ( 0.000 -2.463 -2.865) 3.778 12.453 ( 0.000 2.463 -2.865) 3.778 12.664 ( 0.000 -2.401 -10.561) 10.831 12.664 ( 0.000 2.401 -10.561) 10.831 13.084 ( 0.000 -0.327 -2.468) 2.489 13.084 ( 0.000 0.327 -2.468) 2.489 13.162 ( 0.000 -4.788 0.677) 4.835 13.162 ( 0.000 4.788 0.677) 4.835 13.258 ( 0.000 -9.535 2.046) 9.753 13.258 ( 0.000 9.535 2.046) 9.753 13.564 ( 0.000 -7.774 4.116) 8.796 13.564 ( 0.000 7.774 4.116) 8.796 14.013 ( 0.000 -3.457 3.720) 5.078 14.013 ( 0.000 3.457 3.720) 5.078 14.243 ( 0.000 -3.694 17.110) 17.505 14.243 ( 0.000 3.694 17.110) 17.505 14.707 ( 0.000 -5.765 8.872) 10.580 14.707 ( 0.000 5.765 8.872) 10.580 15.249 ( 0.000 -8.999 4.582) 10.098 15.249 ( 0.000 8.999 4.582) 10.098 15.763 ( 0.000 -1.240 -5.064) 5.214 15.763 ( 0.000 1.240 -5.064) 5.214 16.066 ( 0.000 -4.489 -2.275) 5.032 16.066 ( 0.000 4.489 -2.275) 5.032 16.234 ( 0.000 -9.259 -6.739) 11.451 16.234 ( 0.000 9.259 -6.739) 11.451 16.561 ( 0.000 -3.703 -7.915) 8.739 16.561 ( 0.000 3.703 -7.915) 8.739 17.739 ( 0.000 -1.997 -7.256) 7.526 17.739 ( 0.000 1.997 -7.256) 7.526 18.250 ( 0.000 -7.997 1.120) 8.075 18.250 ( 0.000 7.997 1.120) 8.075 25.123 ( 0.000 -2.269 4.858) 5.362 25.123 ( 0.000 2.269 4.858) 5.362 25.175 ( 0.000 -2.825 4.081) 4.964 25.175 ( 0.000 2.825 4.081) 4.964 26.349 ( 0.000 -0.655 -1.487) 1.625 26.349 ( 0.000 0.655 -1.487) 1.625 26.601 ( 0.000 -11.646 -3.495) 12.159 26.601 ( 0.000 11.646 -3.495) 12.159 26.921 ( 0.000 -14.542 -11.727) 18.681 26.921 ( 0.000 14.542 -11.727) 18.681 27.411 ( 0.000 -3.758 -8.190) 9.011 27.411 ( 0.000 3.758 -8.190) 9.011 29.547 ( 0.000 -0.535 15.775) 15.784 29.547 ( 0.000 0.535 15.775) 15.784 29.995 ( 0.000 -14.079 12.959) 19.136 29.995 ( 0.000 14.079 12.959) 19.136 ======================= Grid point 122 (47/72) ======================= q-point: ( 0.20 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.413 ( 7.553 -20.778 25.774) 33.957 3.413 ( 7.553 20.778 25.774) 33.957 3.792 ( 8.907 -18.715 24.326) 31.958 3.792 ( 8.907 18.715 24.326) 31.958 4.418 ( -14.886 -4.830 8.230) 17.682 4.418 ( -14.886 4.830 8.230) 17.682 4.636 ( -16.457 -1.405 9.961) 19.288 4.636 ( -16.457 1.405 9.961) 19.288 5.051 ( 4.463 -1.135 -1.494) 4.842 5.051 ( 4.463 1.135 -1.494) 4.842 5.330 ( -1.319 -4.546 -0.839) 4.807 5.330 ( -1.319 4.546 -0.839) 4.807 5.515 ( 12.098 -6.680 6.536) 15.287 5.515 ( 12.098 6.680 6.536) 15.287 5.895 ( 3.167 -4.528 0.220) 5.530 5.895 ( 3.167 4.528 0.220) 5.530 5.955 ( 10.982 -11.891 18.212) 24.365 5.955 ( 10.982 11.891 18.212) 24.365 6.346 ( 0.595 -14.174 -3.445) 14.599 6.346 ( 0.595 14.174 -3.445) 14.599 6.397 ( -6.599 -3.374 -10.088) 12.518 6.397 ( -6.599 3.374 -10.088) 12.518 6.641 ( 1.475 -4.406 -5.357) 7.091 6.641 ( 1.475 4.406 -5.357) 7.091 6.745 ( -0.883 -5.221 -12.180) 13.281 6.745 ( -0.883 5.221 -12.180) 13.281 7.022 ( -1.762 -8.741 5.754) 10.612 7.022 ( -1.762 8.741 5.754) 10.612 7.199 ( 6.591 -3.210 -0.752) 7.370 7.199 ( 6.591 3.210 -0.752) 7.370 7.543 ( -1.132 -4.249 -9.418) 10.394 7.543 ( -1.132 4.249 -9.418) 10.394 7.707 ( 2.820 -8.075 -3.362) 9.190 7.707 ( 2.820 8.075 -3.362) 9.190 7.970 ( -7.932 -4.869 -1.606) 9.445 7.970 ( -7.932 4.869 -1.606) 9.445 8.082 ( -4.532 -3.608 -2.703) 6.392 8.082 ( -4.532 3.608 -2.703) 6.392 8.442 ( -9.624 -4.680 -10.535) 15.018 8.442 ( -9.624 4.680 -10.535) 15.018 8.574 ( -9.176 -8.864 -4.500) 13.529 8.574 ( -9.176 8.864 -4.500) 13.529 8.789 ( 2.680 -6.738 -1.447) 7.394 8.789 ( 2.680 6.738 -1.447) 7.394 9.168 ( 0.626 -11.008 -0.748) 11.052 9.168 ( 0.626 11.008 -0.748) 11.052 9.435 ( 12.524 -4.260 -2.032) 13.384 9.435 ( 12.524 4.260 -2.032) 13.384 9.663 ( -4.241 -7.741 -2.505) 9.176 9.663 ( -4.241 7.741 -2.505) 9.176 9.790 ( -4.342 -12.184 -4.243) 13.613 9.790 ( -4.342 12.184 -4.243) 13.613 10.218 ( 7.427 -3.703 1.140) 8.377 10.218 ( 7.427 3.703 1.140) 8.377 10.504 ( 7.353 -7.134 -3.219) 10.739 10.504 ( 7.353 7.134 -3.219) 10.739 10.712 ( -1.934 -3.004 -0.140) 3.576 10.712 ( -1.934 3.004 -0.140) 3.576 10.786 ( 4.235 -4.512 -1.859) 6.461 10.786 ( 4.235 4.512 -1.859) 6.461 11.016 ( -2.353 -1.405 -5.625) 6.257 11.016 ( -2.353 1.405 -5.625) 6.257 11.194 ( -2.105 -2.109 1.379) 3.283 11.194 ( -2.105 2.109 1.379) 3.283 11.331 ( 6.159 -7.063 -3.418) 9.975 11.331 ( 6.159 7.063 -3.418) 9.975 11.486 ( 2.980 -8.530 -10.537) 13.881 11.486 ( 2.980 8.530 -10.537) 13.881 11.894 ( 0.598 -1.284 -2.329) 2.726 11.894 ( 0.598 1.284 -2.329) 2.726 12.183 ( -0.522 -2.968 0.276) 3.026 12.183 ( -0.522 2.968 0.276) 3.026 12.429 ( -2.770 -1.283 -5.336) 6.148 12.429 ( -2.770 1.283 -5.336) 6.148 12.619 ( -2.742 -3.143 -8.931) 9.857 12.619 ( -2.742 3.143 -8.931) 9.857 13.030 ( -6.654 -2.786 -0.353) 7.222 13.030 ( -6.654 2.786 -0.353) 7.222 13.099 ( -5.093 -4.960 -2.374) 7.495 13.099 ( -5.093 4.960 -2.374) 7.495 13.293 ( 5.097 -4.444 2.503) 7.211 13.293 ( 5.097 4.444 2.503) 7.211 13.575 ( -0.411 -6.158 2.540) 6.674 13.575 ( -0.411 6.158 2.540) 6.674 14.048 ( 3.370 -3.102 5.427) 7.102 14.048 ( 3.370 3.102 5.427) 7.102 14.239 ( -0.765 -2.845 16.460) 16.722 14.239 ( -0.765 2.845 16.460) 16.722 14.734 ( 3.049 -6.007 8.469) 10.821 14.734 ( 3.049 6.007 8.469) 10.821 15.169 ( -7.331 -8.804 4.981) 12.493 15.169 ( -7.331 8.804 4.981) 12.493 15.796 ( 3.131 -0.662 -4.120) 5.217 15.796 ( 3.131 0.662 -4.120) 5.217 16.032 ( -2.982 -0.628 -1.524) 3.407 16.032 ( -2.982 0.628 -1.524) 3.407 16.293 ( 5.086 -5.927 -8.072) 11.232 16.293 ( 5.086 5.927 -8.072) 11.232 16.545 ( -1.694 -2.896 -8.369) 9.016 16.545 ( -1.694 2.896 -8.369) 9.016 17.783 ( 4.420 -1.685 -5.884) 7.550 17.783 ( 4.420 1.685 -5.884) 7.550 18.196 ( -5.314 -6.901 0.878) 8.754 18.196 ( -5.314 6.901 0.878) 8.754 25.131 ( 0.752 -2.330 4.729) 5.325 25.131 ( 0.752 2.330 4.729) 5.325 25.172 ( -0.315 -2.780 4.128) 4.987 25.172 ( -0.315 2.780 4.128) 4.987 26.425 ( 7.062 -1.348 -1.470) 7.339 26.425 ( 7.062 1.348 -1.470) 7.339 26.612 ( 0.957 -11.754 -3.318) 12.251 26.612 ( 0.957 11.754 -3.318) 12.251 26.921 ( 0.362 -12.631 -12.008) 17.432 26.921 ( 0.362 12.631 -12.008) 17.432 27.333 ( -7.638 -3.673 -8.733) 12.170 27.333 ( -7.638 3.673 -8.733) 12.170 29.588 ( 4.021 -1.248 15.758) 16.311 29.588 ( 4.021 1.248 15.758) 16.311 29.947 ( -4.641 -12.436 13.561) 18.976 29.947 ( -4.641 12.436 13.561) 18.976 ======================= Grid point 124 (48/72) ======================= q-point: ( 0.40 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( 15.417 -13.356 21.304) 29.495 3.639 ( 15.417 13.356 21.304) 29.495 3.940 ( -5.506 -2.955 18.451) 19.480 3.940 ( -5.506 2.955 18.451) 19.480 4.124 ( -1.626 -6.207 19.596) 20.620 4.124 ( -1.626 6.207 19.596) 20.620 4.339 ( -14.415 -10.268 16.385) 24.118 4.339 ( -14.415 10.268 16.385) 24.118 5.151 ( 5.635 -1.991 -3.939) 7.158 5.151 ( 5.635 1.991 -3.939) 7.158 5.260 ( -5.243 -3.475 -3.938) 7.421 5.260 ( -5.243 3.475 -3.938) 7.421 5.751 ( 11.035 -3.785 -3.559) 12.197 5.751 ( 11.035 3.785 -3.559) 12.197 5.905 ( -3.782 -6.786 -5.515) 9.527 5.905 ( -3.782 6.786 -5.515) 9.527 6.210 ( 10.574 -15.257 14.593) 23.612 6.210 ( 10.574 15.257 14.593) 23.612 6.318 ( -2.239 -10.559 -1.556) 10.905 6.318 ( -2.239 10.559 -1.556) 10.905 6.377 ( 6.789 -2.747 -1.458) 7.468 6.377 ( 6.789 2.747 -1.458) 7.468 6.617 ( -7.559 -2.557 -3.915) 8.888 6.617 ( -7.559 2.557 -3.915) 8.888 6.739 ( 2.908 -4.939 -3.955) 6.963 6.739 ( 2.908 4.939 -3.955) 6.963 6.873 ( -10.019 -4.494 0.237) 10.984 6.873 ( -10.019 4.494 0.237) 10.984 7.387 ( 9.852 -0.631 0.943) 9.917 7.387 ( 9.852 0.631 0.943) 9.917 7.522 ( -2.727 -3.654 -4.376) 6.320 7.522 ( -2.727 3.654 -4.376) 6.320 7.754 ( 1.005 -4.224 -6.558) 7.865 7.754 ( 1.005 4.224 -6.558) 7.865 7.792 ( -6.053 -3.490 -5.012) 8.599 7.792 ( -6.053 3.490 -5.012) 8.599 8.049 ( 2.758 -4.410 -2.484) 5.764 8.049 ( 2.758 4.410 -2.484) 5.764 8.206 ( -11.923 -4.962 -7.544) 14.956 8.206 ( -11.923 4.962 -7.544) 14.956 8.567 ( 5.795 -9.597 -0.758) 11.236 8.567 ( 5.795 9.597 -0.758) 11.236 8.725 ( -8.368 -10.565 5.989) 14.748 8.725 ( -8.368 10.565 5.989) 14.748 9.250 ( 8.284 -13.789 -10.129) 19.009 9.250 ( 8.284 13.789 -10.129) 19.009 9.447 ( -10.792 -15.000 -8.266) 20.243 9.447 ( -10.792 15.000 -8.266) 20.243 9.669 ( 8.349 -5.104 -4.090) 10.606 9.669 ( 8.349 5.104 -4.090) 10.606 9.780 ( -2.114 -8.456 -4.480) 9.800 9.780 ( -2.114 8.456 -4.480) 9.800 10.406 ( 10.994 -4.534 3.878) 12.508 10.406 ( 10.994 4.534 3.878) 12.508 10.585 ( -4.875 -3.335 2.319) 6.345 10.585 ( -4.875 3.335 2.319) 6.345 10.666 ( 4.129 -5.185 -3.432) 7.464 10.666 ( 4.129 5.185 -3.432) 7.464 10.792 ( -5.846 -7.913 -3.475) 10.434 10.792 ( -5.846 7.913 -3.475) 10.434 11.041 ( 5.594 -4.286 -2.343) 7.427 11.041 ( 5.594 4.286 -2.343) 7.427 11.139 ( -3.724 -2.528 -1.410) 4.717 11.139 ( -3.724 2.528 -1.410) 4.717 11.483 ( 7.211 -4.413 -1.313) 8.555 11.483 ( 7.211 4.413 -1.313) 8.555 11.539 ( 1.339 -6.330 -5.609) 8.563 11.539 ( 1.339 6.330 -5.609) 8.563 11.922 ( 4.159 -4.192 -6.318) 8.648 11.922 ( 4.159 4.192 -6.318) 8.648 12.087 ( -10.003 -5.610 -2.347) 11.707 12.087 ( -10.003 5.610 -2.347) 11.707 12.430 ( 4.978 -7.724 -5.919) 10.931 12.430 ( 4.978 7.724 -5.919) 10.931 12.556 ( -5.511 -7.817 -7.922) 12.419 12.556 ( -5.511 7.817 -7.922) 12.419 12.932 ( -0.667 -1.205 -0.166) 1.387 12.932 ( -0.667 1.205 -0.166) 1.387 12.993 ( -5.380 -5.105 -3.362) 8.143 12.993 ( -5.380 5.105 -3.362) 8.143 13.415 ( 6.507 -5.037 1.414) 8.349 13.415 ( 6.507 5.037 1.414) 8.349 13.525 ( -4.454 -5.155 1.236) 6.923 13.525 ( -4.454 5.155 1.236) 6.923 14.127 ( 4.293 -2.859 9.238) 10.581 14.127 ( 4.293 2.859 9.238) 10.581 14.201 ( -3.090 -2.281 13.521) 14.056 14.201 ( -3.090 2.281 13.521) 14.056 14.836 ( 7.326 -6.677 7.810) 12.619 14.836 ( 7.326 6.677 7.810) 12.619 15.001 ( -9.153 -7.881 6.462) 13.699 15.001 ( -9.153 7.881 6.462) 13.699 15.873 ( 4.450 -2.554 -2.535) 5.723 15.873 ( 4.450 2.554 -2.535) 5.723 15.960 ( -4.298 -2.971 -1.424) 5.416 15.960 ( -4.298 2.971 -1.424) 5.416 16.400 ( 5.427 -3.180 -9.370) 11.286 16.400 ( 5.427 3.180 -9.370) 11.286 16.492 ( -3.829 -1.758 -9.257) 10.170 16.492 ( -3.829 1.758 -9.257) 10.170 17.903 ( 7.587 -2.224 -2.887) 8.417 17.903 ( 7.587 2.224 -2.887) 8.417 18.061 ( -8.077 -4.462 -0.321) 9.233 18.061 ( -8.077 4.462 -0.321) 9.233 25.148 ( 0.889 -2.484 4.479) 5.198 25.148 ( 0.889 2.484 4.479) 5.198 25.163 ( -0.643 -2.658 4.264) 5.066 25.163 ( -0.643 2.658 4.264) 5.066 26.570 ( 6.022 -5.876 -1.413) 8.532 26.570 ( 6.022 5.876 -1.413) 8.532 26.625 ( -0.240 -10.753 -2.528) 11.048 26.625 ( -0.240 10.753 -2.528) 11.048 26.968 ( 5.608 -5.173 -12.246) 14.428 26.968 ( 5.608 5.173 -12.246) 14.428 27.142 ( -10.915 -2.368 -10.339) 15.219 27.142 ( -10.915 2.368 -10.339) 15.219 29.694 ( 6.584 -4.316 15.514) 17.397 29.694 ( 6.584 4.316 15.514) 17.397 29.830 ( -6.972 -8.539 14.723) 18.392 29.830 ( -6.972 8.539 14.723) 18.392 ======================= Grid point 140 (49/72) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 0.000 0.000 40.680) 40.680 3.469 ( 0.000 0.000 35.631) 35.631 4.394 ( 0.000 0.000 -5.106) 5.106 4.413 ( 0.000 0.000 9.025) 9.025 4.515 ( 0.000 0.000 10.652) 10.652 4.707 ( 0.000 0.000 -5.837) 5.837 4.752 ( 0.000 0.000 2.473) 2.473 4.855 ( 0.000 0.000 -0.423) 0.423 5.044 ( 0.000 0.000 1.717) 1.717 5.077 ( 0.000 0.000 3.845) 3.845 5.078 ( 0.000 0.000 1.499) 1.499 5.137 ( 0.000 0.000 -4.989) 4.989 5.388 ( 0.000 0.000 -4.580) 4.580 5.443 ( 0.000 0.000 12.546) 12.546 5.541 ( 0.000 0.000 -6.174) 6.174 5.801 ( 0.000 0.000 10.964) 10.964 6.106 ( 0.000 0.000 1.717) 1.717 6.243 ( 0.000 0.000 24.703) 24.703 6.303 ( 0.000 0.000 -2.073) 2.073 6.342 ( 0.000 0.000 -3.032) 3.032 6.370 ( 0.000 0.000 3.477) 3.477 6.430 ( 0.000 0.000 0.807) 0.807 6.538 ( 0.000 0.000 26.033) 26.033 6.626 ( 0.000 0.000 -5.400) 5.400 6.717 ( 0.000 0.000 -21.419) 21.419 6.761 ( 0.000 0.000 -7.445) 7.445 6.887 ( 0.000 0.000 -9.718) 9.718 7.060 ( 0.000 0.000 -11.906) 11.906 7.061 ( 0.000 0.000 7.544) 7.544 7.159 ( 0.000 0.000 -0.529) 0.529 7.185 ( 0.000 0.000 -12.397) 12.397 7.231 ( 0.000 0.000 -13.502) 13.502 7.620 ( 0.000 0.000 -9.668) 9.668 7.701 ( 0.000 0.000 -3.502) 3.502 7.888 ( 0.000 0.000 -6.016) 6.016 7.924 ( 0.000 0.000 -7.619) 7.619 8.071 ( 0.000 0.000 -5.682) 5.682 8.279 ( 0.000 0.000 -3.798) 3.798 8.373 ( 0.000 0.000 3.384) 3.384 8.398 ( 0.000 0.000 -0.649) 0.649 8.444 ( 0.000 0.000 4.630) 4.630 8.600 ( 0.000 0.000 -1.335) 1.335 8.683 ( 0.000 0.000 7.672) 7.672 8.823 ( 0.000 0.000 -7.325) 7.325 8.848 ( 0.000 0.000 -10.940) 10.940 8.949 ( 0.000 0.000 -3.189) 3.189 9.126 ( 0.000 0.000 -12.952) 12.952 9.370 ( 0.000 0.000 5.678) 5.678 9.784 ( 0.000 0.000 -9.239) 9.239 9.983 ( 0.000 0.000 7.444) 7.444 10.124 ( 0.000 0.000 9.252) 9.252 10.124 ( 0.000 0.000 -1.396) 1.396 10.292 ( 0.000 0.000 -1.827) 1.827 10.302 ( 0.000 0.000 -3.967) 3.967 10.320 ( 0.000 0.000 -3.806) 3.806 10.353 ( 0.000 0.000 2.175) 2.175 10.369 ( 0.000 0.000 5.379) 5.379 10.787 ( 0.000 0.000 1.993) 1.993 10.804 ( 0.000 0.000 -4.841) 4.841 10.816 ( 0.000 0.000 -2.648) 2.648 10.953 ( 0.000 0.000 -6.274) 6.274 11.018 ( 0.000 0.000 -6.333) 6.333 11.070 ( 0.000 0.000 -5.472) 5.472 11.071 ( 0.000 0.000 -3.012) 3.012 11.330 ( 0.000 0.000 5.683) 5.683 11.464 ( 0.000 0.000 -2.912) 2.912 11.485 ( 0.000 0.000 -4.467) 4.467 11.610 ( 0.000 0.000 -3.885) 3.885 11.709 ( 0.000 0.000 -1.381) 1.381 11.940 ( 0.000 0.000 4.892) 4.892 11.978 ( 0.000 0.000 -0.394) 0.394 11.993 ( 0.000 0.000 0.245) 0.245 12.106 ( 0.000 0.000 -13.674) 13.674 12.461 ( 0.000 0.000 2.881) 2.881 12.483 ( 0.000 0.000 4.223) 4.223 12.715 ( 0.000 0.000 -19.381) 19.381 12.874 ( 0.000 0.000 -3.281) 3.281 12.912 ( 0.000 0.000 -6.480) 6.480 13.057 ( 0.000 0.000 -1.505) 1.505 13.073 ( 0.000 0.000 -8.985) 8.985 13.531 ( 0.000 0.000 11.907) 11.907 13.695 ( 0.000 0.000 6.609) 6.609 13.705 ( 0.000 0.000 4.537) 4.537 14.213 ( 0.000 0.000 2.519) 2.519 14.275 ( 0.000 0.000 13.166) 13.166 14.362 ( 0.000 0.000 3.931) 3.931 14.420 ( 0.000 0.000 13.296) 13.296 14.485 ( 0.000 0.000 14.379) 14.379 14.493 ( 0.000 0.000 -6.087) 6.087 14.714 ( 0.000 0.000 3.430) 3.430 14.897 ( 0.000 0.000 2.728) 2.728 14.997 ( 0.000 0.000 3.151) 3.151 15.642 ( 0.000 0.000 -5.265) 5.265 15.717 ( 0.000 0.000 0.375) 0.375 15.722 ( 0.000 0.000 -4.563) 4.563 15.730 ( 0.000 0.000 2.738) 2.738 15.911 ( 0.000 0.000 1.927) 1.927 16.072 ( 0.000 0.000 -5.561) 5.561 16.313 ( 0.000 0.000 -11.685) 11.685 16.325 ( 0.000 0.000 -6.639) 6.639 17.788 ( 0.000 0.000 -6.614) 6.614 17.827 ( 0.000 0.000 -4.211) 4.211 18.284 ( 0.000 0.000 4.189) 4.189 18.867 ( 0.000 0.000 -11.590) 11.590 25.137 ( 0.000 0.000 4.804) 4.804 25.178 ( 0.000 0.000 4.966) 4.966 25.244 ( 0.000 0.000 1.435) 1.435 25.311 ( 0.000 0.000 0.759) 0.759 26.248 ( 0.000 0.000 7.971) 7.971 26.275 ( 0.000 0.000 9.362) 9.362 26.339 ( 0.000 0.000 -0.688) 0.688 26.343 ( 0.000 0.000 -1.185) 1.185 26.799 ( 0.000 0.000 -10.632) 10.632 27.016 ( 0.000 0.000 -15.187) 15.187 27.217 ( 0.000 0.000 -3.072) 3.072 27.372 ( 0.000 0.000 -9.082) 9.082 29.746 ( 0.000 0.000 11.106) 11.106 29.798 ( 0.000 0.000 10.674) 10.674 30.005 ( 0.000 0.000 15.472) 15.472 30.618 ( 0.000 0.000 -6.378) 6.378 ======================= Grid point 141 (50/72) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 14.229 0.000 37.629) 40.230 3.554 ( 8.426 0.000 34.261) 35.282 4.292 ( -10.880 0.000 13.478) 17.321 4.349 ( -3.335 