----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:46:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.880673460332202 0.000000000000000 0.000000000000000 b 0.000000000000000 7.231159920000001 0.000000000000000 c -4.096216327735710 0.000000000000000 13.555251705385398 Atomic positions (fractional): *1 O 0.50595545981219 0.18954457073822 0.38918732854148 15.999 2 O 0.49404454018781 0.68954457073822 0.11081267145852 15.999 3 O 0.49404454018781 0.81045542926178 0.61081267145852 15.999 4 O 0.50595545981219 0.31045542926178 0.88918732854148 15.999 *5 O 0.96992668261898 0.45647414017160 0.36880847702123 15.999 6 O 0.03007331738102 0.95647414017160 0.13119152297877 15.999 7 O 0.03007331738102 0.54352585982840 0.63119152297877 15.999 8 O 0.96992668261898 0.04352585982840 0.86880847702123 15.999 *9 O 0.36483391188470 0.34158795398398 0.62204281156172 15.999 10 O 0.63516608811530 0.84158795398398 0.87795718843828 15.999 11 O 0.63516608811530 0.65841204601602 0.37795718843828 15.999 12 O 0.36483391188470 0.15841204601602 0.12204281156172 15.999 *13 O 0.89351494903565 0.07175894591959 0.60226988461796 15.999 14 O 0.10648505096435 0.57175894591959 0.89773011538204 15.999 15 O 0.10648505096435 0.92824105408041 0.39773011538205 15.999 16 O 0.89351494903565 0.42824105408041 0.10226988461795 15.999 *17 Cu 0.56741394602552 0.42077394507889 0.37867176408140 63.546 *18 Cu 0.03842443222039 0.80528835777555 0.88017926930506 63.546 19 Cu 0.96157556777961 0.19471164222445 0.11982073069494 63.546 20 Cu 0.03842443222039 0.69471164222445 0.38017926930506 63.546 *21 Cu 0.79937209006028 0.94340916232085 0.86566381478634 63.546 22 Cu 0.20062790993972 0.44340916232085 0.63433618521366 63.546 23 Cu 0.20062790993972 0.05659083767915 0.13433618521366 63.546 24 Cu 0.79937209006028 0.55659083767915 0.36566381478634 63.546 *25 Cu 0.56389842418291 0.82621932729554 0.74307248418552 63.546 26 Cu 0.43610157581709 0.32621932729554 0.75692751581448 63.546 27 Cu 0.43610157581709 0.17378067270446 0.25692751581448 63.546 28 Cu 0.56389842418291 0.67378067270446 0.24307248418552 63.546 *29 Cu 0.93161412664637 0.05297099828276 0.73497970163064 63.546 30 Cu 0.06838587335363 0.55297099828276 0.76502029836936 63.546 31 Cu 0.06838587335363 0.94702900171724 0.26502029836936 63.546 32 Cu 0.93161412664637 0.44702900171724 0.23497970163064 63.546 33 Cu 0.43258605397448 0.57922605492111 0.62132823591860 63.546 34 Cu 0.56741394602552 0.07922605492111 0.87867176408140 63.546 35 Cu 0.96157556777961 0.30528835777555 0.61982073069494 63.546 36 Cu 0.43258605397448 0.92077394507889 0.12132823591860 63.546 *37 Rb 0.60479051341196 0.16878733336950 0.59453248389024 85.468 38 Rb 0.39520948658804 0.66878733336950 0.90546751610976 85.468 39 Rb 0.39520948658804 0.83121266663050 0.40546751610976 85.468 40 Rb 0.60479051341196 0.33121266663051 0.09453248389024 85.468 *41 Rb 0.76984234248769 0.78583517233838 0.08486213198591 85.468 42 Rb 0.23015765751232 0.28583517233838 0.41513786801409 85.468 43 Rb 0.23015765751232 0.21416482766162 0.91513786801409 85.468 44 Rb 0.76984234248769 0.71416482766162 0.58486213198591 85.468 *45 Rb 0.82292280937540 0.08169343852741 0.39178417573811 85.468 46 Rb 0.17707719062460 0.58169343852741 0.10821582426189 85.468 47 Rb 0.17707719062460 0.91830656147259 0.60821582426189 85.468 48 Rb 0.82292280937540 0.41830656147258 0.89178417573811 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.880673460332202 0.000000000000000 0.000000000000000 b 0.000000000000000 7.231159920000001 0.000000000000000 c -4.096216327735710 0.000000000000000 13.555251705385398 Atomic positions (fractional): *1 O 0.50595545981219 0.18954457073822 0.38918732854148 15.999 > 1 2 O 0.49404454018781 0.68954457073822 0.11081267145852 15.999 > 2 3 O 0.49404454018781 0.81045542926178 0.61081267145852 15.999 > 3 4 O 0.50595545981219 0.31045542926178 0.88918732854148 15.999 > 4 *5 O 0.96992668261898 0.45647414017160 0.36880847702123 15.999 > 5 6 O 0.03007331738102 0.95647414017160 0.13119152297877 15.999 > 6 7 O 0.03007331738102 0.54352585982840 0.63119152297877 15.999 > 7 8 O 0.96992668261898 0.04352585982840 0.86880847702123 15.999 > 8 *9 O 0.36483391188470 0.34158795398398 0.62204281156172 15.999 > 9 10 O 0.63516608811530 0.84158795398398 0.87795718843828 15.999 > 10 11 O 0.63516608811530 0.65841204601602 0.37795718843828 15.999 > 11 12 O 0.36483391188470 0.15841204601602 0.12204281156172 15.999 > 12 *13 O 0.89351494903565 0.07175894591959 0.60226988461796 15.999 > 13 14 O 0.10648505096435 0.57175894591959 0.89773011538204 15.999 > 14 15 O 0.10648505096435 0.92824105408041 0.39773011538205 15.999 > 15 16 O 0.89351494903565 0.42824105408041 0.10226988461795 15.999 > 16 *17 Cu 0.56741394602552 0.42077394507889 0.37867176408140 63.546 > 17 *18 Cu 0.03842443222039 0.80528835777555 0.88017926930506 63.546 > 18 19 Cu 0.96157556777961 0.19471164222445 0.11982073069494 63.546 > 19 20 Cu 0.03842443222039 0.69471164222445 0.38017926930506 63.546 > 20 *21 Cu 0.79937209006028 0.94340916232085 0.86566381478634 63.546 > 21 22 Cu 0.20062790993972 0.44340916232085 0.63433618521366 63.546 > 22 23 Cu 0.20062790993972 0.05659083767915 0.13433618521366 63.546 > 23 24 Cu 0.79937209006028 0.55659083767915 0.36566381478634 63.546 > 24 *25 Cu 0.56389842418291 0.82621932729554 0.74307248418552 63.546 > 25 26 Cu 0.43610157581709 0.32621932729554 0.75692751581448 63.546 > 26 27 Cu 0.43610157581709 0.17378067270446 0.25692751581448 63.546 > 27 28 Cu 0.56389842418291 0.67378067270446 0.24307248418552 63.546 > 28 *29 Cu 0.93161412664637 0.05297099828276 0.73497970163064 63.546 > 29 30 Cu 0.06838587335363 0.55297099828276 0.76502029836936 63.546 > 30 31 Cu 0.06838587335363 0.94702900171724 0.26502029836936 63.546 > 31 32 Cu 0.93161412664637 0.44702900171724 0.23497970163064 63.546 > 32 33 Cu 0.43258605397448 0.57922605492111 0.62132823591860 63.546 > 33 34 Cu 0.56741394602552 0.07922605492111 0.87867176408140 63.546 > 34 35 Cu 0.96157556777961 0.30528835777555 0.61982073069494 63.546 > 35 36 Cu 0.43258605397448 0.92077394507889 0.12132823591860 63.546 > 36 *37 Rb 0.60479051341196 0.16878733336950 0.59453248389024 85.468 > 37 38 Rb 0.39520948658804 0.66878733336950 0.90546751610976 85.468 > 38 39 Rb 0.39520948658804 0.83121266663050 0.40546751610976 85.468 > 39 40 Rb 0.60479051341196 0.33121266663051 0.09453248389024 85.468 > 40 *41 Rb 0.76984234248769 0.78583517233838 0.08486213198591 85.468 > 41 42 Rb 0.23015765751232 0.28583517233838 0.41513786801409 85.468 > 42 43 Rb 0.23015765751232 0.21416482766162 0.91513786801409 85.468 > 43 44 Rb 0.76984234248769 0.71416482766162 0.58486213198591 85.468 > 44 *45 Rb 0.82292280937540 0.08169343852741 0.39178417573811 85.468 > 45 46 Rb 0.17707719062460 0.58169343852741 0.10821582426189 85.468 > 46 47 Rb 0.17707719062460 0.91830656147259 0.60821582426189 85.468 > 47 48 Rb 0.82292280937540 0.41830656147258 0.89178417573811 85.468 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.880673460332202 0.000000000000000 0.000000000000000 b 0.000000000000000 14.462319840000003 0.000000000000000 c -4.096216327735710 0.000000000000000 13.555251705385398 Atomic positions (fractional): *1 O 0.50595545981219 0.09477228536911 0.38918732854148 15.999 > 1 2 O 0.50595545981219 0.59477228536911 0.38918732854148 15.999 > 1 3 O 0.49404454018781 0.34477228536911 0.11081267145852 15.999 > 2 4 O 0.49404454018781 0.84477228536911 0.11081267145852 15.999 > 2 5 O 0.49404454018781 0.40522771463089 0.61081267145852 15.999 > 3 6 O 0.49404454018781 0.90522771463089 0.61081267145852 15.999 > 3 7 O 0.50595545981219 0.15522771463089 0.88918732854148 15.999 > 4 8 O 0.50595545981219 0.65522771463089 0.88918732854148 15.999 > 4 *9 O 0.96992668261898 0.22823707008580 0.36880847702123 15.999 > 5 10 O 0.96992668261898 0.72823707008580 0.36880847702123 15.999 > 5 11 O 0.03007331738102 0.47823707008580 0.13119152297877 15.999 > 6 12 O 0.03007331738102 0.97823707008580 0.13119152297877 15.999 > 6 13 O 0.03007331738102 0.27176292991420 0.63119152297877 15.999 > 7 14 O 0.03007331738102 0.77176292991420 0.63119152297877 15.999 > 7 15 O 0.96992668261898 0.02176292991420 0.86880847702123 15.999 > 8 16 O 0.96992668261898 0.52176292991420 0.86880847702123 15.999 > 8 *17 O 0.36483391188470 0.17079397699199 0.62204281156172 15.999 > 9 18 O 0.36483391188470 0.67079397699199 0.62204281156172 15.999 > 9 19 O 0.63516608811530 0.42079397699199 0.87795718843828 15.999 > 10 20 O 0.63516608811530 0.92079397699199 0.87795718843828 15.999 > 10 21 O 0.63516608811530 0.32920602300801 0.37795718843828 15.999 > 11 22 O 0.63516608811530 0.82920602300801 0.37795718843828 15.999 > 11 23 O 0.36483391188470 0.07920602300801 0.12204281156172 15.999 > 12 24 O 0.36483391188470 0.57920602300801 0.12204281156172 15.999 > 12 *25 O 0.89351494903565 0.03587947295980 0.60226988461796 15.999 > 13 26 O 0.89351494903565 0.53587947295980 0.60226988461796 15.999 > 13 27 O 0.10648505096435 0.28587947295980 0.89773011538204 15.999 > 14 28 O 0.10648505096435 0.78587947295980 0.89773011538204 15.999 > 14 29 O 0.10648505096435 0.46412052704020 0.39773011538205 15.999 > 15 30 O 0.10648505096435 0.96412052704020 0.39773011538205 15.999 > 15 31 O 0.89351494903565 0.21412052704020 0.10226988461795 15.999 > 16 32 O 0.89351494903565 0.71412052704020 0.10226988461795 15.999 > 16 *33 Cu 0.56741394602552 0.21038697253944 0.37867176408140 63.546 > 17 34 Cu 0.56741394602552 0.71038697253944 0.37867176408140 63.546 > 17 *35 Cu 0.03842443222039 0.40264417888778 0.88017926930506 63.546 > 18 36 Cu 0.03842443222039 0.90264417888778 0.88017926930506 63.546 > 18 37 Cu 0.96157556777961 0.09735582111222 0.11982073069494 63.546 > 19 38 Cu 0.96157556777961 0.59735582111222 0.11982073069494 63.546 > 19 39 Cu 0.03842443222039 0.34735582111222 0.38017926930506 63.546 > 20 40 Cu 0.03842443222039 0.84735582111222 0.38017926930506 63.546 > 20 *41 Cu 0.79937209006028 0.47170458116043 0.86566381478634 63.546 > 21 42 Cu 0.79937209006028 0.97170458116043 0.86566381478634 63.546 > 21 43 Cu 0.20062790993972 0.22170458116043 0.63433618521366 63.546 > 22 44 Cu 0.20062790993972 0.72170458116043 0.63433618521366 63.546 > 22 45 Cu 0.20062790993972 0.02829541883957 0.13433618521366 63.546 > 23 46 Cu 0.20062790993972 0.52829541883957 0.13433618521366 63.546 > 23 47 Cu 0.79937209006028 0.27829541883957 0.36566381478634 63.546 > 24 48 Cu 0.79937209006028 0.77829541883957 0.36566381478634 63.546 > 24 *49 Cu 0.56389842418291 0.41310966364777 0.74307248418552 63.546 > 25 50 Cu 0.56389842418291 0.91310966364777 0.74307248418552 63.546 > 25 51 Cu 0.43610157581709 0.16310966364777 0.75692751581448 63.546 > 26 52 Cu 0.43610157581709 0.66310966364777 0.75692751581448 63.546 > 26 53 Cu 0.43610157581709 0.08689033635223 0.25692751581448 63.546 > 27 54 Cu 0.43610157581709 0.58689033635223 0.25692751581448 63.546 > 27 55 Cu 0.56389842418291 0.33689033635223 0.24307248418552 63.546 > 28 56 Cu 0.56389842418291 0.83689033635223 0.24307248418552 63.546 > 28 *57 Cu 0.93161412664637 0.02648549914138 0.73497970163064 63.546 > 29 58 Cu 0.93161412664637 0.52648549914138 0.73497970163064 63.546 > 29 59 Cu 0.06838587335363 0.27648549914138 0.76502029836936 63.546 > 30 60 Cu 0.06838587335363 0.77648549914138 0.76502029836936 63.546 > 30 61 Cu 0.06838587335363 0.47351450085862 0.26502029836936 63.546 > 31 62 Cu 0.06838587335363 0.97351450085862 0.26502029836936 63.546 > 31 63 Cu 0.93161412664637 0.22351450085862 0.23497970163064 63.546 > 32 64 Cu 0.93161412664637 0.72351450085862 0.23497970163064 63.546 > 32 65 Cu 0.43258605397448 0.28961302746056 0.62132823591860 63.546 > 33 66 Cu 0.43258605397448 0.78961302746056 0.62132823591860 63.546 > 33 67 Cu 0.56741394602552 0.03961302746055 0.87867176408140 63.546 > 34 68 Cu 0.56741394602552 0.53961302746055 0.87867176408140 63.546 > 34 69 Cu 0.96157556777961 0.15264417888778 0.61982073069494 63.546 > 35 70 Cu 0.96157556777961 0.65264417888778 0.61982073069494 63.546 > 35 71 Cu 0.43258605397448 0.46038697253944 0.12132823591860 63.546 > 36 72 Cu 0.43258605397448 0.96038697253944 0.12132823591860 63.546 > 36 *73 Rb 0.60479051341196 0.08439366668475 0.59453248389024 85.468 > 37 74 Rb 0.60479051341196 0.58439366668475 0.59453248389024 85.468 > 37 75 Rb 0.39520948658804 0.33439366668475 0.90546751610976 85.468 > 38 76 Rb 0.39520948658804 0.83439366668475 0.90546751610976 85.468 > 38 77 Rb 0.39520948658804 0.41560633331525 0.40546751610976 85.468 > 39 78 Rb 0.39520948658804 0.91560633331525 0.40546751610976 85.468 > 39 79 Rb 0.60479051341196 0.16560633331525 0.09453248389024 85.468 > 40 80 Rb 0.60479051341196 0.66560633331525 0.09453248389024 85.468 > 40 *81 Rb 0.76984234248769 0.39291758616919 0.08486213198591 85.468 > 41 82 Rb 0.76984234248769 0.89291758616919 0.08486213198591 85.468 > 41 83 Rb 0.23015765751232 0.14291758616919 0.41513786801409 85.468 > 42 84 Rb 0.23015765751232 0.64291758616919 0.41513786801409 85.468 > 42 85 Rb 0.23015765751232 0.10708241383081 0.91513786801409 85.468 > 43 86 Rb 0.23015765751232 0.60708241383081 0.91513786801409 85.468 > 43 87 Rb 0.76984234248769 0.35708241383081 0.58486213198591 85.468 > 44 88 Rb 0.76984234248769 0.85708241383081 0.58486213198591 85.468 > 44 *89 Rb 0.82292280937540 0.04084671926371 0.39178417573811 85.468 > 45 90 Rb 0.82292280937540 0.54084671926371 0.39178417573811 85.468 > 45 91 Rb 0.17707719062460 0.29084671926371 0.10821582426189 85.468 > 46 92 Rb 0.17707719062460 0.79084671926371 0.10821582426189 85.468 > 46 93 Rb 0.17707719062460 0.45915328073629 0.60821582426189 85.468 > 47 94 Rb 0.17707719062460 0.95915328073629 0.60821582426189 85.468 > 47 95 Rb 0.82292280937540 0.20915328073629 0.89178417573811 85.468 > 48 96 Rb 0.82292280937540 0.70915328073629 0.89178417573811 85.468 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3163473 0.0000000 0.0133722 0.0000000 4.3163020 0.0000000 0.0133694 0.0000000 4.0314420 -------------------------- Born