0.000 -4.723) 5.781 4.420 ( -9.412 0.000 15.220) 17.895 4.650 ( -5.256 0.000 0.343) 5.268 4.813 ( 3.675 0.000 -4.593) 5.882 4.903 ( 2.218 0.000 2.093) 3.049 4.960 ( -5.184 0.000 -0.933) 5.267 5.055 ( 0.528 0.000 2.566) 2.620 5.085 ( -0.257 0.000 6.717) 6.722 5.152 ( 1.556 0.000 -2.686) 3.104 5.385 ( 0.617 0.000 -9.229) 9.250 5.474 ( 4.217 0.000 1.856) 4.608 5.618 ( 2.056 0.000 -5.204) 5.596 5.867 ( 6.244 0.000 11.218) 12.839 6.093 ( -0.903 0.000 2.578) 2.732 6.214 ( 0.989 0.000 16.647) 16.676 6.216 ( -4.151 0.000 -4.830) 6.369 6.365 ( -2.679 0.000 -2.237) 3.490 6.407 ( 1.654 0.000 -0.456) 1.716 6.442 ( -10.889 0.000 16.878) 20.085 6.498 ( 7.892 0.000 -0.861) 7.939 6.540 ( -7.460 0.000 -5.377) 9.196 6.717 ( -0.471 0.000 3.089) 3.125 6.756 ( 4.446 0.000 -7.169) 8.436 6.940 ( 4.387 0.000 -9.556) 10.515 7.007 ( -4.322 0.000 -8.439) 9.482 7.143 ( 2.239 0.000 2.424) 3.300 7.179 ( -0.841 0.000 -9.944) 9.980 7.282 ( 17.841 0.000 -4.641) 18.435 7.421 ( 11.693 0.000 -15.468) 19.390 7.589 ( -10.885 0.000 -2.375) 11.141 7.662 ( 3.473 0.000 -7.388) 8.164 7.772 ( -9.747 0.000 -0.622) 9.767 7.886 ( -4.424 0.000 -8.587) 9.659 8.016 ( -3.820 0.000 -2.642) 4.645 8.187 ( -6.510 0.000 0.818) 6.561 8.295 ( -0.222 0.000 -6.902) 6.906 8.435 ( -1.235 0.000 2.985) 3.231 8.518 ( 3.546 0.000 -0.397) 3.568 8.547 ( -3.292 0.000 0.236) 3.301 8.621 ( -5.325 0.000 6.672) 8.537 8.814 ( -2.146 0.000 -9.348) 9.591 8.830 ( -1.767 0.000 -8.879) 9.053 8.841 ( -9.890 0.000 -2.347) 10.164 9.174 ( 8.813 0.000 -0.871) 8.856 9.646 ( 17.562 0.000 -1.547) 17.630 9.859 ( 7.563 0.000 -11.388) 13.671 10.030 ( 5.488 0.000 9.251) 10.756 10.115 ( -0.648 0.000 7.194) 7.223 10.237 ( -0.002 0.000 -2.032) 2.032 10.248 ( -4.325 0.000 -1.669) 4.636 10.265 ( 9.196 0.000 -2.539) 9.540 10.311 ( -3.161 0.000 2.873) 4.271 10.344 ( -2.783 0.000 2.895) 4.016 10.393 ( 4.227 0.000 -6.773) 7.984 10.754 ( -3.437 0.000 -0.535) 3.478 10.786 ( -0.087 0.000 1.909) 1.911 10.801 ( -1.079 0.000 -1.481) 1.833 10.964 ( 1.073 0.000 -5.720) 5.820 10.966 ( -3.699 0.000 -2.714) 4.588 11.019 ( -0.058 0.000 -5.803) 5.803 11.208 ( 5.421 0.000 -7.047) 8.891 11.395 ( 5.965 0.000 5.417) 8.058 11.440 ( -3.350 0.000 -0.429) 3.378 11.491 ( 1.447 0.000 -7.697) 7.832 11.614 ( -7.954 0.000 -4.150) 8.972 11.636 ( 1.218 0.000 -2.172) 2.490 11.994 ( 1.843 0.000 0.248) 1.860 12.005 ( -8.322 0.000 -14.258) 16.509 12.036 ( 3.507 0.000 0.245) 3.516 12.063 ( 8.414 0.000 0.419) 8.425 12.483 ( 2.950 0.000 0.344) 2.970 12.492 ( -2.323 0.000 1.037) 2.544 12.558 ( -2.795 0.000 -3.556) 4.523 12.875 ( -0.233 0.000 -5.352) 5.357 13.012 ( -5.155 0.000 -5.217) 7.334 13.037 ( -2.412 0.000 -3.423) 4.188 13.065 ( 8.154 0.000 -12.390) 14.832 13.274 ( -16.203 0.000 9.407) 18.736 13.700 ( -2.725 0.000 0.630) 2.797 13.878 ( 8.694 0.000 8.441) 12.118 14.206 ( -4.073 0.000 -0.702) 4.133 14.293 ( 1.767 0.000 13.034) 13.153 14.318 ( -2.037 0.000 5.752) 6.102 14.377 ( -3.199 0.000 3.672) 4.870 14.409 ( -1.069 0.000 13.170) 13.213 14.554 ( 3.477 0.000 9.982) 10.570 14.731 ( 1.681 0.000 3.471) 3.857 14.879 ( -1.826 0.000 2.877) 3.408 15.001 ( -0.491 0.000 3.422) 3.457 15.651 ( 1.401 0.000 -5.163) 5.350 15.716 ( 0.387 0.000 -1.791) 1.833 15.735 ( 0.617 0.000 2.684) 2.754 15.806 ( 6.524 0.000 -4.881) 8.148 15.864 ( -3.586 0.000 1.551) 3.907 16.129 ( 4.488 0.000 -5.174) 6.849 16.260 ( -5.278 0.000 -11.508) 12.661 16.315 ( -1.083 0.000 -6.528) 6.617 17.823 ( 4.283 0.000 -4.614) 6.296 17.928 ( 9.330 0.000 -4.629) 10.415 18.238 ( -4.604 0.000 3.560) 5.820 18.757 ( -10.690 0.000 -9.669) 14.414 25.140 ( 0.313 0.000 4.752) 4.762 25.171 ( -0.582 0.000 4.821) 4.856 25.255 ( 1.009 0.000 1.377) 1.707 25.307 ( -0.360 0.000 0.782) 0.861 26.250 ( 0.172 0.000 8.125) 8.127 26.272 ( -0.326 0.000 9.259) 9.265 26.421 ( 8.131 0.000 -0.885) 8.179 26.452 ( 10.607 0.000 -2.773) 10.963 26.820 ( 2.083 0.000 -11.072) 11.266 26.995 ( -2.056 0.000 -14.750) 14.892 27.132 ( -8.432 0.000 -2.843) 8.899 27.280 ( -9.090 0.000 -8.881) 12.708 29.770 ( 2.437 0.000 11.570) 11.824 29.862 ( 5.500 0.000 10.139) 11.535 29.996 ( -0.154 0.000 14.298) 14.299 30.536 ( -8.078 0.000 -4.104) 9.060 ======================= Grid point 142 (51/72) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.774 ( 13.435 0.000 29.888) 32.768 3.801 ( 19.617 0.000 30.936) 36.632 4.044 ( -13.731 0.000 21.595) 25.591 4.163 ( -16.563 0.000 23.365) 28.640 4.331 ( 2.619 0.000 -2.405) 3.556 4.466 ( -10.595 0.000 1.745) 10.737 4.887 ( 3.147 0.000 -4.217) 5.262 4.919 ( 0.200 0.000 -3.949) 3.954 4.970 ( 3.712 0.000 1.117) 3.877 5.046 ( -2.286 0.000 1.063) 2.521 5.089 ( 1.490 0.000 6.021) 6.203 5.140 ( -2.821 0.000 5.558) 6.232 5.426 ( 4.030 0.000 -9.534) 10.351 5.545 ( -7.288 0.000 -8.072) 10.875 5.658 ( 14.645 0.000 -10.777) 18.183 5.972 ( -10.012 0.000 -12.962) 16.378 6.024 ( 2.944 0.000 11.882) 12.242 6.155 ( -8.437 0.000 5.395) 10.014 6.218 ( 3.310 0.000 -5.185) 6.151 6.298 ( -4.246 0.000 -5.793) 7.182 6.336 ( 7.026 0.000 13.728) 15.422 6.429 ( -4.115 0.000 5.595) 6.945 6.475 ( 7.651 0.000 7.983) 11.058 6.671 ( 9.778 0.000 -3.789) 10.486 6.704 ( -6.361 0.000 17.403) 18.529 6.843 ( -4.578 0.000 -6.741) 8.148 6.952 ( 6.418 0.000 -4.083) 7.607 6.994 ( -0.028 0.000 -10.053) 10.053 7.044 ( -8.132 0.000 -3.143) 8.718 7.112 ( -6.447 0.000 -8.188) 10.422 7.496 ( 4.254 0.000 0.342) 4.267 7.604 ( -2.254 0.000 -9.223) 9.494 7.620 ( 12.386 0.000 -5.893) 13.716 7.656 ( 5.087 0.000 -6.591) 8.326 7.711 ( 0.529 0.000 -3.517) 3.557 7.784 ( -5.696 0.000 -10.727) 12.146 8.004 ( 5.421 0.000 -2.512) 5.975 8.133 ( 3.665 0.000 -2.600) 4.493 8.203 ( -9.953 0.000 -7.767) 12.624 8.358 ( -16.106 0.000 -5.573) 17.043 8.429 ( 2.140 0.000 1.330) 2.519 8.496 ( -3.263 0.000 1.505) 3.593 8.640 ( 5.985 0.000 10.064) 11.710 8.733 ( -3.321 0.000 11.848) 12.305 8.764 ( -1.528 0.000 -9.431) 9.554 8.779 ( -2.553 0.000 -9.093) 9.445 9.422 ( 14.528 0.000 1.045) 14.566 9.668 ( -9.184 0.000 0.886) 9.227 10.092 ( 4.524 0.000 -9.418) 10.448 10.105 ( 3.003 0.000 -3.642) 4.720 10.118 ( 1.462 0.000 2.827) 3.182 10.171 ( -3.559 0.000 0.660) 3.620 10.264 ( -0.866 0.000 2.929) 3.055 10.285 ( -2.621 0.000 2.473) 3.603 10.361 ( 3.629 0.000 -4.157) 5.518 10.407 ( 3.482 0.000 -12.715) 13.183 10.520 ( 20.045 0.000 5.389) 20.757 10.778 ( 4.926 0.000 0.407) 4.943 10.785 ( -0.051 0.000 1.410) 1.411 10.787 ( -0.341 0.000 0.623) 0.710 10.882 ( -5.226 0.000 -0.109) 5.228 10.989 ( 1.353 0.000 -5.093) 5.270 11.011 ( -0.779 0.000 -5.122) 5.181 11.075 ( -20.521 0.000 -2.141) 20.633 11.429 ( 4.915 0.000 -2.536) 5.531 11.502 ( -2.057 0.000 -3.847) 4.362 11.523 ( 6.342 0.000 4.037) 7.517 11.569 ( 4.840 0.000 -16.767) 17.451 11.619 ( -3.101 0.000 1.229) 3.336 11.750 ( -13.187 0.000 -21.163) 24.936 12.043 ( 2.793 0.000 1.523) 3.181 12.078 ( -0.084 0.000 1.955) 1.957 12.283 ( 10.413 0.000 2.385) 10.683 12.414 ( -3.856 0.000 0.537) 3.893 12.603 ( 9.269 0.000 -6.100) 11.096 12.658 ( 9.644 0.000 3.883) 10.397 12.798 ( -8.979 0.000 -10.404) 13.743 12.921 ( -16.402 0.000 7.884) 18.198 12.947 ( 0.418 0.000 -0.786) 0.891 12.984 ( -2.726 0.000 -2.267) 3.546 13.269 ( 11.171 0.000 -9.807) 14.865 13.528 ( -13.686 0.000 -4.791) 14.500 14.001 ( 4.860 0.000 3.348) 5.901 14.091 ( -5.074 0.000 -2.224) 5.540 14.315 ( -0.419 0.000 8.793) 8.803 14.323 ( -1.533 0.000 9.406) 9.530 14.336 ( 2.393 0.000 12.879) 13.099 14.379 ( -1.977 0.000 12.948) 13.098 14.722 ( 12.022 0.000 9.574) 15.368 14.775 ( 2.749 0.000 3.443) 4.406 14.832 ( -2.839 0.000 3.200) 4.278 14.928 ( -7.675 0.000 6.707) 10.193 15.691 ( 2.187 0.000 -5.012) 5.469 15.718 ( -0.463 0.000 -3.605) 3.634 15.756 ( 1.579 0.000 2.447) 2.912 15.799 ( -2.837 0.000 1.965) 3.451 15.951 ( 8.312 0.000 -8.167) 11.653 16.120 ( -8.554 0.000 -10.695) 13.695 16.215 ( 4.088 0.000 -5.601) 6.934 16.281 ( -2.563 0.000 -6.170) 6.681 17.946 ( 7.799 0.000 -1.608) 7.963 18.094 ( -4.674 0.000 -0.040) 4.674 18.189 ( 11.844 0.000 -3.011) 12.221 18.488 ( -15.886 0.000 -6.205) 17.055 25.148 ( 0.499 0.000 4.674) 4.700 25.159 ( -0.631 0.000 4.685) 4.727 25.277 ( 1.143 0.000 1.150) 1.621 25.296 ( -0.790 0.000 0.908) 1.204 26.255 ( 0.368 0.000 8.514) 8.522 26.264 ( -0.461 0.000 8.952) 8.964 26.634 ( 12.906 0.000 -1.432) 12.986 26.715 ( 14.496 0.000 -5.472) 15.494 26.874 ( 3.339 0.000 -12.211) 12.659 26.918 ( -11.952 0.000 -2.583) 12.228 26.941 ( -3.324 0.000 -13.612) 14.012 27.041 ( -14.686 0.000 -8.035) 16.741 29.832 ( 3.624 0.000 12.610) 13.120 29.897 ( -2.362 0.000 13.349) 13.557 30.098 ( 10.674 0.000 6.571) 12.535 30.331 ( -12.148 0.000 1.004) 12.190 ======================= Grid point 145 (52/72) ======================= q-point: ( 0.00 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 0.000 6.489 38.811) 39.350 3.592 ( 0.000 11.851 33.669) 35.694 4.404 ( 0.000 -0.316 0.540) 0.626 4.495 ( 0.000 0.024 6.785) 6.785 4.540 ( 0.000 9.907 4.723) 10.975 4.715 ( 0.000 -6.702 13.366) 14.952 4.792 ( 0.000 4.801 -3.138) 5.735 4.843 ( 0.000 -9.853 1.052) 9.909 4.871 ( 0.000 3.461 0.792) 3.550 5.051 ( 0.000 -3.811 -3.942) 5.482 5.119 ( 0.000 -0.868 1.794) 1.993 5.155 ( 0.000 7.974 1.658) 8.145 5.468 ( 0.000 3.979 9.741) 10.523 5.548 ( 0.000 10.942 -3.459) 11.476 5.560 ( 0.000 1.866 -2.840) 3.398 5.789 ( 0.000 -0.993 6.737) 6.810 6.058 ( 0.000 -6.177 2.824) 6.792 6.149 ( 0.000 -0.103 17.446) 17.447 6.290 ( 0.000 -3.672 -2.694) 4.554 6.319 ( 0.000 -5.766 -1.994) 6.101 6.369 ( 0.000 0.598 -11.176) 11.192 6.501 ( 0.000 -4.525 -10.221) 11.178 6.541 ( 0.000 5.673 6.440) 8.582 6.612 ( 0.000 5.839 11.753) 13.124 6.718 ( 0.000 -7.429 -9.350) 11.942 6.794 ( 0.000 -9.995 -11.799) 15.463 6.805 ( 0.000 -3.837 5.067) 6.356 6.973 ( 0.000 7.224 -8.807) 11.391 7.092 ( 0.000 4.171 3.151) 5.227 7.158 ( 0.000 2.136 -13.421) 13.590 7.191 ( 0.000 1.638 2.070) 2.640 7.424 ( 0.000 12.006 -8.639) 14.791 7.635 ( 0.000 1.732 -7.664) 7.857 7.688 ( 0.000 -4.544 -10.206) 11.172 7.818 ( 0.000 -5.029 -0.969) 5.121 8.038 ( 0.000 10.814 -6.326) 12.529 8.130 ( 0.000 4.564 -6.191) 7.691 8.237 ( 0.000 -4.205 -1.497) 4.464 8.250 ( 0.000 -10.444 -2.050) 10.644 8.351 ( 0.000 -3.152 0.641) 3.217 8.463 ( 0.000 0.063 1.643) 1.644 8.634 ( 0.000 -2.296 4.119) 4.716 8.683 ( 0.000 9.494 -1.377) 9.593 8.787 ( 0.000 -4.774 -7.794) 9.140 8.904 ( 0.000 6.560 -3.586) 7.476 8.938 ( 0.000 -1.174 -1.386) 1.816 9.243 ( 0.000 9.255 -13.065) 16.011 9.428 ( 0.000 3.663 3.760) 5.250 9.656 ( 0.000 -8.983 -6.049) 10.830 9.907 ( 0.000 -7.620 11.167) 13.519 10.039 ( 0.000 -3.235 -1.053) 3.402 10.088 ( 0.000 -3.275 9.256) 9.819 10.232 ( 0.000 -5.548 -1.102) 5.656 10.258 ( 0.000 -4.015 -3.654) 5.429 10.439 ( 0.000 5.706 1.108) 5.812 10.444 ( 0.000 5.380 2.776) 6.054 10.499 ( 0.000 11.024 -5.397) 12.274 10.765 ( 0.000 -4.317 -2.529) 5.003 10.790 ( 0.000 0.656 0.654) 0.926 10.828 ( 0.000 -1.298 -2.174) 2.532 10.897 ( 0.000 -7.183 -2.160) 7.501 11.002 ( 0.000 -1.918 -5.640) 5.957 11.021 ( 0.000 -2.390 -4.230) 4.859 11.025 ( 0.000 -0.045 -5.931) 5.931 11.253 ( 0.000 -4.815 0.784) 4.878 11.428 ( 0.000 -4.398 -1.549) 4.663 11.440 ( 0.000 -2.914 -1.998) 3.533 11.669 ( 0.000 0.603 -7.463) 7.487 11.748 ( 0.000 3.350 -0.086) 3.351 11.934 ( 0.000 -4.288 0.538) 4.322 12.010 ( 0.000 7.269 -1.213) 7.369 12.021 ( 0.000 2.762 -0.515) 2.810 12.133 ( 0.000 3.003 -9.475) 9.939 12.440 ( 0.000 -5.681 -4.860) 7.477 12.506 ( 0.000 -10.656 -12.955) 16.775 12.523 ( 0.000 5.363 3.549) 6.431 12.882 ( 0.000 -1.699 -6.834) 7.042 12.925 ( 0.000 4.057 -1.698) 4.398 13.135 ( 0.000 6.261 -0.943) 6.332 13.169 ( 0.000 4.446 -8.723) 9.791 13.379 ( 0.000 -12.068 9.140) 15.139 13.630 ( 0.000 -6.259 4.866) 7.928 13.663 ( 0.000 -3.941 5.001) 6.368 14.111 ( 0.000 -15.394 -4.704) 16.097 14.161 ( 0.000 -7.062 7.257) 10.126 14.260 ( 0.000 -9.011 2.008) 9.232 14.423 ( 0.000 8.177 13.968) 16.185 14.519 ( 0.000 7.884 13.234) 15.404 14.679 ( 0.000 -2.572 8.944) 9.307 14.780 ( 0.000 20.932 9.450) 22.966 14.971 ( 0.000 2.120 8.587) 8.845 15.226 ( 0.000 16.910 -5.959) 17.930 15.594 ( 0.000 -3.389 -1.212) 3.599 15.711 ( 0.000 -1.088 -4.540) 4.668 15.717 ( 0.000 4.129 2.067) 4.618 15.796 ( 0.000 5.454 -0.448) 5.472 16.060 ( 0.000 11.576 -3.015) 11.962 16.071 ( 0.000 -0.073 -4.890) 4.890 16.308 ( 0.000 -1.311 -7.422) 7.537 16.337 ( 0.000 1.774 -10.724) 10.870 17.753 ( 0.000 -3.411 -6.122) 7.008 17.785 ( 0.000 -4.032 -3.775) 5.523 18.254 ( 0.000 -2.815 3.598) 4.568 18.747 ( 0.000 -11.725 -9.010) 14.787 25.145 ( 0.000 0.853 4.507) 4.587 25.184 ( 0.000 0.648 4.528) 4.574 25.238 ( 0.000 -0.556 1.596) 1.691 25.300 ( 0.000 -1.038 0.897) 1.372 26.284 ( 0.000 2.835 4.732) 5.516 26.327 ( 0.000 3.348 4.315) 5.461 26.340 ( 0.000 -0.248 -1.142) 1.169 26.375 ( 0.000 5.984 3.281) 6.824 26.767 ( 0.000 -3.317 -9.519) 10.080 26.989 ( 0.000 -2.869 -14.143) 14.431 27.222 ( 0.000 0.564 -3.437) 3.483 27.356 ( 0.000 -1.603 -8.626) 8.773 29.766 ( 0.000 1.848 10.861) 11.017 29.800 ( 0.000 0.224 10.807) 10.809 30.010 ( 0.000 0.772 14.765) 14.785 30.547 ( 0.000 -7.075 -4.125) 8.190 ======================= Grid point 146 (53/72) ======================= q-point: ( 0.20 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( 11.995 4.773 35.837) 38.091 3.684 ( 9.220 11.963 32.598) 35.928 4.359 ( -3.239 -0.342 0.855) 3.367 4.400 ( -9.846 2.003 13.229) 16.612 4.426 ( -9.917 9.794 11.591) 18.128 4.667 ( -4.314 -0.123 4.450) 6.199 4.814 ( -2.187 -12.544 4.065) 13.367 4.830 ( 3.235 0.149 -1.250) 3.471 4.967 ( 5.542 4.238 1.304) 7.098 5.003 ( -5.466 0.612 0.834) 5.563 5.069 ( -0.641 -2.422 2.928) 3.854 5.167 ( 0.662 4.014 -2.367) 4.707 5.485 ( -0.289 2.602 -2.651) 3.726 5.515 ( 3.844 9.041 -4.823) 10.945 5.666 ( 5.246 3.804 -0.293) 6.487 5.847 ( 4.505 -2.219 5.737) 7.624 6.081 ( -3.495 -0.528 0.073) 3.536 6.103 ( 3.207 -4.304 7.922) 9.569 6.240 ( -3.636 -2.879 -6.735) 8.178 6.328 ( -2.529 -3.162 0.337) 4.063 6.431 ( 2.792 0.969 -0.901) 3.090 6.445 ( -6.183 -6.381 1.410) 8.996 6.473 ( -3.269 3.947 -0.492) 5.149 6.589 ( 3.919 -4.119 -0.822) 5.744 6.672 ( -6.517 8.026 1.448) 10.440 6.837 ( 2.746 -0.277 -2.240) 3.555 6.875 ( 5.533 -11.826 -9.574) 16.190 6.992 ( 1.852 7.608 -2.472) 8.211 7.087 ( 0.890 2.169 -3.898) 4.549 7.237 ( 12.604 -1.877 -3.867) 13.317 7.298 ( 3.277 5.188 -2.468) 6.614 7.530 ( 7.481 5.860 -10.529) 14.183 7.567 ( -9.142 -2.587 -4.251) 10.408 7.635 ( -1.787 -0.662 -6.531) 6.803 7.824 ( 0.680 2.059 -2.747) 3.500 7.963 ( -6.422 7.336 -6.756) 11.861 8.040 ( -6.643 1.081 -2.717) 7.259 8.150 ( -5.431 -2.616 -1.862) 6.309 8.265 ( -2.659 -3.833 0.084) 4.666 8.302 ( -1.600 -7.395 -3.432) 8.308 8.487 ( 2.233 0.245 1.115) 2.508 8.520 ( -9.138 -5.156 -0.687) 10.515 8.627 ( -3.367 4.990 3.388) 6.907 8.770 ( 2.217 -0.055 -0.744) 2.339 8.929 ( 0.844 7.505 -4.335) 8.708 9.070 ( -0.322 13.413 -6.240) 14.797 9.151 ( -1.294 -0.479 -3.707) 3.956 9.603 ( 10.287 -4.031 1.189) 11.112 9.689 ( 7.031 -13.033 -8.917) 17.286 9.932 ( 1.842 -9.250 8.295) 12.560 10.090 ( 3.544 -4.164 6.625) 8.590 10.162 ( 1.604 -3.807 -2.332) 4.744 10.212 ( 2.080 -1.715 -1.356) 3.017 10.290 ( 3.912 -2.683 -2.773) 5.494 10.393 ( -2.509 6.519 4.387) 8.249 10.460 ( -0.843 6.409 -2.387) 6.891 10.491 ( 1.594 9.010 -3.204) 9.695 10.687 ( -3.576 -4.289 2.463) 6.103 10.785 ( -0.861 -0.693 -1.252) 1.670 10.794 ( -0.518 -1.663 0.349) 1.776 10.948 ( 0.764 0.806 -5.023) 5.145 10.986 ( -0.504 1.644 -4.660) 4.967 11.007 ( 0.246 -1.372 -5.430) 5.606 11.168 ( 9.745 -4.292 -7.161) 12.833 11.312 ( 4.539 -5.149 2.870) 7.440 11.411 ( -1.252 -2.713 -0.606) 3.049 11.466 ( 2.859 -3.165 -4.477) 6.183 11.667 ( -7.769 4.413 -2.749) 9.348 11.700 ( 0.839 3.147 -5.133) 6.079 11.949 ( 1.817 -3.684 -1.122) 4.258 12.041 ( -5.484 3.328 -9.953) 11.841 12.053 ( -1.317 1.413 -4.318) 4.730 12.089 ( 6.980 3.204 -0.618) 7.705 12.318 ( -9.494 -12.667 -8.503) 17.969 12.487 ( 2.400 -2.947 2.520) 4.560 12.573 ( 4.309 4.926 0.276) 6.550 12.914 ( 0.853 -5.116 -8.054) 9.580 12.929 ( 0.018 3.694 -3.647) 5.191 13.067 ( -6.887 2.104 -3.048) 7.820 13.146 ( -5.053 1.413 -1.145) 5.370 13.267 ( -4.159 0.772 1.722) 4.567 13.626 ( -2.030 -6.229 1.183) 6.657 13.746 ( 4.259 -10.686 6.163) 13.050 13.996 ( -7.113 -14.443 -2.272) 16.259 14.226 ( 2.021 -7.934 5.587) 9.912 14.272 ( 3.092 -2.410 5.856) 7.047 14.495 ( 3.437 -0.376 13.985) 14.406 14.509 ( 2.463 14.225 11.967) 18.752 14.622 ( -5.919 2.486 9.308) 11.307 14.771 ( 0.620 12.460 7.342) 14.475 14.969 ( -0.327 5.194 9.392) 10.737 15.201 ( -2.807 13.734 -3.229) 14.385 15.600 ( 1.008 -2.712 -2.093) 3.571 15.704 ( -1.366 3.751 0.959) 4.106 15.764 ( 4.540 -0.917 -4.772) 6.650 15.834 ( 3.496 5.523 -1.077) 6.625 16.008 ( -1.896 8.678 -3.183) 9.436 16.146 ( 3.928 2.850 -5.125) 7.059 16.270 ( -4.471 0.376 -10.453) 11.375 16.315 ( -1.394 0.445 -7.644) 7.783 17.791 ( 4.517 -3.079 -4.191) 6.888 17.882 ( 8.963 -4.456 -4.064) 10.803 18.207 ( -4.609 -2.794 3.091) 6.213 18.649 ( -9.595 -10.610 -7.519) 16.161 25.149 ( 0.346 0.895 4.447) 4.549 25.178 ( -0.499 0.725 4.421) 4.508 25.249 ( 0.939 -0.623 1.526) 1.897 25.297 ( -0.340 -1.021 0.924) 1.418 26.292 ( 0.571 3.967 5.974) 7.194 26.327 ( -0.238 5.074 7.008) 8.656 26.425 ( 7.925 0.170 -0.825) 7.969 26.465 ( 9.753 2.130 -2.386) 10.264 26.786 ( 1.953 -3.421 -9.800) 10.562 26.969 ( -2.002 -2.808 -13.771) 14.197 27.138 ( -8.324 0.642 -3.342) 8.993 27.266 ( -8.917 -1.439 -8.496) 12.401 29.788 ( 2.316 1.692 11.330) 11.687 29.863 ( 5.596 0.085 10.041) 11.496 29.997 ( -0.756 0.424 13.996) 14.022 30.473 ( -7.307 -6.285 -2.168) 9.879 ======================= Grid point 147 (54/72) ======================= q-point: ( 0.40 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.788 ( 17.141 3.019 29.650) 34.381 3.923 ( 14.052 10.261 28.199) 33.135 4.126 ( -16.145 5.742 22.675) 28.421 4.202 ( -13.233 5.421 19.568) 24.237 4.355 ( 3.212 2.086 2.587) 4.622 4.497 ( -10.390 3.052 4.164) 11.602 4.843 ( 4.456 -12.135 4.856) 13.809 4.885 ( 1.652 -4.080 3.684) 5.740 4.946 ( -1.132 0.614 -2.204) 2.552 4.983 ( -4.214 -0.560 -2.393) 4.878 5.082 ( 2.776 1.358 2.653) 4.073 5.138 ( -2.980 3.956 0.825) 5.021 5.559 ( 6.861 7.745 -10.961) 15.073 5.658 ( 4.682 6.630 -12.956) 15.288 5.711 ( 4.469 8.467 -5.300) 10.944 5.939 ( -0.795 -7.008 5.481) 8.932 5.955 ( -3.381 -2.712 -7.955) 9.059 6.107 ( -7.768 -8.286 5.117) 12.457 6.197 ( -2.422 1.597 -3.598) 4.622 6.220 ( -3.145 -2.549 -2.738) 4.887 6.399 ( 1.734 0.035 -4.363) 4.695 6.444 ( 7.404 1.369 10.766) 13.137 6.461 ( -1.202 1.983 0.017) 2.319 6.628 ( -1.446 -5.395 10.641) 12.018 6.714 ( 5.903 2.230 -3.140) 7.048 6.845 ( -3.990 1.019 -3.634) 5.492 6.959 ( 4.212 -4.846 -3.669) 7.395 7.034 ( 0.682 4.640 -1.886) 5.055 7.093 ( 0.427 7.684 -7.435) 10.701 7.174 ( -10.640 4.954 -1.090) 11.787 7.450 ( 6.935 -5.307 -3.794) 9.521 7.540 ( 1.388 -1.107 -2.779) 3.298 7.627 ( 6.813 0.668 -2.314) 7.226 7.687 ( 5.082 1.354 -13.254) 14.259 7.808 ( -1.826 0.593 -6.768) 7.036 7.846 ( -5.458 6.847 -3.187) 9.318 7.944 ( -1.160 -2.238 -3.141) 4.028 8.081 ( -12.139 -9.538 -4.675) 16.131 8.140 ( 4.122 -0.662 -2.406) 4.819 8.280 ( -6.313 -3.087 -6.511) 9.580 8.402 ( 3.161 -4.715 6.426) 8.574 8.515 ( -3.792 0.560 4.764) 6.114 8.627 ( 6.305 7.058 3.657) 10.146 8.793 ( -5.811 6.243 4.669) 9.723 8.889 ( -0.811 8.660 -6.932) 11.122 8.944 ( -3.837 12.819 -4.008) 13.968 9.313 ( 11.460 -9.393 0.045) 14.818 9.529 ( -9.506 -12.058 0.874) 15.379 9.947 ( 7.957 -10.150 -4.603) 13.694 9.978 ( 2.515 -11.767 -1.996) 12.197 10.115 ( -0.717 -8.119 2.412) 8.500 10.152 ( -2.161 -11.067 -3.995) 11.963 10.257 ( 3.347 5.849 -1.148) 6.837 10.337 ( -2.488 9.619 -1.067) 9.993 10.409 ( 3.016 2.691 -0.939) 4.149 10.459 ( -2.984 5.744 -0.636) 6.504 10.589 ( 16.469 3.819 4.977) 17.623 10.732 ( 4.302 -1.648 0.989) 4.711 10.756 ( -1.957 -3.504 0.705) 4.075 10.833 ( 4.251 2.875 -3.336) 6.121 10.897 ( -4.549 3.087 -1.922) 5.824 10.977 ( -2.908 -2.015 -6.242) 7.174 11.024 ( 2.177 2.709 -3.681) 5.063 11.164 ( -12.915 6.076 -0.954) 14.305 11.417 ( 7.134 -1.233 -3.928) 8.236 11.449 ( 5.870 -6.239 -5.717) 10.299 11.516 ( -4.081 -0.042 -3.358) 5.285 11.580 ( 7.927 2.324 -6.178) 10.315 11.650 ( -7.104 -0.534 -3.977) 8.159 11.774 ( -12.328 4.079 -14.117) 19.181 12.025 ( 4.076 -1.426 0.384) 4.335 12.098 ( -1.514 2.063 1.170) 2.814 12.218 ( 2.434 -7.777 -4.145) 9.143 12.220 ( 2.254 -10.028 -1.975) 10.466 12.588 ( 7.129 -4.558 2.763) 8.901 12.666 ( 3.361 1.179 -3.519) 5.007 12.858 ( -6.005 -0.505 -3.135) 6.793 12.896 ( -4.988 2.578 -3.972) 6.877 12.960 ( -0.026 -2.100 -1.797) 2.764 13.007 ( -5.141 3.100 0.507) 6.025 13.299 ( 5.918 2.865 -5.587) 8.628 13.480 ( -11.199 -3.835 -3.678) 12.395 13.818 ( 3.563 -13.199 2.814) 13.959 13.889 ( -4.046 -13.510 -0.100) 14.103 14.276 ( 3.451 -1.363 9.819) 10.497 14.325 ( 0.248 0.353 9.173) 9.183 14.464 ( -0.816 2.016 10.578) 10.799 14.506 ( -4.370 2.473 8.477) 9.853 14.677 ( 8.314 6.786 11.739) 15.906 14.778 ( -1.635 7.544 9.324) 12.104 14.989 ( 3.752 8.436 6.600) 11.349 15.107 ( -6.642 9.974 2.180) 12.180 15.630 ( 1.852 -1.233 -1.991) 2.986 15.669 ( -2.047 1.390 -0.761) 2.589 15.862 ( 4.337 3.660 -3.303) 6.566 15.894 ( 1.367 5.212 -2.626) 5.994 16.008 ( 3.097 6.947 -6.155) 9.784 16.129 ( -7.301 1.482 -10.221) 12.648 16.231 ( 2.782 1.493 -6.620) 7.334 16.282 ( -2.187 0.177 -6.618) 6.972 17.918 ( 7.943 -2.659 -1.380) 8.489 18.065 ( -3.029 -2.821 -0.477) 4.166 18.130 ( 9.281 -5.658 -1.874) 11.031 18.405 ( -14.550 -8.180 -4.849) 17.382 25.157 ( 0.496 0.938 4.354) 4.482 25.167 ( -0.560 0.875 4.337) 4.460 25.269 ( 1.050 -0.790 1.287) 1.839 25.287 ( -0.729 -0.944 1.048) 1.588 26.304 ( 0.670 4.816 6.798) 8.358 26.317 ( -0.678 5.356 7.351) 9.120 26.633 ( 12.587 -0.217 -1.408) 12.667 26.713 ( 13.728 -0.082 -5.574) 14.817 26.831 ( 1.723 -3.850 -9.012) 9.950 26.917 ( -3.415 -2.269 -12.445) 13.103 26.933 ( -9.898 0.885 -5.196) 11.214 27.032 ( -14.244 -0.910 -7.904) 16.316 29.847 ( 3.492 1.534 12.264) 12.843 29.909 ( -2.163 1.377 12.834) 13.088 30.075 ( 9.614 -2.341 7.243) 12.263 30.287 ( -11.067 -4.415 2.275) 12.131 ======================= Grid point 150 (55/72) ======================= q-point: ( 0.00 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( 0.000 13.860 34.031) 36.745 3.864 ( 0.000 15.067 29.332) 32.976 4.319 ( 0.000 -21.471 18.822) 28.553 4.347 ( 0.000 -6.110 11.788) 13.278 4.521 ( 0.000 2.292 6.062) 6.481 4.707 ( 0.000 -5.579 -1.816) 5.867 4.836 ( 0.000 2.366 -2.238) 3.257 4.887 ( 0.000 11.769 12.023) 16.825 4.982 ( 0.000 -2.803 -4.557) 5.350 4.991 ( 0.000 5.740 2.343) 6.200 5.185 ( 0.000 9.782 0.280) 9.786 5.346 ( 0.000 9.733 2.140) 9.966 5.527 ( 0.000 2.259 8.147) 8.454 5.617 ( 0.000 4.883 3.646) 6.094 5.762 ( 0.000 -2.809 -1.471) 3.171 5.785 ( 0.000 12.398 -5.394) 13.520 5.959 ( 0.000 -3.293 6.976) 7.714 6.161 ( 0.000 -0.143 3.383) 3.386 6.190 ( 0.000 -6.544 -4.984) 8.226 6.241 ( 0.000 -2.608 -8.465) 8.857 6.372 ( 0.000 -0.870 -9.693) 9.732 6.408 ( 0.000 -7.343 -8.059) 10.903 6.463 ( 0.000 -9.173 -7.967) 12.150 6.483 ( 0.000 -6.748 -7.571) 10.141 6.599 ( 0.000 -4.459 -3.649) 5.762 6.662 ( 0.000 -7.331 -7.523) 10.504 6.970 ( 0.000 14.649 17.180) 22.577 7.053 ( 0.000 2.782 1.141) 3.007 7.166 ( 0.000 2.388 -0.228) 2.399 7.276 ( 0.000 9.160 -9.140) 12.940 7.283 ( 0.000 5.365 -1.657) 5.615 7.503 ( 0.000 -11.485 -7.878) 13.927 7.538 ( 0.000 -2.596 -0.430) 2.631 7.693 ( 0.000 -0.156 -9.017) 9.019 7.825 ( 0.000 8.545 -0.209) 8.547 8.108 ( 0.000 -1.961 -0.876) 2.147 8.121 ( 0.000 -5.758 3.969) 6.993 8.190 ( 0.000 2.208 -2.108) 3.052 8.217 ( 0.000 4.546 -6.962) 8.315 8.330 ( 0.000 -0.303 -6.099) 6.107 8.472 ( 0.000 2.265 -5.312) 5.775 8.635 ( 0.000 1.342 -0.818) 1.571 8.682 ( 0.000 -5.333 -8.739) 10.238 8.814 ( 0.000 -2.947 0.540) 2.996 9.011 ( 0.000 14.843 2.385) 15.033 9.051 ( 0.000 8.457 0.591) 8.478 9.358 ( 0.000 -7.933 -3.557) 8.694 9.424 ( 0.000 9.629 -10.372) 14.152 9.656 ( 0.000 5.891 5.584) 8.116 9.704 ( 0.000 -13.950 11.132) 17.847 10.008 ( 0.000 -5.850 4.127) 7.160 10.018 ( 0.000 0.172 4.091) 4.095 10.107 ( 0.000 -4.369 0.150) 4.372 10.176 ( 0.000 -4.241 -6.054) 7.392 10.457 ( 0.000 -8.013 -1.034) 8.080 10.465 ( 0.000 -6.017 4.574) 7.559 10.587 ( 0.000 4.345 1.763) 4.690 10.671 ( 0.000 -1.478 -3.658) 3.946 10.763 ( 0.000 -2.606 -0.894) 2.755 10.793 ( 0.000 -2.882 -2.720) 3.963 10.879 ( 0.000 5.834 -3.908) 7.022 10.941 ( 0.000 -3.626 -4.551) 5.819 11.074 ( 0.000 6.097 -4.081) 7.337 11.081 ( 0.000 5.340 -5.012) 7.323 11.196 ( 0.000 -1.522 -4.995) 5.221 11.327 ( 0.000 -6.019 -0.462) 6.037 11.370 ( 0.000 -4.149 -2.819) 5.016 11.486 ( 0.000 -15.855 -8.197) 17.848 11.822 ( 0.000 4.008 1.242) 4.196 11.902 ( 0.000 0.196 0.427) 0.470 12.085 ( 0.000 3.853 -1.303) 4.068 12.178 ( 0.000 8.642 -8.657) 12.232 12.187 ( 0.000 0.852 -3.936) 4.027 12.318 ( 0.000 -2.416 -22.035) 22.167 12.461 ( 0.000 2.002 2.900) 3.524 12.600 ( 0.000 0.833 2.632) 2.761 12.889 ( 0.000 3.336 -8.045) 8.709 12.996 ( 0.000 2.301 -3.750) 4.399 13.187 ( 0.000 -3.725 3.553) 5.148 13.196 ( 0.000 -0.224 -2.820) 2.829 13.246 ( 0.000 1.527 2.256) 2.725 13.506 ( 0.000 -12.916 -0.309) 12.919 13.531 ( 0.000 -1.843 2.339) 2.978 13.788 ( 0.000 -13.646 -3.088) 13.991 14.097 ( 0.000 -0.526 7.021) 7.041 14.169 ( 0.000 -3.380 4.826) 5.892 14.506 ( 0.000 3.382 16.202) 16.551 14.631 ( 0.000 -2.634 14.234) 14.476 14.737 ( 0.000 10.807 9.861) 14.630 14.963 ( 0.000 -2.414 7.331) 7.718 15.145 ( 0.000 15.883 8.450) 17.991 15.423 ( 0.000 1.174 3.003) 3.224 15.599 ( 0.000 4.759 -5.532) 7.297 15.687 ( 0.000 -1.199 -4.536) 4.692 15.853 ( 0.000 8.646 -0.286) 8.651 15.944 ( 0.000 9.907 -2.638) 10.252 16.064 ( 0.000 -1.072 -3.930) 4.074 16.255 ( 0.000 -4.524 -5.734) 7.303 16.271 ( 0.000 9.379 -7.321) 11.898 16.380 ( 0.000 2.162 -11.106) 11.315 17.678 ( 0.000 -3.709 -4.647) 5.946 17.695 ( 0.000 -4.605 -2.936) 5.462 18.206 ( 0.000 -1.119 2.022) 2.311 18.478 ( 0.000 -14.639 -4.028) 15.183 25.168 ( 0.000 1.465 3.738) 4.015 25.204 ( 0.000 1.437 3.457) 3.744 25.222 ( 0.000 -1.108 2.079) 2.356 25.273 ( 0.000 -1.778 1.373) 2.246 26.317 ( 0.000 0.745 -0.171) 0.765 26.334 ( 0.000 -0.372 -1.023) 1.089 26.414 ( 0.000 6.320 2.212) 6.696 26.553 ( 0.000 10.880 0.191) 10.882 26.676 ( 0.000 -5.976 -6.414) 8.766 26.903 ( 0.000 -6.201 -11.071) 12.690 27.240 ( 0.000 1.314 -4.454) 4.644 27.316 ( 0.000 -2.354 -7.432) 7.796 29.802 ( 0.000 1.465 10.891) 10.989 29.807 ( 0.000 0.423 11.129) 11.137 30.053 ( 0.000 4.336 11.879) 12.646 30.374 ( 0.000 -10.347 1.086) 10.404 ======================= Grid point 151 (56/72) ======================= q-point: ( 0.20 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( 8.826 11.551 31.620) 34.802 3.946 ( 7.712 13.553 28.359) 32.364 4.259 ( -0.889 -11.425 15.514) 19.287 4.392 ( -2.049 -2.692 11.804) 12.279 4.540 ( 2.410 -5.467 12.672) 14.010 4.657 ( -12.927 4.101 13.602) 19.208 4.688 ( -3.633 1.235 -1.571) 4.146 4.871 ( -4.866 2.616 8.264) 9.941 4.948 ( -1.234 -0.807 -4.567) 4.799 5.040 ( 3.492 1.556 3.047) 4.889 5.144 ( -3.389 8.783 -1.143) 9.484 5.310 ( -2.149 7.975 -1.024) 8.323 5.518 ( -0.452 1.684 -2.132) 2.754 5.678 ( 5.447 5.306 -1.720) 7.796 5.718 ( 1.166 0.536 2.235) 2.577 5.855 ( 3.704 4.490 -4.384) 7.287 6.050 ( 2.627 -1.745 0.216) 3.162 6.071 ( -6.079 -1.015 -12.161) 13.633 6.165 ( -2.741 -3.229 -2.252) 4.797 6.275 ( -2.780 -0.975 -0.413) 2.975 6.312 ( 6.788 -5.839 -5.181) 10.345 6.442 ( 2.974 -1.877 -7.622) 8.395 6.481 ( -3.386 -1.822 -7.391) 8.331 6.535 ( 0.582 -1.876 -1.739) 2.623 6.605 ( 6.746 -11.214 -5.072) 14.035 6.717 ( 2.900 -4.209 -2.415) 5.653 6.978 ( -1.730 11.259 9.440) 14.795 7.107 ( 3.138 2.757 -5.026) 6.535 7.168 ( 1.468 6.507 -1.693) 6.882 7.257 ( 5.595 3.111 -1.573) 6.592 7.380 ( 3.205 2.108 -2.261) 4.452 7.429 ( -3.832 -7.643 1.556) 8.690 7.565 ( 2.367 -2.322 -6.791) 7.558 7.670 ( -2.214 1.339 -8.487) 8.873 7.883 ( -0.132 3.901 -2.944) 4.889 7.945 ( -8.466 -4.582 -1.623) 9.762 8.061 ( -6.540 0.090 -0.081) 6.541 8.131 ( -3.148 0.425 -0.259) 3.187 8.256 ( -0.006 0.396 -3.310) 3.334 8.282 ( -5.460 4.632 -3.310) 7.888 8.432 ( -13.303 -2.357 -0.584) 13.523 8.561 ( 6.082 7.232 -3.823) 10.193 8.724 ( 0.148 -0.798 5.609) 5.668 8.763 ( 7.119 -1.966 -5.418) 9.160 9.016 ( 0.151 7.543 3.180) 8.187 9.216 ( 0.694 9.753 -3.048) 10.242 9.373 ( -0.006 14.759 -5.744) 15.837 9.465 ( -6.913 -7.281 -0.966) 10.086 9.527 ( 8.771 -5.518 1.574) 10.481 9.710 ( -4.712 -12.174 3.924) 13.632 9.954 ( -4.629 -14.699 2.278) 15.578 9.978 ( -2.401 -10.683 -0.395) 10.957 10.179 ( 5.626 -0.376 -1.255) 5.776 10.284 ( 9.640 -1.002 -1.814) 9.860 10.415 ( 5.857 -0.188 6.094) 8.454 10.556 ( 0.177 4.138 -0.636) 4.190 10.643 ( 4.533 7.067 -0.915) 8.445 10.677 ( 0.912 -1.709 -1.318) 2.343 10.722 ( -1.715 -3.665 -1.923) 4.480 10.786 ( -2.722 -0.788 -3.439) 4.456 10.942 ( 1.656 -1.607 -3.985) 4.605 10.974 ( 6.310 -1.236 -0.755) 6.474 11.062 ( -1.739 6.147 -3.992) 7.533 11.135 ( 7.109 3.586 -5.523) 9.690 11.247 ( 1.686 -2.698 -2.252) 3.898 11.347 ( 0.592 -3.620 -1.975) 4.166 11.370 ( 4.225 -6.436 -3.390) 8.412 11.579 ( 7.865 -13.425 -5.453) 16.487 11.781 ( -4.867 4.952 -3.692) 7.864 11.876 ( -3.151 -2.447 -0.604) 4.035 12.088 ( -2.581 3.758 -5.607) 7.227 12.137 ( -7.917 6.032 -9.228) 13.573 12.153 ( 0.633 2.133 -3.433) 4.091 12.247 ( -2.270 3.233 -12.175) 12.800 12.449 ( -0.027 -0.148 2.663) 2.667 12.612 ( 0.636 -2.311 -0.566) 2.463 12.872 ( -1.626 1.461 -7.943) 8.238 12.980 ( -2.290 0.676 -2.593) 3.525 13.042 ( -8.037 -1.228 -1.972) 8.366 13.163 ( -7.222 -1.392 0.161) 7.357 13.292 ( 3.891 1.197 0.098) 4.073 13.511 ( -0.089 -10.924 0.745) 10.950 13.539 ( 0.499 -2.862 2.202) 3.645 13.746 ( -3.441 -10.433 -1.808) 11.134 14.152 ( 4.969 -0.653 7.435) 8.967 14.219 ( 4.890 -2.938 5.434) 7.879 14.510 ( -0.922 1.889 15.290) 15.434 14.598 ( -3.992 -2.034 13.599) 14.318 14.760 ( 3.368 10.698 9.988) 15.019 14.960 ( 0.943 0.294 5.617) 5.703 15.105 ( -3.482 12.246 10.628) 16.584 15.349 ( -6.560 0.696 3.351) 7.399 15.630 ( 2.764 5.329 -4.861) 7.725 15.736 ( 4.663 -0.896 -3.761) 6.057 15.864 ( -1.163 9.895 -2.348) 10.236 15.942 ( 1.607 5.310 -1.705) 5.804 16.099 ( 2.743 2.244 -4.424) 5.668 16.232 ( -2.080 -2.247 -7.080) 7.714 16.275 ( 0.006 6.277 -7.903) 10.093 16.349 ( -2.879 2.332 -10.472) 11.108 17.726 ( 5.253 -2.961 -3.039) 6.753 17.780 ( 7.906 -5.453 -2.802) 10.004 18.159 ( -4.677 -1.230 1.829) 5.170 18.404 ( -7.250 -13.336 -3.292) 15.533 25.172 ( 0.434 1.529 3.662) 3.992 25.199 ( -0.353 1.456 3.403) 3.718 25.231 ( 0.767 -1.161 2.010) 2.445 25.270 ( -0.289 -1.752 1.404) 2.264 26.371 ( 4.244 2.953 1.066) 5.279 26.411 ( 5.704 1.346 0.326) 5.870 26.435 ( 3.887 3.984 1.067) 5.667 26.571 ( 2.905 8.556 -2.036) 9.262 26.694 ( 1.731 -6.063 -6.454) 9.023 