effective charges -------------------------- 1 O -1.0450151 -0.5617306 -0.0958154 -0.4088683 -1.6874269 -0.1334889 0.0377412 0.1364014 -1.6836422 2 O -1.0450151 0.5617306 -0.0958154 0.4088683 -1.6874269 0.1334889 0.0377412 -0.1364014 -1.6836422 3 O -1.0450151 -0.5617306 -0.0958154 -0.4088683 -1.6874269 -0.1334889 0.0377412 0.1364014 -1.6836422 4 O -1.0450151 0.5617306 -0.0958154 0.4088683 -1.6874269 0.1334889 0.0377412 -0.1364014 -1.6836422 5 O -1.1447744 0.0784207 0.0621000 0.0116125 -1.2027709 -0.1001201 -0.0824709 0.1066003 -1.0848823 6 O -1.1447744 -0.0784207 0.0621000 -0.0116125 -1.2027709 0.1001201 -0.0824709 -0.1066003 -1.0848823 7 O -1.1447744 0.0784207 0.0621000 0.0116125 -1.2027709 -0.1001201 -0.0824709 0.1066003 -1.0848823 8 O -1.1447744 -0.0784207 0.0621000 -0.0116125 -1.2027709 0.1001201 -0.0824709 -0.1066003 -1.0848823 9 O -1.1850129 0.0621119 -0.0709268 0.0017574 -1.1457015 0.0697297 0.0718201 -0.1531077 -1.0793036 10 O -1.1850129 -0.0621119 -0.0709268 -0.0017574 -1.1457015 -0.0697297 0.0718201 0.1531077 -1.0793036 11 O -1.1850129 0.0621119 -0.0709268 0.0017574 -1.1457015 0.0697297 0.0718201 -0.1531077 -1.0793036 12 O -1.1850129 -0.0621119 -0.0709268 -0.0017574 -1.1457015 -0.0697297 0.0718201 0.1531077 -1.0793036 13 O -1.0414405 -0.4815341 0.1090476 -0.3283381 -1.7074510 0.0830447 -0.0322845 -0.1814401 -1.6498473 14 O -1.0414405 0.4815341 0.1090476 0.3283381 -1.7074510 -0.0830447 -0.0322845 0.1814401 -1.6498473 15 O -1.0414405 -0.4815341 0.1090476 -0.3283381 -1.7074510 0.0830447 -0.0322845 -0.1814401 -1.6498473 16 O -1.0414405 0.4815341 0.1090476 0.3283381 -1.7074510 -0.0830447 -0.0322845 0.1814401 -1.6498473 17 Cu -0.1142773 0.8250565 -0.0656072 0.6267540 1.2615489 -0.0936460 -0.0305988 -0.0534871 -0.4353906 18 Cu -0.1612997 -0.7737396 0.1076297 -0.5785728 1.2095679 -0.1149770 0.0445702 -0.0954096 -0.3606289 19 Cu -0.1612997 -0.7737396 0.1076297 -0.5785728 1.2095679 -0.1149770 0.0445702 -0.0954096 -0.3606289 20 Cu -0.1612997 0.7737396 0.1076297 0.5785728 1.2095679 0.1149770 0.0445702 0.0954096 -0.3606289 21 Cu 1.2517062 0.4896158 0.0041848 0.3006639 -0.0385145 0.0223268 0.0177665 0.0335798 -0.0529267 22 Cu 1.2517062 -0.4896158 0.0041848 -0.3006639 -0.0385145 -0.0223268 0.0177665 -0.0335798 -0.0529267 23 Cu 1.2517062 0.4896158 0.0041848 0.3006639 -0.0385145 0.0223268 0.0177665 0.0335798 -0.0529267 24 Cu 1.2517062 -0.4896158 0.0041848 -0.3006639 -0.0385145 -0.0223268 0.0177665 -0.0335798 -0.0529267 25 Cu -0.3142495 0.0835145 0.3626101 0.0621495 -0.2154386 0.4366151 0.1403325 0.0942578 1.1696134 26 Cu -0.3142495 -0.0835145 0.3626101 -0.0621495 -0.2154386 -0.4366151 0.1403325 -0.0942578 1.1696134 27 Cu -0.3142495 0.0835145 0.3626101 0.0621495 -0.2154386 0.4366151 0.1403325 0.0942578 1.1696134 28 Cu -0.3142495 -0.0835145 0.3626101 -0.0621495 -0.2154386 -0.4366151 0.1403325 -0.0942578 1.1696134 29 Cu -0.3682242 0.0889496 -0.3870458 0.0673049 -0.1941083 -0.4464236 -0.1526108 -0.1585275 1.2012022 30 Cu -0.3682242 -0.0889496 -0.3870458 -0.0673049 -0.1941083 0.4464236 -0.1526108 0.1585275 1.2012022 31 Cu -0.3682242 0.0889496 -0.3870458 0.0673049 -0.1941083 -0.4464236 -0.1526108 -0.1585275 1.2012022 32 Cu -0.3682242 -0.0889496 -0.3870458 -0.0673049 -0.1941083 0.4464236 -0.1526108 0.1585275 1.2012022 33 Cu -0.1142773 0.8250565 -0.0656072 0.6267540 1.2615489 -0.0936460 -0.0305988 -0.0534871 -0.4353906 34 Cu -0.1142773 -0.8250565 -0.0656072 -0.6267540 1.2615489 0.0936460 -0.0305988 0.0534871 -0.4353906 35 Cu -0.1612997 0.7737396 0.1076297 0.5785728 1.2095679 0.1149770 0.0445702 0.0954096 -0.3606289 36 Cu -0.1142773 -0.8250565 -0.0656072 -0.6267540 1.2615489 0.0936460 -0.0305988 0.0534871 -0.4353906 37 Rb 1.4074442 -0.0586718 -0.0895001 -0.0479649 1.1694970 -0.1793317 -0.0578257 -0.1626914 1.3515240 38 Rb 1.4074442 0.0586718 -0.0895001 0.0479649 1.1694970 0.1793317 -0.0578257 0.1626914 1.3515240 39 Rb 1.4074442 -0.0586718 -0.0895001 -0.0479649 1.1694970 -0.1793317 -0.0578257 -0.1626914 1.3515240 40 Rb 1.4074442 0.0586718 -0.0895001 0.0479649 1.1694970 0.1793317 -0.0578257 0.1626914 1.3515240 41 Rb 1.4366554 0.0931391 0.0615129 0.0718238 1.2089284 -0.1853851 0.0566726 -0.1972327 1.3628370 42 Rb 1.4366554 -0.0931391 0.0615129 -0.0718238 1.2089284 0.1853851 0.0566726 0.1972327 1.3628370 43 Rb 1.4366554 0.0931391 0.0615129 0.0718238 1.2089284 -0.1853851 0.0566726 -0.1972327 1.3628370 44 Rb 1.4366554 -0.0931391 0.0615129 -0.0718238 1.2089284 0.1853851 0.0566726 0.1972327 1.3628370 45 Rb 1.2784878 -0.0278664 0.0018103 -0.0924854 1.3418695 0.0536734 -0.0131123 0.0464423 1.2614450 46 Rb 1.2784878 0.0278664 0.0018103 0.0924854 1.3418695 -0.0536734 -0.0131123 -0.0464423 1.2614450 47 Rb 1.2784878 -0.0278664 0.0018103 -0.0924854 1.3418695 0.0536734 -0.0131123 0.0464423 1.2614450 48 Rb 1.2784878 0.0278664 0.0018103 0.0924854 1.3418695 -0.0536734 -0.0131123 -0.0464423 1.2614450 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 41), data: (1152, 65) @ (65, 41) |-- (152, 132), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 230), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 41), data: (1152, 65) @ (65, 41) |-- (152, 132), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 230), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.169 Solver_block: 200 / 1440 - Time: 0.988 Solver_block: 300 / 1440 - Time: 0.990 Solver_block: 400 / 1440 - Time: 0.992 Solver_block: 500 / 1440 - Time: 0.988 Solver_block: 600 / 1440 - Time: 0.991 Solver_block: 700 / 1440 - Time: 0.993 Solver_block: 800 / 1440 - Time: 0.991 Solver_block: 900 / 1440 - Time: 0.991 Solver_block: 1000 / 1440 - Time: 0.989 Solver_block: 1100 / 1440 - Time: 0.991 Solver_block: 1200 / 1440 - Time: 0.992 Solver_block: 1300 / 1440 - Time: 0.989 Solver_block: 1400 / 1440 - Time: 0.990 Solver_block: 1440 / 1440 - Time: 0.510 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.963 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 65 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 41), data: (1152, 65) @ (65, 41) |-- (152, 132), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 230), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 41), data: (1152, 65) @ (65, 41) |-- (152, 132), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 230), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yx) 0.00000000 (yx) 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 2026-01-07 22:47:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:47:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.880673460332202 0.000000000000000 0.000000000000000 b 0.000000000000000 7.231159920000001 0.000000000000000 c -4.096216327735710 0.000000000000000 13.555251705385398 Atomic positions (fractional): 1 O 0.50595545981219 0.18954457073822 0.38918732854148 15.999 2 O 0.49404454018781 0.68954457073822 0.11081267145852 15.999 3 O 0.49404454018781 0.81045542926178 0.61081267145852 15.999 4 O 0.50595545981219 0.31045542926178 0.88918732854148 15.999 5 O 0.96992668261898 0.45647414017160 0.36880847702123 15.999 6 O 0.03007331738102 0.95647414017160 0.13119152297877 15.999 7 O 0.03007331738102 0.54352585982840 0.63119152297877 15.999 8 O 0.96992668261898 0.04352585982840 0.86880847702123 15.999 9 O 0.36483391188470 0.34158795398398 0.62204281156172 15.999 10 O 0.63516608811530 0.84158795398398 0.87795718843828 15.999 11 O 0.63516608811530 0.65841204601602 0.37795718843828 15.999 12 O 0.36483391188470 0.15841204601602 0.12204281156172 15.999 13 O 0.89351494903565 0.07175894591959 0.60226988461796 15.999 14 O 0.10648505096435 0.57175894591959 0.89773011538204 15.999 15 O 0.10648505096435 0.92824105408041 0.39773011538205 15.999 16 O 0.89351494903565 0.42824105408041 0.10226988461795 15.999 17 Cu 0.56741394602552 0.42077394507889 0.37867176408140 63.546 18 Cu 0.03842443222039 0.80528835777555 0.88017926930506 63.546 19 Cu 0.96157556777961 0.19471164222445 0.11982073069494 63.546 20 Cu 0.03842443222039 0.69471164222445 0.38017926930506 63.546 21 Cu 0.79937209006028 0.94340916232085 0.86566381478634 63.546 22 Cu 0.20062790993972 0.44340916232085 0.63433618521366 63.546 23 Cu 0.20062790993972 0.05659083767915 0.13433618521366 63.546 24 Cu 0.79937209006028 0.55659083767915 0.36566381478634 63.546 25 Cu 0.56389842418291 0.82621932729554 0.74307248418552 63.546 26 Cu 0.43610157581709 0.32621932729554 0.75692751581448 63.546 27 Cu 0.43610157581709 0.17378067270446 0.25692751581448 63.546 28 Cu 0.56389842418291 0.67378067270446 0.24307248418552 63.546 29 Cu 0.93161412664637 0.05297099828276 0.73497970163064 63.546 30 Cu 0.06838587335363 0.55297099828276 0.76502029836936 63.546 31 Cu 0.06838587335363 0.94702900171724 0.26502029836936 63.546 32 Cu 0.93161412664637 0.44702900171724 0.23497970163064 63.546 33 Cu 0.43258605397448 0.57922605492111 0.62132823591860 63.546 34 Cu 0.56741394602552 0.07922605492111 0.87867176408140 63.546 35 Cu 0.96157556777961 0.30528835777555 0.61982073069494 63.546 36 Cu 0.43258605397448 0.92077394507889 0.12132823591860 63.546 37 Rb 0.60479051341196 0.16878733336950 0.59453248389024 85.468 38 Rb 0.39520948658804 0.66878733336950 0.90546751610976 85.468 39 Rb 0.39520948658804 0.83121266663050 0.40546751610976 85.468 40 Rb 0.60479051341196 0.33121266663051 0.09453248389024 85.468 41 Rb 0.76984234248769 0.78583517233838 0.08486213198591 85.468 42 Rb 0.23015765751232 0.28583517233838 0.41513786801409 85.468 43 Rb 0.23015765751232 0.21416482766162 0.91513786801409 85.468 44 Rb 0.76984234248769 0.71416482766162 0.58486213198591 85.468 45 Rb 0.82292280937540 0.08169343852741 0.39178417573811 85.468 46 Rb 0.17707719062460 0.58169343852741 0.10821582426189 85.468 47 Rb 0.17707719062460 0.91830656147259 0.60821582426189 85.468 48 Rb 0.82292280937540 0.41830656147258 0.89178417573811 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.880673460332202 0.000000000000000 0.000000000000000 b 0.000000000000000 14.462319840000003 0.000000000000000 c -4.096216327735710 0.000000000000000 13.555251705385398 Atomic positions (fractional): 1 O 0.50595545981219 0.09477228536911 0.38918732854148 15.999 > 1 2 O 0.50595545981219 0.59477228536911 0.38918732854148 15.999 > 1 3 O 0.49404454018781 0.34477228536911 0.11081267145852 15.999 > 3 4 O 0.49404454018781 0.84477228536911 0.11081267145852 15.999 > 3 5 O 0.49404454018781 0.40522771463089 0.61081267145852 15.999 > 5 6 O 0.49404454018781 0.90522771463089 0.61081267145852 15.999 > 5 7 O 0.50595545981219 0.15522771463089 0.88918732854148 15.999 > 7 8 O 0.50595545981219 0.65522771463089 0.88918732854148 15.999 > 7 9 O 0.96992668261898 0.22823707008580 0.36880847702123 15.999 > 9 10 O 0.96992668261898 0.72823707008580 0.36880847702123 15.999 > 9 11 O 0.03007331738102 0.47823707008580 0.13119152297877 15.999 > 11 12 O 0.03007331738102 0.97823707008580 0.13119152297877 15.999 > 11 13 O 0.03007331738102 0.27176292991420 0.63119152297877 15.999 > 13 14 O 0.03007331738102 0.77176292991420 0.63119152297877 15.999 > 13 15 O 0.96992668261898 0.02176292991420 0.86880847702123 15.999 > 15 16 O 0.96992668261898 0.52176292991420 0.86880847702123 15.999 > 15 17 O 0.36483391188470 0.17079397699199 0.62204281156172 15.999 > 17 18 O 0.36483391188470 0.67079397699199 0.62204281156172 15.999 > 17 19 O 0.63516608811530 0.42079397699199 0.87795718843828 15.999 > 19 20 O 0.63516608811530 0.92079397699199 0.87795718843828 15.999 > 19 21 O 0.63516608811530 0.32920602300801 0.37795718843828 15.999 > 21 22 O 0.63516608811530 0.82920602300801 0.37795718843828 15.999 > 21 23 O 0.36483391188470 0.07920602300801 0.12204281156172 15.999 > 23 24 O 0.36483391188470 0.57920602300801 0.12204281156172 15.999 > 23 25 O 0.89351494903565 0.03587947295980 0.60226988461796 15.999 > 25 26 O 0.89351494903565 0.53587947295980 0.60226988461796 15.999 > 25 27 O 0.10648505096435 0.28587947295980 0.89773011538204 15.999 > 27 28 O 0.10648505096435 0.78587947295980 0.89773011538204 15.999 > 27 29 O 0.10648505096435 0.46412052704020 0.39773011538205 15.999 > 29 30 O 0.10648505096435 0.96412052704020 0.39773011538205 15.999 > 29 31 O 0.89351494903565 0.21412052704020 0.10226988461795 15.999 > 31 32 O 0.89351494903565 0.71412052704020 0.10226988461795 15.999 > 31 33 Cu 0.56741394602552 0.21038697253944 0.37867176408140 63.546 > 33 34 Cu 0.56741394602552 0.71038697253944 0.37867176408140 63.546 > 33 35 Cu 0.03842443222039 0.40264417888778 0.88017926930506 63.546 > 35 36 Cu 0.03842443222039 0.90264417888778 0.88017926930506 63.546 > 35 37 Cu 0.96157556777961 0.09735582111222 0.11982073069494 63.546 > 37 38 Cu 0.96157556777961 0.59735582111222 0.11982073069494 63.546 > 37 39 Cu 0.03842443222039 0.34735582111222 0.38017926930506 63.546 > 39 40 Cu 0.03842443222039 0.84735582111222 0.38017926930506 63.546 > 39 41 Cu 0.79937209006028 0.47170458116043 0.86566381478634 63.546 > 41 42 Cu 0.79937209006028 0.97170458116043 0.86566381478634 63.546 > 41 43 Cu 0.20062790993972 0.22170458116043 0.63433618521366 63.546 > 43 44 Cu 0.20062790993972 0.72170458116043 0.63433618521366 63.546 > 43 45 Cu 0.20062790993972 0.02829541883957 0.13433618521366 63.546 > 45 46 Cu 0.20062790993972 0.52829541883957 0.13433618521366 63.546 > 45 47 Cu 0.79937209006028 0.27829541883957 0.36566381478634 63.546 > 47 48 Cu 0.79937209006028 0.77829541883957 0.36566381478634 63.546 > 47 49 Cu 0.56389842418291 0.41310966364777 0.74307248418552 63.546 > 49 50 Cu 0.56389842418291 0.91310966364777 0.74307248418552 63.546 > 49 51 Cu 0.43610157581709 0.16310966364777 0.75692751581448 63.546 > 51 52 Cu 0.43610157581709 0.66310966364777 0.75692751581448 63.546 > 51 53 Cu 0.43610157581709 0.08689033635223 0.25692751581448 63.546 > 53 54 Cu 0.43610157581709 0.58689033635223 0.25692751581448 63.546 > 53 55 Cu 0.56389842418291 0.33689033635223 0.24307248418552 63.546 > 55 56 Cu 0.56389842418291 0.83689033635223 0.24307248418552 63.546 > 55 57 Cu 0.93161412664637 0.02648549914138 0.73497970163064 63.546 > 57 58 Cu 0.93161412664637 0.52648549914138 