26.886 ( -1.661 -5.916 -10.927) 12.536 27.157 ( -8.181 1.354 -4.545) 9.456 27.230 ( -8.539 -2.164 -7.454) 11.539 29.824 ( 2.465 1.741 11.176) 11.577 29.863 ( 5.158 -0.269 10.251) 11.479 30.031 ( -2.056 3.763 11.856) 12.607 30.318 ( -5.465 -9.233 2.360) 10.986 ======================= Grid point 152 (57/72) ======================= q-point: ( 0.40 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.892 ( 15.530 7.694 26.525) 31.685 4.121 ( 9.261 7.186 23.129) 25.930 4.212 ( -14.807 4.519 19.496) 24.895 4.290 ( -2.457 -0.042 16.203) 16.388 4.420 ( -2.049 4.866 18.021) 18.778 4.569 ( -9.481 3.959 9.774) 14.181 4.627 ( 5.095 -8.622 10.869) 14.780 4.733 ( -6.104 -7.537 11.541) 15.075 4.986 ( 3.450 4.089 -5.161) 7.433 5.061 ( -3.964 6.166 -3.709) 8.215 5.126 ( 4.463 1.406 0.483) 4.704 5.228 ( -5.584 3.474 -0.407) 6.590 5.613 ( 9.173 0.969 -12.133) 15.241 5.722 ( 0.519 -3.614 -7.389) 8.242 5.824 ( 1.617 -5.225 -0.129) 5.471 5.876 ( -4.674 -5.783 -9.926) 12.402 5.928 ( -0.495 10.010 -12.109) 15.719 6.000 ( -0.319 5.481 -3.082) 6.296 6.223 ( -3.707 1.992 -1.614) 4.507 6.241 ( -0.622 2.756 -8.667) 9.116 6.395 ( 3.238 -0.958 -0.618) 3.433 6.448 ( 5.488 -0.579 -4.896) 7.378 6.508 ( 1.413 -2.507 -5.798) 6.473 6.527 ( -4.402 0.148 -0.458) 4.429 6.703 ( 7.762 -4.210 -0.348) 8.837 6.852 ( 9.906 -6.015 1.683) 11.711 6.891 ( -7.359 3.595 2.347) 8.519 7.065 ( -9.018 -3.003 1.355) 9.601 7.251 ( 3.124 8.406 -2.303) 9.258 7.275 ( -2.132 5.683 -0.620) 6.101 7.412 ( 8.686 2.136 -1.622) 9.090 7.560 ( -3.459 2.630 -1.190) 4.505 7.612 ( 11.111 -3.700 0.426) 11.718 7.652 ( 3.247 -3.392 -9.766) 10.836 7.714 ( -6.681 -5.096 -7.942) 11.562 7.861 ( -7.692 -6.548 -3.870) 10.818 7.972 ( -3.927 2.834 -0.803) 4.909 8.023 ( -9.931 2.990 -2.225) 10.608 8.108 ( -0.457 -2.552 -1.656) 3.076 8.195 ( -8.174 -5.322 -3.328) 10.306 8.418 ( 12.085 7.596 6.698) 15.767 8.634 ( -4.805 11.692 5.757) 13.889 8.832 ( 8.575 11.836 4.271) 15.227 8.887 ( 6.740 -1.805 0.971) 7.045 9.028 ( -4.291 4.098 3.326) 6.803 9.124 ( -0.624 6.266 -3.192) 7.060 9.220 ( -8.202 -3.433 3.283) 9.478 9.344 ( -7.567 3.335 -7.413) 11.105 9.686 ( 2.600 -15.267 -2.574) 15.699 9.735 ( 2.834 -13.426 -3.101) 14.068 9.841 ( 1.531 -16.759 -5.200) 17.613 9.942 ( -4.121 -11.371 -1.515) 12.189 10.360 ( 10.103 5.071 1.541) 11.408 10.470 ( 6.774 3.447 0.493) 7.616 10.522 ( -4.639 7.702 -0.540) 9.007 10.561 ( 0.954 2.666 4.022) 4.919 10.589 ( 3.704 0.268 0.769) 3.792 10.693 ( -2.777 -2.256 -0.193) 3.583 10.757 ( 5.076 -1.289 -0.612) 5.273 10.856 ( 7.134 -1.422 -5.226) 8.957 10.926 ( -3.196 -1.272 -2.932) 4.519 10.988 ( -4.971 5.893 -3.621) 8.517 11.069 ( 4.164 0.219 -1.676) 4.494 11.185 ( -6.404 -4.339 0.423) 7.747 11.356 ( 11.441 1.141 -6.920) 13.420 11.403 ( 6.339 -0.741 -2.255) 6.769 11.499 ( 1.370 -3.445 -1.312) 3.933 11.579 ( -6.462 -1.679 -3.518) 7.547 11.681 ( -2.081 5.259 -11.373) 12.701 11.871 ( -12.892 4.504 -5.630) 14.771 11.924 ( 10.133 -9.632 -7.225) 15.737 12.081 ( -2.920 0.891 -5.466) 6.261 12.176 ( 0.453 5.520 -1.613) 5.769 12.209 ( -2.606 3.670 -5.519) 7.122 12.497 ( 4.692 -5.284 -0.717) 7.102 12.589 ( -3.414 -8.046 -4.527) 9.843 12.864 ( 1.331 -0.022 -4.871) 5.050 12.890 ( -3.276 0.528 0.128) 3.321 12.952 ( -2.338 -1.071 -6.104) 6.624 13.005 ( -7.449 -3.297 -1.143) 8.226 13.363 ( 3.946 3.568 -0.307) 5.328 13.451 ( -4.707 1.792 -1.465) 5.245 13.594 ( 4.029 -9.493 2.682) 10.656 13.673 ( -3.967 -8.911 0.450) 9.765 14.271 ( 6.812 0.890 9.500) 11.724 14.327 ( 4.653 -0.539 7.932) 9.212 14.444 ( -4.586 -0.892 11.188) 12.125 14.486 ( -6.267 -1.996 9.689) 11.711 14.873 ( 7.107 9.558 11.521) 16.571 14.989 ( -2.952 9.996 9.234) 13.925 15.062 ( 3.748 0.454 8.563) 9.359 15.200 ( -8.192 0.120 4.872) 9.532 15.697 ( 4.068 6.808 -3.024) 8.488 15.778 ( -3.412 7.781 -0.407) 8.506 15.877 ( 5.672 -0.390 -6.095) 8.335 15.964 ( -1.449 1.011 -2.099) 2.743 16.148 ( 2.090 6.202 -6.397) 9.152 16.186 ( -2.123 3.591 -10.120) 10.946 16.270 ( -0.105 2.557 -8.635) 9.007 16.291 ( -2.338 0.871 -8.235) 8.605 17.866 ( 8.462 -2.014 -0.798) 8.735 17.977 ( 10.871 -6.789 -1.984) 12.970 18.035 ( -6.964 -2.102 1.064) 7.351 18.215 ( -11.578 -10.383 -2.060) 15.687 25.182 ( 0.521 1.635 3.528) 3.923 25.192 ( -0.437 1.619 3.437) 3.824 25.248 ( 0.823 -1.439 1.749) 2.410 25.262 ( -0.586 -1.654 1.522) 2.323 26.424 ( 1.660 7.329 2.926) 8.065 26.446 ( -0.290 7.445 3.455) 8.212 26.618 ( 10.789 -1.628 -1.256) 10.983 26.704 ( 5.485 -2.746 -5.315) 8.116 26.751 ( 7.637 -2.404 -6.338) 10.211 26.853 ( -0.623 -4.124 -10.604) 11.395 26.953 ( -11.237 1.179 -5.721) 12.665 27.008 ( -13.322 -1.487 -7.391) 15.307 29.888 ( 3.798 2.590 11.435) 12.324 29.953 ( -1.178 3.099 10.881) 11.375 30.019 ( 5.849 -2.940 9.074) 11.189 30.178 ( -8.435 -6.545 5.310) 11.924 ======================= Grid point 155 (58/72) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.883 ( 0.000 -18.672 27.560) 33.289 3.883 ( 0.000 18.672 27.560) 33.289 4.168 ( 0.000 -11.489 22.655) 25.401 4.168 ( 0.000 11.489 22.655) 25.401 4.593 ( 0.000 -5.319 2.769) 5.997 4.593 ( 0.000 5.319 2.769) 5.997 4.899 ( 0.000 -3.695 -0.814) 3.784 4.899 ( 0.000 3.695 -0.814) 3.784 5.033 ( 0.000 -1.752 2.604) 3.138 5.033 ( 0.000 1.752 2.604) 3.138 5.409 ( 0.000 -5.926 5.442) 8.046 5.409 ( 0.000 5.926 5.442) 8.046 5.598 ( 0.000 -7.849 1.701) 8.031 5.598 ( 0.000 7.849 1.701) 8.031 5.801 ( 0.000 -8.458 -0.082) 8.459 5.801 ( 0.000 8.458 -0.082) 8.459 6.060 ( 0.000 -8.491 -1.387) 8.603 6.060 ( 0.000 8.491 -1.387) 8.603 6.170 ( 0.000 -3.496 -13.040) 13.501 6.170 ( 0.000 3.496 -13.040) 13.501 6.305 ( 0.000 -0.522 -2.998) 3.043 6.305 ( 0.000 0.522 -2.998) 3.043 6.460 ( 0.000 -4.912 -4.789) 6.861 6.460 ( 0.000 4.912 -4.789) 6.861 6.526 ( 0.000 -4.919 -8.418) 9.750 6.526 ( 0.000 4.919 -8.418) 9.750 7.133 ( 0.000 -3.835 -0.301) 3.847 7.133 ( 0.000 3.835 -0.301) 3.847 7.252 ( 0.000 -11.934 6.459) 13.570 7.252 ( 0.000 11.934 6.459) 13.570 7.361 ( 0.000 -0.860 -7.872) 7.919 7.361 ( 0.000 0.860 -7.872) 7.918 7.580 ( 0.000 -9.350 -0.510) 9.364 7.580 ( 0.000 9.350 -0.510) 9.364 8.009 ( 0.000 -7.771 0.730) 7.805 8.009 ( 0.000 7.771 0.730) 7.805 8.153 ( 0.000 -4.338 1.522) 4.598 8.153 ( 0.000 4.338 1.522) 4.598 8.300 ( 0.000 -3.514 -9.185) 9.834 8.300 ( 0.000 3.514 -9.185) 9.834 8.547 ( 0.000 -5.778 -8.155) 9.995 8.547 ( 0.000 5.778 -8.155) 9.995 8.717 ( 0.000 -4.832 -2.082) 5.261 8.717 ( 0.000 4.832 -2.082) 5.261 9.210 ( 0.000 -7.749 0.525) 7.766 9.210 ( 0.000 7.749 0.524) 7.766 9.361 ( 0.000 -18.870 6.689) 20.021 9.361 ( 0.000 18.870 6.689) 20.021 9.634 ( 0.000 -9.233 -3.086) 9.735 9.634 ( 0.000 9.233 -3.086) 9.735 9.982 ( 0.000 -4.208 5.243) 6.722 9.982 ( 0.000 4.208 5.243) 6.722 10.116 ( 0.000 -2.981 -0.069) 2.982 10.116 ( 0.000 2.981 -0.069) 2.982 10.341 ( 0.000 -1.222 1.820) 2.192 10.341 ( 0.000 1.222 1.820) 2.192 10.668 ( 0.000 -2.260 -2.793) 3.593 10.668 ( 0.000 2.260 -2.793) 3.593 10.753 ( 0.000 -1.172 -2.654) 2.901 10.753 ( 0.000 1.172 -2.654) 2.901 10.908 ( 0.000 -0.866 -3.856) 3.952 10.908 ( 0.000 0.866 -3.856) 3.952 11.175 ( 0.000 -1.931 -5.025) 5.384 11.175 ( 0.000 1.931 -5.025) 5.384 11.207 ( 0.000 -7.063 -2.904) 7.637 11.207 ( 0.000 7.063 -2.904) 7.637 11.303 ( 0.000 -0.195 -4.835) 4.839 11.303 ( 0.000 0.195 -4.835) 4.839 11.884 ( 0.000 -2.222 0.548) 2.289 11.884 ( 0.000 2.222 0.548) 2.289 12.155 ( 0.000 -3.186 -3.138) 4.472 12.155 ( 0.000 3.186 -3.138) 4.472 12.292 ( 0.000 -2.856 -13.466) 13.765 12.292 ( 0.000 2.856 -13.466) 13.765 12.543 ( 0.000 -5.325 0.528) 5.351 12.543 ( 0.000 5.325 0.528) 5.351 12.977 ( 0.000 -3.994 -7.223) 8.254 12.977 ( 0.000 3.994 -7.223) 8.254 13.217 ( 0.000 -1.539 3.117) 3.476 13.217 ( 0.000 1.539 3.117) 3.476 13.254 ( 0.000 -9.379 -0.639) 9.401 13.254 ( 0.000 9.379 -0.639) 9.401 13.596 ( 0.000 -7.346 -0.852) 7.395 13.596 ( 0.000 7.346 -0.852) 7.395 14.116 ( 0.000 -2.080 6.188) 6.528 14.116 ( 0.000 2.080 6.188) 6.528 14.573 ( 0.000 -3.473 16.210) 16.578 14.573 ( 0.000 3.473 16.210) 16.578 14.890 ( 0.000 -5.502 8.214) 9.887 14.890 ( 0.000 5.502 8.214) 9.887 15.359 ( 0.000 -6.858 6.434) 9.404 15.359 ( 0.000 6.858 6.434) 9.404 15.665 ( 0.000 -1.618 -4.707) 4.977 15.665 ( 0.000 1.618 -4.707) 4.977 16.004 ( 0.000 -5.882 -3.616) 6.905 16.004 ( 0.000 5.882 -3.616) 6.905 16.130 ( 0.000 -8.585 -3.947) 9.449 16.130 ( 0.000 8.585 -3.947) 9.449 16.386 ( 0.000 -2.408 -9.828) 10.118 16.386 ( 0.000 2.408 -9.828) 10.118 17.641 ( 0.000 -0.457 -3.036) 3.070 17.641 ( 0.000 0.457 -3.036) 3.070 18.257 ( 0.000 -7.316 -0.297) 7.322 18.257 ( 0.000 7.316 -0.297) 7.322 25.197 ( 0.000 -1.513 2.840) 3.218 25.197 ( 0.000 1.513 2.840) 3.218 25.237 ( 0.000 -1.925 2.266) 2.973 25.237 ( 0.000 1.925 2.266) 2.973 26.327 ( 0.000 -0.422 -0.825) 0.927 26.327 ( 0.000 0.422 -0.825) 0.927 26.548 ( 0.000 -7.236 -2.052) 7.521 26.548 ( 0.000 7.236 -2.052) 7.521 26.753 ( 0.000 -9.511 -6.118) 11.309 26.753 ( 0.000 9.511 -6.118) 11.309 27.273 ( 0.000 -2.093 -5.901) 6.261 27.273 ( 0.000 2.093 -5.901) 6.261 29.813 ( 0.000 -0.104 11.309) 11.309 29.813 ( 0.000 0.104 11.309) 11.309 30.183 ( 0.000 -9.000 6.808) 11.285 30.183 ( 0.000 9.000 6.808) 11.285 ======================= Grid point 157 (59/72) ======================= q-point: ( 0.20 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( 4.121 -15.284 25.619) 30.115 3.916 ( 4.121 15.284 25.619) 30.115 4.247 ( 6.807 -10.682 21.981) 25.369 4.247 ( 6.807 10.682 21.981) 25.369 4.564 ( -3.801 -5.165 7.340) 9.747 4.564 ( -3.801 5.165 7.340) 9.747 4.811 ( -8.820 -5.342 6.488) 12.183 4.811 ( -8.820 5.342 6.488) 12.183 5.028 ( 0.731 -3.329 0.520) 3.448 5.028 ( 0.731 3.329 0.520) 3.448 5.327 ( -5.909 -7.004 1.608) 9.304 5.327 ( -5.909 7.004 1.608) 9.304 5.599 ( 0.724 -7.533 -2.156) 7.869 5.599 ( 0.724 7.533 -2.156) 7.869 5.832 ( 1.041 -6.945 -3.019) 7.644 5.832 ( 1.041 6.945 -3.019) 7.644 6.069 ( -3.511 -0.229 -18.317) 18.652 6.069 ( -3.511 0.229 -18.317) 18.652 6.193 ( 7.534 -5.870 1.357) 9.647 6.193 ( 7.534 5.870 1.357) 9.647 6.319 ( 3.112 -5.546 -1.401) 6.512 6.319 ( 3.112 5.546 -1.401) 6.512 6.468 ( -0.190 -1.255 -7.861) 7.963 6.468 ( -0.190 1.255 -7.861) 7.963 6.607 ( 5.225 -5.706 -2.476) 8.124 6.607 ( 5.225 5.706 -2.476) 8.124 7.133 ( -2.335 -4.312 0.563) 4.936 7.133 ( -2.335 4.312 0.563) 4.936 7.251 ( 1.454 -5.068 1.934) 5.616 7.251 ( 1.454 5.068 1.934) 5.616 7.361 ( 2.599 -4.769 -5.141) 7.479 7.361 ( 2.599 4.769 -5.141) 7.479 7.613 ( 2.081 -6.811 -1.744) 7.332 7.613 ( 2.081 6.811 -1.744) 7.332 7.916 ( -9.026 -1.459 -2.626) 9.513 7.916 ( -9.026 1.459 -2.626) 9.513 8.097 ( -4.229 -3.096 2.386) 5.759 8.097 ( -4.229 3.096 2.386) 5.759 8.298 ( -3.492 -3.130 -4.301) 6.363 8.298 ( -3.492 3.130 -4.301) 6.363 8.523 ( -5.587 -11.165 -1.735) 12.605 8.523 ( -5.587 11.165 -1.735) 12.605 8.717 ( 10.948 -4.183 -3.332) 12.185 8.717 ( 10.948 4.183 -3.332) 12.185 9.284 ( -5.235 -15.513 8.727) 18.553 9.284 ( -5.235 15.513 8.727) 18.553 9.385 ( 7.692 -4.734 -3.114) 9.554 9.385 ( 7.692 4.734 -3.114) 9.554 9.603 ( -5.102 -6.493 -4.263) 9.293 9.603 ( -5.102 6.493 -4.263) 9.293 9.766 ( -11.111 -9.046 2.746) 14.588 9.766 ( -11.111 9.046 2.746) 14.588 10.215 ( 10.477 -3.895 -0.808) 11.206 10.215 ( 10.477 3.895 -0.808) 11.206 10.500 ( 8.315 -7.084 2.513) 11.209 10.500 ( 8.315 7.084 2.513) 11.209 10.681 ( -0.996 -1.959 -3.168) 3.856 10.681 ( -0.996 1.959 -3.168) 3.856 10.749 ( 1.307 -3.031 -2.210) 3.972 10.749 ( 1.307 3.031 -2.210) 3.972 10.935 ( 2.189 -2.809 -2.231) 4.202 10.935 ( 2.189 2.809 -2.231) 4.202 11.173 ( -2.428 -3.986 -4.597) 6.551 11.173 ( -2.428 3.986 -4.597) 6.551 11.259 ( 6.830 -4.489 -2.813) 8.643 11.259 ( 6.830 4.489 -2.813) 8.643 11.354 ( 6.260 -7.639 -3.672) 10.537 11.354 ( 6.260 7.639 -3.672) 10.537 11.842 ( -4.987 -1.826 -2.724) 5.969 11.842 ( -4.987 1.826 -2.724) 5.969 12.152 ( -1.434 -1.867 -3.762) 4.438 12.152 ( -1.434 1.867 -3.762) 4.438 12.253 ( -1.830 -3.799 -10.931) 11.716 12.253 ( -1.830 3.799 -10.931) 11.716 12.513 ( -3.272 -6.124 -0.974) 7.011 12.513 ( -3.272 6.124 -0.974) 7.011 12.941 ( -3.319 -4.337 -6.614) 8.577 12.941 ( -3.319 4.337 -6.614) 8.577 13.082 ( -8.608 -5.338 -0.832) 10.162 13.082 ( -8.608 5.338 -0.832) 10.162 13.341 ( 5.140 -5.413 3.036) 8.058 13.341 ( 5.140 5.413 3.036) 8.058 13.591 ( -1.185 -6.156 -0.832) 6.324 13.591 ( -1.185 6.156 -0.832) 6.324 14.170 ( 5.240 -2.016 6.484) 8.577 14.170 ( 5.240 2.016 6.484) 8.577 14.554 ( -2.718 -2.525 15.433) 15.873 14.554 ( -2.718 2.525 15.433) 15.873 14.907 ( 2.568 -5.047 7.834) 9.666 14.907 ( 2.568 5.047 7.834) 9.666 15.289 ( -6.209 -6.291 7.015) 11.285 15.289 ( -6.209 6.291 7.015) 11.285 15.711 ( 4.213 -2.397 -4.423) 6.562 15.711 ( 4.213 2.397 -4.423) 6.562 15.997 ( -1.630 -1.745 -1.827) 3.006 15.997 ( -1.630 1.745 -1.827) 3.006 16.149 ( 2.436 -4.279 -6.413) 8.085 16.149 ( 2.436 4.279 -6.413) 8.085 16.365 ( -2.238 -1.630 -9.947) 10.325 16.365 ( -2.238 1.630 -9.947) 10.325 17.708 ( 6.486 -1.491 -2.155) 6.996 17.708 ( 6.486 1.491 -2.155) 6.996 18.203 ( -5.357 -6.626 -0.087) 8.521 18.203 ( -5.357 6.626 -0.087) 8.521 25.203 ( 0.547 -1.538 2.737) 3.187 25.203 ( 0.547 1.538 2.737) 3.187 25.234 ( -0.242 -1.873 2.293) 2.971 25.234 ( -0.242 1.873 2.293) 2.971 26.403 ( 7.259 -0.975 -0.778) 7.365 26.403 ( 7.259 0.975 -0.778) 7.365 26.562 ( 1.353 -7.319 -1.885) 7.677 26.562 ( 1.353 7.319 -1.885) 7.677 26.745 ( -0.465 -8.671 -6.549) 10.876 26.745 ( -0.465 8.671 -6.549) 10.876 27.189 ( -8.237 -2.010 -6.026) 10.402 27.189 ( -8.237 2.010 -6.026) 10.402 29.850 ( 3.607 -1.038 11.002) 11.625 29.850 ( 3.607 1.038 11.002) 11.625 30.147 ( -3.500 -8.066 7.396) 11.489 30.147 ( -3.500 8.066 7.396) 11.489 ======================= Grid point 159 (60/72) ======================= q-point: ( 0.40 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( 10.909 -9.256 21.937) 26.190 4.063 ( 10.909 9.256 21.937) 26.190 4.292 ( -8.629 -2.467 17.718) 19.862 4.292 ( -8.629 2.467 17.718) 19.862 4.499 ( 3.942 -5.418 18.340) 19.525 4.499 ( 3.942 5.418 18.340) 19.525 4.638 ( -7.968 -3.317 13.894) 16.356 4.638 ( -7.968 3.317 13.894) 16.356 5.084 ( 4.903 -4.542 -2.323) 7.075 5.084 ( 4.903 4.542 -2.323) 7.075 5.204 ( -6.789 -5.935 -1.538) 9.147 5.204 ( -6.789 5.935 -1.538) 9.147 5.650 ( 4.710 -3.306 -8.587) 10.337 5.650 ( 4.710 3.306 -8.587) 10.337 5.768 ( -6.544 -3.296 -9.342) 11.873 5.768 ( -6.544 3.296 -9.342) 11.873 6.091 ( 6.701 -2.345 -12.917) 14.739 6.091 ( 6.701 2.345 -12.917) 14.739 6.261 ( -8.279 -1.704 -8.781) 12.188 6.261 ( -8.279 1.704 -8.781) 12.188 6.393 ( 9.109 -2.620 -2.953) 9.928 6.393 ( 9.109 2.620 -2.953) 9.928 6.504 ( 0.603 -4.090 -4.255) 5.932 6.504 ( 0.603 4.090 -4.255) 5.932 6.715 ( 9.447 -6.834 3.341) 12.129 6.715 ( 9.447 6.834 3.341) 12.129 6.973 ( -13.031 -4.996 5.005) 14.826 6.973 ( -13.031 4.996 5.005) 14.826 7.360 ( 8.816 -2.108 -4.818) 10.265 7.360 ( 8.816 2.108 -4.818) 10.265 7.479 ( 3.854 -6.806 0.265) 7.826 7.479 ( 3.854 6.806 0.265) 7.826 7.612 ( -0.487 -3.146 -4.561) 5.562 7.612 ( -0.487 3.146 -4.561) 5.562 7.730 ( -7.977 -6.237 -2.215) 10.365 7.730 ( -7.977 6.237 -2.215) 10.365 8.022 ( -1.437 -3.021 -0.322) 3.361 8.022 ( -1.437 3.021 -0.322) 3.361 8.111 ( -10.168 -3.302 -3.072) 11.123 8.111 ( -10.168 3.302 -3.072) 11.123 8.646 ( 14.172 -14.405 7.837) 21.674 8.646 ( 14.172 14.405 7.837) 21.674 8.899 ( -2.312 -10.658 8.731) 13.970 8.899 ( -2.312 10.658 8.731) 13.970 9.115 ( -0.218 -7.486 -2.422) 7.871 9.115 ( -0.218 7.486 -2.422) 7.871 9.328 ( -14.282 -15.071 -3.467) 21.050 9.328 ( -14.282 15.071 -3.467) 21.050 9.588 ( 7.583 -8.036 -4.206) 11.823 9.588 ( 7.583 8.036 -4.206) 11.823 9.694 ( -2.765 -13.140 -4.408) 14.133 9.694 ( -2.765 13.140 -4.408) 14.133 10.456 ( 11.930 -4.439 1.676) 12.839 10.456 ( 11.930 4.439 1.676) 12.839 10.606 ( -1.230 -1.946 0.245) 2.315 10.606 ( -1.230 1.946 0.245) 2.315 10.635 ( 2.021 -3.949 -0.405) 4.454 10.635 ( 2.021 3.949 -0.405) 4.455 10.740 ( -4.229 -6.372 -2.111) 7.933 10.740 ( -4.229 6.372 -2.111) 7.933 10.999 ( 4.794 -5.448 -1.482) 7.407 10.999 ( 4.794 5.448 -1.482) 7.407 11.100 ( -4.870 -4.437 -2.088) 6.911 11.100 ( -4.870 4.437 -2.088) 6.911 11.401 ( 7.588 -0.552 -5.636) 9.468 11.401 ( 7.588 0.552 -5.636) 9.468 11.506 ( 1.999 -5.830 0.229) 6.168 11.506 ( 1.999 5.830 0.229) 6.168 11.768 ( 4.548 -4.850 -9.293) 11.427 11.768 ( 4.548 4.850 -9.293) 11.427 12.006 ( -12.966 -7.349 -5.949) 16.047 12.006 ( -12.966 7.349 -5.949) 16.047 12.306 ( 5.802 -3.606 -5.686) 8.888 12.306 ( 5.802 3.606 -5.686) 8.888 12.423 ( -5.588 -4.793 -4.451) 8.603 12.423 ( -5.588 4.793 -4.451) 8.603 12.890 ( -0.594 -2.939 -3.680) 4.747 12.890 ( -0.594 2.939 -3.680) 4.747 12.939 ( -5.396 -2.780 -2.254) 6.475 12.939 ( -5.396 2.780 -2.254) 6.475 13.445 ( 5.331 -5.232 1.986) 7.728 13.445 ( 5.331 5.232 1.986) 7.728 13.538 ( -4.051 -5.363 0.279) 6.727 13.538 ( -4.051 5.363 0.279) 6.727 14.301 ( 7.757 -1.861 8.066) 11.345 14.301 ( 7.757 1.861 8.066) 11.345 14.452 ( -7.233 -1.390 11.596) 13.738 14.452 ( -7.233 1.390 11.596) 13.738 15.004 ( 6.878 -4.362 8.535) 11.798 15.004 ( 6.878 4.362 8.535) 11.798 15.150 ( -7.652 -4.991 8.290) 12.336 15.150 ( -7.652 4.991 8.290) 12.336 15.814 ( 6.005 -4.258 -3.305) 8.070 15.814 ( 6.005 4.258 -3.305) 8.070 15.927 ( -5.166 -4.650 -1.698) 7.155 15.927 ( -5.166 4.650 -1.698) 7.155 16.220 ( 4.312 -1.087 -8.753) 9.818 16.220 ( 4.312 1.087 -8.753) 9.818 16.303 ( -3.952 -0.475 -9.777) 10.556 16.303 ( -3.952 0.475 -9.777) 10.556 17.872 ( 9.707 -3.108 -0.646) 10.212 17.872 ( 9.707 3.108 -0.646) 10.212 18.060 ( -9.011 -4.970 0.061) 10.291 18.060 ( -9.011 4.970 0.061) 10.291 25.215 ( 0.671 -1.620 2.539) 3.085 25.215 ( 0.671 1.620 2.539) 3.085 25.227 ( -0.496 -1.751 2.381) 2.997 25.227 ( -0.496 1.751 2.381) 2.997 26.552 ( 5.544 -4.245 -0.456) 6.997 26.552 ( 5.544 4.245 -0.456) 6.997 26.590 ( 0.810 -6.292 -0.955) 6.416 26.590 ( 0.810 6.292 -0.955) 6.416 26.776 ( 5.948 -3.376 -7.833) 10.398 26.776 ( 5.948 3.376 -7.833) 10.398 26.979 ( -12.335 -1.513 -6.553) 14.049 26.979 ( -12.335 1.513 -6.553) 14.049 29.943 ( 5.643 -3.105 10.104) 11.983 29.943 ( 5.643 3.105 10.104) 11.983 30.056 ( -5.591 -5.756 8.748) 11.871 30.056 ( -5.591 5.756 8.748) 11.871 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.060 ( 0.000 0.000 37.064) 37.064 4.070 ( 0.000 0.000 26.214) 26.214 4.354 ( 0.000 0.000 -0.204) 0.204 4.432 ( 0.000 0.000 -2.940) 2.940 4.503 ( 0.000 0.000 -14.461) 14.461 4.712 ( 0.000 0.000 -29.592) 29.592 4.790 ( 0.000 0.000 16.360) 16.360 4.853 ( 0.000 0.000 3.976) 3.976 4.861 ( 0.000 0.000 1.084) 1.084 5.034 ( 0.000 0.000 -1.510) 1.510 5.061 ( 0.000 0.000 -9.485) 9.485 5.067 ( 0.000 0.000 -3.116) 3.116 5.444 ( 0.000 0.000 8.046) 8.046 5.509 ( 0.000 0.000 1.215) 1.215 5.716 ( 0.000 0.000 13.667) 13.667 5.886 ( 0.000 0.000 -2.453) 2.453 6.106 ( 0.000 0.000 1.509) 1.509 6.162 ( 0.000 0.000 -4.936) 4.936 6.214 ( 0.000 0.000 -8.921) 8.921 6.273 ( 0.000 0.000 -15.333) 15.333 6.474 ( 0.000 0.000 1.100) 1.100 6.502 ( 0.000 0.000 -3.884) 3.884 6.559 ( 0.000 0.000 8.052) 8.052 6.565 ( 0.000 0.000 8.191) 8.191 6.717 ( 0.000 0.000 0.160) 0.160 6.722 ( 0.000 0.000 0.244) 0.244 6.850 ( 0.000 0.000 -8.818) 8.818 6.907 ( 0.000 0.000 -13.975) 13.975 7.045 ( 0.000 0.000 9.595) 9.595 7.148 ( 0.000 0.000 -1.597) 1.597 7.243 ( 0.000 0.000 10.171) 10.171 7.250 ( 0.000 0.000 15.776) 15.776 7.436 ( 0.000 0.000 -9.687) 9.687 7.546 ( 0.000 0.000 -13.306) 13.306 7.809 ( 0.000 0.000 -1.835) 1.835 7.812 ( 0.000 0.000 -2.570) 2.570 8.056 ( 0.000 0.000 3.353) 3.353 8.164 ( 0.000 0.000 -6.893) 6.893 8.422 ( 0.000 0.000 4.889) 4.889 8.505 ( 0.000 0.000 2.960) 2.960 8.539 ( 0.000 0.000 5.252) 5.252 8.625 ( 0.000 0.000 3.375) 3.375 8.660 ( 0.000 0.000 -7.632) 7.632 8.711 ( 0.000 0.000 -5.388) 5.388 8.784 ( 0.000 0.000 7.863) 7.863 8.905 ( 0.000 0.000 -2.377) 2.377 8.987 ( 0.000 0.000 2.196) 2.196 9.284 ( 0.000 0.000 -19.615) 19.615 9.764 ( 0.000 0.000 10.526) 10.526 9.980 ( 0.000 0.000 -8.555) 8.555 10.226 ( 0.000 0.000 2.062) 2.062 10.228 ( 0.000 0.000 1.409) 1.409 10.250 ( 0.000 0.000 -1.972) 1.972 10.252 ( 0.000 0.000 -1.479) 1.479 10.331 ( 0.000 0.000 14.608) 14.608 10.422 ( 0.000 0.000 3.945) 3.945 10.446 ( 0.000 0.000 1.857) 1.857 10.640 ( 0.000 0.000 -13.371) 13.371 10.773 ( 0.000 0.000 -1.108) 1.108 10.791 ( 0.000 0.000 -2.054) 2.054 10.881 ( 0.000 0.000 0.042) 0.042 10.923 ( 0.000 0.000 -3.634) 3.634 10.988 ( 0.000 0.000 -1.489) 1.489 11.008 ( 0.000 0.000 -2.770) 2.770 11.424 ( 0.000 0.000 -0.795) 0.795 11.433 ( 0.000 0.000 -1.490) 1.490 11.436 ( 0.000 0.000 5.222) 5.222 11.530 ( 0.000 0.000 -4.487) 4.487 11.706 ( 0.000 0.000 2.544) 2.544 11.842 ( 0.000 0.000 -11.587) 11.587 11.981 ( 0.000 0.000 0.544) 0.544 11.991 ( 0.000 0.000 -0.390) 0.390 12.116 ( 0.000 0.000 12.234) 12.234 12.384 ( 0.000 0.000 -15.312) 15.312 12.556 ( 0.000 0.000 7.087) 7.087 12.594 ( 0.000 0.000 7.007) 7.007 12.726 ( 0.000 0.000 -9.950) 9.950 12.750 ( 0.000 0.000 -8.920) 8.920 13.004 ( 0.000 0.000 0.105) 0.105 13.025 ( 0.000 0.000 -1.628) 1.628 13.760 ( 0.000 0.000 4.878) 4.878 13.775 ( 0.000 0.000 1.777) 1.777 13.812 ( 0.000 0.000 12.751) 12.751 14.099 ( 0.000 0.000 -13.719) 13.719 14.413 ( 0.000 0.000 1.534) 1.534 14.422 ( 0.000 0.000 -0.033) 0.033 14.519 ( 0.000 0.000 11.519) 11.519 14.667 ( 0.000 0.000 11.843) 11.843 14.691 ( 0.000 0.000 -5.622) 5.622 14.766 ( 0.000 0.000 13.701) 13.701 14.853 ( 0.000 0.000 -6.729) 6.729 14.978 ( 0.000 0.000 -6.997) 6.997 15.607 ( 0.000 0.000 1.003) 1.003 15.649 ( 0.000 0.000 -3.104) 3.104 15.818 ( 0.000 0.000 6.083) 6.083 15.820 ( 0.000 0.000 10.354) 10.354 15.948 ( 0.000 0.000 -6.963) 6.963 16.009 ( 0.000 0.000 7.709) 7.709 16.066 ( 0.000 0.000 -13.646) 13.646 16.174 ( 0.000 0.000 -8.742) 8.742 17.721 ( 0.000 0.000 -0.587) 0.587 17.750 ( 0.000 0.000 -3.216) 3.216 18.420 ( 0.000 0.000 9.558) 9.558 18.634 ( 0.000 0.000 -12.138) 12.138 25.212 ( 0.000 0.000 2.943) 2.943 25.249 ( 0.000 0.000 -0.871) 0.871 25.258 ( 0.000 0.000 3.314) 3.314 25.304 ( 0.000 0.000 -1.399) 1.399 26.329 ( 0.000 0.000 -0.312) 0.312 26.329 ( 0.000 0.000 -0.330) 0.330 26.410 ( 0.000 0.000 9.051) 9.051 26.484 ( 0.000 0.000 12.033) 12.033 26.596 ( 0.000 0.000 -10.214) 10.214 26.734 ( 0.000 0.000 -13.915) 13.915 27.190 ( 0.000 0.000 0.439) 0.439 27.239 ( 0.000 0.000 -4.684) 4.684 29.905 ( 0.000 0.000 4.999) 4.999 29.928 ( 0.000 0.000 2.741) 2.741 30.271 ( 0.000 0.000 12.124) 12.124 30.472 ( 0.000 0.000 -8.899) 8.899 ======================= Grid point 176 (62/72) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.120 ( 4.216 0.000 22.890) 23.275 4.161 ( 9.697 0.000 35.016) 36.334 4.310 ( -3.443 0.000 -0.584) 3.492 4.380 ( -3.563 0.000 0.731) 3.637 4.556 ( 4.842 0.000 -12.145) 13.075 4.699 ( -2.338 0.000 -1.641) 2.857 4.811 ( -1.710 0.000 4.337) 4.662 4.867 ( 8.022 0.000 -7.951) 11.294 4.898 ( -0.297 0.000 -3.718) 3.729 5.020 ( 0.192 0.000 5.731) 5.735 5.068 ( 0.890 0.000 -8.474) 8.520 5.113 ( 2.321 0.000 -0.723) 2.431 5.286 ( -8.983 0.000 4.788) 10.179 5.488 ( -6.627 0.000 -9.846) 11.869 5.616 ( -8.084 0.000 10.760) 13.458 5.846 ( -6.468 0.000 -11.943) 13.582 6.108 ( 0.855 0.000 3.145) 3.259 6.144 ( 0.905 0.000 1.954) 2.154 6.177 ( -1.803 0.000 -4.615) 4.954 6.286 ( -2.126 0.000 -8.833) 9.086 6.478 ( -1.027 0.000 2.540) 2.739 6.509 ( 2.687 0.000 0.940) 2.847 6.566 ( 4.559 0.000 6.509) 7.946 6.652 ( 5.366 0.000 -1.669) 5.620 6.704 ( -1.932 0.000 4.371) 4.779 6.777 ( 3.847 0.000 -3.529) 5.221 6.851 ( 0.288 0.000 -4.906) 4.914 6.935 ( 1.400 0.000 -11.737) 11.820 7.007 ( -2.724 0.000 13.135) 13.414 7.153 ( -1.430 0.000 -4.130) 4.370 7.300 ( 5.535 0.000 5.731) 7.968 7.356 ( 11.006 0.000 7.730) 13.449 7.478 ( -5.174 0.000 -9.302) 10.644 7.514 ( 7.179 0.000 -8.104) 10.827 7.729 ( -6.070 0.000 -1.658) 6.292 7.757 ( -5.844 0.000 -4.272) 7.239 8.024 ( -2.852 0.000 3.652) 4.633 8.143 ( -2.603 0.000 -7.939) 8.355 8.278 ( -9.685 0.000 7.433) 12.208 8.445 ( -9.003 0.000 -9.065) 12.776 8.502 ( -2.765 0.000 4.261) 5.079 8.573 ( -2.691 0.000 -0.327) 2.711 8.665 ( -1.274 0.000 -3.237) 3.478 8.708 ( -1.427 0.000 -4.861) 5.066 8.829 ( 8.219 0.000 22.246) 23.716 9.002 ( 5.866 0.000 9.189) 10.902 9.144 ( 13.076 0.000 -1.620) 13.176 9.426 ( 14.982 0.000 -25.037) 29.177 9.786 ( 0.477 0.000 9.878) 9.890 10.042 ( 3.606 0.000 -12.955) 13.447 10.187 ( -3.435 0.000 1.689) 3.828 10.201 ( -3.312 0.000 2.741) 4.300 10.217 ( -3.144 0.000 -1.538) 3.500 10.253 ( 0.025 0.000 -2.462) 2.462 10.379 ( -3.203 0.000 3.416) 4.683 10.401 ( -3.616 0.000 1.413) 3.882 10.422 ( 10.038 0.000 12.911) 16.354 10.677 ( 4.028 0.000 -9.457) 10.279 10.778 ( 0.628 0.000 -0.024) 0.628 10.800 ( 0.434 0.000 -1.287) 1.359 10.896 ( 1.346 0.000 -0.455) 1.421 10.930 ( 0.562 0.000 -3.331) 3.378 10.948 ( -2.906 0.000 0.715) 2.993 11.018 ( 0.301 0.000 -8.135) 8.140 11.423 ( -1.064 0.000 -0.366) 1.125 11.432 ( 0.282 0.000 -0.875) 0.919 11.499 ( 5.372 0.000 5.052) 7.374 11.577 ( -11.876 0.000 1.986) 12.041 11.582 ( 4.004 0.000 -3.538) 5.343 11.714 ( -12.353 0.000 -11.965) 17.198 12.007 ( 2.743 0.000 1.035) 2.932 12.028 ( 3.619 0.000 -0.927) 3.735 12.197 ( 7.645 0.000 9.487) 12.184 12.385 ( 1.134 0.000 -9.183) 9.253 12.541 ( -1.297 0.000 5.767) 5.911 12.625 ( 3.783 0.000 7.791) 8.661 12.698 ( -2.972 0.000 -10.073) 10.502 12.818 ( 6.429 0.000 -12.051) 13.659 12.977 ( -2.246 0.000 0.574) 2.318 13.001 ( -2.215 0.000 -1.592) 2.728 13.484 ( -16.543 0.000 11.265) 20.014 13.660 ( -10.856 0.000 -5.764) 12.292 14.003 ( 5.919 0.000 5.166) 7.857 14.109 ( -1.700 0.000 -6.363) 6.586 14.414 ( 2.216 0.000 2.761) 3.540 14.420 ( 1.245 0.000 1.670) 2.083 14.535 ( 1.508 0.000 11.347) 11.447 14.649 ( -1.437 0.000 9.981) 10.084 14.713 ( 1.811 0.000 -3.899) 4.299 14.788 ( 2.710 0.000 12.390) 12.683 14.839 ( -1.388 0.000 -6.438) 6.586 14.984 ( 0.936 0.000 -6.576) 6.642 15.627 ( 1.863 0.000 1.849) 2.625 15.684 ( 2.438 0.000 -3.241) 4.056 15.806 ( -1.029 0.000 7.390) 7.461 15.821 ( 0.286 0.000 5.641) 5.648 15.905 ( -2.774 0.000 -0.471) 2.814 16.021 ( -4.406 0.000 -12.853) 13.587 16.058 ( 3.357 0.000 0.898) 3.475 16.171 ( -0.387 0.000 -7.973) 7.982 17.789 ( 6.895 0.000 0.858) 6.948 17.841 ( 8.733 0.000 -4.034) 9.619 18.359 ( -6.005 0.000 8.727) 10.594 18.554 ( -7.936 0.000 -10.899) 13.482 25.214 ( 0.217 0.000 2.867) 2.875 25.240 ( -0.609 0.000 1.242) 1.384 25.268 ( 0.742 0.000 1.076) 1.307 25.302 ( -0.240 0.000 -1.286) 1.308 26.410 ( 8.028 0.000 -0.195) 8.031 26.417 ( 0.656 0.000 9.352) 9.375 26.417 ( 8.708 0.000 -0.974) 8.762 26.476 ( -0.745 0.000 11.729) 11.753 26.610 ( 1.323 0.000 -10.547) 10.630 26.721 ( -1.305 0.000 -13.564) 13.626 27.106 ( -8.271 0.000 0.394) 8.280 27.152 ( -8.576 0.000 -4.439) 9.657 29.940 ( 3.416 0.000 5.648) 6.601 29.978 ( 4.731 0.000 1.901) 5.099 30.243 ( -2.664 0.000 11.199) 11.512 30.424 ( -4.813 0.000 -7.559) 8.961 ======================= Grid point 177 (63/72) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.174 ( 1.432 0.000 8.011) 8.138 4.226 ( -4.306 0.000 0.288) 4.316 4.392 ( 12.589 0.000 28.847) 31.474 4.428 ( 8.798 0.000 14.197) 16.702 4.601 ( -8.079 0.000 17.410) 19.193 4.603 ( -4.721 0.000 4.978) 6.861 4.787 ( 1.980 0.000 -2.914) 3.523 4.855 ( -3.029 0.000 -4.252) 5.221 5.040 ( 1.958 0.000 7.411) 7.665 5.044 ( 7.553 0.000 -13.486) 15.457 5.095 ( 1.216 0.000 -8.438) 8.525 5.099 ( -3.288 0.000 5.677) 6.560 5.221 ( 1.927 0.000 -10.533) 10.708 5.317 ( -8.171 0.000 -14.249) 16.426 5.498 ( -0.860 0.000 0.209) 0.885 5.638 ( -12.364 0.000 -14.773) 19.264 6.143 ( 1.905 0.000 1.999) 2.762 6.163 ( -0.327 0.000 -0.682) 0.757 6.178 ( 2.037 0.000 1.174) 2.351 6.226 ( -3.041 0.000 -2.906) 4.207 6.489 ( 2.960 0.000 7.901) 8.437 6.595 ( -3.284 0.000 3.203) 4.587 6.623 ( 5.150 0.000 5.200) 7.319 6.673 ( 5.862 0.000 3.233) 6.694 6.746 ( 0.646 0.000 -3.735) 3.790 6.802 ( -5.280 0.000 -8.853) 10.308 6.862 ( 2.683 0.000 -2.614) 3.746 6.930 ( -2.275 0.000 -8.734) 9.026 6.989 ( 1.429 0.000 9.258) 9.368 7.059 ( -4.962 0.000 0.931) 5.048 7.425 ( 5.156 0.000 -4.102) 6.589 7.443 ( 1.538 0.000 -4.137) 4.413 7.597 ( 10.610 0.000 2.221) 10.840 7.613 ( -4.364 0.000 -1.397) 4.583 7.636 ( -5.666 0.000 -4.237) 7.075 7.654 ( 4.861 0.000 -2.937) 5.679 7.973 ( -0.773 0.000 0.641) 1.004 8.050 ( -6.540 0.000 -6.920) 9.522 8.157 ( -1.001 0.000 3.623) 3.758 8.246 ( -9.043 0.000 -5.584) 10.629 8.484 ( 1.639 0.000 3.998) 4.321 8.537 ( -1.979 0.000 1.226) 2.328 8.618 ( -1.810 0.000 -4.394) 4.752 8.649 ( -3.712 0.000 -4.903) 6.149 9.006 ( 7.667 0.000 23.721) 24.929 9.078 ( 0.658 0.000 17.280) 17.292 9.442 ( 16.160 0.000 2.014) 16.285 9.665 ( -2.237 0.000 -8.415) 8.707 9.820 ( 9.993 0.000 -8.462) 13.094 10.003 ( -7.128 0.000 -13.524) 15.288 10.134 ( -1.117 0.000 0.470) 1.212 10.153 ( -2.699 0.000 -1.368) 3.026 10.169 ( 1.282 0.000 -3.168) 3.418 10.232 ( -3.022 0.000 -7.149) 7.761 10.333 ( -1.039 0.000 2.745) 2.935 10.343 ( -1.931 0.000 1.805) 2.643 10.670 ( 13.570 0.000 8.219) 15.865 10.776 ( 3.712 0.000 -1.933) 4.185 10.792 ( 0.687 0.000 0.420) 0.805 10.802 ( -0.251 0.000 -0.153) 0.294 10.902 ( -0.680 0.000 2.592) 2.679 10.923 ( 1.188 0.000 -1.364) 1.809 10.936 ( -0.107 0.000 -2.454) 2.457 11.001 ( -5.016 0.000 -6.536) 8.239 11.290 ( -5.527 0.000 -1.898) 5.844 11.403 ( -9.455 0.000 -10.448) 14.091 11.450 ( 0.288 0.000 0.088) 0.301 11.478 ( -4.898 0.000 -3.848) 6.229 11.597 ( 3.819 0.000 3.138) 4.943 11.631 ( 0.419 0.000 -0.353) 0.548 12.078 ( 3.687 0.000 1.925) 4.160 12.101 ( 2.193 0.000 0.004) 2.193 12.347 ( 5.880 0.000 3.557) 6.873 12.403 ( -0.355 0.000 -1.937) 1.969 12.532 ( 1.505 0.000 -0.169) 1.515 12.611 ( -5.478 0.000 -7.826) 9.553 12.784 ( 13.071 0.000 9.408) 16.104 12.943 ( -0.721 0.000 0.300) 0.781 12.956 ( -1.865 0.000 -1.008) 2.120 12.988 ( 6.821 0.000 -8.750) 11.094 13.165 ( -11.005 0.000 7.542) 13.342 13.372 ( -17.385 0.000 -10.780) 20.456 14.032 ( -0.403 0.000 0.955) 1.036 14.051 ( -2.559 0.000 -1.316) 2.877 14.462 ( 2.677 0.000 5.543) 6.155 14.480 ( 1.429 0.000 4.155) 4.394 14.573 ( 2.208 0.000 10.960) 11.180 14.615 ( -2.046 0.000 10.479) 10.677 14.755 ( 2.410 0.000 -4.767) 5.342 14.802 ( -2.273 0.000 -5.706) 6.142 14.890 ( 6.970 0.000 7.429) 10.187 14.988 ( -1.944 0.000 -1.633) 2.539 15.667 ( 2.049 0.000 2.355) 3.122 15.701 ( -1.005 0.000 1.353) 1.685 15.816 ( 2.903 0.000 -3.958) 4.908 15.832 ( 0.920 0.000 4.464) 4.558 15.859 ( -1.889 0.000 2.631) 3.239 15.911 ( -6.148 0.000 -10.330) 12.021 16.117 ( 2.594 0.000 -3.047) 4.002 16.156 ( -1.329 0.000 -5.938) 6.085 17.968 ( 10.573 0.000 3.401) 11.106 18.054 ( 10.726 0.000 -4.664) 11.696 18.208 ( -7.549 0.000 5.500) 9.340 18.346 ( -12.666 0.000 -7.960) 14.959 25.220 ( 0.369 0.000 2.599) 2.625 25.228 ( -0.539 0.000 