0.73497970163064 63.546 > 57 59 Cu 0.06838587335363 0.27648549914138 0.76502029836936 63.546 > 59 60 Cu 0.06838587335363 0.77648549914138 0.76502029836936 63.546 > 59 61 Cu 0.06838587335363 0.47351450085862 0.26502029836936 63.546 > 61 62 Cu 0.06838587335363 0.97351450085862 0.26502029836936 63.546 > 61 63 Cu 0.93161412664637 0.22351450085862 0.23497970163064 63.546 > 63 64 Cu 0.93161412664637 0.72351450085862 0.23497970163064 63.546 > 63 65 Cu 0.43258605397448 0.28961302746056 0.62132823591860 63.546 > 65 66 Cu 0.43258605397448 0.78961302746056 0.62132823591860 63.546 > 65 67 Cu 0.56741394602552 0.03961302746055 0.87867176408140 63.546 > 67 68 Cu 0.56741394602552 0.53961302746055 0.87867176408140 63.546 > 67 69 Cu 0.96157556777961 0.15264417888778 0.61982073069494 63.546 > 69 70 Cu 0.96157556777961 0.65264417888778 0.61982073069494 63.546 > 69 71 Cu 0.43258605397448 0.46038697253944 0.12132823591860 63.546 > 71 72 Cu 0.43258605397448 0.96038697253944 0.12132823591860 63.546 > 71 73 Rb 0.60479051341196 0.08439366668475 0.59453248389024 85.468 > 73 74 Rb 0.60479051341196 0.58439366668475 0.59453248389024 85.468 > 73 75 Rb 0.39520948658804 0.33439366668475 0.90546751610976 85.468 > 75 76 Rb 0.39520948658804 0.83439366668475 0.90546751610976 85.468 > 75 77 Rb 0.39520948658804 0.41560633331525 0.40546751610976 85.468 > 77 78 Rb 0.39520948658804 0.91560633331525 0.40546751610976 85.468 > 77 79 Rb 0.60479051341196 0.16560633331525 0.09453248389024 85.468 > 79 80 Rb 0.60479051341196 0.66560633331525 0.09453248389024 85.468 > 79 81 Rb 0.76984234248769 0.39291758616919 0.08486213198591 85.468 > 81 82 Rb 0.76984234248769 0.89291758616919 0.08486213198591 85.468 > 81 83 Rb 0.23015765751232 0.14291758616919 0.41513786801409 85.468 > 83 84 Rb 0.23015765751232 0.64291758616919 0.41513786801409 85.468 > 83 85 Rb 0.23015765751232 0.10708241383081 0.91513786801409 85.468 > 85 86 Rb 0.23015765751232 0.60708241383081 0.91513786801409 85.468 > 85 87 Rb 0.76984234248769 0.35708241383081 0.58486213198591 85.468 > 87 88 Rb 0.76984234248769 0.85708241383081 0.58486213198591 85.468 > 87 89 Rb 0.82292280937540 0.04084671926371 0.39178417573811 85.468 > 89 90 Rb 0.82292280937540 0.54084671926371 0.39178417573811 85.468 > 89 91 Rb 0.17707719062460 0.29084671926371 0.10821582426189 85.468 > 91 92 Rb 0.17707719062460 0.79084671926371 0.10821582426189 85.468 > 91 93 Rb 0.17707719062460 0.45915328073629 0.60821582426189 85.468 > 93 94 Rb 0.17707719062460 0.95915328073629 0.60821582426189 85.468 > 93 95 Rb 0.82292280937540 0.20915328073629 0.89178417573811 85.468 > 95 96 Rb 0.82292280937540 0.70915328073629 0.89178417573811 85.468 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3163473 0.0000000 0.0133722 0.0000000 4.3163020 0.0000000 0.0133694 0.0000000 4.0314420 -------------------------- Born effective charges -------------------------- 1 O -1.0450151 -0.5617306 -0.0958154 -0.4088683 -1.6874269 -0.1334889 0.0377412 0.1364014 -1.6836422 2 O -1.0450151 0.5617306 -0.0958154 0.4088683 -1.6874269 0.1334889 0.0377412 -0.1364014 -1.6836422 3 O -1.0450151 -0.5617306 -0.0958154 -0.4088683 -1.6874269 -0.1334889 0.0377412 0.1364014 -1.6836422 4 O -1.0450151 0.5617306 -0.0958154 0.4088683 -1.6874269 0.1334889 0.0377412 -0.1364014 -1.6836422 5 O -1.1447744 0.0784207 0.0621000 0.0116125 -1.2027709 -0.1001201 -0.0824709 0.1066003 -1.0848823 6 O -1.1447744 -0.0784207 0.0621000 -0.0116125 -1.2027709 0.1001201 -0.0824709 -0.1066003 -1.0848823 7 O -1.1447744 0.0784207 0.0621000 0.0116125 -1.2027709 -0.1001201 -0.0824709 0.1066003 -1.0848823 8 O -1.1447744 -0.0784207 0.0621000 -0.0116125 -1.2027709 0.1001201 -0.0824709 -0.1066003 -1.0848823 9 O -1.1850129 0.0621119 -0.0709268 0.0017574 -1.1457015 0.0697297 0.0718201 -0.1531077 -1.0793036 10 O -1.1850129 -0.0621119 -0.0709268 -0.0017574 -1.1457015 -0.0697297 0.0718201 0.1531077 -1.0793036 11 O -1.1850129 0.0621119 -0.0709268 0.0017574 -1.1457015 0.0697297 0.0718201 -0.1531077 -1.0793036 12 O -1.1850129 -0.0621119 -0.0709268 -0.0017574 -1.1457015 -0.0697297 0.0718201 0.1531077 -1.0793036 13 O -1.0414405 -0.4815341 0.1090476 -0.3283381 -1.7074510 0.0830447 -0.0322845 -0.1814401 -1.6498473 14 O -1.0414405 0.4815341 0.1090476 0.3283381 -1.7074510 -0.0830447 -0.0322845 0.1814401 -1.6498473 15 O -1.0414405 -0.4815341 0.1090476 -0.3283381 -1.7074510 0.0830447 -0.0322845 -0.1814401 -1.6498473 16 O -1.0414405 0.4815341 0.1090476 0.3283381 -1.7074510 -0.0830447 -0.0322845 0.1814401 -1.6498473 17 Cu -0.1142773 0.8250565 -0.0656072 0.6267540 1.2615489 -0.0936460 -0.0305988 -0.0534871 -0.4353906 18 Cu -0.1612997 -0.7737396 0.1076297 -0.5785728 1.2095679 -0.1149770 0.0445702 -0.0954096 -0.3606289 19 Cu -0.1612997 -0.7737396 0.1076297 -0.5785728 1.2095679 -0.1149770 0.0445702 -0.0954096 -0.3606289 20 Cu -0.1612997 0.7737396 0.1076297 0.5785728 1.2095679 0.1149770 0.0445702 0.0954096 -0.3606289 21 Cu 1.2517062 0.4896158 0.0041848 0.3006639 -0.0385145 0.0223268 0.0177665 0.0335798 -0.0529267 22 Cu 1.2517062 -0.4896158 0.0041848 -0.3006639 -0.0385145 -0.0223268 0.0177665 -0.0335798 -0.0529267 23 Cu 1.2517062 0.4896158 0.0041848 0.3006639 -0.0385145 0.0223268 0.0177665 0.0335798 -0.0529267 24 Cu 1.2517062 -0.4896158 0.0041848 -0.3006639 -0.0385145 -0.0223268 0.0177665 -0.0335798 -0.0529267 25 Cu -0.3142495 0.0835145 0.3626101 0.0621495 -0.2154386 0.4366151 0.1403325 0.0942578 1.1696134 26 Cu -0.3142495 -0.0835145 0.3626101 -0.0621495 -0.2154386 -0.4366151 0.1403325 -0.0942578 1.1696134 27 Cu -0.3142495 0.0835145 0.3626101 0.0621495 -0.2154386 0.4366151 0.1403325 0.0942578 1.1696134 28 Cu -0.3142495 -0.0835145 0.3626101 -0.0621495 -0.2154386 -0.4366151 0.1403325 -0.0942578 1.1696134 29 Cu -0.3682242 0.0889496 -0.3870458 0.0673049 -0.1941083 -0.4464236 -0.1526108 -0.1585275 1.2012022 30 Cu -0.3682242 -0.0889496 -0.3870458 -0.0673049 -0.1941083 0.4464236 -0.1526108 0.1585275 1.2012022 31 Cu -0.3682242 0.0889496 -0.3870458 0.0673049 -0.1941083 -0.4464236 -0.1526108 -0.1585275 1.2012022 32 Cu -0.3682242 -0.0889496 -0.3870458 -0.0673049 -0.1941083 0.4464236 -0.1526108 0.1585275 1.2012022 33 Cu -0.1142773 0.8250565 -0.0656072 0.6267540 1.2615489 -0.0936460 -0.0305988 -0.0534871 -0.4353906 34 Cu -0.1142773 -0.8250565 -0.0656072 -0.6267540 1.2615489 0.0936460 -0.0305988 0.0534871 -0.4353906 35 Cu -0.1612997 0.7737396 0.1076297 0.5785728 1.2095679 0.1149770 0.0445702 0.0954096 -0.3606289 36 Cu -0.1142773 -0.8250565 -0.0656072 -0.6267540 1.2615489 0.0936460 -0.0305988 0.0534871 -0.4353906 37 Rb 1.4074442 -0.0586718 -0.0895001 -0.0479649 1.1694970 -0.1793317 -0.0578257 -0.1626914 1.3515240 38 Rb 1.4074442 0.0586718 -0.0895001 0.0479649 1.1694970 0.1793317 -0.0578257 0.1626914 1.3515240 39 Rb 1.4074442 -0.0586718 -0.0895001 -0.0479649 1.1694970 -0.1793317 -0.0578257 -0.1626914 1.3515240 40 Rb 1.4074442 0.0586718 -0.0895001 0.0479649 1.1694970 0.1793317 -0.0578257 0.1626914 1.3515240 41 Rb 1.4366554 0.0931391 0.0615129 0.0718238 1.2089284 -0.1853851 0.0566726 -0.1972327 1.3628370 42 Rb 1.4366554 -0.0931391 0.0615129 -0.0718238 1.2089284 0.1853851 0.0566726 0.1972327 1.3628370 43 Rb 1.4366554 0.0931391 0.0615129 0.0718238 1.2089284 -0.1853851 0.0566726 -0.1972327 1.3628370 44 Rb 1.4366554 -0.0931391 0.0615129 -0.0718238 1.2089284 0.1853851 0.0566726 0.1972327 1.3628370 45 Rb 1.2784878 -0.0278664 0.0018103 -0.0924854 1.3418695 0.0536734 -0.0131123 0.0464423 1.2614450 46 Rb 1.2784878 0.0278664 0.0018103 0.0924854 1.3418695 -0.0536734 -0.0131123 -0.0464423 1.2614450 47 Rb 1.2784878 -0.0278664 0.0018103 -0.0924854 1.3418695 0.0536734 -0.0131123 0.0464423 1.2614450 48 Rb 1.2784878 0.0278664 0.0018103 0.0924854 1.3418695 -0.0536734 -0.0131123 -0.0464423 1.2614450 ---------------------------------------------------------------------------- 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 2026-01-07 22:48:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:48:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.880673460332202 0.000000000000000 0.000000000000000 b 0.000000000000000 7.231159920000001 0.000000000000000 c -4.096216327735710 0.000000000000000 13.555251705385398 Atomic positions (fractional): 1 O 0.50595545981219 0.18954457073822 0.38918732854148 15.999 2 O 0.49404454018781 0.68954457073822 0.11081267145852 15.999 3 O 0.49404454018781 0.81045542926178 0.61081267145852 15.999 4 O 0.50595545981219 0.31045542926178 0.88918732854148 15.999 5 O 0.96992668261898 0.45647414017160 0.36880847702123 15.999 6 O 0.03007331738102 0.95647414017160 0.13119152297877 15.999 7 O 0.03007331738102 0.54352585982840 0.63119152297877 15.999 8 O 0.96992668261898 0.04352585982840 0.86880847702123 15.999 9 O 0.36483391188470 0.34158795398398 0.62204281156172 15.999 10 O 0.63516608811530 0.84158795398398 0.87795718843828 15.999 11 O 0.63516608811530 0.65841204601602 0.37795718843828 15.999 12 O 0.36483391188470 0.15841204601602 0.12204281156172 15.999 13 O 0.89351494903565 0.07175894591959 0.60226988461796 15.999 14 O 0.10648505096435 0.57175894591959 0.89773011538204 15.999 15 O 0.10648505096435 0.92824105408041 0.39773011538205 15.999 16 O 0.89351494903565 0.42824105408041 0.10226988461795 15.999 17 Cu 0.56741394602552 0.42077394507889 0.37867176408140 63.546 18 Cu 0.03842443222039 0.80528835777555 0.88017926930506 63.546 19 Cu 0.96157556777961 0.19471164222445 0.11982073069494 63.546 20 Cu 0.03842443222039 0.69471164222445 0.38017926930506 63.546 21 Cu 0.79937209006028 0.94340916232085 0.86566381478634 63.546 22 Cu 0.20062790993972 0.44340916232085 0.63433618521366 63.546 23 Cu 0.20062790993972 0.05659083767915 0.13433618521366 63.546 24 Cu 0.79937209006028 0.55659083767915 0.36566381478634 63.546 25 Cu 0.56389842418291 0.82621932729554 0.74307248418552 63.546 26 Cu 0.43610157581709 0.32621932729554 0.75692751581448 63.546 27 Cu 0.43610157581709 0.17378067270446 0.25692751581448 63.546 28 Cu 0.56389842418291 0.67378067270446 0.24307248418552 63.546 29 Cu 0.93161412664637 0.05297099828276 0.73497970163064 63.546 30 Cu 0.06838587335363 0.55297099828276 0.76502029836936 63.546 31 Cu 0.06838587335363 0.94702900171724 0.26502029836936 63.546 32 Cu 0.93161412664637 0.44702900171724 0.23497970163064 63.546 33 Cu 0.43258605397448 0.57922605492111 0.62132823591860 63.546 34 Cu 0.56741394602552 0.07922605492111 0.87867176408140 63.546 35 Cu 0.96157556777961 0.30528835777555 0.61982073069494 63.546 36 Cu 0.43258605397448 0.92077394507889 0.12132823591860 63.546 37 Rb 0.60479051341196 0.16878733336950 0.59453248389024 85.468 38 Rb 0.39520948658804 0.66878733336950 0.90546751610976 85.468 39 Rb 0.39520948658804 0.83121266663050 0.40546751610976 85.468 40 Rb 0.60479051341196 0.33121266663051 0.09453248389024 85.468 41 Rb 0.76984234248769 0.78583517233838 0.08486213198591 85.468 42 Rb 0.23015765751232 0.28583517233838 0.41513786801409 85.468 43 Rb 0.23015765751232 0.21416482766162 0.91513786801409 85.468 44 Rb 0.76984234248769 0.71416482766162 0.58486213198591 85.468 45 Rb 0.82292280937540 0.08169343852741 0.39178417573811 85.468 46 Rb 0.17707719062460 0.58169343852741 0.10821582426189 85.468 47 Rb 0.17707719062460 0.91830656147259 0.60821582426189 85.468 48 Rb 0.82292280937540 0.41830656147258 0.89178417573811 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.880673460332202 0.000000000000000 0.000000000000000 b 0.000000000000000 14.462319840000003 0.000000000000000 c -4.096216327735710 0.000000000000000 13.555251705385398 Atomic positions (fractional): 1 O 0.50595545981219 0.09477228536911 0.38918732854148 15.999 > 1 2 O 0.50595545981219 0.59477228536911 0.38918732854148 15.999 > 1 3 O 0.49404454018781 0.34477228536911 0.11081267145852 15.999 > 3 4 O 0.49404454018781 0.84477228536911 0.11081267145852 15.999 > 3 5 O 0.49404454018781 0.40522771463089 0.61081267145852 15.999 > 5 6 O 0.49404454018781 0.90522771463089 0.61081267145852 15.999 > 5 7 O 0.50595545981219 0.15522771463089 0.88918732854148 15.999 > 7 8 O 0.50595545981219 0.65522771463089 0.88918732854148 15.999 > 7 9 O 0.96992668261898 0.22823707008580 0.36880847702123 15.999 > 9 10 O 0.96992668261898 0.72823707008580 0.36880847702123 15.999 > 9 11 O 0.03007331738102 0.47823707008580 0.13119152297877 15.999 > 11 12 O 0.03007331738102 0.97823707008580 0.13119152297877 15.999 > 11 13 O 0.03007331738102 0.27176292991420 0.63119152297877 15.999 > 13 14 O 0.03007331738102 0.77176292991420 0.63119152297877 15.999 > 13 15 O 0.96992668261898 0.02176292991420 0.86880847702123 15.999 > 15 16 O 0.96992668261898 0.52176292991420 0.86880847702123 15.999 > 15 17 O 0.36483391188470 0.17079397699199 0.62204281156172 15.999 > 17 18 O 0.36483391188470 0.67079397699199 0.62204281156172 15.999 > 17 19 O 0.63516608811530 0.42079397699199 0.87795718843828 15.999 > 19 20 O 0.63516608811530 0.92079397699199 0.87795718843828 15.999 > 19 21 O 0.63516608811530 0.32920602300801 0.37795718843828 15.999 > 21 22 O 0.63516608811530 0.82920602300801 0.37795718843828 15.999 > 21 23 O 0.36483391188470 0.07920602300801 0.12204281156172 15.999 > 23 24 O 0.36483391188470 0.57920602300801 0.12204281156172 15.999 > 23 25 O 0.89351494903565 0.03587947295980 0.60226988461796 15.999 > 25 26 O 0.89351494903565 0.53587947295980 0.60226988461796 15.999 > 25 27 O 0.10648505096435 0.28587947295980 0.89773011538204 15.999 > 27 28 O 0.10648505096435 0.78587947295980 0.89773011538204 15.999 > 27 29 O 0.10648505096435 0.46412052704020 0.39773011538205 15.999 > 29 30 O 0.10648505096435 0.96412052704020 0.39773011538205 15.999 > 29 31 O 0.89351494903565 0.21412052704020 0.10226988461795 15.999 > 31 32 O 0.89351494903565 0.71412052704020 0.10226988461795 15.999 > 31 33 Cu 0.56741394602552 0.21038697253944 0.37867176408140 63.546 > 33 34 Cu 0.56741394602552 0.71038697253944 0.37867176408140 63.546 > 33 35 Cu 0.03842443222039 0.40264417888778 0.88017926930506 63.546 > 35 36 Cu 0.03842443222039 0.90264417888778 0.88017926930506 63.546 > 35 37 Cu 0.96157556777961 