2.125) 2.192 25.283 ( 0.715 0.000 -0.096) 0.722 25.295 ( -0.470 0.000 -0.860) 0.980 26.434 ( 1.106 0.000 10.109) 10.169 26.457 ( -1.157 0.000 11.002) 11.063 26.619 ( 12.619 0.000 0.057) 12.619 26.641 ( 13.245 0.000 -2.318) 13.446 26.644 ( 2.116 0.000 -11.477) 11.671 26.687 ( -2.109 0.000 -12.637) 12.812 26.894 ( -12.546 0.000 0.189) 12.547 26.930 ( -13.363 0.000 -3.677) 13.860 30.025 ( 4.763 0.000 6.934) 8.412 30.074 ( 2.486 0.000 3.170) 4.029 30.197 ( 0.391 0.000 5.438) 5.452 30.300 ( -7.261 0.000 -3.984) 8.283 ======================= Grid point 180 (64/72) ======================= q-point: ( 0.00 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.083 ( 0.000 2.826 34.694) 34.809 4.155 ( 0.000 8.182 24.048) 25.402 4.437 ( 0.000 7.629 1.816) 7.842 4.524 ( 0.000 8.396 -3.313) 9.025 4.527 ( 0.000 2.201 -8.170) 8.461 4.694 ( 0.000 -0.748 -25.297) 25.308 4.779 ( 0.000 -0.907 3.799) 3.906 4.833 ( 0.000 -9.282 -1.594) 9.418 4.925 ( 0.000 6.182 6.763) 9.162 4.961 ( 0.000 6.853 5.503) 8.789 5.152 ( 0.000 8.603 -2.249) 8.892 5.187 ( 0.000 3.841 -1.812) 4.247 5.452 ( 0.000 2.430 1.204) 2.712 5.515 ( 0.000 0.710 -1.377) 1.549 5.686 ( 0.000 -2.989 11.295) 11.684 5.861 ( 0.000 -2.671 -3.047) 4.052 6.122 ( 0.000 -1.298 -6.240) 6.373 6.127 ( 0.000 -7.447 -9.368) 11.968 6.135 ( 0.000 -0.021 5.590) 5.590 6.298 ( 0.000 -4.970 -2.682) 5.647 6.327 ( 0.000 -3.452 -4.386) 5.582 6.393 ( 0.000 -7.965 -0.094) 7.966 6.549 ( 0.000 -2.007 -0.968) 2.228 6.593 ( 0.000 -9.989 -4.094) 10.796 6.617 ( 0.000 -6.884 1.280) 7.002 6.647 ( 0.000 -2.103 -2.784) 3.489 6.871 ( 0.000 6.557 -1.650) 6.761 6.925 ( 0.000 4.490 -7.954) 9.134 7.168 ( 0.000 4.532 11.391) 12.260 7.229 ( 0.000 0.109 10.918) 10.919 7.230 ( 0.000 4.199 0.990) 4.314 7.377 ( 0.000 11.687 3.086) 12.088 7.448 ( 0.000 -0.417 -10.727) 10.735 7.511 ( 0.000 -1.329 -9.063) 9.160 7.845 ( 0.000 4.193 3.325) 5.352 7.925 ( 0.000 10.444 -5.084) 11.616 8.084 ( 0.000 1.712 1.204) 2.093 8.145 ( 0.000 -1.595 -4.658) 4.924 8.312 ( 0.000 -10.888 6.287) 12.573 8.379 ( 0.000 -4.388 -0.423) 4.409 8.523 ( 0.000 -2.342 4.227) 4.832 8.623 ( 0.000 -4.081 -6.111) 7.348 8.692 ( 0.000 7.671 3.683) 8.509 8.754 ( 0.000 -3.323 3.232) 4.635 8.883 ( 0.000 10.397 4.118) 11.183 8.937 ( 0.000 2.755 0.766) 2.859 9.033 ( 0.000 6.290 -6.043) 8.722 9.243 ( 0.000 -4.011 -19.905) 20.305 9.751 ( 0.000 1.539 12.055) 12.153 9.952 ( 0.000 -0.315 -6.819) 6.826 10.167 ( 0.000 -9.023 -1.850) 9.210 10.170 ( 0.000 -5.964 -1.310) 6.106 10.205 ( 0.000 -3.958 11.789) 12.436 10.266 ( 0.000 -3.418 4.315) 5.505 10.430 ( 0.000 10.247 -1.144) 10.311 10.453 ( 0.000 6.066 -0.455) 6.083 10.518 ( 0.000 4.253 4.695) 6.335 10.657 ( 0.000 0.103 -8.797) 8.797 10.795 ( 0.000 0.925 -0.045) 0.927 10.795 ( 0.000 1.038 -0.104) 1.043 10.892 ( 0.000 -5.576 0.475) 5.596 10.899 ( 0.000 -5.533 -4.051) 6.857 10.914 ( 0.000 -0.467 -3.898) 3.925 10.940 ( 0.000 0.440 -3.260) 3.289 11.327 ( 0.000 -7.415 4.866) 8.869 11.393 ( 0.000 -4.049 -2.391) 4.702 11.436 ( 0.000 -3.856 2.782) 4.755 11.539 ( 0.000 -2.805 -6.229) 6.831 11.755 ( 0.000 4.704 2.014) 5.118 11.885 ( 0.000 4.552 -11.349) 12.228 11.964 ( 0.000 -2.719 0.554) 2.775 11.988 ( 0.000 -0.408 -1.261) 1.325 12.058 ( 0.000 -1.282 4.583) 4.759 12.191 ( 0.000 -10.845 -9.533) 14.439 12.564 ( 0.000 -1.894 6.391) 6.665 12.633 ( 0.000 5.774 6.879) 8.981 12.723 ( 0.000 -2.247 -7.564) 7.890 12.818 ( 0.000 4.963 -8.891) 10.182 13.083 ( 0.000 6.334 -0.397) 6.346 13.104 ( 0.000 6.952 -1.848) 7.193 13.584 ( 0.000 -15.508 10.577) 18.772 13.699 ( 0.000 -8.832 -1.345) 8.934 13.734 ( 0.000 -6.530 6.497) 9.211 13.924 ( 0.000 -14.351 -12.082) 18.760 14.275 ( 0.000 -6.471 4.094) 7.658 14.306 ( 0.000 -5.714 0.980) 5.798 14.660 ( 0.000 10.769 9.650) 14.459 14.761 ( 0.000 2.870 11.984) 12.322 14.762 ( 0.000 5.173 -0.622) 5.211 14.971 ( 0.000 19.263 9.622) 21.533 14.976 ( 0.000 1.117 -8.718) 8.789 15.113 ( 0.000 17.895 -4.815) 18.532 15.602 ( 0.000 -0.740 1.157) 1.374 15.640 ( 0.000 -0.961 -2.881) 3.037 15.829 ( 0.000 2.184 8.133) 8.421 15.857 ( 0.000 3.509 7.482) 8.264 15.959 ( 0.000 0.984 -6.399) 6.474 16.064 ( 0.000 4.985 3.677) 6.195 16.084 ( 0.000 2.024 -13.280) 13.433 16.180 ( 0.000 0.370 -7.363) 7.372 17.692 ( 0.000 -2.742 -0.489) 2.785 17.718 ( 0.000 -3.107 -2.801) 4.183 18.371 ( 0.000 -4.712 8.275) 9.522 18.555 ( 0.000 -7.732 -10.327) 12.901 25.215 ( 0.000 0.301 2.686) 2.703 25.247 ( 0.000 -0.175 -0.656) 0.679 25.256 ( 0.000 -0.135 2.980) 2.983 25.297 ( 0.000 -0.686 -1.196) 1.379 26.323 ( 0.000 -0.456 0.181) 0.491 26.326 ( 0.000 -0.233 -0.364) 0.432 26.430 ( 0.000 1.864 7.318) 7.552 26.519 ( 0.000 3.466 9.826) 10.419 26.588 ( 0.000 -0.877 -8.874) 8.917 26.733 ( 0.000 -0.199 -12.299) 12.301 27.188 ( 0.000 -0.152 0.084) 0.174 27.230 ( 0.000 -0.837 -4.332) 4.412 29.918 ( 0.000 1.338 4.648) 4.837 29.935 ( 0.000 0.684 3.061) 3.136 30.259 ( 0.000 -1.131 11.056) 11.114 30.436 ( 0.000 -3.615 -7.438) 8.270 ======================= Grid point 181 (65/72) ======================= q-point: ( 0.20 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( 6.235 2.306 29.713) 30.447 4.233 ( 6.796 7.781 24.034) 26.161 4.387 ( -3.471 6.918 1.403) 7.865 4.484 ( -3.275 9.504 -0.724) 10.079 4.557 ( 2.896 0.421 -4.268) 5.175 4.684 ( -1.051 -0.965 -10.154) 10.254 4.826 ( 1.116 0.966 1.497) 2.103 4.872 ( 1.514 -5.729 -0.447) 5.942 4.927 ( 5.305 5.072 -2.210) 7.665 4.996 ( 1.268 4.853 1.503) 5.236 5.115 ( -2.819 5.034 5.099) 7.700 5.170 ( -1.762 1.641 0.910) 2.574 5.355 ( -4.636 7.068 -3.435) 9.124 5.495 ( -7.578 1.212 -8.999) 11.827 5.603 ( -4.889 -1.037 6.385) 8.108 5.822 ( -5.612 -2.719 -11.464) 13.051 6.034 ( -1.736 -7.647 2.886) 8.356 6.090 ( -2.301 -5.822 -2.162) 6.623 6.213 ( 1.602 2.653 -2.707) 4.115 6.251 ( -0.846 -1.545 -2.085) 2.729 6.380 ( 4.028 -5.547 -0.945) 6.920 6.437 ( -1.737 -8.969 -4.440) 10.158 6.522 ( -2.079 -6.722 4.784) 8.508 6.582 ( 6.655 -5.439 -1.536) 8.731 6.700 ( 3.849 -3.741 0.468) 5.388 6.761 ( 7.740 -2.885 -2.006) 8.501 6.839 ( -3.131 5.607 0.158) 6.424 6.918 ( -0.648 4.528 -6.944) 8.315 7.130 ( -0.546 5.863 8.607) 10.429 7.251 ( 1.232 5.131 -4.078) 6.669 7.308 ( 5.881 0.944 7.173) 9.324 7.404 ( 2.691 3.394 -0.941) 4.432 7.483 ( -0.842 1.170 -4.490) 4.716 7.503 ( 3.596 0.511 -6.588) 7.523 7.806 ( -3.767 5.294 0.242) 6.501 7.851 ( -5.574 8.082 -4.473) 10.789 8.028 ( -5.479 0.399 2.152) 5.900 8.101 ( -5.198 -2.160 -4.183) 7.013 8.262 ( -4.264 -2.732 1.407) 5.256 8.287 ( -7.305 -5.877 -0.810) 9.411 8.525 ( -1.107 -0.979 2.540) 2.939 8.571 ( -1.913 -5.494 -0.232) 5.822 8.678 ( 0.618 6.832 6.733) 9.611 8.794 ( 2.815 2.764 -0.917) 4.050 8.940 ( 3.888 10.971 7.806) 14.014 9.025 ( 3.506 4.654 4.249) 7.212 9.114 ( 8.255 -2.640 -1.542) 8.803 9.360 ( 12.956 -5.581 -22.730) 26.752 9.743 ( -0.879 -2.080 12.399) 12.603 10.006 ( 2.576 -2.365 -10.969) 11.513 10.083 ( -6.294 -10.804 2.271) 12.708 10.133 ( -3.804 -7.404 -2.222) 8.616 10.233 ( 1.754 -1.139 5.702) 6.074 10.295 ( 2.452 -2.149 0.003) 3.261 10.412 ( -1.109 9.100 1.070) 9.230 10.446 ( -0.676 7.988 -1.509) 8.157 10.550 ( 5.262 6.522 8.143) 11.685 10.690 ( 3.258 -0.189 -3.957) 5.129 10.779 ( -0.646 -0.758 1.428) 1.741 10.800 ( -0.435 -1.235 0.867) 1.570 10.861 ( -2.018 -5.195 -3.358) 6.507 10.920 ( 0.296 0.495 -4.079) 4.120 10.936 ( 2.507 0.628 -2.937) 3.912 10.964 ( 2.881 -0.837 -6.889) 7.514 11.369 ( 1.752 -5.210 1.710) 5.757 11.393 ( -0.062 -3.610 -1.094) 3.773 11.488 ( 6.035 -3.167 6.213) 9.222 11.606 ( 3.652 0.028 -4.477) 5.778 11.631 ( -10.495 4.205 0.122) 11.307 11.751 ( -12.152 3.644 -12.462) 17.784 11.974 ( 1.919 -3.950 1.627) 4.683 12.016 ( 2.814 -2.554 -2.236) 4.409 12.115 ( 4.818 -2.415 2.783) 6.065 12.192 ( 0.109 -9.961 -5.157) 11.217 12.581 ( 2.302 -3.441 6.639) 7.824 12.638 ( 0.077 5.946 6.595) 8.880 12.731 ( 0.965 -3.938 -8.959) 9.834 12.804 ( -0.826 4.159 -9.301) 10.222 13.045 ( -3.298 4.669 0.925) 5.791 13.085 ( -2.195 5.909 -2.975) 6.970 13.416 ( -11.709 -6.294 10.246) 16.784 13.589 ( -9.395 -6.993 -6.050) 13.182 13.836 ( 3.342 -12.966 3.707) 13.893 13.910 ( -1.123 -14.014 -4.571) 14.783 14.330 ( 4.859 -5.235 4.013) 8.193 14.353 ( 4.877 -4.015 1.818) 6.573 14.699 ( 0.390 9.548 7.080) 11.893 14.743 ( 1.648 3.187 11.058) 11.625 14.753 ( -3.457 3.002 2.520) 5.226 14.861 ( -2.188 12.417 0.892) 12.640 15.061 ( 1.971 9.061 0.246) 9.276 15.100 ( 0.025 16.782 -4.730) 17.435 15.609 ( 0.903 -1.560 2.108) 2.774 15.668 ( 2.199 -0.942 -3.848) 4.531 15.809 ( -2.178 1.983 8.669) 9.156 15.874 ( 1.773 4.082 4.680) 6.458 15.955 ( -0.316 3.538 -3.884) 5.264 16.036 ( -4.447 2.161 -11.431) 12.454 16.086 ( 1.657 2.757 -0.237) 3.226 16.174 ( -0.607 0.151 -6.983) 7.011 17.762 ( 6.934 -2.647 0.819) 7.468 17.807 ( 8.554 -3.282 -3.496) 9.807 18.314 ( -5.733 -4.424 7.594) 10.492 18.482 ( -7.349 -7.130 -9.283) 13.821 25.217 ( 0.247 0.336 2.620) 2.653 25.241 ( -0.471 0.081 1.127) 1.224 25.265 ( 0.642 -0.350 1.076) 1.301 25.295 ( -0.226 -0.673 -1.094) 1.304 26.396 ( 6.276 -0.579 2.091) 6.640 26.411 ( 8.245 -0.414 -0.640) 8.280 26.445 ( 2.265 1.970 6.218) 6.904 26.513 ( -0.387 3.418 8.834) 9.480 26.602 ( 1.434 -0.786 -9.124) 9.269 26.719 ( -1.397 -0.284 -12.017) 12.101 27.105 ( -8.283 -0.165 0.043) 8.285 27.144 ( -8.528 -0.793 -4.138) 9.512 29.951 ( 3.218 1.131 5.265) 6.274 29.982 ( 4.475 0.417 2.233) 5.018 30.232 ( -2.557 -1.010 10.278) 10.639 30.391 ( -4.432 -3.227 -6.244) 8.309 ======================= Grid point 182 (66/72) ======================= q-point: ( 0.40 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.266 ( 3.385 8.396 10.929) 14.191 4.324 ( -3.334 9.342 1.406) 10.018 4.370 ( 8.897 0.129 21.205) 22.996 4.515 ( 7.267 6.574 13.859) 16.974 4.551 ( -6.112 -1.427 14.785) 16.062 4.660 ( -3.963 2.964 2.387) 5.495 4.790 ( 1.667 -0.672 -0.854) 1.990 4.880 ( -3.159 1.846 -4.867) 6.089 4.995 ( 2.345 -1.524 3.243) 4.283 5.038 ( -0.295 -2.253 3.150) 3.884 5.117 ( 2.010 4.453 1.864) 5.229 5.142 ( -0.877 3.864 1.258) 4.157 5.302 ( 0.140 2.505 -11.769) 12.033 5.354 ( -2.743 6.507 -15.703) 17.217 5.532 ( -1.053 2.953 -6.292) 7.030 5.645 ( -10.579 0.265 -15.412) 18.696 6.062 ( 4.154 -8.529 3.087) 9.976 6.094 ( 2.447 -6.673 -1.195) 7.208 6.184 ( -5.315 -0.892 0.177) 5.393 6.189 ( -4.494 -0.514 -0.858) 4.604 6.422 ( 3.125 -6.659 2.848) 7.888 6.485 ( -1.002 -5.042 4.219) 6.651 6.509 ( 5.005 -9.057 -2.135) 10.566 6.626 ( -3.414 -10.147 -6.366) 12.455 6.764 ( 2.893 0.877 4.287) 5.245 6.805 ( -0.687 5.574 1.576) 5.833 6.907 ( 7.378 0.566 -3.347) 8.122 6.954 ( 3.840 5.660 -6.089) 9.157 7.117 ( -1.652 9.069 5.666) 10.820 7.175 ( -7.507 8.448 -0.513) 11.313 7.426 ( 4.777 -1.140 0.668) 4.957 7.469 ( 3.652 2.278 -4.508) 6.232 7.509 ( 1.121 -1.931 -1.248) 2.558 7.561 ( -0.335 -0.475 -5.120) 5.153 7.751 ( 2.236 2.798 1.127) 3.755 7.804 ( 1.931 7.018 -3.428) 8.045 7.902 ( -6.233 -4.009 0.816) 7.456 7.974 ( -8.177 -2.943 -5.496) 10.283 8.140 ( -3.265 -2.913 0.893) 4.466 8.178 ( -4.989 -3.180 -3.570) 6.909 8.531 ( 3.267 1.436 4.788) 5.972 8.589 ( 0.063 -0.968 0.349) 1.031 8.689 ( 1.883 13.049 2.784) 13.475 8.778 ( -4.733 13.305 -5.389) 15.115 9.006 ( 4.008 -0.230 15.507) 16.019 9.060 ( -0.631 0.820 11.437) 11.484 9.345 ( 13.488 -8.498 4.423) 16.544 9.532 ( -2.242 -11.029 -4.829) 12.247 9.784 ( 7.811 -3.286 -5.339) 10.016 9.932 ( -6.816 -7.123 -8.855) 13.252 10.020 ( -0.258 -12.980 -3.030) 13.331 10.069 ( -3.677 -11.827 -5.435) 13.526 10.275 ( 2.240 9.160 2.226) 9.689 10.312 ( -0.888 11.839 -1.711) 11.995 10.405 ( 0.899 4.668 1.119) 4.883 10.431 ( -1.116 7.190 -1.508) 7.431 10.736 ( 11.452 5.204 6.152) 14.003 10.768 ( 1.734 -4.849 2.984) 5.951 10.772 ( 1.319 -2.889 1.767) 3.634 10.788 ( 0.752 -2.003 -0.158) 2.145 10.828 ( -1.417 -1.924 -4.022) 4.679 10.904 ( -2.864 -0.538 -3.646) 4.667 10.986 ( 3.670 5.096 -0.152) 6.282 11.058 ( 3.786 6.482 -8.896) 11.640 11.275 ( -8.559 -1.704 0.122) 8.728 11.378 ( -8.263 -2.051 -8.487) 12.021 11.430 ( -1.150 -1.379 0.592) 1.891 11.476 ( -7.333 0.106 -4.975) 8.862 11.642 ( 6.497 2.369 4.464) 8.231 11.703 ( 0.577 5.903 -1.519) 6.123 12.047 ( 5.262 -6.303 2.124) 8.482 12.106 ( 5.456 -3.513 -2.620) 6.998 12.152 ( -3.053 -12.238 0.069) 12.613 12.186 ( -0.513 -7.599 -2.056) 7.889 12.619 ( 0.735 -0.650 0.868) 1.310 12.651 ( -0.727 -2.667 -0.256) 2.776 12.767 ( 6.421 1.996 0.383) 6.735 12.855 ( 5.311 -3.350 -5.200) 8.152 12.962 ( -5.742 -2.129 2.235) 6.519 13.003 ( -6.132 0.055 -1.445) 6.301 13.249 ( -2.182 6.561 2.270) 7.277 13.362 ( -11.685 0.088 -7.567) 13.921 13.862 ( 0.654 -12.714 1.791) 12.856 13.883 ( -1.483 -12.421 -0.448) 12.517 14.434 ( 4.798 -1.667 5.293) 7.336 14.452 ( 3.745 -1.114 3.367) 5.158 14.635 ( -3.677 -2.245 5.583) 7.052 14.643 ( -4.743 -1.992 4.595) 6.898 14.847 ( 4.937 12.611 5.306) 14.545 14.881 ( 1.206 14.558 1.550) 14.690 15.074 ( 1.260 10.438 2.202) 10.742 15.108 ( -0.876 9.210 -1.440) 9.363 15.640 ( 2.370 -0.901 2.905) 3.856 15.690 ( -1.533 1.214 1.108) 2.248 15.792 ( 2.796 -0.930 -1.218) 3.189 15.888 ( -3.357 1.847 -2.273) 4.455 15.938 ( -1.627 4.614 -5.310) 7.220 15.948 ( -1.035 6.656 -0.677) 6.770 16.123 ( 1.914 0.511 -3.342) 3.885 16.155 ( -1.329 -0.098 -5.700) 5.853 17.939 ( 10.437 -2.744 3.097) 11.227 18.016 ( 11.023 -3.679 -4.285) 12.386 18.165 ( -8.023 -4.068 5.159) 10.370 18.287 ( -11.942 -5.766 -6.818) 14.911 25.223 ( 0.369 0.378 2.389) 2.446 25.231 ( -0.459 0.306 1.965) 2.041 25.278 ( 0.646 -0.529 -0.032) 0.836 25.288 ( -0.435 -0.630 -0.720) 1.051 26.453 ( 1.513 1.850 8.606) 8.932 26.480 ( -1.148 2.290 9.494) 9.834 26.614 ( 10.392 -0.797 -2.368) 10.688 26.630 ( 8.868 -0.297 -4.028) 9.744 26.653 ( 8.003 0.259 -5.809) 9.893 26.683 ( -1.891 -0.376 -11.392) 11.554 26.891 ( -12.655 -0.225 -0.150) 12.658 26.923 ( -13.287 -0.661 -3.538) 13.766 30.031 ( 4.513 0.696 6.459) 7.910 30.076 ( 2.772 0.213 2.898) 4.016 30.184 ( -0.152 -1.242 5.577) 5.715 30.277 ( -6.732 -2.295 -3.066) 7.745 ======================= Grid point 185 (67/72) ======================= q-point: ( 0.00 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( 0.000 7.603 29.049) 30.028 4.337 ( 0.000 9.611 18.020) 20.423 4.543 ( 0.000 0.973 7.725) 7.786 4.591 ( 0.000 -9.750 5.317) 11.106 4.601 ( 0.000 5.189 -1.219) 5.330 4.654 ( 0.000 0.425 -4.047) 4.069 4.774 ( 0.000 6.492 -12.807) 14.359 4.779 ( 0.000 2.142 -3.820) 4.380 5.051 ( 0.000 5.331 6.279) 8.237 5.108 ( 0.000 1.755 6.926) 7.145 5.232 ( 0.000 8.528 5.601) 10.203 5.358 ( 0.000 11.236 -3.050) 11.643 5.538 ( 0.000 1.559 -7.001) 7.173 5.563 ( 0.000 7.181 -11.509) 13.566 5.616 ( 0.000 -3.814 6.079) 7.176 5.774 ( 0.000 -6.748 -3.357) 7.537 5.961 ( 0.000 -7.532 -7.110) 10.358 6.040 ( 0.000 -6.214 -8.424) 10.468 6.158 ( 0.000 0.561 9.778) 9.794 6.185 ( 0.000 -2.849 1.662) 3.298 6.263 ( 0.000 -3.154 -5.322) 6.186 6.326 ( 0.000 -0.969 -7.185) 7.250 6.385 ( 0.000 -8.740 2.410) 9.066 6.475 ( 0.000 -8.615 -4.443) 9.693 6.496 ( 0.000 -2.379 3.151) 3.948 6.576 ( 0.000 -5.378 -2.808) 6.066 7.012 ( 0.000 6.944 -2.582) 7.408 7.046 ( 0.000 6.293 -6.530) 9.069 7.174 ( 0.000 -1.874 4.064) 4.475 7.240 ( 0.000 -3.686 -3.152) 4.849 7.262 ( 0.000 2.539 4.528) 5.191 7.364 ( 0.000 -4.270 -6.065) 7.417 7.598 ( 0.000 9.332 0.695) 9.357 7.599 ( 0.000 7.175 -1.350) 7.300 7.955 ( 0.000 6.430 12.041) 13.650 8.070 ( 0.000 -0.920 0.005) 0.920 8.107 ( 0.000 0.760 -3.098) 3.190 8.134 ( 0.000 6.255 -6.665) 9.140 8.233 ( 0.000 1.190 4.512) 4.666 8.278 ( 0.000 -5.929 1.050) 6.021 8.460 ( 0.000 -3.445 2.045) 4.006 8.536 ( 0.000 -5.399 -5.892) 7.991 8.672 ( 0.000 -2.778 4.633) 5.401 8.776 ( 0.000 -3.498 -4.584) 5.766 9.064 ( 0.000 13.897 4.065) 14.479 9.072 ( 0.000 9.300 2.445) 9.616 9.222 ( 0.000 3.286 -8.299) 8.925 9.228 ( 0.000 13.726 -8.798) 16.304 9.821 ( 0.000 0.084 9.383) 9.383 9.869 ( 0.000 -18.113 5.296) 18.871 9.983 ( 0.000 -8.173 -3.524) 8.900 10.014 ( 0.000 4.191 -7.063) 8.213 10.175 ( 0.000 -1.325 6.636) 6.767 10.195 ( 0.000 -2.849 4.510) 5.335 10.480 ( 0.000 -4.285 3.232) 5.367 10.557 ( 0.000 2.275 2.966) 3.738 10.579 ( 0.000 -7.508 -4.360) 8.682 10.605 ( 0.000 3.014 -0.414) 3.042 10.726 ( 0.000 -5.496 -1.727) 5.761 10.739 ( 0.000 -4.777 -2.091) 5.214 10.862 ( 0.000 2.893 -0.240) 2.903 10.871 ( 0.000 1.045 -2.138) 2.380 10.998 ( 0.000 6.658 -2.645) 7.164 11.001 ( 0.000 5.505 -2.526) 6.057 11.171 ( 0.000 -6.236 2.752) 6.816 11.280 ( 0.000 -8.227 -5.616) 9.961 11.324 ( 0.000 -6.252 -0.998) 6.331 11.349 ( 0.000 -12.225 -4.433) 13.004 11.858 ( 0.000 5.104 2.460) 5.666 11.913 ( 0.000 -0.174 -1.016) 1.031 12.004 ( 0.000 6.061 -6.757) 9.077 12.028 ( 0.000 4.035 -5.154) 6.545 12.074 ( 0.000 1.557 0.046) 1.558 12.114 ( 0.000 -0.341 -3.621) 3.637 12.551 ( 0.000 0.865 6.122) 6.183 12.670 ( 0.000 -3.318 -1.036) 3.476 12.742 ( 0.000 5.631 -0.872) 5.698 12.868 ( 0.000 0.354 -8.239) 8.247 13.199 ( 0.000 5.709 2.073) 6.073 13.241 ( 0.000 6.126 -1.243) 6.251 13.308 ( 0.000 -10.950 6.833) 12.907 13.441 ( 0.000 -15.326 -5.897) 16.422 13.595 ( 0.000 -6.641 4.516) 8.031 13.697 ( 0.000 -9.522 -5.623) 11.058 14.210 ( 0.000 -1.085 4.022) 4.166 14.237 ( 0.000 -2.116 1.410) 2.543 14.791 ( 0.000 3.289 12.905) 13.317 14.838 ( 0.000 2.109 6.490) 6.824 14.872 ( 0.000 7.343 3.416) 8.099 14.985 ( 0.000 -0.031 -5.416) 5.417 15.305 ( 0.000 13.970 7.535) 15.872 15.411 ( 0.000 11.023 -3.429) 11.544 15.579 ( 0.000 -0.931 1.703) 1.941 15.618 ( 0.000 -1.152 -2.644) 2.884 15.888 ( 0.000 3.205 3.516) 4.758 15.966 ( 0.000 7.565 5.635) 9.433 15.974 ( 0.000 0.092 -5.004) 5.005 16.131 ( 0.000 1.599 -8.984) 9.125 16.163 ( 0.000 4.567 -2.902) 5.411 16.185 ( 0.000 0.697 -5.959) 5.999 17.634 ( 0.000 -2.693 -0.313) 2.711 17.650 ( 0.000 -3.416 -1.694) 3.813 18.272 ( 0.000 -4.517 4.715) 6.530 18.377 ( 0.000 -9.556 -5.855) 11.208 25.223 ( 0.000 0.525 1.953) 2.022 25.242 ( 0.000 -0.367 -0.023) 0.367 25.256 ( 0.000 0.166 1.998) 2.005 25.281 ( 0.000 -0.955 -0.504) 1.080 26.317 ( 0.000 -0.145 0.108) 0.181 26.321 ( 0.000 -0.269 -0.386) 0.471 26.474 ( 0.000 2.539 3.899) 4.653 26.563 ( 0.000 -1.768 -5.323) 5.609 26.600 ( 0.000 4.512 4.485) 6.362 26.720 ( 0.000 -1.366 -7.937) 8.053 27.187 ( 0.000 0.072 -0.869) 0.872 27.211 ( 0.000 -1.076 -3.395) 3.561 29.949 ( 0.000 1.592 4.082) 4.381 29.952 ( 0.000 1.023 3.797) 3.932 30.240 ( 0.000 -0.283 7.683) 7.688 30.349 ( 0.000 -5.045 -3.534) 6.160 ======================= Grid point 186 (68/72) ======================= q-point: ( 0.20 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.222 ( 4.731 5.784 26.358) 27.397 4.408 ( 4.982 8.167 18.491) 20.819 4.485 ( -1.283 0.507 5.177) 5.358 4.568 ( 1.150 0.962 4.630) 4.866 4.637 ( -0.947 3.717 -4.798) 6.143 4.691 ( 0.248 2.743 -4.131) 4.965 4.805 ( 5.638 -1.466 1.857) 6.114 4.839 ( 1.590 2.374 -1.100) 3.062 5.031 ( -1.256 4.284 7.616) 8.828 5.123 ( 1.995 3.630 2.105) 4.646 5.165 ( -5.404 7.517 5.630) 10.836 5.295 ( -4.675 9.615 -1.396) 10.782 5.452 ( -8.388 0.967 -1.372) 8.554 5.553 ( -4.128 3.104 -3.637) 6.317 5.614 ( 1.095 3.524 -13.637) 14.128 5.729 ( -5.272 -7.009 -11.284) 14.292 5.855 ( -3.463 -8.895 0.743) 9.574 5.946 ( -4.502 -8.915 -6.322) 11.821 6.211 ( 1.237 -3.314 1.920) 4.025 6.253 ( 4.026 -0.472 1.132) 4.209 6.275 ( -3.798 -0.980 -2.175) 4.485 6.314 ( 3.356 -2.715 -6.410) 7.728 6.388 ( 0.724 -7.048 1.269) 7.198 6.465 ( 2.959 -5.903 -5.100) 8.343 6.618 ( 7.316 -3.173 4.456) 9.135 6.693 ( 7.855 -3.957 -2.067) 9.035 7.013 ( -1.219 9.219 -2.328) 9.586 7.021 ( -2.110 6.256 -2.172) 6.950 7.179 ( 4.208 -0.476 2.859) 5.110 7.273 ( 1.772 -4.077 -6.653) 8.001 7.309 ( 5.039 0.435 4.929) 7.063 7.405 ( 3.849 -2.532 -3.603) 5.849 7.560 ( -2.564 5.678 -0.150) 6.231 7.579 ( -1.083 5.520 -1.213) 5.754 7.873 ( -8.101 1.126 0.787) 8.217 7.893 ( -11.521 -1.445 -1.980) 11.779 8.088 ( -3.423 5.048 3.061) 6.824 8.155 ( -5.212 5.641 -1.995) 7.935 8.211 ( -1.557 -0.754 1.749) 2.460 8.259 ( -5.390 -0.027 -1.149) 5.511 8.482 ( -2.568 -1.655 3.716) 4.811 8.521 ( 6.799 1.252 -0.589) 6.938 8.727 ( 8.191 -3.660 3.278) 9.551 8.791 ( 7.379 -4.547 -0.239) 8.671 9.089 ( 0.815 9.689 5.528) 11.185 9.192 ( 3.714 10.660 0.789) 11.316 9.239 ( 0.749 14.127 -7.074) 15.817 9.308 ( 7.850 2.606 -10.227) 13.154 9.721 ( -6.683 -2.582 12.278) 14.215 9.792 ( -7.468 -18.196 3.875) 20.047 9.899 ( -10.429 -13.732 -3.116) 17.523 9.966 ( -6.029 -3.271 -6.599) 9.519 10.204 ( 8.611 -1.567 4.385) 9.790 10.264 ( 8.842 -1.939 -1.298) 9.144 10.532 ( 3.436 0.694 3.517) 4.966 10.555 ( -0.044 4.347 0.658) 4.397 10.641 ( 1.547 0.019 -0.257) 1.568 10.648 ( 4.888 -1.052 -0.577) 5.033 10.703 ( -0.194 -4.008 1.071) 4.153 10.741 ( -1.012 -3.357 -1.621) 3.863 10.878 ( 0.543 3.280 -0.820) 3.425 10.965 ( 8.900 2.626 -4.657) 10.382 10.980 ( -1.110 4.785 -4.109) 6.404 11.004 ( 0.806 3.927 -2.359) 4.651 11.245 ( 4.128 -6.319 2.345) 7.903 11.301 ( 1.624 -5.616 -2.789) 6.477 11.367 ( 6.934 -7.035 2.579) 10.209 11.464 ( 10.770 -11.999 -6.434) 17.360 11.739 ( -11.723 5.739 -0.412) 13.059 11.797 ( -12.350 1.493 -6.765) 14.161 11.961 ( -2.060 4.422 0.351) 4.891 12.025 ( -1.362 3.624 -5.017) 6.337 12.116 ( 3.470 0.758 -0.534) 3.592 12.135 ( 1.609 0.147 -2.198) 2.727 12.525 ( -2.072 -1.874 5.078) 5.795 12.618 ( -4.822 -5.163 -2.092) 7.367 12.754 ( 1.339 4.219 -0.548) 4.460 12.851 ( -1.365 0.393 -7.685) 7.815 13.079 ( -8.980 -1.837 3.282) 9.736 13.141 ( -8.832 -1.670 -2.634) 9.366 13.340 ( 2.017 0.723 4.856) 5.308 13.449 ( -0.899 -4.621 -5.459) 7.209 13.614 ( 1.650 -8.876 4.368) 10.029 13.692 ( -0.452 -9.159 -3.588) 9.847 14.269 ( 5.657 -1.371 3.971) 7.046 14.292 ( 5.448 -2.249 1.601) 6.107 14.762 ( -5.539 2.294 9.567) 11.290 14.796 ( -6.475 1.389 5.844) 8.832 14.905 ( 5.734 7.228 4.963) 10.476 14.989 ( 3.285 2.198 -2.857) 4.877 15.285 ( -2.275 11.053 7.126) 13.346 15.367 ( -4.244 8.652 -1.586) 9.767 15.597 ( 2.564 1.396 1.256) 3.178 15.652 ( 3.538 -0.507 -4.068) 5.416 15.895 ( -1.963 5.593 4.559) 7.478 15.947 ( 0.600 3.475 2.274) 4.196 16.011 ( 2.358 2.510 -3.943) 5.235 16.090 ( -3.759 2.022 -8.180) 9.227 16.153 ( -1.028 3.463 -3.337) 4.918 16.177 ( -0.871 0.551 -5.719) 5.812 17.706 ( 7.064 -2.502 0.572) 7.515 17.734 ( 8.037 -3.755 -2.022) 9.099 18.221 ( -5.132 -4.213 4.405) 7.968 18.317 ( -6.005 -8.802 -5.244) 11.876 25.226 ( 0.325 0.580 1.906) 2.019 25.243 ( 0.000 0.051 0.510) 0.512 25.258 ( 0.222 -0.232 1.378) 1.415 25.279 ( -0.202 -0.946 -0.443) 1.064 26.390 ( 6.985 0.003 0.756) 7.025 26.402 ( 7.922 -0.474 -0.588) 7.958 26.489 ( 1.837 2.600 3.849) 4.995 26.579 ( 1.597 -1.653 -5.227) 5.710 26.590 ( -0.817 4.204 3.650) 5.627 26.705 ( -1.526 -1.399 -7.854) 8.122 27.103 ( -8.313 0.052 -0.908) 8.363 27.125 ( -8.431 -1.029 -3.315) 9.117 29.978 ( 2.890 1.457 4.535) 5.572 29.992 ( 3.820 0.622 3.059) 4.934 30.216 ( -2.418 -0.250 7.333) 7.725 30.313 ( -3.522 -4.510 -2.729) 6.340 ======================= Grid point 187 (69/72) ======================= q-point: ( 0.40 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.370 ( 9.800 2.955 20.827) 23.206 4.453 ( 2.588 4.767 9.659) 11.078 4.513 ( -2.281 6.821 8.905) 11.446 4.552 ( -4.449 3.400 11.408) 12.708 4.649 ( 2.644 5.734 2.002) 6.624 4.712 ( 1.200 3.052 -4.086) 5.239 4.767 ( -0.456 -0.416 10.421) 10.439 4.891 ( -2.581 -1.779 -0.938) 3.272 5.025 ( -0.004 3.984 10.829) 11.539 5.054 ( -3.276 6.511 5.831) 9.334 5.177 ( 1.672 2.120 5.327) 5.972 5.243 ( -3.142 4.540 2.857) 6.217 5.338 ( 3.012 2.139 -12.541) 13.074 5.464 ( -5.708 2.959 -14.995) 16.315 5.567 ( -2.782 -1.273 -14.996) 15.305 5.603 ( -5.675 -5.966 -15.295) 17.370 5.906 ( 6.952 -5.209 2.416) 9.017 5.961 ( 4.196 -5.654 -2.801) 7.578 6.124 ( -6.663 -4.654 -1.674) 8.298 6.161 ( -8.067 -3.534 -4.534) 9.905 6.356 ( 4.752 -0.215 -0.569) 4.790 6.375 ( 3.559 -2.496 -1.410) 4.570 6.427 ( 0.278 -1.987 -1.557) 2.539 6.466 ( -2.681 -4.407 -4.308) 6.721 6.768 ( 8.923 0.144 5.302) 10.380 6.855 ( 6.953 -1.849 -2.945) 7.774 6.948 ( -2.121 4.323 4.311) 6.463 7.030 ( -2.019 1.898 -3.791) 4.695 7.266 ( 3.133 3.783 1.657) 5.184 7.288 ( 0.009 2.694 -0.369) 2.719 7.411 ( 4.463 -0.057 1.589) 4.738 7.469 ( 0.435 -1.582 -4.674) 4.953 7.552 ( -1.832 5.199 -0.851) 5.578 7.574 ( -0.657 2.325 -3.064) 3.901 7.700 ( 0.649 -4.611 2.765) 5.415 7.770 ( -1.385 -3.854 -4.779) 6.294 7.972 ( -7.299 4.372 0.983) 8.564 7.999 ( -9.969 2.606 -1.000) 10.353 8.087 ( -4.345 -2.127 -0.621) 4.878 8.115 ( -6.127 -3.793 -3.645) 8.075 8.607 ( 10.812 8.471 8.115) 15.954 8.678 ( 5.760 10.881 -0.279) 12.315 8.925 ( 5.271 8.639 4.118) 10.926 8.976 ( 12.139 0.770 3.279) 12.597 9.051 ( -6.571 8.562 2.167) 11.008 9.175 ( 0.458 -3.180 -0.177) 3.218 9.218 ( -3.030 10.345 4.979) 11.874 9.348 ( -6.570 -4.178 1.891) 8.012 9.669 ( -2.119 -18.356 0.461) 18.483 9.686 ( -1.398 -11.319 1.054) 11.453 9.723 ( 0.295 -14.674 -5.208) 15.574 9.843 ( -6.932 -10.108 -9.222) 15.338 10.409 ( 9.523 5.081 3.488) 11.344 10.465 ( 8.551 4.059 -1.584) 9.597 10.529 ( -2.660 6.396 1.512) 7.090 10.562 ( -2.046 4.720 -1.636) 5.398 10.650 ( 1.016 -4.398 2.383) 5.104 10.678 ( -1.090 -3.436 -1.017) 3.746 10.751 ( 3.879 -3.038 -0.275) 4.934 10.778 ( 3.276 -1.761 -3.022) 4.792 10.901 ( 2.914 6.744 2.656) 7.812 10.960 ( -1.455 4.552 -1.409) 4.983 11.048 ( 5.014 0.331 0.669) 5.069 11.147 ( 7.771 -1.121 -8.815) 11.804 11.232 ( -3.684 1.081 3.039) 4.897 11.341 ( 1.086 -1.735 -5.854) 6.201 11.453 ( -12.904 3.591 -1.780) 13.512 11.492 ( -11.429 1.562 -4.540) 12.396 11.613 ( 14.082 -3.661 4.716) 15.296 11.749 ( 12.608 -6.759 -8.626) 16.705 11.867 ( -8.513 -2.421 2.914) 9.317 11.963 ( -6.157 -1.752 -6.284) 8.971 12.153 ( 0.707 3.310 -0.163) 3.389 12.165 ( 0.293 2.163 -0.879) 2.354 12.500 ( -0.027 -8.132 0.952) 8.187 12.529 ( -3.033 -9.415 -2.018) 10.095 12.804 ( 3.897 1.380 -0.654) 4.185 12.845 ( 2.039 -0.142 -4.514) 4.955 12.909 ( -7.454 -1.955 1.955) 7.950 12.960 ( -8.758 -3.812 -2.987) 10.008 13.372 ( 1.599 6.168 1.400) 6.524 13.411 ( -2.358 4.755 -2.360) 5.808 13.647 ( 1.623 -9.382 2.378) 9.814 13.675 ( -1.265 -9.051 -0.525) 9.154 14.412 ( 8.473 -0.562 4.360) 9.546 14.429 ( 7.948 -1.176 2.417) 8.390 14.609 ( -8.976 -0.093 4.984) 10.267 14.620 ( -9.593 -0.373 3.698) 10.288 15.055 ( 8.126 7.252 6.508) 12.688 15.102 ( 6.313 5.703 1.849) 8.707 15.213 ( -4.600 5.867 5.892) 9.503 15.260 ( -6.427 4.720 0.867) 8.021 15.679 ( 5.555 4.750 1.516) 7.464 15.753 ( 5.103 2.886 -5.466) 8.015 15.812 ( -3.937 4.354 3.525) 6.847 15.912 ( -6.346 1.185 -4.818) 8.055 16.040 ( 1.585 4.607 -2.585) 5.515 16.060 ( 0.399 4.272 -2.620) 5.028 16.134 ( -0.310 0.504 -4.367) 4.407 16.152 ( -1.545 -0.080 -5.446) 5.661 17.882 ( 10.148 -2.523 2.060) 10.659 17.931 ( 11.107 -4.639 -2.658) 12.327 18.081 ( -8.646 -3.713 3.453) 10.023 18.155 ( -10.241 -7.049 -3.840) 13.012 25.233 ( 0.389 0.673 1.757) 1.922 25.240 ( -0.259 0.596 1.397) 1.541 25.265 ( 0.442 -0.773 0.305) 0.941 25.273 ( -0.366 -0.922 -0.219) 1.016 26.498 ( 2.730 2.705 4.637) 6.022 26.535 ( -0.397 3.132 5.691) 6.508 26.590 ( 6.754 -1.601 -3.344) 7.704 26.626 ( 6.415 -0.604 -1.305) 6.574 26.653 ( 9.188 -0.043 -3.364) 9.784 26.673 ( 0.874 -0.697 -8.085) 8.162 26.888 ( -12.863 -0.013 -1.123) 12.912 26.907 ( -13.125 -0.882 -3.109) 13.517 30.051 ( 4.163 1.294 5.250) 6.824 30.082 ( 4.024 0.320 2.227) 4.610 30.159 ( -2.244 -0.988 5.627) 6.138 30.222 ( -5.497 -3.248 -0.629) 6.416 ======================= Grid point 190 (70/72) ======================= q-point: ( 0.00 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.362 ( 0.000 -10.600 20.263) 22.868 4.362 ( 0.000 10.600 20.263) 22.868 4.500 ( 0.000 -4.989 8.618) 9.958 4.500 ( 0.000 4.989 8.618) 9.958 4.654 ( 0.000 -1.110 1.978) 2.268 4.654 ( 0.000 1.110 1.978) 2.268 4.841 ( 0.000 -1.335 -5.027) 5.201 4.841 ( 0.000 1.335 -5.027) 5.201 5.094 ( 0.000 -0.247 4.790) 4.796 5.094 ( 0.000 0.247 4.790) 4.796 5.454 ( 0.000 -7.431 -9.706) 12.223 5.454 ( 0.000 7.431 -9.706) 12.223 5.548 ( 0.000 -2.034 6.384) 6.700 5.548 ( 0.000 2.034 6.384) 6.700 5.661 ( 0.000 -3.026 -8.831) 9.335 5.661 ( 0.000 3.026 -8.831) 9.335 5.923 ( 0.000 -3.748 -9.638) 10.341 5.923 ( 0.000 3.748 -9.638) 10.341 6.167 ( 0.000 -0.370 8.901) 8.908 6.167 ( 0.000 0.370 8.901) 8.908 6.268 ( 0.000 -2.506 -3.288) 4.134 6.268 ( 0.000 2.506 -3.288) 4.134 6.339 ( 0.000 -3.270 -4.319) 5.417 6.339 ( 0.000 3.270 -4.319) 5.417 6.492 ( 0.000 -2.311 0.533) 2.371 6.492 ( 0.000 2.311 0.533) 2.371 7.102 ( 0.000 -1.293 -2.258) 2.602 7.102 ( 0.000 1.293 -2.258) 2.602 7.160 ( 0.000 -1.901 -4.847) 5.207 7.160 ( 0.000 1.901 -4.847) 5.207 7.310 ( 0.000 -2.447 -1.120) 2.691 7.310 ( 0.000 2.447 -1.120) 2.691 7.685 ( 0.000 -0.390 4.124) 4.142 7.685 ( 0.000 0.390 4.124) 4.142 8.080 ( 0.000 -2.577 -4.224) 4.948 8.080 ( 0.000 2.577 -4.224) 4.948 8.114 ( 0.000 -7.917 8.096) 11.323 8.114 ( 0.000 7.917 8.096) 11.324 8.246 ( 0.000 -1.279 -1.605) 2.052 8.246 ( 0.000 1.279 -1.605) 2.052 8.442 ( 0.000 -2.692 -2.575) 3.725 8.442 ( 0.000 2.692 -2.575) 3.725 8.682 ( 0.000 -3.573 -1.331) 3.813 8.682 ( 0.000 3.573 -1.331) 3.813 9.204 ( 0.000 -2.751 -0.457) 2.789 9.204 ( 0.000 2.751 -0.457) 2.789 9.440 ( 0.000 -12.907 1.630) 13.010 9.440 ( 0.000 12.907 1.630) 13.010 9.581 ( 0.000 -10.470 -1.529) 10.581 9.581 ( 0.000 10.470 -1.529) 10.581 10.048 ( 0.000 -4.517 1.860) 4.885 10.048 ( 0.000 4.517 1.860) 4.885 10.168 ( 0.000 -0.733 3.148) 3.232 10.168 ( 0.000 0.733 3.148) 3.232 10.412 ( 0.000 -2.904 3.218) 4.334 10.412 ( 0.000 2.904 3.218) 4.335 10.605 ( 0.000 -1.708 -1.527) 2.292 10.605 ( 0.000 1.709 -1.527) 2.292 10.689 ( 0.000 -0.754 -3.586) 3.665 10.689 ( 0.000 0.754 -3.586) 3.665 10.883 ( 0.000 -0.293 0.090) 0.306 10.883 ( 0.000 0.293 0.090) 0.306 11.068 ( 0.000 -0.979 -3.334) 3.474 11.068 ( 0.000 0.979 -3.334) 3.474 11.181 ( 0.000 -5.112 -3.014) 5.934 11.181 ( 0.000 5.112 -3.014) 5.934 11.216 ( 0.000 -3.145 -1.594) 3.525 11.216 ( 0.000 3.145 -1.594) 3.525 11.916 ( 0.000 -0.768 2.607) 2.718 11.916 ( 0.000 0.768 2.607) 2.718 12.078 ( 0.000 -0.945 -6.455) 6.524 12.078 ( 0.000 0.945 -6.455) 6.524 12.100 ( 0.000 -1.701 -2.653) 3.151 12.100 ( 0.000 1.701 -2.653) 3.152 12.598 ( 0.000 -3.719 3.478) 5.091 12.598 ( 0.000 3.719 3.478) 5.091 12.838 ( 0.000 -3.559 -5.855) 6.852 12.838 ( 0.000 3.559 -5.855) 6.852 13.229 ( 0.000 -4.180 -0.248) 4.187 13.229 ( 0.000 4.180 -0.248) 4.187 13.290 ( 0.000 -2.256 2.263) 3.196 13.290 ( 0.000 2.256 2.263) 3.196 13.556 ( 0.000 -3.942 -2.069) 4.452 13.556 ( 0.000 3.942 -2.069) 4.452 14.211 ( 0.000 -0.765 2.846) 2.947 14.211 ( 0.000 0.765 2.846) 2.947 14.840 ( 0.000 -1.601 10.856) 10.973 14.840 ( 0.000 1.601 10.856) 10.973 14.965 ( 0.000 -2.504 -1.280) 2.812 14.965 ( 0.000 2.504 -1.280) 2.812 15.471 ( 0.000 -3.520 4.056) 5.370 15.471 ( 0.000 3.520 4.056) 5.370 15.598 ( 0.000 -1.466 -1.981) 2.464 15.598 ( 