0.09735582111222 0.11982073069494 63.546 > 37 38 Cu 0.96157556777961 0.59735582111222 0.11982073069494 63.546 > 37 39 Cu 0.03842443222039 0.34735582111222 0.38017926930506 63.546 > 39 40 Cu 0.03842443222039 0.84735582111222 0.38017926930506 63.546 > 39 41 Cu 0.79937209006028 0.47170458116043 0.86566381478634 63.546 > 41 42 Cu 0.79937209006028 0.97170458116043 0.86566381478634 63.546 > 41 43 Cu 0.20062790993972 0.22170458116043 0.63433618521366 63.546 > 43 44 Cu 0.20062790993972 0.72170458116043 0.63433618521366 63.546 > 43 45 Cu 0.20062790993972 0.02829541883957 0.13433618521366 63.546 > 45 46 Cu 0.20062790993972 0.52829541883957 0.13433618521366 63.546 > 45 47 Cu 0.79937209006028 0.27829541883957 0.36566381478634 63.546 > 47 48 Cu 0.79937209006028 0.77829541883957 0.36566381478634 63.546 > 47 49 Cu 0.56389842418291 0.41310966364777 0.74307248418552 63.546 > 49 50 Cu 0.56389842418291 0.91310966364777 0.74307248418552 63.546 > 49 51 Cu 0.43610157581709 0.16310966364777 0.75692751581448 63.546 > 51 52 Cu 0.43610157581709 0.66310966364777 0.75692751581448 63.546 > 51 53 Cu 0.43610157581709 0.08689033635223 0.25692751581448 63.546 > 53 54 Cu 0.43610157581709 0.58689033635223 0.25692751581448 63.546 > 53 55 Cu 0.56389842418291 0.33689033635223 0.24307248418552 63.546 > 55 56 Cu 0.56389842418291 0.83689033635223 0.24307248418552 63.546 > 55 57 Cu 0.93161412664637 0.02648549914138 0.73497970163064 63.546 > 57 58 Cu 0.93161412664637 0.52648549914138 0.73497970163064 63.546 > 57 59 Cu 0.06838587335363 0.27648549914138 0.76502029836936 63.546 > 59 60 Cu 0.06838587335363 0.77648549914138 0.76502029836936 63.546 > 59 61 Cu 0.06838587335363 0.47351450085862 0.26502029836936 63.546 > 61 62 Cu 0.06838587335363 0.97351450085862 0.26502029836936 63.546 > 61 63 Cu 0.93161412664637 0.22351450085862 0.23497970163064 63.546 > 63 64 Cu 0.93161412664637 0.72351450085862 0.23497970163064 63.546 > 63 65 Cu 0.43258605397448 0.28961302746056 0.62132823591860 63.546 > 65 66 Cu 0.43258605397448 0.78961302746056 0.62132823591860 63.546 > 65 67 Cu 0.56741394602552 0.03961302746055 0.87867176408140 63.546 > 67 68 Cu 0.56741394602552 0.53961302746055 0.87867176408140 63.546 > 67 69 Cu 0.96157556777961 0.15264417888778 0.61982073069494 63.546 > 69 70 Cu 0.96157556777961 0.65264417888778 0.61982073069494 63.546 > 69 71 Cu 0.43258605397448 0.46038697253944 0.12132823591860 63.546 > 71 72 Cu 0.43258605397448 0.96038697253944 0.12132823591860 63.546 > 71 73 Rb 0.60479051341196 0.08439366668475 0.59453248389024 85.468 > 73 74 Rb 0.60479051341196 0.58439366668475 0.59453248389024 85.468 > 73 75 Rb 0.39520948658804 0.33439366668475 0.90546751610976 85.468 > 75 76 Rb 0.39520948658804 0.83439366668475 0.90546751610976 85.468 > 75 77 Rb 0.39520948658804 0.41560633331525 0.40546751610976 85.468 > 77 78 Rb 0.39520948658804 0.91560633331525 0.40546751610976 85.468 > 77 79 Rb 0.60479051341196 0.16560633331525 0.09453248389024 85.468 > 79 80 Rb 0.60479051341196 0.66560633331525 0.09453248389024 85.468 > 79 81 Rb 0.76984234248769 0.39291758616919 0.08486213198591 85.468 > 81 82 Rb 0.76984234248769 0.89291758616919 0.08486213198591 85.468 > 81 83 Rb 0.23015765751232 0.14291758616919 0.41513786801409 85.468 > 83 84 Rb 0.23015765751232 0.64291758616919 0.41513786801409 85.468 > 83 85 Rb 0.23015765751232 0.10708241383081 0.91513786801409 85.468 > 85 86 Rb 0.23015765751232 0.60708241383081 0.91513786801409 85.468 > 85 87 Rb 0.76984234248769 0.35708241383081 0.58486213198591 85.468 > 87 88 Rb 0.76984234248769 0.85708241383081 0.58486213198591 85.468 > 87 89 Rb 0.82292280937540 0.04084671926371 0.39178417573811 85.468 > 89 90 Rb 0.82292280937540 0.54084671926371 0.39178417573811 85.468 > 89 91 Rb 0.17707719062460 0.29084671926371 0.10821582426189 85.468 > 91 92 Rb 0.17707719062460 0.79084671926371 0.10821582426189 85.468 > 91 93 Rb 0.17707719062460 0.45915328073629 0.60821582426189 85.468 > 93 94 Rb 0.17707719062460 0.95915328073629 0.60821582426189 85.468 > 93 95 Rb 0.82292280937540 0.20915328073629 0.89178417573811 85.468 > 95 96 Rb 0.82292280937540 0.70915328073629 0.89178417573811 85.468 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3163473 0.0000000 0.0133722 0.0000000 4.3163020 0.0000000 0.0133694 0.0000000 4.0314420 -------------------------- Born effective charges -------------------------- 1 O -1.0450151 -0.5617306 -0.0958154 -0.4088683 -1.6874269 -0.1334889 0.0377412 0.1364014 -1.6836422 2 O -1.0450151 0.5617306 -0.0958154 0.4088683 -1.6874269 0.1334889 0.0377412 -0.1364014 -1.6836422 3 O -1.0450151 -0.5617306 -0.0958154 -0.4088683 -1.6874269 -0.1334889 0.0377412 0.1364014 -1.6836422 4 O -1.0450151 0.5617306 -0.0958154 0.4088683 -1.6874269 0.1334889 0.0377412 -0.1364014 -1.6836422 5 O -1.1447744 0.0784207 0.0621000 0.0116125 -1.2027709 -0.1001201 -0.0824709 0.1066003 -1.0848823 6 O -1.1447744 -0.0784207 0.0621000 -0.0116125 -1.2027709 0.1001201 -0.0824709 -0.1066003 -1.0848823 7 O -1.1447744 0.0784207 0.0621000 0.0116125 -1.2027709 -0.1001201 -0.0824709 0.1066003 -1.0848823 8 O -1.1447744 -0.0784207 0.0621000 -0.0116125 -1.2027709 0.1001201 -0.0824709 -0.1066003 -1.0848823 9 O -1.1850129 0.0621119 -0.0709268 0.0017574 -1.1457015 0.0697297 0.0718201 -0.1531077 -1.0793036 10 O -1.1850129 -0.0621119 -0.0709268 -0.0017574 -1.1457015 -0.0697297 0.0718201 0.1531077 -1.0793036 11 O -1.1850129 0.0621119 -0.0709268 0.0017574 -1.1457015 0.0697297 0.0718201 -0.1531077 -1.0793036 12 O -1.1850129 -0.0621119 -0.0709268 -0.0017574 -1.1457015 -0.0697297 0.0718201 0.1531077 -1.0793036 13 O -1.0414405 -0.4815341 0.1090476 -0.3283381 -1.7074510 0.0830447 -0.0322845 -0.1814401 -1.6498473 14 O -1.0414405 0.4815341 0.1090476 0.3283381 -1.7074510 -0.0830447 -0.0322845 0.1814401 -1.6498473 15 O -1.0414405 -0.4815341 0.1090476 -0.3283381 -1.7074510 0.0830447 -0.0322845 -0.1814401 -1.6498473 16 O -1.0414405 0.4815341 0.1090476 0.3283381 -1.7074510 -0.0830447 -0.0322845 0.1814401 -1.6498473 17 Cu -0.1142773 0.8250565 -0.0656072 0.6267540 1.2615489 -0.0936460 -0.0305988 -0.0534871 -0.4353906 18 Cu -0.1612997 -0.7737396 0.1076297 -0.5785728 1.2095679 -0.1149770 0.0445702 -0.0954096 -0.3606289 19 Cu -0.1612997 -0.7737396 0.1076297 -0.5785728 1.2095679 -0.1149770 0.0445702 -0.0954096 -0.3606289 20 Cu -0.1612997 0.7737396 0.1076297 0.5785728 1.2095679 0.1149770 0.0445702 0.0954096 -0.3606289 21 Cu 1.2517062 0.4896158 0.0041848 0.3006639 -0.0385145 0.0223268 0.0177665 0.0335798 -0.0529267 22 Cu 1.2517062 -0.4896158 0.0041848 -0.3006639 -0.0385145 -0.0223268 0.0177665 -0.0335798 -0.0529267 23 Cu 1.2517062 0.4896158 0.0041848 0.3006639 -0.0385145 0.0223268 0.0177665 0.0335798 -0.0529267 24 Cu 1.2517062 -0.4896158 0.0041848 -0.3006639 -0.0385145 -0.0223268 0.0177665 -0.0335798 -0.0529267 25 Cu -0.3142495 0.0835145 0.3626101 0.0621495 -0.2154386 0.4366151 0.1403325 0.0942578 1.1696134 26 Cu -0.3142495 -0.0835145 0.3626101 -0.0621495 -0.2154386 -0.4366151 0.1403325 -0.0942578 1.1696134 27 Cu -0.3142495 0.0835145 0.3626101 0.0621495 -0.2154386 0.4366151 0.1403325 0.0942578 1.1696134 28 Cu -0.3142495 -0.0835145 0.3626101 -0.0621495 -0.2154386 -0.4366151 0.1403325 -0.0942578 1.1696134 29 Cu -0.3682242 0.0889496 -0.3870458 0.0673049 -0.1941083 -0.4464236 -0.1526108 -0.1585275 1.2012022 30 Cu -0.3682242 -0.0889496 -0.3870458 -0.0673049 -0.1941083 0.4464236 -0.1526108 0.1585275 1.2012022 31 Cu -0.3682242 0.0889496 -0.3870458 0.0673049 -0.1941083 -0.4464236 -0.1526108 -0.1585275 1.2012022 32 Cu -0.3682242 -0.0889496 -0.3870458 -0.0673049 -0.1941083 0.4464236 -0.1526108 0.1585275 1.2012022 33 Cu -0.1142773 0.8250565 -0.0656072 0.6267540 1.2615489 -0.0936460 -0.0305988 -0.0534871 -0.4353906 34 Cu -0.1142773 -0.8250565 -0.0656072 -0.6267540 1.2615489 0.0936460 -0.0305988 0.0534871 -0.4353906 35 Cu -0.1612997 0.7737396 0.1076297 0.5785728 1.2095679 0.1149770 0.0445702 0.0954096 -0.3606289 36 Cu -0.1142773 -0.8250565 -0.0656072 -0.6267540 1.2615489 0.0936460 -0.0305988 0.0534871 -0.4353906 37 Rb 1.4074442 -0.0586718 -0.0895001 -0.0479649 1.1694970 -0.1793317 -0.0578257 -0.1626914 1.3515240 38 Rb 1.4074442 0.0586718 -0.0895001 0.0479649 1.1694970 0.1793317 -0.0578257 0.1626914 1.3515240 39 Rb 1.4074442 -0.0586718 -0.0895001 -0.0479649 1.1694970 -0.1793317 -0.0578257 -0.1626914 1.3515240 40 Rb 1.4074442 0.0586718 -0.0895001 0.0479649 1.1694970 0.1793317 -0.0578257 0.1626914 1.3515240 41 Rb 1.4366554 0.0931391 0.0615129 0.0718238 1.2089284 -0.1853851 0.0566726 -0.1972327 1.3628370 42 Rb 1.4366554 -0.0931391 0.0615129 -0.0718238 1.2089284 0.1853851 0.0566726 0.1972327 1.3628370 43 Rb 1.4366554 0.0931391 0.0615129 0.0718238 1.2089284 -0.1853851 0.0566726 -0.1972327 1.3628370 44 Rb 1.4366554 -0.0931391 0.0615129 -0.0718238 1.2089284 0.1853851 0.0566726 0.1972327 1.3628370 45 Rb 1.2784878 -0.0278664 0.0018103 -0.0924854 1.3418695 0.0536734 -0.0131123 0.0464423 1.2614450 46 Rb 1.2784878 0.0278664 0.0018103 0.0924854 1.3418695 -0.0536734 -0.0131123 -0.0464423 1.2614450 47 Rb 1.2784878 -0.0278664 0.0018103 -0.0924854 1.3418695 0.0536734 -0.0131123 0.0464423 1.2614450 48 Rb 1.2784878 0.0278664 0.0018103 0.0924854 1.3418695 -0.0536734 -0.0131123 -0.0464423 1.2614450 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) --------------------------- 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 7 4 ] 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: 0.42, Number of G-points: 289, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/44) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.838 ( 0.000 0.000 0.000) 0.000 0.838 ( 0.000 0.000 0.000) 0.000 0.964 ( 0.000 0.000 0.000) 0.000 0.985 ( 0.000 0.000 0.000) 0.000 1.146 ( 0.000 0.000 0.000) 0.000 1.293 ( 0.000 0.000 0.000) 0.000 1.317 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 1.432 ( 0.000 0.000 0.000) 0.000 1.436 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 1.642 ( 0.000 0.000 0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 1.833 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.345 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.201 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 5.669 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 14.549 ( 0.000 0.000 0.000) 0.000 14.551 ( 0.000 0.000 0.000) 0.000 14.648 ( 0.000 0.000 0.000) 0.000 14.669 ( 0.000 0.000 0.000) 0.000 15.080 ( 0.000 0.000 0.000) 0.000 15.110 ( 0.000 0.000 0.000) 0.000 15.119 ( 0.000 0.000 0.000) 0.000 15.153 ( 0.000 0.000 0.000) 0.000 15.414 ( 0.000 0.000 0.000) 0.000 15.431 ( 0.000 0.000 0.000) 0.000 15.624 ( 0.000 0.000 0.000) 0.000 15.654 ( 0.000 0.000 0.000) 0.000 15.658 ( 0.000 0.000 0.000) 0.000 15.667 ( 0.000 0.000 0.000) 0.000 15.920 ( 0.000 0.000 0.000) 0.000 16.029 ( 0.000 0.000 0.000) 0.000 16.159 ( 0.000 0.000 0.000) 0.000 16.188 ( 0.000 0.000 0.000) 0.000 16.223 ( 0.000 0.000 0.000) 0.000 16.284 ( 0.000 0.000 0.000) 0.000 17.424 ( 0.000 0.000 0.000) 0.000 17.428 ( 0.000 0.000 0.000) 0.000 17.636 ( 0.000 0.000 0.000) 0.000 17.677 ( 0.000 0.000 0.000) 0.000 17.801 ( 0.000 0.000 0.000) 0.000 17.867 ( 0.000 0.000 0.000) 0.000 17.953 ( 0.000 0.000 0.000) 0.000 18.010 ( 0.000 0.000 0.000) 0.000 18.036 ( 0.000 0.000 0.000) 0.000 18.081 ( 0.000 0.000 0.000) 0.000 18.314 ( 0.000 0.000 0.000) 0.000 18.347 ( 0.000 0.000 0.000) 0.000 18.576 ( 0.000 0.000 0.000) 0.000 18.630 ( 0.000 0.000 0.000) 0.000 18.632 ( 0.000 0.000 0.000) 0.000 18.636 ( 0.000 0.000 0.000) 0.000 18.738 ( 0.000 0.000 0.000) 0.000 18.854 ( 0.000 0.000 0.000) 0.000 18.897 ( 0.000 0.000 0.000) 0.000 19.120 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/44) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 11.959 0.000 9.768) 15.441 0.343 ( 15.724 0.000 2.361) 15.900 0.653 ( 29.731 0.000 4.206) 30.027 0.889 ( 6.257 0.000 -6.538) 9.050 0.920 ( 8.689 0.000 -7.813) 11.686 0.991 ( 0.415 0.000 -1.429) 1.488 1.007 ( -1.972 0.000 0.580) 2.056 1.183 ( 1.285 0.000 4.491) 4.671 1.265 ( -4.574 0.000 1.065) 4.696 1.307 ( -0.525 0.000 0.846) 0.995 1.337 ( 0.333 0.000 -0.486) 0.589 1.396 ( 0.070 0.000 0.284) 0.292 1.491 ( -0.457 0.000 -1.196) 1.280 1.522 ( 0.525 0.000 2.789) 2.838 1.535 ( 2.106 0.000 -0.099) 2.108 1.622 ( 3.199 0.000 -0.089) 3.200 1.649 ( 3.122 0.000 0.163) 3.126 1.708 ( 1.528 0.000 1.596) 2.209 1.708 ( 5.151 0.000 1.009) 5.249 1.817 ( -0.217 0.000 0.440) 0.491 1.868 ( 5.508 0.000 -1.060) 5.609 1.904 ( -2.382 0.000 -0.093) 2.384 2.018 ( -4.447 0.000 1.812) 4.802 2.031 ( -0.504 0.000 5.333) 5.357 2.066 ( -2.086 0.000 -6.488) 6.815 2.090 ( -1.381 0.000 -4.549) 4.754 2.253 ( 0.823 0.000 -0.366) 0.901 2.256 ( -2.122 0.000 -3.102) 3.758 2.272 ( -0.207 0.000 0.332) 0.391 2.297 ( -0.676 0.000 -1.918) 2.034 2.341 ( 0.972 0.000 0.402) 1.051 2.357 ( -3.808 0.000 1.022) 3.943 2.414 ( -0.663 0.000 -0.666) 0.939 2.431 ( 3.097 0.000 0.002) 3.097 2.475 ( 1.138 0.000 -1.175) 1.636 2.513 ( -4.875 0.000 1.695) 5.161 2.606 ( -2.315 0.000 1.433) 2.723 2.636 ( -1.321 0.000 0.130) 1.327 2.667 ( -4.455 0.000 -0.209) 4.459 2.668 ( -2.893 0.000 -0.404) 2.921 2.729 ( -4.142 0.000 0.315) 4.154 2.741 ( -2.487 0.000 -1.069) 2.707 2.770 ( 3.026 0.000 1.948) 3.599 2.774 ( -4.434 0.000 -5.589) 7.134 2.833 ( -6.558 0.000 2.980) 7.203 2.885 ( -6.373 0.000 -0.640) 6.405 2.932 ( 0.668 0.000 4.753) 4.800 2.961 ( 1.142 0.000 1.271) 1.708 3.018 ( 1.689 0.000 -0.924) 1.925 3.052 ( -4.678 0.000 -1.075) 4.800 3.076 ( -0.188 0.000 4.384) 4.388 3.106 ( 5.290 0.000 -0.356) 5.302 3.230 ( -4.483 0.000 0.479) 4.509 3.280 ( -5.120 0.000 0.089) 5.121 3.333 ( -0.892 0.000 -2.532) 2.685 3.369 ( -7.133 0.000 -0.546) 7.154 3.418 ( 0.855 0.000 3.373) 3.480 3.454 ( -6.717 0.000 -1.226) 6.828 3.489 ( -0.084 0.000 -2.521) 2.523 3.533 ( -5.530 0.000 0.927) 5.608 3.591 ( 6.038 0.000 1.013) 6.123 3.661 ( 4.590 0.000 -0.797) 4.659 3.705 ( 1.036 0.000 -0.597) 1.196 3.711 ( 2.836 0.000 -0.926) 2.983 3.744 ( 1.213 0.000 0.565) 1.338 3.755 ( 3.198 0.000 -0.132) 3.201 3.777 ( 2.986 0.000 -1.328) 3.268 3.783 ( 3.177 0.000 0.336) 3.195 