0.000 1.466 -1.981) 2.464 15.948 ( 0.000 -2.776 -1.679) 3.244 15.948 ( 0.000 2.776 -1.679) 3.244 16.094 ( 0.000 -4.907 0.578) 4.941 16.094 ( 0.000 4.907 0.578) 4.941 16.209 ( 0.000 -0.109 -7.347) 7.348 16.209 ( 0.000 0.109 -7.347) 7.348 17.610 ( 0.000 -0.440 -0.584) 0.732 17.610 ( 0.000 0.440 -0.584) 0.732 18.248 ( 0.000 -2.909 -0.393) 2.936 18.248 ( 0.000 2.909 -0.393) 2.936 25.233 ( 0.000 -0.537 0.935) 1.078 25.233 ( 0.000 0.537 0.935) 1.078 25.264 ( 0.000 -0.684 0.671) 0.958 25.264 ( 0.000 0.684 0.671) 0.958 26.317 ( 0.000 -0.133 -0.219) 0.256 26.317 ( 0.000 0.133 -0.219) 0.256 26.522 ( 0.000 -2.440 -0.640) 2.523 26.522 ( 0.000 2.440 -0.640) 2.523 26.676 ( 0.000 -3.274 -1.930) 3.801 26.676 ( 0.000 3.274 -1.930) 3.801 27.194 ( 0.000 -0.651 -2.139) 2.236 27.194 ( 0.000 0.651 -2.139) 2.236 29.966 ( 0.000 -0.070 4.157) 4.157 29.966 ( 0.000 0.070 4.157) 4.157 30.266 ( 0.000 -3.119 2.026) 3.719 30.266 ( 0.000 3.119 2.026) 3.719 ======================= Grid point 192 (71/72) ======================= q-point: ( 0.20 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.357 ( 1.141 -7.711 18.189) 19.789 4.357 ( 1.141 7.711 18.189) 19.789 4.558 ( 4.373 -3.099 5.441) 7.637 4.558 ( 4.372 3.099 5.441) 7.637 4.697 ( 3.198 -4.626 7.148) 9.095 4.697 ( 3.198 4.626 7.148) 9.095 4.828 ( -1.341 -4.698 -3.432) 5.971 4.828 ( -1.341 4.698 -3.433) 5.971 5.113 ( 1.463 -3.631 6.876) 7.913 5.113 ( 1.463 3.631 6.876) 7.913 5.391 ( -6.962 -9.507 -0.176) 11.785 5.391 ( -6.962 9.507 -0.176) 11.785 5.468 ( -5.435 -8.989 -2.013) 10.695 5.468 ( -5.435 8.989 -2.013) 10.695 5.662 ( -3.042 -0.246 -14.775) 15.087 5.662 ( -3.042 0.246 -14.775) 15.087 5.798 ( -4.068 -4.387 -6.160) 8.587 5.798 ( -4.068 4.387 -6.160) 8.587 6.212 ( -1.447 -3.931 0.529) 4.223 6.212 ( -1.447 3.931 0.529) 4.223 6.277 ( 2.132 -1.596 -0.841) 2.793 6.277 ( 2.132 1.596 -0.841) 2.793 6.361 ( 5.196 -3.749 -3.511) 7.306 6.361 ( 5.196 3.749 -3.511) 7.306 6.618 ( 8.229 -2.848 1.548) 8.845 6.618 ( 8.229 2.848 1.548) 8.845 7.125 ( 0.972 -4.716 0.163) 4.817 7.125 ( 0.972 4.716 0.163) 4.817 7.168 ( 0.876 -6.242 -4.424) 7.701 7.168 ( 0.876 6.242 -4.424) 7.701 7.339 ( 4.295 -3.224 -0.668) 5.412 7.339 ( 4.295 3.225 -0.668) 5.412 7.634 ( -2.375 -0.855 0.981) 2.708 7.634 ( -2.375 0.855 0.981) 2.708 7.880 ( -12.377 -0.384 -1.487) 12.472 7.880 ( -12.377 0.384 -1.487) 12.472 8.169 ( -4.444 -2.757 4.713) 7.040 8.169 ( -4.444 2.757 4.713) 7.040 8.244 ( -5.222 -2.175 -2.727) 6.280 8.244 ( -5.222 2.175 -2.727) 6.280 8.526 ( 9.059 -4.046 2.039) 10.129 8.526 ( 9.059 4.046 2.039) 10.129 8.677 ( 8.648 -2.642 -1.472) 9.162 8.677 ( 8.648 2.642 -1.472) 9.162 9.325 ( 4.238 -3.870 -1.669) 5.977 9.325 ( 4.238 3.870 -1.669) 5.977 9.425 ( -1.214 -16.407 4.682) 17.105 9.425 ( -1.214 16.407 4.682) 17.105 9.514 ( -4.089 -13.893 -4.195) 15.078 9.514 ( -4.089 13.893 -4.195) 15.078 9.860 ( -18.704 -6.584 4.608) 20.357 9.860 ( -18.704 6.584 4.608) 20.357 10.209 ( 13.164 -2.569 -0.027) 13.412 10.209 ( 13.164 2.570 -0.027) 13.412 10.564 ( 5.496 -3.765 3.099) 7.347 10.564 ( 5.496 3.765 3.099) 7.347 10.618 ( 0.904 -2.330 -2.226) 3.347 10.618 ( 0.904 2.330 -2.226) 3.347 10.692 ( 0.688 -0.835 -3.216) 3.393 10.692 ( 0.688 0.835 -3.216) 3.393 10.942 ( 4.335 -3.227 2.760) 6.068 10.942 ( 4.335 3.227 2.760) 6.068 11.056 ( 0.195 -1.355 -6.208) 6.357 11.056 ( 0.195 1.355 -6.208) 6.357 11.217 ( 3.226 -3.533 -1.853) 5.131 11.217 ( 3.226 3.533 -1.853) 5.131 11.308 ( 9.726 -3.342 -1.011) 10.334 11.308 ( 9.726 3.342 -1.011) 10.334 11.809 ( -11.047 -1.334 -0.412) 11.135 11.809 ( -11.047 1.334 -0.412) 11.135 12.045 ( -3.333 -2.879 -4.755) 6.481 12.045 ( -3.333 2.879 -4.755) 6.481 12.134 ( 3.480 -1.109 -2.093) 4.209 12.134 ( 3.480 1.109 -2.093) 4.209 12.532 ( -6.499 -2.943 1.594) 7.310 12.532 ( -6.499 2.943 1.594) 7.310 12.825 ( -0.784 -2.974 -4.158) 5.172 12.825 ( -0.784 2.974 -4.158) 5.172 13.066 ( -9.761 -2.715 -0.564) 10.147 13.066 ( -9.761 2.715 -0.564) 10.147 13.402 ( 5.347 -3.885 2.605) 7.105 13.402 ( 5.347 3.886 2.605) 7.105 13.556 ( -0.306 -4.053 -1.983) 4.522 13.556 ( -0.306 4.053 -1.983) 4.522 14.265 ( 5.444 -0.672 2.780) 6.149 14.265 ( 5.444 0.672 2.780) 6.149 14.798 ( -6.456 -1.146 8.578) 10.797 14.798 ( -6.456 1.146 8.578) 10.797 14.989 ( 4.747 -1.968 0.564) 5.170 14.989 ( 4.747 1.968 0.564) 5.170 15.411 ( -5.280 -2.431 4.461) 7.327 15.411 ( -5.280 2.431 4.461) 7.327 15.643 ( 4.427 -1.470 -2.146) 5.135 15.643 ( 4.427 1.470 -2.146) 5.135 15.969 ( 0.606 -1.897 -0.947) 2.205 15.969 ( 0.606 1.897 -0.947) 2.205 16.072 ( -1.390 -3.408 -0.997) 3.813 16.072 ( -1.390 3.408 -0.997) 3.813 16.191 ( -1.727 -0.509 -6.733) 6.970 16.191 ( -1.727 0.509 -6.733) 6.970 17.687 ( 7.406 -0.768 -0.333) 7.453 17.687 ( 7.406 0.768 -0.333) 7.453 18.198 ( -5.001 -2.672 -0.248) 5.675 18.198 ( -5.001 2.672 -0.248) 5.676 25.237 ( 0.410 -0.544 0.889) 1.120 25.237 ( 0.410 0.544 0.889) 1.120 25.262 ( -0.200 -0.663 0.684) 0.973 25.262 ( -0.200 0.663 0.684) 0.973 26.394 ( 7.517 -0.335 -0.173) 7.527 26.394 ( 7.517 0.335 -0.173) 7.527 26.539 ( 1.766 -2.454 -0.531) 3.070 26.539 ( 1.766 2.454 -0.531) 3.070 26.662 ( -1.389 -3.127 -2.172) 4.053 26.662 ( -1.389 3.127 -2.172) 4.053 27.109 ( -8.356 -0.623 -2.151) 8.651 27.109 ( -8.356 0.623 -2.151) 8.651 29.997 ( 3.084 -0.370 3.988) 5.055 29.997 ( 3.084 0.370 3.988) 5.055 30.239 ( -2.683 -2.807 2.273) 4.500 30.239 ( -2.683 2.807 2.273) 4.500 ======================= Grid point 194 (72/72) ======================= q-point: ( 0.40 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.439 ( 7.072 -3.846 14.891) 16.927 4.439 ( 7.072 3.846 14.891) 16.927 4.580 ( -4.686 -2.329 9.630) 10.960 4.580 ( -4.686 2.329 9.630) 10.960 4.752 ( 3.371 -2.931 4.535) 6.366 4.752 ( 3.371 2.931 4.535) 6.366 4.802 ( -1.255 -6.262 2.397) 6.822 4.802 ( -1.255 6.262 2.397) 6.822 5.140 ( 2.217 -6.228 10.199) 12.154 5.140 ( 2.217 6.228 10.199) 12.154 5.237 ( -7.374 -7.560 6.645) 12.477 5.237 ( -7.374 7.560 6.645) 12.477 5.419 ( 1.160 -7.437 -13.755) 15.679 5.419 ( 1.160 7.437 -13.755) 15.679 5.510 ( -7.739 -3.018 -16.033) 18.057 5.510 ( -7.739 3.018 -16.033) 18.057 5.891 ( 9.421 -2.339 -6.149) 11.491 5.891 ( 9.421 2.339 -6.149) 11.491 6.089 ( -9.516 -1.956 -6.041) 11.440 6.089 ( -9.516 1.956 -6.041) 11.440 6.371 ( 4.624 -1.308 0.356) 4.818 6.371 ( 4.624 1.308 0.356) 4.818 6.420 ( 0.064 -1.785 -2.870) 3.380 6.420 ( 0.064 1.785 -2.870) 3.380 6.798 ( 11.286 -3.089 3.139) 12.115 6.798 ( 11.286 3.089 3.139) 12.115 7.020 ( -9.762 -2.754 0.585) 10.160 7.020 ( -9.762 2.754 0.585) 10.160 7.284 ( 9.140 -1.204 -2.272) 9.495 7.284 ( 9.140 1.204 -2.272) 9.495 7.440 ( -0.438 -2.027 -2.041) 2.909 7.440 ( -0.438 2.027 -2.041) 2.909 7.621 ( 0.385 -3.692 2.923) 4.725 7.621 ( 0.385 3.692 2.923) 4.725 7.682 ( -3.683 -5.752 -2.982) 7.453 7.682 ( -3.683 5.752 -2.982) 7.453 8.030 ( -6.171 -1.585 0.702) 6.410 8.030 ( -6.171 1.585 0.702) 6.410 8.057 ( -8.882 -0.950 -2.160) 9.190 8.057 ( -8.882 0.950 -2.160) 9.190 8.809 ( 17.534 -8.124 6.708) 20.456 8.809 ( 17.534 8.124 6.708) 20.456 8.963 ( 16.872 -4.674 -0.380) 17.511 8.963 ( 16.872 4.674 -0.380) 17.511 9.150 ( -14.615 -3.789 2.345) 15.279 9.150 ( -14.615 3.789 2.345) 15.279 9.322 ( -16.689 -8.066 1.427) 18.591 9.322 ( -16.689 8.066 1.427) 18.591 9.530 ( 5.440 -7.296 -0.913) 9.147 9.530 ( 5.440 7.296 -0.913) 9.147 9.619 ( -5.113 -12.125 -2.939) 13.483 9.619 ( -5.113 12.125 -2.939) 13.483 10.484 ( 11.346 -2.311 1.038) 11.625 10.484 ( 11.346 2.311 1.038) 11.625 10.598 ( -2.191 -1.009 -0.548) 2.473 10.598 ( -2.191 1.009 -0.548) 2.473 10.643 ( 3.701 -3.344 0.807) 5.053 10.643 ( 3.701 3.344 0.807) 5.053 10.702 ( -0.826 -3.667 -1.615) 4.091 10.702 ( -0.826 3.667 -1.615) 4.091 11.000 ( 3.417 -2.709 1.402) 4.581 11.000 ( 3.417 2.709 1.402) 4.581 11.068 ( -1.335 -3.754 -1.587) 4.289 11.068 ( -1.335 3.754 -1.587) 4.289 11.305 ( 6.577 -2.975 -3.387) 7.974 11.305 ( 6.577 2.975 -3.387) 7.974 11.497 ( -8.071 -1.407 -1.378) 8.308 11.497 ( -8.071 1.407 -1.378) 8.308 11.621 ( 10.155 -3.780 -4.049) 11.568 11.621 ( 10.155 3.780 -4.049) 11.568 11.902 ( -12.118 -4.006 -3.403) 13.209 11.902 ( -12.118 4.006 -3.403) 13.209 12.236 ( 6.704 -0.321 -1.663) 6.915 12.236 ( 6.704 0.321 -1.663) 6.915 12.381 ( -8.013 -0.824 -0.680) 8.084 12.381 ( -8.013 0.824 -0.680) 8.084 12.829 ( 1.630 -1.457 -1.968) 2.941 12.829 ( 1.630 1.457 -1.968) 2.941 12.904 ( -6.300 -1.563 -1.112) 6.585 12.904 ( -6.300 1.563 -1.112) 6.585 13.484 ( 3.343 -4.266 1.679) 5.674 13.484 ( 3.343 4.266 1.679) 5.674 13.535 ( -1.887 -4.258 -0.498) 4.684 13.535 ( -1.887 4.258 -0.498) 4.684 14.412 ( 9.405 -0.536 3.091) 9.914 14.412 ( 9.405 0.536 3.091) 9.914 14.615 ( -10.876 -0.356 4.617) 11.821 14.615 ( -10.876 0.356 4.617) 11.821 15.130 ( 8.386 -1.299 3.773) 9.287 15.130 ( 8.386 1.299 3.773) 9.287 15.286 ( -7.388 -1.359 4.625) 8.822 15.286 ( -7.388 1.360 4.625) 8.822 15.760 ( 7.254 -2.276 -1.759) 7.803 15.760 ( 7.254 2.276 -1.759) 7.803 15.903 ( -6.605 -3.058 -0.690) 7.312 15.903 ( -6.605 3.058 -0.690) 7.312 16.092 ( 2.739 -0.861 -3.665) 4.656 16.092 ( 2.739 0.861 -3.665) 4.656 16.147 ( -2.686 -0.867 -5.191) 5.908 16.147 ( -2.686 0.867 -5.191) 5.908 17.868 ( 10.322 -1.383 0.008) 10.414 17.868 ( 10.322 1.383 0.008) 10.414 18.060 ( -8.905 -2.080 0.004) 9.145 18.060 ( -8.905 2.080 0.004) 9.145 25.247 ( 0.526 -0.570 0.798) 1.113 25.247 ( 0.526 0.570 0.798) 1.113 25.256 ( -0.403 -0.615 0.725) 1.033 25.256 ( -0.403 0.615 0.725) 1.033 26.548 ( 4.846 -2.281 -0.069) 5.356 26.548 ( 4.846 2.281 -0.069) 5.356 26.595 ( 1.135 -2.425 1.541) 3.089 26.595 ( 1.135 2.425 1.541) 3.089 26.660 ( 6.750 -0.621 -4.374) 8.067 26.660 ( 6.750 0.621 -4.374) 8.067 26.893 ( -12.996 -0.542 -2.291) 13.208 26.893 ( -12.996 0.542 -2.291) 13.208 30.076 ( 4.687 -1.099 3.518) 5.963 30.076 ( 4.687 1.099 3.518) 5.963 30.167 ( -4.453 -2.022 2.868) 5.670 30.167 ( -4.453 2.022 2.868) 5.670 =================== 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 3/39600 10.0 3305.018 3850.605 2099.535 0.000 0.000 -0.000 3/39600 20.0 2863.109 2936.915 2379.770 0.000 0.000 0.000 3/39600 30.0 1251.550 1250.150 1259.341 0.000 0.000 0.000 3/39600 40.0 577.944 553.825 612.456 0.000 0.000 0.000 3/39600 50.0 295.833 280.234 323.851 0.000 0.000 0.000 3/39600 60.0 170.603 162.174 191.633 0.000 0.000 0.000 3/39600 70.0 108.855 104.215 124.648 0.000 0.000 0.000 3/39600 80.0 75.226 72.506 87.347 0.000 0.000 0.000 3/39600 90.0 55.325 53.618 64.884 0.000 0.000 0.000 3/39600 100.0 42.721 41.583 50.463 0.000 0.000 0.000 3/39600 110.0 34.282 33.484 40.706 0.000 0.000 0.000 3/39600 120.0 28.367 27.782 33.811 0.000 0.000 0.000 3/39600 130.0 24.058 23.615 28.756 0.000 0.000 0.000 3/39600 140.0 20.817 20.471 24.935 0.000 0.000 0.000 3/39600 150.0 18.312 18.035 21.970 0.000 0.000 0.000 3/39600 160.0 16.329 16.104 19.617 0.000 0.000 0.000 3/39600 170.0 14.728 14.541 17.712 0.000 0.000 0.000 3/39600 180.0 13.412 13.255 16.144 0.000 0.000 0.000 3/39600 190.0 12.313 12.181 14.835 0.000 0.000 0.000 3/39600 200.0 11.385 11.271 13.727 0.000 0.000 0.000 3/39600 210.0 10.590 10.492 12.779 0.000 0.000 0.000 3/39600 220.0 9.903 9.818 11.960 0.000 0.000 0.000 3/39600 230.0 9.303 9.229 11.245 0.000 0.000 0.000 3/39600 240.0 8.776 8.710 10.615 0.000 0.000 0.000 3/39600 250.0 8.308 8.249 10.058 0.000 0.000 0.000 3/39600 260.0 7.890 7.838 9.561 0.000 0.000 0.000 3/39600 270.0 7.515 7.468 9.115 0.000 0.000 0.000 3/39600 280.0 7.176 7.134 8.712 0.000 0.000 0.000 3/39600 290.0 6.868 6.830 8.347 0.000 0.000 0.000 3/39600 300.0 6.587 6.553 8.014 0.000 0.000 0.000 3/39600 310.0 6.330 6.299 7.709 0.000 0.000 0.000 3/39600 320.0 6.094 6.065 7.429 0.000 0.000 0.000 3/39600 330.0 5.876 5.850 7.170 0.000 0.000 0.000 3/39600 340.0 5.674 5.650 6.931 0.000 0.000 0.000 3/39600 350.0 5.486 5.464 6.709 0.000 0.000 0.000 3/39600 360.0 5.312 5.291 6.503 0.000 0.000 0.000 3/39600 370.0 5.149 5.129 6.309 0.000 0.000 0.000 3/39600 380.0 4.996 4.977 6.129 0.000 0.000 0.000 3/39600 390.0 4.852 4.835 5.959 0.000 0.000 0.000 3/39600 400.0 4.718 4.701 5.799 0.000 0.000 0.000 3/39600 410.0 4.591 4.575 5.649 0.000 0.000 0.000 3/39600 420.0 4.471 4.456 5.507 0.000 0.000 0.000 3/39600 430.0 4.357 4.343 5.372 0.000 0.000 0.000 3/39600 440.0 4.249 4.236 5.245 0.000 0.000 0.000 3/39600 450.0 4.147 4.135 5.123 0.000 0.000 0.000 3/39600 460.0 4.050 4.038 5.008 0.000 0.000 0.000 3/39600 470.0 3.958 3.946 4.898 0.000 0.000 0.000 3/39600 480.0 3.870 3.859 4.794 0.000 0.000 0.000 3/39600 490.0 3.786 3.775 4.694 0.000 0.000 0.000 3/39600 500.0 3.706 3.695 4.598 0.000 0.000 0.000 3/39600 510.0 3.629 3.619 4.507 0.000 0.000 0.000 3/39600 520.0 3.556 3.546 4.419 0.000 0.000 0.000 3/39600 530.0 3.485 3.476 4.335 0.000 0.000 0.000 3/39600 540.0 3.418 3.408 4.254 0.000 0.000 0.000 3/39600 550.0 3.353 3.344 4.176 0.000 0.000 0.000 3/39600 560.0 3.290 3.281 4.102 0.000 0.000 0.000 3/39600 570.0 3.230 3.222 4.030 0.000 0.000 0.000 3/39600 580.0 3.172 3.164 3.960 0.000 0.000 0.000 3/39600 590.0 3.117 3.108 3.893 0.000 0.000 0.000 3/39600 600.0 3.063 3.055 3.829 0.000 0.000 0.000 3/39600 610.0 3.011 3.003 3.766 0.000 0.000 0.000 3/39600 620.0 2.961 2.953 3.706 0.000 0.000 0.000 3/39600 630.0 2.913 2.905 3.648 0.000 0.000 0.000 3/39600 640.0 2.866 2.859 3.591 0.000 0.000 0.000 3/39600 650.0 2.821 2.813 3.537 0.000 0.000 0.000 3/39600 660.0 2.777 2.770 3.484 0.000 0.000 0.000 3/39600 670.0 2.735 2.727 3.432 0.000 0.000 0.000 3/39600 680.0 2.693 2.686 3.382 0.000 0.000 0.000 3/39600 690.0 2.654 2.647 3.334 0.000 0.000 0.000 3/39600 700.0 2.615 2.608 3.287 0.000 0.000 0.000 3/39600 710.0 2.577 2.571 3.241 0.000 0.000 0.000 3/39600 720.0 2.541 2.534 3.197 0.000 0.000 0.000 3/39600 730.0 2.506 2.499 3.154 0.000 0.000 0.000 3/39600 740.0 2.471 2.465 3.112 0.000 0.000 0.000 3/39600 750.0 2.438 2.431 3.071 0.000 0.000 0.000 3/39600 760.0 2.405 2.399 3.032 0.000 0.000 0.000 3/39600 770.0 2.373 2.367 2.993 0.000 0.000 0.000 3/39600 780.0 2.343 2.336 2.955 0.000 0.000 0.000 3/39600 790.0 2.313 2.306 2.918 0.000 0.000 0.000 3/39600 800.0 2.283 2.277 2.883 0.000 0.000 0.000 3/39600 810.0 2.255 2.249 2.848 0.000 0.000 0.000 3/39600 820.0 2.227 2.221 2.814 0.000 0.000 0.000 3/39600 830.0 2.200 2.194 2.780 0.000 0.000 0.000 3/39600 840.0 2.173 2.168 2.748 0.000 0.000 0.000 3/39600 850.0 2.148 2.142 2.716 0.000 0.000 0.000 3/39600 860.0 2.122 2.117 2.685 0.000 0.000 0.000 3/39600 870.0 2.098 2.092 2.655 0.000 0.000 0.000 3/39600 880.0 2.074 2.068 2.625 0.000 0.000 0.000 3/39600 890.0 2.050 2.045 2.596 0.000 0.000 0.000 3/39600 900.0 2.027 2.022 2.568 0.000 0.000 0.000 3/39600 910.0 2.005 1.999 2.540 0.000 0.000 0.000 3/39600 920.0 1.983 1.978 2.513 0.000 0.000 0.000 3/39600 930.0 1.962 1.956 2.487 0.000 0.000 0.000 3/39600 940.0 1.941 1.935 2.461 0.000 0.000 0.000 3/39600 950.0 1.920 1.915 2.435 0.000 0.000 0.000 3/39600 960.0 1.900 1.895 2.410 0.000 0.000 0.000 3/39600 970.0 1.880 1.875 2.386 0.000 0.000 0.000 3/39600 980.0 1.861 1.856 2.362 0.000 0.000 0.000 3/39600 990.0 1.842 1.837 2.339 0.000 0.000 0.000 3/39600 1000.0 1.824 1.818 2.316 0.000 0.000 0.000 3/39600 Thermal conductivity related properties were written into "kappa-m5611.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:35:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|