3.800 ( 2.081 0.000 0.910) 2.271 3.847 ( 1.776 0.000 -0.884) 1.984 3.915 ( 6.264 0.000 -5.529) 8.355 3.917 ( 0.964 0.000 1.760) 2.007 3.935 ( 1.289 0.000 -1.385) 1.892 3.975 ( 0.174 0.000 5.504) 5.507 4.015 ( 1.483 0.000 1.264) 1.949 4.052 ( -0.789 0.000 -0.237) 0.824 4.166 ( -5.186 0.000 -0.224) 5.190 4.183 ( -3.878 0.000 0.338) 3.892 4.248 ( -4.058 0.000 1.425) 4.301 4.249 ( -4.725 0.000 0.411) 4.743 4.311 ( 4.207 0.000 -0.789) 4.280 4.336 ( 3.976 0.000 -0.824) 4.061 4.464 ( 3.666 0.000 0.061) 3.666 4.479 ( 3.325 0.000 0.046) 3.326 4.967 ( 3.119 0.000 0.219) 3.127 4.982 ( 2.722 0.000 -0.240) 2.733 5.411 ( -9.216 0.000 0.273) 9.220 5.416 ( -9.078 0.000 -0.895) 9.122 5.676 ( 1.721 0.000 0.106) 1.724 5.681 ( 1.271 0.000 -0.224) 1.291 5.741 ( 1.513 0.000 0.463) 1.583 5.781 ( 2.508 0.000 -0.785) 2.628 5.815 ( 7.449 0.000 -0.907) 7.504 5.854 ( 5.992 0.000 1.555) 6.190 6.196 ( 0.037 0.000 -0.795) 0.795 6.213 ( 0.091 0.000 0.753) 0.758 6.355 ( -0.832 0.000 -1.060) 1.348 6.401 ( -2.660 0.000 1.097) 2.877 6.498 ( 1.518 0.000 -1.098) 1.873 6.515 ( -0.994 0.000 0.433) 1.084 6.933 ( 0.344 0.000 0.004) 0.344 6.956 ( -0.731 0.000 -0.172) 0.751 6.976 ( -0.040 0.000 -0.037) 0.055 7.016 ( -1.058 0.000 -1.777) 2.068 14.551 ( 0.274 0.000 -0.289) 0.398 14.555 ( 0.313 0.000 0.165) 0.353 14.630 ( -1.670 0.000 0.419) 1.722 14.648 ( -1.830 0.000 -0.343) 1.862 15.081 ( 0.530 0.000 -0.353) 0.637 15.119 ( 0.611 0.000 0.679) 0.913 15.154 ( 2.856 0.000 -0.491) 2.898 15.196 ( 3.488 0.000 0.268) 3.498 15.411 ( -1.727 0.000 0.103) 1.730 15.412 ( -0.509 0.000 -0.110) 0.521 15.511 ( -5.652 0.000 -0.397) 5.666 15.545 ( -5.730 0.000 -0.154) 5.732 15.773 ( 5.252 0.000 -0.574) 5.283 15.790 ( 6.767 0.000 0.639) 6.797 15.952 ( 2.805 0.000 0.374) 2.830 16.034 ( 0.608 0.000 -0.773) 0.984 16.143 ( -2.048 0.000 0.548) 2.120 16.178 ( -0.669 0.000 -0.532) 0.855 16.199 ( -2.128 0.000 -0.160) 2.134 16.241 ( -3.781 0.000 -0.295) 3.792 17.439 ( 1.186 0.000 -0.008) 1.186 17.442 ( 1.245 0.000 -0.109) 1.250 17.685 ( 0.613 0.000 0.222) 0.652 17.702 ( -0.755 0.000 -3.635) 3.713 17.820 ( 1.438 0.000 -0.510) 1.525 17.864 ( -0.119 0.000 -0.335) 0.355 17.954 ( 0.434 0.000 -1.142) 1.222 18.027 ( 1.373 0.000 0.741) 1.560 18.083 ( 0.080 0.000 0.443) 0.450 18.210 ( 1.561 0.000 -5.174) 5.404 18.285 ( -2.679 0.000 0.484) 2.722 18.353 ( -4.049 0.000 -1.577) 4.345 18.600 ( 1.256 0.000 -2.869) 3.132 18.630 ( 1.876 0.000 -0.728) 2.012 18.656 ( -6.180 0.000 17.443) 18.506 18.695 ( 2.858 0.000 1.783) 3.368 18.760 ( 1.293 0.000 0.543) 1.402 18.866 ( 0.863 0.000 0.561) 1.030 18.888 ( -0.510 0.000 -0.156) 0.534 19.085 ( -3.463 0.000 0.314) 3.477 ======================= Grid point 2 (3/44) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 9.982 0.000 8.274) 12.965 0.651 ( 12.682 0.000 2.171) 12.867 0.849 ( -5.801 0.000 -7.823) 9.739 0.896 ( -6.548 0.000 -2.349) 6.957 1.046 ( 7.493 0.000 -3.611) 8.318 1.052 ( 5.869 0.000 -6.925) 9.078 1.141 ( -4.521 0.000 2.579) 5.205 1.143 ( 1.314 0.000 4.094) 4.300 1.257 ( 8.126 0.000 3.087) 8.692 1.312 ( 0.623 0.000 2.974) 3.039 1.393 ( 6.981 0.000 2.553) 7.433 1.454 ( 4.637 0.000 0.160) 4.640 1.482 ( -0.090 0.000 -0.128) 0.156 1.538 ( 0.648 0.000 1.115) 1.290 1.629 ( 3.501 0.000 3.248) 4.776 1.666 ( 0.106 0.000 -1.811) 1.814 1.709 ( 0.644 0.000 5.248) 5.288 1.773 ( -2.982 0.000 -0.729) 3.070 1.775 ( 2.578 0.000 -3.129) 4.055 1.840 ( 3.486 0.000 -0.045) 3.487 1.847 ( -0.756 0.000 -1.708) 1.868 1.892 ( -7.356 0.000 -6.955) 10.124 1.935 ( -4.352 0.000 2.569) 5.054 1.994 ( 7.244 0.000 -0.582) 7.268 2.037 ( -0.880 0.000 -2.968) 3.095 2.054 ( -2.213 0.000 4.627) 5.129 2.172 ( -0.765 0.000 -2.492) 2.607 2.185 ( -4.250 0.000 -3.637) 5.594 2.274 ( -2.030 0.000 -0.482) 2.087 2.290 ( 0.487 0.000 -3.235) 3.271 2.324 ( 0.209 0.000 3.822) 3.828 2.336 ( -3.294 0.000 1.401) 3.579 2.416 ( 4.345 0.000 0.137) 4.347 2.472 ( 2.430 0.000 0.079) 2.431 2.520 ( 1.207 0.000 2.487) 2.764 2.530 ( 1.431 0.000 -3.345) 3.638 2.543 ( -2.792 0.000 0.518) 2.840 2.569 ( -4.174 0.000 -2.613) 4.924 2.575 ( -4.542 0.000 4.036) 6.076 2.631 ( -3.948 0.000 -0.908) 4.052 2.669 ( 1.493 0.000 1.812) 2.348 2.675 ( 0.951 0.000 0.185) 0.968 2.699 ( -0.815 0.000 0.079) 0.819 2.743 ( -3.679 0.000 -0.155) 3.682 2.749 ( -3.875 0.000 -0.440) 3.900 2.823 ( -0.832 0.000 0.002) 0.832 2.879 ( -6.428 0.000 -4.242) 7.701 2.934 ( -3.644 0.000 1.533) 3.953 3.008 ( 0.985 0.000 4.817) 4.917 3.017 ( 1.715 0.000 -1.761) 2.459 3.050 ( -3.160 0.000 3.419) 4.656 3.119 ( -1.765 0.000 -2.593) 3.137 3.240 ( 1.045 0.000 -0.059) 1.047 3.241 ( 1.247 0.000 0.188) 1.261 3.279 ( -1.020 0.000 0.581) 1.174 3.314 ( -3.223 0.000 0.824) 3.327 3.362 ( 1.865 0.000 -1.423) 2.346 3.458 ( -0.019 0.000 -0.412) 0.412 3.480 ( 0.815 0.000 0.896) 1.211 3.481 ( -1.459 0.000 -1.029) 1.785 3.672 ( 1.497 0.000 0.589) 1.608 3.705 ( 0.507 0.000 -0.559) 0.754 3.727 ( 1.042 0.000 0.058) 1.043 3.734 ( 0.576 0.000 -0.264) 0.634 3.787 ( 2.772 0.000 0.485) 2.814 3.792 ( 0.803 0.000 -0.207) 0.829 3.836 ( 0.274 0.000 0.021) 0.275 3.849 ( 3.656 0.000 -0.024) 3.656 3.875 ( 4.012 0.000 -0.281) 4.022 3.895 ( 3.771 0.000 -1.429) 4.033 3.924 ( -1.834 0.000 0.417) 1.881 3.946 ( -1.156 0.000 0.885) 1.456 3.952 ( 0.502 0.000 -0.153) 0.525 3.999 ( 0.637 0.000 -0.278) 0.695 4.033 ( -2.208 0.000 0.619) 2.293 4.046 ( 1.243 0.000 -0.106) 1.248 4.092 ( 0.149 0.000 0.298) 0.333 4.100 ( -2.975 0.000 -0.238) 2.984 4.164 ( -4.274 0.000 0.771) 4.343 4.171 ( -2.650 0.000 -0.149) 2.654 4.420 ( 5.252 0.000 -0.030) 5.252 4.429 ( 4.680 0.000 -0.102) 4.681 4.490 ( -1.237 0.000 0.022) 1.237 4.500 ( -1.390 0.000 0.028) 1.391 5.063 ( 5.899 0.000 0.231) 5.904 5.065 ( 5.128 0.000 -0.150) 5.131 5.234 ( -7.923 0.000 -0.021) 7.923 5.240 ( -7.340 0.000 -0.220) 7.343 5.706 ( 1.098 0.000 -0.425) 1.178 5.718 ( 2.122 0.000 0.260) 2.138 5.742 ( -0.586 0.000 0.629) 0.859 5.766 ( -1.718 0.000 -0.180) 1.727 5.976 ( 6.930 0.000 -0.712) 6.967 6.026 ( 7.914 0.000 0.790) 7.953 6.159 ( -3.734 0.000 -1.131) 3.902 6.176 ( -3.845 0.000 0.726) 3.912 6.356 ( 1.263 0.000 -0.814) 1.502 6.361 ( -1.374 0.000 0.823) 1.601 6.492 ( -1.207 0.000 0.401) 1.272 6.519 ( 0.823 0.000 -0.439) 0.933 6.939 ( 0.134 0.000 0.199) 0.240 6.941 ( -0.391 0.000 -0.267) 0.474 6.975 ( 0.018 0.000 -0.014) 0.023 6.984 ( -1.034 0.000 -0.387) 1.104 14.559 ( 0.732 0.000 -0.380) 0.825 14.568 ( 0.940 0.000 0.275) 0.979 14.597 ( -1.542 0.000 0.445) 1.604 14.605 ( -1.790 0.000 -0.362) 1.827 15.095 ( 0.659 0.000 -0.157) 0.677 15.138 ( 0.638 0.000 0.151) 0.656 15.209 ( 2.057 0.000 -0.044) 2.058 15.272 ( 3.123 0.000 0.113) 3.125 15.381 ( -0.804 0.000 0.384) 0.891 15.400 ( -0.205 0.000 -0.684) 0.714 15.418 ( -3.083 0.000 0.532) 3.128 15.438 ( -4.037 0.000 -0.503) 4.068 15.858 ( 2.811 0.000 -0.190) 2.817 15.916 ( 4.718 0.000 0.301) 4.728 16.020 ( 3.056 0.000 0.262) 3.067 16.036 ( -0.369 0.000 -0.536) 0.651 16.095 ( -2.254 0.000 0.416) 2.292 16.151 ( -2.205 0.000 -0.030) 2.205 16.154 ( -3.346 0.000 -0.408) 3.371 16.163 ( -0.480 0.000 -0.089) 0.488 17.460 ( 0.673 0.000 0.001) 0.673 17.466 ( 0.866 0.000 -0.078) 0.870 17.671 ( -0.723 0.000 -0.743) 1.036 17.698 ( 0.378 0.000 0.207) 0.430 17.839 ( 0.564 0.000 -0.125) 0.577 17.860 ( -0.065 0.000 -0.211) 0.220 17.955 ( 0.246 0.000 -0.774) 0.812 18.068 ( 1.667 0.000 1.047) 1.969 18.090 ( 0.315 0.000 0.294) 0.431 18.210 ( 1.022 0.000 -3.351) 3.503 18.235 ( -1.768 0.000 0.224) 1.782 18.259 ( -3.763 0.000 0.569) 3.806 18.611 ( 1.662 0.000 -3.559) 3.928 18.637 ( -2.882 0.000 6.952) 7.526 18.685 ( 3.157 0.000 0.345) 3.175 18.733 ( -0.518 0.000 0.116) 0.531 18.780 ( 0.457 0.000 0.140) 0.478 18.886 ( 0.572 0.000 0.341) 0.666 18.901 ( 2.265 0.000 1.005) 2.478 18.996 ( -4.604 0.000 -0.701) 4.657 ======================= Grid point 5 (4/44) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 0.000 13.387 0.000) 13.387 0.332 ( 0.000 16.715 0.000) 16.715 0.522 ( 0.000 25.274 0.000) 25.274 0.894 ( 0.000 5.431 0.000) 5.431 0.951 ( 0.000 8.976 0.000) 8.976 1.047 ( 0.000 5.908 0.000) 5.908 1.060 ( 0.000 6.625 0.000) 6.625 1.203 ( 0.000 4.077 0.000) 4.077 1.282 ( 0.000 -1.002 0.000) 1.002 1.315 ( 0.000 -1.911 0.000) 1.911 1.391 ( 0.000 1.517 0.000) 1.517 1.399 ( 0.000 -2.406 0.000) 2.406 1.431 ( 0.000 -3.791 0.000) 3.791 1.531 ( 0.000 1.970 0.000) 1.970 1.545 ( 0.000 0.859 0.000) 0.859 1.571 ( 0.000 3.754 0.000) 3.754 1.613 ( 0.000 1.991 0.000) 1.991 1.722 ( 0.000 6.054 0.000) 6.054 1.739 ( 0.000 -0.433 0.000) 0.433 1.809 ( 0.000 3.646 0.000) 3.646 1.850 ( 0.000 -1.876 0.000) 1.876 1.854 ( 0.000 -1.604 0.000) 1.604 1.991 ( 0.000 -1.403 0.000) 1.403 2.016 ( 0.000 -2.771 0.000) 2.771 2.092 ( 0.000 -1.615 0.000) 1.615 2.159 ( 0.000 -1.228 0.000) 1.228 2.203 ( 0.000 0.187 0.000) 0.187 2.229 ( 0.000 0.815 0.000) 0.815 2.232 ( 0.000 -4.411 0.000) 4.411 2.334 ( 0.000 0.021 0.000) 0.021 2.360 ( 0.000 -2.641 0.000) 2.641 2.370 ( 0.000 -0.228 0.000) 0.228 2.407 ( 0.000 3.797 0.000) 3.797 2.434 ( 0.000 -0.789 0.000) 0.789 2.472 ( 0.000 -1.731 0.000) 1.731 2.558 ( 0.000 -4.207 0.000) 4.207 2.633 ( 0.000 -4.122 0.000) 4.122 2.642 ( 0.000 -3.087 0.000) 3.087 2.697 ( 0.000 -2.217 0.000) 2.217 2.699 ( 0.000 -1.427 0.000) 1.427 2.731 ( 0.000 -2.999 0.000) 2.999 2.759 ( 0.000 0.324 0.000) 0.324 2.767 ( 0.000 -0.700 0.000) 0.700 2.832 ( 0.000 -2.144 0.000) 2.144 2.856 ( 0.000 1.054 0.000) 1.054 2.907 ( 0.000 -0.254 0.000) 0.254 2.956 ( 0.000 -2.150 0.000) 2.150 2.963 ( 0.000 -0.201 0.000) 0.201 3.034 ( 0.000 -0.233 0.000) 0.233 3.053 ( 0.000 3.329 0.000) 3.329 3.071 ( 0.000 3.517 0.000) 3.517 3.095 ( 0.000 4.298 0.000) 4.298 3.222 ( 0.000 -6.961 0.000) 6.961 3.314 ( 0.000 -2.827 0.000) 2.827 3.401 ( 0.000 -3.116 0.000) 3.116 3.409 ( 0.000 -1.668 0.000) 1.668 3.430 ( 0.000 4.427 0.000) 4.427 3.477 ( 0.000 -4.050 0.000) 4.050 3.506 ( 0.000 0.118 0.000) 0.118 3.596 ( 0.000 1.352 0.000) 1.352 3.614 ( 0.000 -0.176 0.000) 0.176 3.644 ( 0.000 0.227 0.000) 0.227 3.654 ( 0.000 -0.438 0.000) 0.438 3.698 ( 0.000 1.342 0.000) 1.342 3.708 ( 0.000 2.275 0.000) 2.275 3.726 ( 0.000 3.705 0.000) 3.705 3.752 ( 0.000 2.205 0.000) 2.205 3.781 ( 0.000 0.150 0.000) 0.150 3.794 ( 0.000 -1.119 0.000) 1.119 3.854 ( 0.000 4.592 0.000) 4.592 3.857 ( 0.000 1.339 0.000) 1.339 3.888 ( 0.000 -0.795 0.000) 0.795 3.922 ( 0.000 1.181 0.000) 1.181 3.926 ( 0.000 1.584 0.000) 1.584 4.001 ( 0.000 0.058 0.000) 0.058 4.078 ( 0.000 1.183 0.000) 1.183 4.094 ( 0.000 -6.520 0.000) 6.520 4.139 ( 0.000 -3.897 0.000) 3.897 4.225 ( 0.000 -1.433 0.000) 1.433 4.260 ( 0.000 -2.468 0.000) 2.468 4.401 ( 0.000 4.818 0.000) 4.818 4.417 ( 0.000 4.311 0.000) 4.311 4.438 ( 0.000 4.552 0.000) 4.552 4.459 ( 0.000 4.291 0.000) 4.291 4.922 ( 0.000 -1.625 0.000) 1.625 4.945 ( 0.000 -0.685 0.000) 0.685 5.511 ( 0.000 -5.613 0.000) 5.613 5.556 ( 0.000 -3.618 0.000) 3.618 5.591 ( 0.000 -0.380 0.000) 0.380 5.629 ( 0.000 0.627 0.000) 0.627 5.658 ( 0.000 0.171 0.000) 0.171 5.683 ( 0.000 0.927 0.000) 0.927 5.824 ( 0.000 4.868 0.000) 4.868 5.838 ( 0.000 3.137 0.000) 3.137 6.192 ( 0.000 -0.178 0.000) 0.178 6.205 ( 0.000 0.108 0.000) 0.108 6.367 ( 0.000 -0.473 0.000) 0.473 6.417 ( 0.000 -0.643 0.000) 0.643 6.466 ( 0.000 -1.541 0.000) 1.541 6.538 ( 0.000 -1.643 0.000) 1.643 6.939 ( 0.000 0.106 0.000) 0.106 6.950 ( 0.000 -0.184 0.000) 0.184 6.963 ( 0.000 -0.212 0.000) 0.212 6.973 ( 0.000 -0.302 0.000) 0.302 14.553 ( 0.000 0.463 0.000) 0.463 14.557 ( 0.000 0.512 0.000) 0.512 14.638 ( 0.000 -0.880 0.000) 0.880 14.665 ( 0.000 -0.440 0.000) 0.440 15.095 ( 0.000 1.446 0.000) 1.446 15.123 ( 0.000 1.304 0.000) 1.304 15.126 ( 0.000 0.668 0.000) 0.668 15.162 ( 0.000 0.661 0.000) 0.661 15.422 ( 0.000 0.562 0.000) 0.562 15.434 ( 0.000 0.379 0.000) 0.379 15.606 ( 0.000 -1.775 0.000) 1.775 15.647 ( 0.000 -1.982 0.000) 1.982 15.656 ( 0.000 0.926 0.000) 0.926 15.679 ( 0.000 1.590 0.000) 1.590 15.916 ( 0.000 -0.535 0.000) 0.535 16.017 ( 0.000 -1.276 0.000) 1.276 16.137 ( 0.000 -1.993 0.000) 1.993 16.166 ( 0.000 -2.072 0.000) 2.072 16.196 ( 0.000 -2.515 0.000) 2.515 16.250 ( 0.000 -4.173 0.000) 4.173 17.447 ( 0.000 1.727 0.000) 1.727 17.554 ( 0.000 1.027 0.000) 1.027 17.631 ( 0.000 -0.691 0.000) 0.691 17.671 ( 0.000 -0.680 0.000) 0.680 17.807 ( 0.000 0.763 0.000) 0.763 17.949 ( 0.000 0.341 0.000) 0.341 17.995 ( 0.000 1.602 0.000) 1.602 18.019 ( 0.000 -1.192 0.000) 1.192 18.063 ( 0.000 -1.387 0.000) 1.387 18.085 ( 0.000 3.999 0.000) 3.999 18.336 ( 0.000 1.235 0.000) 1.235 18.372 ( 0.000 1.818 0.000) 1.818 18.572 ( 0.000 -0.014 0.000) 0.014 18.641 ( 0.000 0.886 0.000) 0.886 18.646 ( 0.000 1.741 0.000) 1.741 18.652 ( 0.000 -1.090 0.000) 1.090 18.755 ( 0.000 1.185 0.000) 1.185 18.868 ( 0.000 1.119 0.000) 1.119 19.136 ( 0.000 1.480 0.000) 1.480 19.259 ( 0.000 -0.070 0.000) 0.070 ======================= Grid point 6 (5/44) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 10.947 7.305 4.222) 13.821 0.416 ( 8.959 9.756 6.236) 14.640 0.823 ( 14.569 9.927 -1.678) 17.709 0.879 ( 9.523 5.926 -3.475) 11.743 1.013 ( 0.188 4.644 -2.552) 5.303 1.067 ( -1.795 6.174 -3.564) 7.351 1.094 ( 5.458 8.169 0.041) 9.824 1.194 ( -2.277 1.091 1.631) 3.006 1.263 ( -1.988 -0.022 1.419) 2.442 1.281 ( 0.973 -0.369 2.445) 2.657 1.338 ( -1.157 0.217 1.069) 1.590 1.445 ( 1.476 0.739 1.751) 2.407 1.487 ( 0.847 0.175 -3.418) 3.526 1.501 ( -0.627 -1.385 -0.384) 1.568 1.557 ( 1.379 0.371 0.700) 1.590 1.583 ( 2.031 1.528 2.641) 3.666 1.651 ( 0.862 0.228 1.985) 2.176 1.714 ( 2.865 0.491 -0.941) 3.055 1.774 ( 0.551 2.661 3.098) 4.121 1.842 ( 2.427 3.684 -2.263) 4.959 1.871 ( 4.094 -0.792 -1.896) 4.581 1.913 ( 2.662 0.897 0.477) 2.849 1.977 ( -2.469 -2.361 2.402) 4.176 2.029 ( 0.343 -1.753 1.587) 2.389 2.048 ( -2.338 0.187 -0.751) 2.462 2.151 ( -1.061 3.026 -5.727) 6.564 2.174 ( -0.013 -3.571 0.817) 3.664 2.211 ( -2.535 -2.043 -1.352) 3.525 2.281 ( -2.935 -1.012 -0.568) 3.156 2.291 ( 3.441 -0.811 -0.225) 3.543 2.341 ( -3.657 -0.719 -0.131) 3.729 2.366 ( -2.360 0.238 -2.479) 3.431 2.382 ( 0.913 -0.597 0.077) 1.094 2.408 ( 0.480 -1.751 3.653) 4.080 2.475 ( 1.038 0.034 -1.559) 1.873 2.529 ( -1.887 -4.743 0.236) 5.110 2.574 ( -4.736 -1.468 -3.437) 6.033 2.614 ( -2.653 -2.903 -0.964) 4.049 2.632 ( -2.379 -2.152 -0.843) 3.317 2.660 ( -2.546 -0.910 -1.035) 2.895 2.673 ( -1.743 -0.808 1.017) 2.174 2.744 ( -3.421 -1.058 -1.430) 3.855 2.776 ( -0.477 -0.713 -1.676) 1.883 2.827 ( -2.427 1.676 0.815) 3.060 2.858 ( -3.143 2.000 4.894) 6.151 2.898 ( -4.490 0.746 0.567) 4.587 2.932 ( -0.396 1.223 4.106) 4.303 2.957 ( 0.708 -1.145 0.079) 1.348 2.996 ( -2.810 -1.735 0.510) 3.341 3.043 ( -1.568 -2.415 1.864) 3.430 3.080 ( -2.140 1.764 -1.913) 3.370 3.120 ( 3.444 1.565 0.211) 3.789 3.198 ( -1.185 -0.993 1.265) 1.998 3.302 ( -1.599 -2.142 -2.304) 3.529 3.315 ( -4.848 0.874 -0.803) 4.991 3.386 ( -4.127 1.479 -1.009) 4.499 3.436 ( 3.341 1.144 1.773) 3.952 3.468 ( -5.743 1.583 -0.719) 6.000 3.520 ( 0.799 0.276 -0.263) 0.885 3.553 ( -3.203 2.398 0.918) 4.105 3.572 ( 1.400 0.643 0.255) 1.561 3.605 ( 2.845 -2.632 -0.312) 3.888 3.684 ( 2.376 -1.711 -0.719) 3.015 3.719 ( 2.434 -1.449 0.060) 2.833 3.739 ( 1.420 0.260 0.378) 1.492 3.768 ( 2.163 0.990 -0.064) 2.380 3.775 ( 2.757 -0.348 -0.029) 2.779 3.796 ( 1.449 -0.462 0.064) 1.522 3.828 ( 0.429 2.408 -0.783) 2.568 3.863 ( 0.310 2.469 -0.289) 2.505 3.919 ( 0.753 0.328 1.716) 1.902 3.921 ( 4.439 0.529 -2.916) 5.337 3.943 ( 1.817 0.266 -0.645) 1.947 3.973 ( 2.845 -0.646 2.324) 3.730 4.007 ( 0.692 0.881 0.836) 1.398 4.063 ( -0.907 0.619 0.016) 1.098 4.134 ( -0.946 -2.966 0.549) 3.161 4.146 ( -0.188 -3.415 -0.104) 3.422 4.212 ( 0.499 0.428 -0.412) 0.776 4.241 ( -0.627 0.054 0.605) 0.873 4.394 ( 0.055 5.233 0.336) 5.244 4.404 ( -0.140 5.356 -0.414) 5.374 4.469 ( 1.736 0.424 -0.324) 1.816 4.485 ( 1.446 0.449 0.371) 1.559 4.958 ( 3.486 -0.922 -0.030) 3.606 4.972 ( 2.821 -0.713 -0.172) 2.915 5.393 ( -8.193 -2.140 -0.394) 8.477 5.400 ( -8.787 -1.378 0.403) 8.904 5.660 ( 1.795 -1.561 -0.157) 2.384 5.674 ( 1.392 -0.842 -0.011) 1.627 5.707 ( 1.816 -2.314 0.563) 2.995 5.726 ( 3.061 -2.816 -0.434) 4.182 5.876 ( 4.474 3.838 -0.190) 5.898 5.894 ( 6.365 4.044 0.595) 7.565 6.194 ( -0.113 -0.132 -0.283) 0.332 6.211 ( 0.035 -0.231 0.354) 0.424 6.352 ( -0.721 -0.234 -0.876) 1.158 6.396 ( -2.089 -0.408 1.030) 2.365 6.478 ( 1.222 -1.491 -0.500) 1.992 6.517 ( -1.220 -0.577 -0.033) 1.350 6.935 ( 0.070 0.159 0.018) 0.175 6.953 ( -0.748 -0.310 -0.186) 0.831 6.972 ( -0.029 -0.491 -0.111) 0.504 6.980 ( 0.474 -1.966 -0.339) 2.051 14.549 ( -0.059 -0.035 0.285) 0.293 14.554 ( 0.013 0.275 -0.412) 0.496 14.624 ( -1.520 -0.767 0.467) 1.766 14.645 ( -1.647 -0.275 -0.365) 1.709 15.095 ( 0.415 1.330 -0.321) 1.429 15.131 ( 0.769 1.163 0.794) 1.604 15.160 ( 2.580 0.503 -0.569) 2.689 15.203 ( 3.311 0.581 0.100) 3.363 15.413 ( -1.092 0.319 -0.217) 1.158 15.424 ( -0.630 0.982 0.198) 1.184 15.516 ( -4.882 0.629 -0.169) 4.926 15.549 ( -5.231 0.420 -0.113) 5.249 15.757 ( 5.000 -1.437 -0.282) 5.211 15.778 ( 6.090 -0.915 0.299) 6.166 15.944 ( 2.330 -0.937 0.385) 2.541 16.019 ( 0.367 -1.510 -0.748) 1.725 16.123 ( -1.761 -1.895 0.518) 2.638 16.157 ( -0.739 -1.879 0.006) 2.019 16.179 ( -1.452 -1.981 -0.380) 2.485 16.210 ( -3.254 -3.138 -0.328) 4.533 17.454 ( 0.627 1.362 0.072) 1.501 17.490 ( -1.393 3.192 -0.276) 3.494 17.654 ( -0.321 -2.558 -0.635) 2.655 17.677 ( 0.519 -1.483 -0.880) 1.801 17.822 ( 1.270 1.142 0.283) 1.731 17.922 ( -0.206 2.890 -1.961) 3.499 17.981 ( -0.383 2.483 -1.506) 2.929 18.028 ( 0.389 -0.371 1.053) 1.182 18.076 ( 0.948 -0.072 0.771) 1.224 18.145 ( 2.923 -2.154 -0.892) 3.738 18.307 ( -2.842 0.958 0.907) 3.133 18.353 ( -2.686 0.783 0.037) 2.798 18.592 ( 1.504 0.167 1.188) 1.924 18.616 ( -0.154 -0.268 -1.134) 1.175 18.660 ( 1.169 1.857 1.132) 2.469 18.717 ( 2.704 -0.267 3.825) 4.692 18.771 ( 1.230 1.224 -0.529) 1.814 18.874 ( 0.657 1.018 -0.638) 1.369 19.055 ( -8.795 6.965 0.133) 11.219 19.116 ( -4.397 3.368 0.706) 5.584 ======================= Grid point 7 (6/44) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 9.172 5.788 7.690) 13.296 0.679 ( 13.477 3.047 2.582) 14.057 0.887 ( -3.339 3.694 -7.677) 9.150 0.932 ( -8.155 3.149 -2.724) 9.156 0.972 ( 4.272 -0.776 -4.103) 5.974 1.088 ( -4.904 -2.240 2.920) 6.131 1.143 ( 1.358 2.239 -2.500) 3.621 1.220 ( 5.795 5.614 0.639) 8.093 1.294 ( -0.684 1.593 1.375) 2.212 1.317 ( 2.360 2.381 3.430) 4.796 1.383 ( 3.761 -3.342 0.995) 5.129 1.457 ( 0.208 -3.372 -1.147) 3.567 1.487 ( 4.062 3.011 2.604) 5.688 1.564 ( 3.100 2.371 -2.590) 4.684 1.595 ( 2.473 -1.146 2.382) 3.620 1.645 ( 1.950 0.422 2.180) 2.955 1.684 ( 1.267 -0.781 2.449) 2.866 1.749 ( -1.614 -3.290 -1.977) 4.163 1.784 ( 1.358 1.656 2.034) 2.953 1.886 ( -5.100 1.039 -2.403) 5.733 1.904 ( 0.138 3.721 -2.108) 4.279 1.923 ( -0.865 5.804 0.206) 5.871 1.953 ( 1.948 -3.951 -0.687) 4.458 2.005 ( 1.168 2.141 -1.801) 3.031 2.045 ( -1.769 0.726 4.945) 5.302 2.083 ( 0.397 4.007 -1.667) 4.358 2.141 ( -1.243 -2.580 -2.346) 3.702 2.160 ( -1.729 -2.070 -2.463) 3.653 2.248 ( 0.120 -1.053 -0.267) 1.093 2.271 ( -3.193 -0.199 -0.734) 3.282 2.311 ( -1.023 -1.795 -0.879) 2.245 2.379 ( -0.272 1.663 1.124) 2.026 2.399 ( 3.074 -0.890 0.690) 3.274 2.440 ( 2.690 -2.374 0.871) 3.692 2.501 ( 0.900 -1.455 -1.627) 2.361 2.511 ( 0.235 -2.103 -2.206) 3.057 2.527 ( 0.620 -2.001 -0.591) 2.176 2.530 ( -3.500 -2.618 -1.166) 4.524 2.583 ( -0.219 -0.205 3.955) 3.966 2.642 ( -0.980 0.102 0.245) 1.016 2.657 ( -1.097 -1.526 -1.131) 2.193 2.669 ( -2.054 0.604 1.068) 2.393 2.703 ( -4.208 0.173 0.400) 4.230 2.749 ( -4.746 -0.348 -0.391) 4.775 2.767 ( -2.557 2.690 1.220) 3.906 2.839 ( -1.816 1.418 0.146) 2.309 2.871 ( -5.496 0.824 -2.876) 6.258 2.963 ( -0.661 1.075 1.093) 1.670 2.980 ( 0.789 -1.371 1.389) 2.105 3.022 ( -1.169 -1.910 2.060) 3.043 3.052 ( -0.063 3.150 -0.486) 3.188 3.143 ( -1.780 1.649 -1.247) 2.728 3.194 ( 2.937 -1.696 2.671) 4.317 3.248 ( -1.706 -1.842 -0.033) 2.511 3.303 ( 0.837 0.911 0.430) 1.310 3.316 ( -5.616 -0.288 -1.573) 5.839 3.386 ( 2.050 3.122 -1.014) 3.870 3.492 ( -0.041 3.039 -0.162) 3.044 3.501 ( 0.837 2.257 0.700) 2.507 3.539 ( -0.429 4.623 -0.530) 4.673 3.627 ( 1.416 -3.465 -0.520) 3.779 3.664 ( 2.874 -1.544 0.333) 3.280 3.711 ( -0.515 -1.820 0.149) 1.897 3.749 ( 1.786 -1.149 0.788) 2.265 3.780 ( 1.720 -0.492 -0.089) 1.791 3.794 ( -0.317 -0.261 -0.778) 0.880 3.820 ( 0.973 -2.158 0.105) 2.369 3.845 ( 3.117 -0.300 0.346) 3.150 3.867 ( 3.317 0.834 -0.179) 3.425 3.870 ( 0.758 -1.460 -0.531) 1.729 3.919 ( -1.281 -0.821 0.064) 1.523 3.945 ( -1.147 0.192 -0.200) 1.180 3.958 ( 0.333 -0.285 0.471) 0.644 3.993 ( -0.419 -0.707 -0.294) 0.873 4.007 ( -3.515 -1.548 0.375) 3.859 4.045 ( 1.215 -1.009 0.316) 1.610 4.119 ( -0.068 3.677 -0.051) 3.678 4.158 ( 2.302 4.173 0.248) 4.772 4.209 ( -1.705 3.897 -0.213) 4.259 4.225 ( -1.445 4.811 0.279) 5.031 4.429 ( 2.903 0.635 0.073) 2.972 4.436 ( 3.061 0.920 -0.161) 3.201 4.478 ( -0.904 -1.028 -0.130) 1.375 4.490 ( -1.383 -1.014 0.179) 1.725 5.052 ( 5.215 -0.742 -0.196) 5.271 5.062 ( 5.996 -0.529 0.058) 6.020 5.223 ( -7.883 -1.011 0.158) 7.949 5.231 ( -7.286 -1.000 -0.109) 7.355 5.694 ( 1.282 -1.356 -0.371) 1.903 5.698 ( 1.095 -1.749 0.173) 2.071 5.722 ( 0.021 -1.809 0.583) 1.900 5.738 ( -0.851 -2.630 -0.219) 2.773 5.993 ( 5.486 1.681 -0.575) 5.767 6.043 ( 6.838 1.608 0.791) 7.069 6.162 ( -3.169 0.232 -0.816) 3.280 6.180 ( -3.146 0.241 0.461) 3.189 6.346 ( 0.078 -0.378 -0.195) 0.433 6.372 ( -0.128 0.704 0.244) 0.755 6.487 ( -0.829 -0.552 0.301) 1.041 6.504 ( 0.516 -1.316 -0.342) 1.455 6.937 ( -0.296 -0.340 0.260) 0.520 6.939 ( -0.022 -0.154 -0.331) 0.366 6.968 ( -0.390 -0.953 -0.161) 1.042 6.971 ( -0.378 -0.842 -0.059) 0.925 14.553 ( 0.221 -0.482 -0.441) 0.689 14.560 ( 0.713 -0.596 0.403) 1.013 14.596 ( -1.103 -0.205 0.457) 1.212 14.606 ( -1.554 -0.002 -0.418) 1.610 15.106 ( 0.558 1.087 -0.170) 1.234 15.152 ( 0.675 1.397 0.273) 1.575 15.204 ( 1.485 -0.502 -0.138) 1.574 15.272 ( 2.669 -0.068 0.043) 2.670 15.397 ( 0.216 1.484 -0.068) 1.501 15.414 ( -0.116 1.275 -0.070) 1.282 15.433 ( -3.063 1.525 0.426) 3.448 15.452 ( -3.678 1.535 -0.501) 4.017 15.836 ( 2.594 -2.093 -0.184) 3.338 15.894 ( 4.354 -2.074 0.281) 4.831 15.993 ( 1.416 -2.701 -0.008) 3.049 16.016 ( -0.354 -2.064 -0.160) 2.100 16.083 ( -1.492 -1.043 0.067) 1.822 16.137 ( -1.961 -1.345 0.431) 2.417 16.140 ( -1.936 -1.250 -0.181) 2.312 16.151 ( -0.586 -1.163 -0.498) 1.394 17.468 ( 0.516 0.834 0.035) 0.981 17.488 ( 0.425 1.819 -0.078) 1.869 17.634 ( -0.747 -2.656 -0.211) 2.767 17.677 ( -0.026 -2.385 -0.235) 2.397 17.847 ( 0.780 2.288 0.169) 2.423 17.918 ( 0.243 3.739 -0.438) 3.772 17.963 ( -0.410 1.072 -0.922) 1.472 18.046 ( 0.582 -1.709 0.586) 1.898 18.101 ( 0.890 1.051 0.197) 1.391 18.191 ( 2.679 -0.571 -0.583) 2.801 18.255 ( -2.550 -0.015 1.076) 2.768 18.276 ( -3.301 1.854 -1.322) 4.010 18.613 ( 0.899 -0.608 -2.607) 2.824 18.620 ( -0.616 0.513 3.630) 3.717 18.714 ( 3.453 2.073 0.343) 4.042 18.767 ( -0.681 1.319 0.712) 1.646 18.798 ( 1.617 1.277 1.361) 2.470 18.864 ( -1.536 1.121 -1.132) 2.213 18.963 ( 0.497 3.451 -0.040) 3.487 19.030 ( -4.508 2.945 0.449) 5.403 ======================= Grid point 10 (7/44) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 13.194 0.000) 13.194 0.658 ( 0.000 16.170 0.000) 16.170 0.957 ( 0.000 16.494 0.000) 16.494 1.038 ( 0.000 8.657 0.000) 8.657 1.095 ( 0.000 4.479 0.000) 4.479 1.189 ( 0.000 7.243 0.000) 7.243 1.227 ( 0.000 -0.512 0.000) 0.512 1.246 ( 0.000 5.947 0.000) 5.947 1.276 ( 0.000 0.817 0.000) 0.817 1.305 ( 0.000 5.475 0.000) 5.475 1.344 ( 0.000 -1.925 0.000) 1.925 1.395 ( 0.000 0.588 0.000) 0.588 1.466 ( 0.000 4.610 0.000) 4.610 1.558 ( 0.000 0.843 0.000) 0.843 1.562 ( 0.000 -1.015 0.000) 1.015 1.593 ( 0.000 -1.467 0.000) 1.467 1.675 ( 0.000 3.119 0.000) 3.119 1.738 ( 0.000 -0.046 0.000) 0.046 1.817 ( 0.000 0.252 0.000) 0.252 1.835 ( 0.000 1.674 0.000) 1.674 1.840 ( 0.000 3.567 0.000) 3.567 1.899 ( 0.000 4.089 0.000) 4.089 1.967 ( 0.000 -0.720 0.000) 0.720 1.974 ( 0.000 -1.361 0.000) 1.361 2.053 ( 0.000 -1.850 0.000) 1.850 2.090 ( 0.000 -5.367 0.000) 5.367 2.156 ( 0.000 -2.336 0.000) 2.336 2.189 ( 0.000 -1.059 0.000) 1.059 2.250 ( 0.000 -0.521 0.000) 0.521 2.295 ( 0.000 -3.968 0.000) 3.968 2.324 ( 0.000 -0.986 0.000) 0.986 2.371 ( 0.000 0.387 0.000) 0.387 2.385 ( 0.000 -4.055 0.000) 4.055 2.437 ( 0.000 -0.803 0.000) 0.803 2.457 ( 0.000 0.874 0.000) 0.874 2.513 ( 0.000 -1.145 0.000) 1.145 2.527 ( 0.000 -4.026 0.000) 4.026 2.590 ( 0.000 -1.784 0.000) 1.784 2.647 ( 0.000 -2.893 0.000) 2.893 2.674 ( 0.000 -1.534 0.000) 1.534 2.691 ( 0.000 -1.177 0.000) 1.177 2.720 ( 0.000 -1.232 0.000) 1.232 2.736 ( 0.000 -2.389 0.000) 2.389 2.789 ( 0.000 -3.914 0.000) 3.914 2.863 ( 0.000 -0.686 0.000) 0.686 2.896 ( 0.000 -1.709 0.000) 1.709 2.914 ( 0.000 -1.450 0.000) 1.450 2.925 ( 0.000 -3.132 0.000) 3.132 3.011 ( 0.000 -2.157 0.000) 2.157 3.080 ( 0.000 -2.606 0.000) 2.606 3.121 ( 0.000 -2.528 0.000) 2.528 3.127 ( 0.000 2.177 0.000) 2.177 3.163 ( 0.000 1.558 0.000) 1.558 3.319 ( 0.000 6.105 0.000) 6.105 3.351 ( 0.000 -2.348 0.000) 2.348 3.385 ( 0.000 -1.057 0.000) 1.057 3.425 ( 0.000 -0.883 0.000) 0.883 3.519 ( 0.000 4.035 0.000) 4.035 3.525 ( 0.000 2.179 0.000) 2.179 3.605 ( 0.000 -0.026 0.000) 0.026 3.611 ( 0.000 -0.270 0.000) 0.270 3.652 ( 0.000 0.628 0.000) 0.628 3.653 ( 0.000 0.289 0.000) 0.289 3.711 ( 0.000 -0.612 0.000) 0.612 3.741 ( 0.000 -3.044 0.000) 3.044 3.745 ( 0.000 2.145 0.000) 2.145 3.765 ( 0.000 0.376 0.000) 0.376 3.769 ( 0.000 1.802 0.000) 1.802 3.846 ( 0.000 3.598 0.000) 3.598 3.880 ( 0.000 -0.544 0.000) 0.544 3.903 ( 0.000 0.471 0.000) 0.471 3.913 ( 0.000 0.339 0.000) 0.339 3.940 ( 0.000 -0.546 0.000) 0.546 3.961 ( 0.000 3.575 0.000) 3.575 4.019 ( 0.000 0.656 0.000) 0.656 4.022 ( 0.000 1.967 0.000) 1.967 4.088 ( 0.000 -1.069 0.000) 1.069 4.113 ( 0.000 2.015 0.000) 2.015 4.193 ( 0.000 -2.146 0.000) 2.146 4.209 ( 0.000 -2.581 0.000) 2.581 4.473 ( 0.000 2.403 0.000) 2.403 4.488 ( 0.000 2.575 0.000) 2.575 4.514 ( 0.000 1.887 0.000) 1.887 4.520 ( 0.000 1.362 0.000) 1.362 4.915 ( 0.000 2.010 0.000) 2.010 4.966 ( 0.000 3.791 0.000) 3.791 5.371 ( 0.000 -8.308 0.000) 8.308 5.444 ( 0.000 -7.338 0.000) 7.338 5.591 ( 0.000 0.459 0.000) 0.459 5.640 ( 0.000 0.541 0.000) 0.541 5.661 ( 0.000 -0.080 0.000) 0.080 5.683 ( 0.000 -1.002 0.000) 1.002 5.923 ( 0.000 5.892 0.000) 5.892 5.959 ( 0.000 7.512 0.000) 7.512 6.185 ( 0.000 -0.772 0.000) 0.772 6.202 ( 0.000 -0.450 0.000) 0.450 6.356 ( 0.000 -0.557 0.000) 0.557 6.401 ( 0.000 -0.737 0.000) 0.737 6.423 ( 0.000 -2.658 0.000) 2.658 6.490 ( 0.000 -3.056 0.000) 3.056 6.942 ( 0.000 0.178 0.000) 0.178 6.946 ( 0.000 -0.134 0.000) 0.134 6.958 ( 0.000 -0.256 0.000) 0.256 6.966 ( 0.000 -0.418 0.000) 0.418 14.568 ( 0.000 0.917 0.000) 0.917 14.571 ( 0.000 0.969 0.000) 0.969 14.619 ( 0.000 -0.963 0.000) 0.963 14.651 ( 0.000 -0.997 0.000) 0.997 15.128 ( 0.000 1.603 0.000) 1.603 15.142 ( 0.000 0.866 0.000) 0.866 15.158 ( 0.000 2.043 0.000) 2.043 15.179 ( 0.000 0.955 0.000) 0.955 15.428 ( 0.000 0.376 0.000) 0.376 15.451 ( 0.000 1.105 0.000) 1.105 15.560 ( 0.000 -2.628 0.000) 2.628 15.592 ( 0.000 -3.504 0.000) 3.504 15.697 ( 0.000 3.196 0.000) 3.196 15.724 ( 0.000 3.125 0.000) 3.125 15.898 ( 0.000 -1.357 0.000) 1.357 15.976 ( 0.000 -2.999 0.000) 2.999 16.091 ( 0.000 -2.411 0.000) 2.411 16.119 ( 0.000 -2.309 0.000) 2.309 16.139 ( 0.000 -2.801 0.000) 2.801 16.150 ( 0.000 -5.310 0.000) 5.310 17.488 ( 0.000 2.174 0.000) 2.174 17.576 ( 0.000 1.097 0.000) 1.097 17.605 ( 0.000 -1.797 0.000) 1.797 17.648 ( 0.000 -1.521 0.000) 1.521 17.837 ( 0.000 2.399 0.000) 2.399 17.953 ( 0.000 0.714 0.000) 0.714 17.999 ( 0.000 -0.999 0.000) 0.999 18.036 ( 0.000 -1.389 0.000) 1.389 18.068 ( 0.000 4.897 0.000) 4.897 18.172 ( 0.000 4.641 0.000) 4.641 18.331 ( 0.000 -1.876 0.000) 1.876 18.388 ( 0.000 -0.724 0.000) 0.724 18.587 ( 0.000 1.552 0.000) 1.552 18.637 ( 0.000 -0.442 0.000) 0.442 18.662 ( 0.000 1.349 0.000) 1.349 18.708 ( 0.000 4.280 0.000) 4.280 18.768 ( 0.000 -0.144 0.000) 0.144 18.883 ( 0.000 0.055 0.000) 0.055 19.173 ( 0.000 2.154 0.000) 2.154 19.255 ( 0.000 -0.334 0.000) 0.334 ======================= Grid point 11 (8/44) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 4.744 11.327 2.779) 12.591 0.658 ( 2.944 13.796 3.694) 14.582 0.947 ( -1.406 6.954 -5.609) 9.044 1.078 ( 4.763 3.966 -1.138) 6.301 1.103 ( -0.266 3.782 -0.535) 3.828 1.163 ( -2.605 4.022 -1.260) 4.955 1.194 ( -2.600 4.910 -0.499) 5.578 1.255 ( -1.152 0.008 -0.917) 1.472 1.278 ( 1.937 4.291 -1.249) 4.871 1.325 ( -2.114 1.916 2.956) 4.108 1.364 ( 1.886 0.162 3.446) 3.931 1.397 ( 0.942 1.101 2.192) 2.628 1.482 ( -1.183 1.621 0.561) 2.083 1.558 ( 4.676 3.632 -2.724) 6.518 1.578 ( 0.884 -0.828 -0.079) 1.214 1.626 ( 1.099 -1.411 1.538) 2.359 1.646 ( -0.703 4.762 1.025) 4.921 1.731 ( -0.523 1.689 0.468) 1.829 1.801 ( -0.108 -0.699 0.210) 0.738 1.838 ( 2.270 -0.190 -1.845) 2.931 1.894 ( -0.979 -1.772 2.021) 2.861 1.917 ( 1.694 2.419 1.195) 3.186 1.988 ( 0.743 -1.415 1.517) 2.203 2.019 ( 4.575 3.987 -0.118) 6.070 2.049 ( 0.746 0.150 -0.608) 0.974 2.099 ( 1.324 -3.818 -0.085) 4.042 2.148 ( -0.497 -2.482 -1.737) 3.070 2.198 ( -1.052 -1.093 -1.396) 2.062 2.273 ( -2.359 -0.547 1.509) 2.853 2.294 ( 2.462 -0.136 -0.297) 2.483 2.299 ( -0.627 -2.480 0.816) 2.685 2.334 ( -5.335 -1.056 0.855) 5.505 2.389 ( -1.623 -0.330 -0.989) 1.929 2.396 ( 1.552 0.704 -0.545) 1.789 2.447 ( 0.352 -1.747 -0.404) 1.827 2.455 ( -0.906 -2.419 -1.819) 3.159 2.524 ( -0.523 -3.307 -0.943) 3.479 2.542 ( -2.826 -1.560 -4.270) 5.353 2.608 ( -2.882 -1.772 -3.274) 4.708 2.627 ( -2.373 -1.304 0.100) 2.710 2.669 ( -0.959 -0.593 -0.473) 1.223 2.703 ( -2.170 -2.337 -0.586) 3.243 2.755 ( 0.271 -1.714 -0.041) 1.735 2.808 ( 1.499 -3.405 0.417) 3.744 2.859 ( -4.557 -3.807 1.906) 6.236 2.899 ( 0.110 0.706 -0.289) 0.771 2.926 ( 1.464 0.213 1.465) 2.081 2.940 ( -0.254 -1.567 4.077) 4.375 2.983 ( -0.480 1.330 1.166) 1.833 3.049 ( -4.555 2.109 0.954) 5.109 3.094 ( 0.174 -1.708 -0.951) 1.963 3.132 ( -1.178 0.367 1.897) 2.263 3.203 ( 2.429 0.976 -0.244) 2.629 3.286 ( -2.801 0.487 -0.931) 2.992 3.335 ( -2.508 1.572 -1.179) 3.186 3.384 ( -1.007 -1.487 -1.346) 2.245 3.466 ( 3.180 2.593 1.625) 4.413 3.496 ( -1.829 0.698 -1.918) 2.741 3.538 ( -0.310 1.343 0.511) 1.470 3.574 ( 0.992 0.337 0.826) 1.334 3.608 ( -0.201 1.764 0.359) 1.811 3.613 ( -2.015 2.814 -0.027) 3.461 3.657 ( 0.428 -0.789 -0.643) 1.104 3.698 ( 0.574 -0.303 0.127) 0.662 3.714 ( 0.027 -1.702 0.620) 1.811 3.748 ( 1.175 -2.610 -0.002) 2.862 3.790 ( 3.221 1.188 -0.071) 3.434 3.800 ( 1.469 1.187 -0.488) 1.951 3.879 ( -0.716 1.534 -0.400) 1.739 3.895 ( -1.123 0.084 0.218) 1.147 3.897 ( 0.559 -1.257 0.115) 1.380 3.924 ( -0.853 -2.388 -0.025) 2.536 3.959 ( 0.074 1.812 -0.606) 1.912 3.973 ( 3.423 1.989 0.927) 4.066 4.027 ( -0.775 -0.205 0.461) 0.925 4.056 ( -1.630 -0.498 0.392) 1.749 4.098 ( 5.035 0.021 -0.310) 5.045 4.145 ( 3.720 2.662 -0.051) 4.575 4.231 ( 3.545 0.721 0.206) 3.624 4.246 ( 3.569 0.243 -0.009) 3.577 4.475 ( -1.133 0.491 -0.540) 1.348 4.478 ( -0.153 1.402 0.314) 1.445 4.492 ( -1.681 3.120 0.181) 3.549 4.499 ( -1.881 1.566 0.066) 2.449 4.951 ( 3.454 1.064 0.084) 3.615 4.984 ( 2.014 2.819 -0.296) 3.477 5.313 ( -5.229 -5.962 0.172) 7.932 5.353 ( -7.128 -3.788 0.130) 8.073 5.619 ( 1.521 -2.000 -0.084) 2.514 5.650 ( 1.018 -1.069 -0.197) 1.490 5.673 ( 0.608 -1.101 0.142) 1.266 5.684 ( -0.100 -1.958 0.091) 1.963 5.964 ( 3.555 5.107 0.311) 6.230 5.996 ( 3.485 5.750 -0.142) 6.725 6.188 ( -0.274 -0.723 0.307) 0.832 6.200 ( -0.259 -0.941 -0.290) 1.018 6.349 ( -0.086 0.081 -0.551) 0.564 6.391 ( -0.785 -0.010 0.862) 1.166 6.441 ( 1.416 -2.187 -0.413) 2.638 6.490 ( -0.165 -2.023 0.002) 2.030 6.937 ( -0.381 0.001 0.089) 0.391 6.946 ( -0.809 -0.293 -0.096) 0.866 6.950 ( 0.045 -0.924 -0.183) 0.943 6.963 ( -0.386 -0.588 0.070) 0.707 14.555 ( -0.886 0.513 0.266) 1.058 14.563 ( -0.591 0.595 -0.585) 1.022 14.607 ( -1.167 -0.805 0.584) 1.533 14.634 ( -1.374 -0.818 -0.319) 1.631 15.126 ( 0.186 1.593 -0.246) 1.622 15.158 ( 1.030 1.052 1.100) 1.838 15.175 ( 1.556 1.272 -0.826) 2.173 15.216 ( 2.883 0.614 -0.094) 2.949 15.426 ( -0.012 1.213 -0.023) 1.214 15.445 ( -0.425 1.128 0.020) 1.206 15.528 ( -2.545 0.093 -0.179) 2.553 15.556 ( -2.834 -0.121 0.102) 2.839 15.734 ( 2.835 -0.160 -0.133) 2.843 15.767 ( 3.648 0.352 0.069) 3.666 15.912 ( 0.880 -2.404 0.259) 2.573 15.972 ( -0.322 -3.331 -0.430) 3.374 16.080 ( -0.974 -2.088 -0.146) 2.309 16.117 ( -0.345 -1.908 0.489) 2.000 16.130 ( -1.271 -3.451 0.294) 3.689 16.136 ( -0.604 -2.972 -0.709) 3.114 17.487 ( -0.020 1.768 -0.004) 1.768 17.540 ( -1.784 1.878 0.264) 2.604 17.606 ( -0.683 -2.299 -0.548) 2.460 17.641 ( -0.653 -2.028 -0.213) 2.141 17.862 ( 2.213 2.858 0.196) 3.620 17.963 ( 1.542 1.546 -1.771) 2.812 18.014 ( 0.595 -0.279 0.275) 0.712 18.048 ( -1.163 3.154 0.650) 3.424 18.066 ( 2.257 -0.473 -0.929) 2.486 18.171 ( 0.050 3.609 0.571) 3.655 18.300 ( -3.152 -1.874 1.025) 3.808 18.361 ( -2.433 -0.586 -0.265) 2.516 18.613 ( 1.005 1.492 2.016) 2.701 18.623 ( 0.778 1.222 -2.569) 2.949 18.694 ( 1.025 0.346 1.558) 1.897 18.729 ( 2.398 2.432 1.178) 3.613 18.790 ( 1.784 0.629 -0.545) 1.968 18.889 ( 1.058 0.193 -1.178) 1.595 19.133 ( -4.485 2.677 0.559) 5.253 19.179 ( -5.557 1.935 0.038) 5.884 ======================= Grid point 12 (9/44) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 10.235 5.554 2.806) 11.978 0.806 ( 6.686 8.693 5.480) 12.260 0.954 ( 4.171 3.138 -5.916) 7.889 1.008 ( -7.879 3.960 -2.802) 9.253 1.031 ( -6.305 3.688 -1.481) 7.454 1.064 ( -4.004 1.167 1.097) 4.313 1.177 ( 0.113 1.095 -0.716) 1.313 1.258 ( -1.515 -0.851 0.224) 1.752 1.305 ( 2.722 -2.353 0.273) 3.609 1.333 ( -0.660 -0.415 1.704) 1.874 1.350 ( 0.028 -3.824 -1.946) 4.291 1.408 ( -1.771 3.736 1.299) 4.334 1.516 ( 2.607 1.007 3.705) 4.641 1.562 ( 0.566 -0.423 -3.088) 3.168 1.634 ( 1.450 0.329 -0.303) 1.517 1.673 ( 1.946 -0.511 -0.977) 2.237 1.707 ( 2.507 1.179 1.502) 3.151 1.739 ( 2.054 5.534 2.484) 6.404 1.784 ( -1.280 -1.016 2.351) 2.863 1.848 ( -1.931 -4.800 -1.994) 5.544 1.907 ( 0.030 -0.464 -0.802) 0.928 1.946 ( 1.038 2.190 0.637) 2.506 1.990 ( -0.479 0.234 2.213) 2.276 2.045 ( -0.783 -2.345 2.179) 3.295 2.067 ( -0.486 1.470 -2.649) 3.068 2.105 ( -2.053 -0.132 -1.678) 2.655 2.126 ( -0.017 1.187 0.659) 1.358 2.149 ( 1.262 3.312 -1.480) 3.841 2.249 ( -1.376 -0.496 -0.079) 1.465 2.277 ( 1.566 -0.177 -0.996) 1.864 2.299 ( -0.472 2.113 1.612) 2.699 2.338 ( 1.241 -3.165 1.477) 3.707 2.398 ( -1.191 -1.565 -1.755) 2.635 2.421 ( 2.193 -0.545 -0.343) 2.286 2.441 ( -0.289 -2.383 -2.228) 3.275 2.480 ( 1.574 -0.471 0.243) 1.661 2.490 ( 1.567 -1.524 -0.312) 2.208 2.518 ( 3.371 0.282 -3.406) 4.800 2.569 ( -1.049 -0.243 -0.729) 1.300 2.617 ( -1.554 -1.295 -1.742) 2.669 2.621 ( -0.615 -1.981 0.894) 2.259 2.674 ( 0.549 0.499 -0.086) 0.747 2.722 ( -6.444 -0.800 1.197) 6.603 2.728 ( -3.605 0.499 2.552) 4.445 2.836 ( 0.353 0.797 0.401) 0.959 2.870 ( -1.204 0.135 -1.816) 2.183 2.901 ( -2.144 4.193 0.662) 4.755 2.962 ( -3.230 0.056 1.372) 3.510 2.979 ( 0.795 1.285 -0.946) 1.783 3.008 ( 0.156 1.100 1.629) 1.972 3.124 ( 2.434 1.706 0.348) 2.993 3.152 ( 3.050 -2.149 2.672) 4.590 3.185 ( -2.309 2.581 -1.235) 3.677 3.215 ( -3.166 -0.722 0.654) 3.313 3.286 ( -5.118 -1.927 -2.822) 6.154 3.289 ( -2.727 -2.659 1.188) 3.990 3.462 ( 2.413 3.923 -0.553) 4.639 3.550 ( 1.489 2.059 -0.276) 2.556 3.577 ( 1.187 3.938 0.439) 4.136 3.583 ( 0.292 0.174 -0.686) 0.766 3.613 ( -0.179 2.448 0.209) 2.463 3.636 ( 1.897 -1.802 0.271) 2.631 3.674 ( 2.164 -0.680 -0.082) 2.270 3.720 ( 1.275 -1.664 0.265) 2.113 3.752 ( 2.917 -2.019 0.408) 3.571 3.769 ( 0.317 -2.526 0.205) 2.554 3.786 ( -2.109 -0.246 -0.469) 2.174 3.846 ( -2.632 -1.008 0.141) 2.822 3.850 ( 1.930 0.503 -0.212) 2.006 3.888 ( -1.037 -0.254 -0.327) 1.117 3.909 ( 2.536 0.739 -0.223) 2.651 3.925 ( 1.557 -1.439 0.612) 2.207 3.949 ( -1.033 -0.723 0.071) 1.262 3.980 ( -1.697 -0.275 -0.690) 1.852 3.988 ( -3.195 -0.510 0.341) 3.253 4.016 ( -0.671 -1.481 0.501) 1.701 4.205 ( 3.770 4.059 0.154) 5.542 4.245 ( 4.749 4.239 -0.057) 6.366 4.299 ( 1.549 4.382 -0.108) 4.649 4.318 ( 2.119 3.988 0.099) 4.516 4.426 ( -1.826 -0.921 -0.110) 2.048 4.460 ( -1.200 -0.647 0.153) 1.372 4.466 ( -1.140 0.685 -0.134) 1.337 4.473 ( -0.710 0.705 0.097) 1.005 5.041 ( 3.849 -0.401 0.062) 3.871 5.054 ( 5.974 0.399 -0.409) 6.002 5.194 ( -6.119 -2.705 0.196) 6.693 5.200 ( -6.959 -1.355 0.203) 7.092 5.645 ( 1.076 -2.810 -0.102) 3.011 5.667 ( 0.514 -1.777 -0.132) 1.854 5.675 ( -0.450 -3.299 -0.056) 3.330 5.679 ( -0.236 -2.275 0.279) 2.304 6.038 ( 2.855 2.753 -0.309) 3.978 6.083 ( 4.284 2.266 0.625) 4.887 6.165 ( -2.025 -0.057 -0.482) 2.082 6.178 ( -1.699 -0.604 0.207) 1.815 6.351 ( 0.273 0.982 -0.209) 1.040 6.392 ( 0.460 1.448 0.282) 1.545 6.463 ( 0.633 -1.784 -0.047) 1.894 6.482 ( -0.443 -0.903 -0.041) 1.007 6.929 ( -0.353 -0.342 0.241) 0.548 6.933 ( -0.265 -0.419 -0.270) 0.564 6.943 ( -0.391 -1.197 -0.122) 1.265 6.955 ( -0.306 -0.905 0.065) 0.958 14.545 ( -0.478 -0.329 -0.346) 0.675 14.549 ( 0.001 -0.436 0.321) 0.541 14.591 ( -0.447 -0.178 0.372) 0.608 14.602 ( -1.194 -0.379 -0.348) 1.300 15.132 ( 0.347 1.388 -0.157) 1.439 15.186 ( 0.654 0.986 1.487) 1.901 15.194 ( 0.728 0.397 -1.310) 1.550 15.267 ( 1.662 -0.417 -0.088) 1.716 15.435 ( 0.917 2.222 -0.376) 2.433 15.446 ( 0.804 2.047 0.420) 2.239 15.474 ( -2.386 2.292 0.092) 3.310 15.498 ( -2.503 2.693 -0.209) 3.682 15.786 ( 1.852 -2.565 -0.188) 3.169 15.845 ( 3.153 -2.360 0.301) 3.950 15.919 ( -0.286 -4.568 -0.282) 4.585 15.955 ( -1.166 -3.960 0.153) 4.131 16.062 ( -0.316 -0.896 -0.307) 0.998 16.102 ( -0.996 -1.985 0.358) 2.249 16.114 ( -0.363 -1.225 0.268) 1.306 16.123 ( -0.205 -1.451 -0.472) 1.540 17.489 ( 0.163 1.145 0.000) 1.156 17.524 ( -0.155 1.619 0.100) 1.630 17.583 ( -0.864 -2.411 -0.185) 2.568 17.624 ( -0.613 -2.558 -0.102) 2.633 17.915 ( 2.403 4.176 0.168) 4.821 17.984 ( 0.832 2.871 -0.365) 3.011 18.005 ( -1.246 2.655 -1.443) 3.269 18.027 ( -0.528 0.277 0.955) 1.126 18.118 ( 2.414 -0.106 -0.699) 2.515 18.191 ( 1.395 0.734 0.979) 1.855 18.236 ( -3.169 -1.945 0.737) 3.790 18.302 ( -2.298 0.386 -0.710) 2.436 18.612 ( -0.146 0.793 -0.064) 0.809 18.652 ( 0.769 2.392 0.056) 2.513 18.727 ( 1.368 -1.164 0.910) 2.014 18.778 ( 0.646 0.230 0.379) 0.783 18.838 ( 3.756 2.899 0.464) 4.767 18.904 ( -0.090 1.705 -1.554) 2.309 19.030 ( -3.148 3.254 -0.100) 4.529 19.085 ( -3.933 2.129 0.772) 4.539 ======================= Grid point 15 (10/44) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.000 11.759 0.000) 11.759 0.962 ( 0.000 14.156 0.000) 14.156 0.980 ( 0.000 -8.533 0.000) 8.533 1.180 ( 0.000 -5.746 0.000) 5.746 1.199 ( 0.000 5.663 0.000) 5.663 1.211 ( 0.000 4.163 0.000) 4.163 1.285 ( 0.000 4.086 0.000) 4.086 1.334 ( 0.000 2.762 0.000) 2.762 1.336 ( 0.000 -2.208 0.000) 2.208 1.357 ( 0.000 2.956 0.000) 2.956 1.369 ( 0.000 2.592 0.000) 2.592 1.397 ( 0.000 -0.520 0.000) 0.520 1.521 ( 0.000 -1.861 0.000) 1.861 1.534 ( 0.000 -3.397 0.000) 3.397 1.571 ( 0.000 5.799 0.000) 5.799 1.639 ( 0.000 4.583 0.000) 4.583 1.703 ( 0.000 -0.540 0.000) 0.540 1.774 ( 0.000 7.687 0.000) 7.687 1.807 ( 0.000 -3.369 0.000) 3.369 1.834 ( 0.000 -1.910 0.000) 1.910 1.863 ( 0.000 -0.707 0.000) 0.707 1.940 ( 0.000 -2.912 0.000) 2.912 1.982 ( 0.000 2.632 0.000) 2.632 1.988 ( 0.000 3.661 0.000) 3.661 2.023 ( 0.000 -1.618 0.000) 1.618 2.048 ( 0.000 1.092 0.000) 1.092 2.098 ( 0.000 -6.107 0.000) 6.107 2.113 ( 0.000 -2.594 0.000) 2.594 2.235 ( 0.000 -0.956 0.000) 0.956 2.242 ( 0.000 -0.486 0.000) 0.486 2.308 ( 0.000 -0.348 0.000) 0.348 2.322 ( 0.000 -2.044 0.000) 2.044 2.382 ( 0.000 0.536 0.000) 0.536 2.400 ( 0.000 -1.846 0.000) 1.846 2.470 ( 0.000 1.508 0.000) 1.508 2.492 ( 0.000 -0.286 0.000) 0.286 2.536 ( 0.000 2.892 0.000) 2.892 2.573 ( 0.000 -0.550 0.000) 0.550 2.605 ( 0.000 -1.259 0.000) 1.259 2.638 ( 0.000 -3.552 0.000) 3.552 2.677 ( 0.000 -0.180 0.000) 0.180 2.691 ( 0.000 -1.085 0.000) 1.085 2.694 ( 0.000 -2.062 0.000) 2.062 2.702 ( 0.000 -2.053 0.000) 2.053 2.825 ( 0.000 -1.709 0.000) 1.709 2.844 ( 0.000 -3.473 0.000) 3.473 2.883 ( 0.000 0.917 0.000) 0.917 2.915 ( 0.000 0.011 0.000) 0.011 2.964 ( 0.000 -1.122 0.000) 1.122 3.007 ( 0.000 -4.036 0.000) 4.036 3.141 ( 0.000 5.127 0.000) 5.127 3.164 ( 0.000 1.517 0.000) 1.517 3.183 ( 0.000 -0.040 0.000) 0.040 3.266 ( 0.000 -6.145 0.000) 6.145 3.381 ( 0.000 0.499 0.000) 0.499 3.389 ( 0.000 0.058 0.000) 0.058 3.488 ( 0.000 5.557 0.000) 5.557 3.564 ( 0.000 -1.205 0.000) 1.205 3.582 ( 0.000 2.066 0.000) 2.066 3.590 ( 0.000 0.200 0.000) 0.200 3.631 ( 0.000 2.466 0.000) 2.466 3.662 ( 0.000 0.689 0.000) 0.689 3.665 ( 0.000 -0.186 0.000) 0.186 3.686 ( 0.000 -1.409 0.000) 1.409 3.711 ( 0.000 1.047 0.000) 1.047 3.776 ( 0.000 -2.525 0.000) 2.525 3.791 ( 0.000 1.462 0.000) 1.462 3.800 ( 0.000 0.985 0.000) 0.985 3.821 ( 0.000 0.631 0.000) 0.631 3.872 ( 0.000 0.759 0.000) 0.759 3.874 ( 0.000 -2.668 0.000) 2.668 3.909 ( 0.000 -2.367 0.000) 2.367 4.000 ( 0.000 5.941 0.000) 5.941 4.035 ( 0.000 2.944 0.000) 2.944 4.048 ( 0.000 0.199 0.000) 0.199 4.069 ( 0.000 3.552 0.000) 3.552 4.098 ( 0.000 1.849 0.000) 1.849 4.125 ( 0.000 -4.069 0.000) 4.069 4.130 ( 0.000 -1.638 0.000) 1.638 4.149 ( 0.000 -3.640 0.000) 3.640 4.503 ( 0.000 0.885 0.000) 0.885 4.516 ( 0.000 0.468 0.000) 0.468 4.517 ( 0.000 -0.416 0.000) 0.416 4.521 ( 0.000 -0.616 0.000) 0.616 5.018 ( 0.000 7.833 0.000) 7.833 5.096 ( 0.000 8.641 0.000) 8.641 5.194 ( 0.000 -9.356 0.000) 9.356 5.278 ( 0.000 -9.202 0.000) 9.202 5.611 ( 0.000 1.560 0.000) 1.560 5.647 ( 0.000 -1.765 0.000) 1.765 5.650 ( 0.000 0.462 0.000) 0.462 5.660 ( 0.000 -0.631 0.000) 0.631 6.047 ( 0.000 6.130 0.000) 6.130 6.099 ( 0.000 6.070 0.000) 6.070 6.146 ( 0.000 -3.526 0.000) 3.526 6.181 ( 0.000 -2.166 0.000) 2.166 6.350 ( 0.000 0.227 0.000) 0.227 6.373 ( 0.000 -2.070 0.000) 2.070 6.396 ( 0.000 0.428 0.000) 0.428 6.428 ( 0.000 -2.796 0.000) 2.796 6.945 ( 0.000 0.085 0.000) 0.085 6.945 ( 0.000 0.005 0.000) 0.005 6.955 ( 0.000 -0.017 0.000) 0.017 6.958 ( 0.000 -0.308 0.000) 0.308 14.585 ( 0.000 0.814 0.000) 0.814 14.597 ( 0.000 1.516 0.000) 1.516 14.601 ( 0.000 -0.834 0.000) 0.834 14.627 ( 0.000 -1.412 0.000) 1.412 15.152 ( 0.000 0.712 0.000) 0.712 15.155 ( 0.000 0.336 0.000) 0.336 15.191 ( 0.000 1.015 0.000) 1.015 15.195 ( 0.000 0.482 0.000) 0.482 15.452 ( 0.000 2.281 0.000) 2.281 15.474 ( 0.000 1.419 0.000) 1.419 15.510 ( 0.000 -2.347 0.000) 2.347 15.516 ( 0.000 -3.765 0.000) 3.765 15.775 ( 0.000 4.397 0.000) 4.397 15.802 ( 0.000 4.656 0.000) 4.656 15.855 ( 0.000 -3.248 0.000) 3.248 15.898 ( 0.000 -4.683 0.000) 4.683 16.054 ( 0.000 -0.989 0.000) 0.989 16.066 ( 0.000 -2.554 0.000) 2.554 16.089 ( 0.000 -0.585 0.000) 0.585 16.097 ( 0.000 -1.356 0.000) 1.356 17.528 ( 0.000 1.932 0.000) 1.932 17.566 ( 0.000 -1.991 0.000) 1.991 17.596 ( 0.000 0.972 0.000) 0.972 17.618 ( 0.000 -1.369 0.000) 1.369 17.898 ( 0.000 3.549 0.000) 3.549 17.964 ( 0.000 -2.743 0.000) 2.743 17.978 ( 0.000 1.586 0.000) 1.586 18.008 ( 0.000 -1.405 0.000) 1.405 18.171 ( 0.000 5.306 0.000) 5.306 18.264 ( 0.000 4.546 0.000) 4.546 18.268 ( 0.000 -4.285 0.000) 4.285 18.344 ( 0.000 -3.401 0.000) 3.401 18.618 ( 0.000 1.136 0.000) 1.136 18.631 ( 0.000 -0.313 0.000) 0.313 18.699 ( 0.000 2.435 0.000) 2.435 18.746 ( 0.000 -1.967 0.000) 1.967 18.797 ( 0.000 4.243 0.000) 4.243 18.862 ( 0.000 -2.221 0.000) 2.221 19.214 ( 0.000 1.847 0.000) 1.847 19.243 ( 0.000 -1.021 0.000) 1.021 ======================= Grid point 16 (11/44) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 2.028 10.049 1.527) 10.364 0.915 ( -1.113 8.401 1.889) 8.682 1.005 ( -0.189 -2.683 1.473) 3.067 1.104 ( -4.620 8.150 -3.826) 10.120 1.154 ( -2.598 -6.847 0.354) 7.332 1.197 ( -1.271 0.846 -0.907) 1.776 1.254 ( -4.239 0.111 -1.969) 4.675 1.284 ( 1.031 3.880 -0.341) 4.029 1.305 ( -5.910 -4.074 -1.544) 7.343 1.332 ( -0.173 1.995 -1.752) 2.660 1.345 ( -1.614 1.357 1.672) 2.691 1.427 ( -0.768 -2.470 2.499) 3.597 1.533 ( -1.603 1.788 2.416) 3.406 1.546 ( 0.586 0.569 0.907) 1.220 1.602 ( 3.163 1.830 -1.087) 3.813 1.668 ( 1.298 -3.449 -1.531) 3.990 1.705 ( 1.241 6.791 -0.526) 6.923 1.801 ( 1.665 3.790 0.046) 4.140 1.826 ( -0.544 -0.015 0.831) 0.994 1.838 ( -1.700 0.765 2.568) 3.174 1.853 ( 0.052 1.399 1.886) 2.349 1.954 ( 2.261 0.320 1.663) 2.825 1.964 ( -0.179 -0.613 1.757) 1.869 2.024 ( -0.266 -0.872 -1.231) 1.531 2.050 ( 3.831 -1.566 -2.235) 4.703 2.065 ( 2.793 -2.958 1.263) 4.260 2.101 ( 1.503 -0.589 -0.890) 1.844 2.142 ( 1.664 -3.293 1.580) 4.014 2.233 ( -0.353 0.803 0.228) 0.906 2.265 ( 0.326 -1.328 -0.630) 1.506 2.307 ( -0.421 0.805 -0.765) 1.187 2.344 ( -2.123 -1.411 -0.163) 2.554 2.360 ( 0.917 0.533 0.820) 1.340 2.394 ( -1.120 -2.054 -1.536) 2.799 2.460 ( -0.190 2.509 -2.740) 3.719 2.468 ( 1.870 2.342 0.496) 3.037 2.482 ( -2.831 0.999 0.064) 3.003 2.525 ( -3.852 -0.548 -2.161) 4.451 2.564 ( -1.034 -2.730 -1.415) 3.245 2.591 ( -0.333 -3.419 -0.194) 3.441 2.657 ( -0.543 -0.255 -4.267) 4.309 2.677 ( -0.210 -1.357 -1.075) 1.744 2.702 ( 0.608 -0.067 -0.324) 0.692 2.740 ( 0.833 -2.546 0.449) 2.716 2.815 ( -1.237 -0.832 0.801) 1.692 2.848 ( 0.819 -3.753 1.442) 4.104 2.948 ( 1.715 1.870 2.676) 3.688 2.956 ( 3.378 2.283 0.836) 4.162 2.996 ( 0.846 -1.284 0.849) 1.757 3.017 ( 1.686 -3.060 -0.543) 3.536 3.123 ( -1.788 3.913 0.347) 4.316 3.174 ( -0.826 2.094 2.182) 3.135 3.202 ( -0.160 0.336 1.196) 1.252 3.274 ( -0.760 -3.001 0.441) 3.127 3.344 ( -3.218 0.185 -2.755) 4.240 3.361 ( -1.473 -0.991 -0.881) 1.982 3.509 ( -0.268 0.578 -0.495) 0.807 3.512 ( -2.221 0.468 0.281) 2.287 3.563 ( -1.365 2.524 -0.133) 2.873 3.593 ( 1.630 0.852 1.150) 2.170 3.611 ( -0.033 -0.340 0.087) 0.352 3.641 ( 0.481 -1.518 -0.169) 1.602 3.680 ( -0.248 1.175 0.420) 1.272 3.700 ( 1.342 -1.230 0.524) 1.894 3.709 ( 0.281 3.097 -0.397) 3.135 3.734 ( -1.598 3.141 -0.168) 3.529 3.786 ( -0.772 -2.393 -0.570) 2.578 3.812 ( 1.400 -1.147 0.420) 1.858 3.847 ( 0.718 -0.751 -0.836) 1.333 3.872 ( 0.388 -1.095 0.075) 1.164 3.903 ( 0.418 0.142 0.672) 0.804 3.913 ( 0.543 -0.087 -0.113) 0.562 3.990 ( -2.121 1.308 -0.297) 2.510 4.004 ( -1.821 0.233 0.594) 1.929 4.028 ( -1.716 0.771 -0.473) 1.940 4.042 ( -2.605 -0.448 0.038) 2.644 4.138 ( 6.375 3.172 0.608) 7.146 4.192 ( 5.515 1.192 0.105) 5.643 4.215 ( 5.992 -1.752 0.243) 6.247 4.240 ( 6.394 -1.208 -0.428) 6.521 4.488 ( -1.759 0.713 0.262) 1.916 4.494 ( -1.428 1.526 -0.273) 2.107 4.506 ( -0.975 -0.660 0.148) 1.187 4.521 ( -0.818 -0.503 -0.156) 0.973 5.023 ( 0.660 6.104 0.217) 6.144 5.088 ( -0.588 6.699 -0.458) 6.740 5.173 ( -1.874 -7.286 0.434) 7.536 5.242 ( -3.239 -7.119 -0.135) 7.822 5.605 ( -0.416 0.647 0.170) 0.788 5.633 ( -0.740 -1.495 -0.121) 1.672 5.649 ( -0.573 -0.566 0.002) 0.805 5.656 ( -0.396 -0.777 -0.041) 0.873 6.067 ( 1.561 4.891 0.428) 5.152 6.101 ( 0.453 4.161 -0.291) 4.196 6.154 ( 0.384 -2.582 0.378) 2.637 6.173 ( -0.601 -2.043 -0.435) 2.174 6.360 ( 1.092 1.131 -0.261) 1.594 6.393 ( 1.469 -1.673 0.532) 2.289 6.405 ( 1.074 0.797 -0.338) 1.380 6.443 ( 1.119 -2.454 0.065) 2.698 6.936 ( -0.690 -0.027 0.053) 0.693 6.938 ( -0.672 -0.268 -0.009) 0.724 6.945 ( -0.743 0.131 -0.074) 0.758 6.952 ( -0.657 -0.504 0.007) 0.828 14.566 ( -1.500 0.563 0.156) 1.609 14.572 ( -1.664 0.116 -0.418) 1.720 14.598 ( -0.550 0.245 0.391) 0.718 14.615 ( -0.985 -1.076 -0.162) 1.468 15.152 ( 0.177 0.999 -0.015) 1.015 15.164 ( 0.591 -0.203 0.372) 0.727 15.206 ( 1.317 1.401 -0.288) 1.944 15.222 ( 2.081 -0.175 -0.211) 2.099 15.465 ( 1.039 2.618 0.269) 2.829 15.472 ( 0.144 1.649 -0.185) 1.666 15.510 ( -0.000 -1.622 -0.253) 1.642 15.527 ( 0.626 -2.660 0.247) 2.744 15.768 ( -0.491 3.366 -0.166) 3.405 15.806 ( 0.448 3.368 0.055) 3.398 15.848 ( -0.809 -3.857 -0.029) 3.941 15.891 ( -0.639 -4.537 -0.006) 4.582 16.052 ( 0.047 -0.472 -0.387) 0.612 16.067 ( 0.024 -2.046 0.017) 2.046 16.092 ( 0.194 -0.526 0.318) 0.644 16.098 ( 0.136 -1.136 -0.019) 1.144 17.521 ( -0.543 1.728 -0.039) 1.812 17.555 ( -1.034 -1.358 0.498) 1.778 17.578 ( -1.227 0.656 -0.596) 1.514 17.604 ( -1.183 -1.636 -0.045) 2.019 17.929 ( 2.747 3.725 0.227) 4.634 17.990 ( 2.397 -0.413 -1.157) 2.693 17.998 ( 1.580 -0.229 0.691) 1.740 18.026 ( 2.023 -1.738 -1.005) 2.851 18.145 ( -2.477 4.982 0.450) 5.582 18.238 ( -2.830 -4.061 0.605) 4.986 18.252 ( -1.147 4.086 0.248) 4.251 18.324 ( -1.698 -2.975 -0.267) 3.436 18.637 ( 0.504 1.147 1.004) 1.606 18.651 ( 1.764 0.291 1.051) 2.074 18.705 ( 0.601 1.760 -0.657) 1.973 18.746 ( 0.708 -1.471 -0.850) 1.840 18.825 ( 2.498 3.035 0.124) 3.933 18.875 ( 1.597 -1.658 -0.588) 2.376 19.176 ( -3.769 1.644 0.391) 4.130 19.195 ( -4.205 -0.167 0.047) 4.209 ======================= Grid point 17 (12/44) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 4.033 5.469 1.895) 7.054 0.959 ( 2.259 1.470 3.065) 4.081 0.999 ( -0.834 2.339 1.258) 2.784 1.033 ( 0.039 4.205 -2.419) 4.851 1.084 ( -5.747 0.722 -2.786) 6.427 1.108 ( -3.508 -2.655 -0.391) 4.417 1.186 ( -0.717 2.238 -0.456) 2.394 1.238 ( -0.796 -3.644 0.753) 3.806 1.281 ( -2.332 3.439 -1.261) 4.342 1.304 ( -0.129 2.089 0.126) 2.097 1.343 ( 0.597 -1.490 -0.949) 1.865 1.394 ( -1.235 -5.041 0.231) 5.195 1.546 ( 1.251 0.781 1.810) 2.335 1.550 ( -0.221 0.662 0.562) 0.896 1.644 ( 2.349 0.513 -1.674) 2.929 1.663 ( -0.105 -1.001 -0.375) 1.074 1.713 ( -1.524 0.995 0.947) 2.052 1.756 ( -2.961 -2.592 -1.294) 4.142 1.788 ( -2.838 1.669 1.046) 3.455 1.844 ( 0.902 -2.141 -0.408) 2.359 1.898 ( 0.402 4.874 1.293) 5.058 1.964 ( -1.377 -1.223 0.273) 1.862 1.984 ( -0.104 -0.376 2.615) 2.644 2.003 ( 0.503 -1.834 0.581) 1.989 2.078 ( -0.562 0.504 1.169) 1.392 2.109 ( 0.804 0.422 -0.734) 1.167 2.136 ( 0.858 0.760 -0.488) 1.246 2.193 ( 0.626 -1.479 -0.442) 1.665 2.247 ( -0.275 -1.056 0.681) 1.286 2.277 ( -0.601 -1.361 -0.144) 1.495 2.302 ( 4.687 3.981 0.675) 6.186 2.346 ( 3.169 0.026 1.763) 3.626 2.370 ( 0.040 1.740 -0.367) 1.779 2.411 ( -0.748 0.638 -3.008) 3.165 2.431 ( 0.336 -0.456 -2.347) 2.414 2.439 ( 2.339 -3.555 -0.236) 4.262 2.492 ( 2.058 0.220 -0.709) 2.187 2.517 ( 1.559 0.227 -1.615) 2.257 2.556 ( -1.583 -1.641 0.510) 2.336 2.578 ( -2.729 -0.736 0.331) 2.846 2.645 ( 1.581 2.396 -3.254) 4.339 2.684 ( -0.637 -1.268 -1.047) 1.763 2.706 ( 0.617 1.523 0.290) 1.669 2.735 ( -1.952 -0.768 1.223) 2.428 2.815 ( 2.292 -0.370 0.782) 2.450 2.846 ( 0.017 -2.439 0.438) 2.478 2.967 ( -0.063 2.846 0.016) 2.846 3.001 ( 0.345 1.549 -2.538) 2.993 3.043 ( -1.897 2.588 3.018) 4.405 3.047 ( 0.695 2.608 -0.865) 2.834 3.070 ( 1.945 -2.015 3.333) 4.353 3.157 ( -1.476 0.055 1.642) 2.209 3.176 ( -2.830 -2.779 2.325) 4.597 3.226 ( -2.747 -0.761 0.107) 2.852 3.244 ( -4.132 -0.486 -3.384) 5.363 3.258 ( -4.267 -0.285 -1.329) 4.479 3.532 ( 4.038 2.902 0.537) 5.002 3.567 ( 0.865 1.464 -0.281) 1.724 3.578 ( 2.849 -2.065 0.217) 3.525 3.610 ( 0.977 -1.687 -0.436) 1.998 3.630 ( 1.141 2.595 0.178) 2.841 3.664 ( -1.250 2.293 -0.208) 2.620 3.680 ( 0.221 -2.030 -0.062) 2.043 3.706 ( 0.251 0.070 0.422) 0.496 3.723 ( 0.266 1.337 -0.170) 1.374 3.736 ( 1.596 0.246 0.270) 1.638 3.767 ( -0.196 -1.389 0.062) 1.405 3.805 ( -2.282 -3.196 -0.325) 3.940 3.866 ( 1.432 0.744 -0.376) 1.657 3.877 ( 0.470 -0.528 -0.128) 0.718 3.913 ( 0.144 0.525 0.553) 0.776 3.925 ( 0.581 -0.272 0.111) 0.651 3.946 ( -1.284 0.909 -0.094) 1.576 3.971 ( -2.145 -1.239 0.019) 2.477 3.982 ( -1.270 0.514 -0.131) 1.376 3.996 ( -1.730 -0.687 0.178) 1.870 4.270 ( 4.897 2.857 0.092) 5.670 4.312 ( 5.138 1.541 0.465) 5.384 4.329 ( 4.134 -0.603 -0.283) 4.188 4.359 ( 4.551 -0.360 -0.147) 4.568 4.444 ( -2.984 2.389 -0.266) 3.832 4.450 ( -1.532 1.315 0.493) 2.078 4.477 ( -1.939 -0.766 -0.099) 2.087 4.482 ( -2.690 -0.379 -0.115) 2.719 5.050 ( 1.284 1.657 0.145) 2.101 5.078 ( 0.528 0.749 -0.349) 0.980 5.140 ( -1.388 -1.495 0.235) 2.054 5.165 ( -3.389 -2.193 0.053) 4.037 5.603 ( 0.188 -0.909 0.024) 0.928 5.618 ( -0.795 -2.191 0.211) 2.341 5.638 ( -0.135 -0.733 -0.157) 0.762 5.644 ( -0.537 -1.190 -0.126) 1.311 6.095 ( 0.686 2.724 -0.041) 2.809 6.122 ( 1.492 1.127 0.415) 1.915 6.152 ( -1.010 -1.083 -0.411) 1.537 6.160 ( -0.119 -0.940 0.137) 0.957 6.382 ( 0.862 2.000 -0.174) 2.184 6.424 ( 0.882 -1.576 0.463) 1.864 6.427 ( 0.938 1.338 -0.368) 1.675 6.460 ( 0.338 -1.398 0.037) 1.438 6.924 ( -0.400 -0.213 0.093) 0.463 6.925 ( -0.406 -0.427 -0.023) 0.589 6.929 ( -0.572 0.053 -0.115) 0.586 6.938 ( -0.502 -0.718 0.031) 0.877 14.541 ( -0.905 -0.050 -0.156) 0.920 14.543 ( -0.675 -0.228 0.136) 0.725 14.590 ( -0.297 0.071 0.146) 0.339 14.594 ( -0.673 -0.355 -0.128) 0.771 15.157 ( 0.212 1.097 -0.037) 1.118 15.175 ( 0.247 -0.792 0.192) 0.852 15.228 ( 0.755 1.694 -0.130) 1.860 15.254 ( 0.922 -0.946 -0.131) 1.327 15.479 ( 0.760 2.069 -0.115) 2.207 15.495 ( 1.057 2.230 0.384) 2.498 15.504 ( -0.311 0.679 -0.315) 0.810 15.532 ( -0.336 -0.023 0.126) 0.359 15.762 ( 0.097 0.945 -0.218) 0.975 15.820 ( 0.009 -1.875 0.885) 2.074 15.828 ( -0.057 -2.033 -0.921) 2.233 15.873 ( -0.979 -3.854 0.138) 3.979 16.053 ( 0.149 0.100 -0.236) 0.297 16.067 ( -0.006 -1.337 0.047) 1.338 16.097 ( 0.065 -0.393 0.220) 0.456 16.100 ( 0.092 -0.718 -0.077) 0.728 17.512 ( -0.243 1.251 -0.021) 1.274 17.540 ( -0.560 -1.492 0.313) 1.624 17.554 ( -0.596 1.045 -0.356) 1.255 17.582 ( -0.696 -1.731 -0.015) 1.866 17.999 ( 3.398 3.755 0.604) 5.100 18.025 ( 1.415 1.476 -1.056) 2.301 18.030 ( 1.054 0.330 -0.451) 1.192 18.075 ( 0.433 0.420 0.055) 0.605 18.091 ( -0.168 0.890 -0.306) 0.956 18.169 ( -4.189 -3.780 1.078) 5.744 18.237 ( -0.288 2.594 0.195) 2.617 18.286 ( -1.423 -1.941 -0.254) 2.420 18.643 ( 0.002 2.180 0.115) 2.183 18.688 ( 0.683 -2.056 0.742) 2.290 18.710 ( 0.337 2.816 -0.192) 2.843 18.761 ( 0.516 -1.943 -0.023) 2.011 18.894 ( 3.824 2.260 -0.045) 4.442 18.919 ( 2.306 -0.229 -0.848) 2.468 19.084 ( -4.116 2.062 0.165) 4.607 19.106 ( -3.834 -0.042 0.400) 3.856 ======================= Grid point 35 (13/44) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.239 ( -0.727 0.000 12.559) 12.580 0.240 ( 1.456 0.000 13.022) 13.104 0.524 ( -1.178 0.000 18.717) 18.754 0.704 ( -1.552 0.000 -11.045) 11.153 0.742 ( -0.365 0.000 -0.578) 0.684 1.006 ( -2.058 0.000 2.455) 3.204 1.050 ( -1.746 0.000 2.081) 2.716 1.183 ( 1.614 0.000 0.815) 1.809 1.293 ( -3.743 0.000 0.960) 3.864 1.321 ( 0.386 0.000 0.823) 0.909 1.395 ( 2.586 0.000 -2.349) 3.494 1.406 ( -1.263 0.000 1.712) 2.127 1.465 ( 4.889 0.000 2.031) 5.294 1.472 ( 1.633 0.000 -3.893) 4.221 1.490 ( -1.771 0.000 -1.119) 2.095 1.591 ( -0.482 0.000 -5.237) 5.259 1.591 ( -1.474 0.000 1.678) 2.233 1.665 ( 3.980 0.000 4.111) 5.722 1.674 ( 1.378 0.000 -4.889) 5.079 1.752 ( -0.905 0.000 0.575) 1.072 1.885 ( 0.066 0.000 2.784) 2.785 1.926 ( -1.575 0.000 3.085) 3.464 1.989 ( 0.984 0.000 -6.189) 6.267 2.045 ( -0.249 0.000 -1.259) 1.284 2.047 ( 1.791 0.000 1.776) 2.523 2.107 ( 1.306 0.000 -5.095) 5.260 2.199 ( -2.101 0.000 2.538) 3.295 2.269 ( -0.913 0.000 -1.098) 1.428 2.306 ( 0.791 0.000 -0.760) 1.097 2.335 ( -0.583 0.000 -0.542) 0.796 2.345 ( -0.635 0.000 0.577) 0.858 2.389 ( -3.866 0.000 -4.626) 6.028 2.398 ( 0.015 0.000 0.647) 0.648 2.474 ( -1.096 0.000 0.453) 1.186 2.551 ( -2.279 0.000 4.904) 5.408 2.584 ( 5.298 0.000 0.150) 5.300 2.593 ( 0.176 0.000 -3.237) 3.242 2.659 ( 0.248 0.000 0.339) 0.420 2.688 ( -3.861 0.000 -1.568) 4.167 2.701 ( 0.876 0.000 -1.251) 1.527 2.728 ( -1.157 0.000 -1.270) 1.718 2.731 ( -0.876 0.000 -0.160) 0.890 2.803 ( -1.379 0.000 -1.447) 1.999 2.823 ( 4.457 0.000 0.177) 4.461 2.887 ( 3.812 0.000 0.454) 3.838 2.940 ( -0.546 0.000 -1.861) 1.940 2.965 ( -1.323 0.000 1.061) 1.696 2.992 ( -1.273 0.000 0.701) 1.453 3.014 ( -4.470 0.000 1.893) 4.855 3.020 ( 0.069 0.000 3.697) 3.698 3.110 ( 4.012 0.000 3.076) 5.056 3.141 ( 6.438 0.000 3.116) 7.153 3.309 ( -1.181 0.000 -1.594) 1.984 3.322 ( -5.756 0.000 -2.453) 6.257 3.406 ( -2.712 0.000 2.579) 3.742 3.446 ( 5.157 0.000 1.661) 5.418 3.454 ( 0.116 0.000 0.620) 0.631 3.472 ( 0.305 0.000 0.247) 0.393 3.498 ( -4.693 0.000 -0.738) 4.751 3.532 ( 1.478 0.000 -1.735) 2.279 3.603 ( 6.710 0.000 -0.206) 6.713 3.610 ( -8.361 0.000 -0.968) 8.417 3.643 ( 1.902 0.000 0.342) 1.932 3.649 ( 5.371 0.000 -1.641) 5.617 3.693 ( 1.615 0.000 0.051) 1.616 3.707 ( -4.805 0.000 0.370) 4.819 3.748 ( 0.884 0.000 1.195) 1.486 3.751 ( -0.049 0.000 0.509) 0.512 3.782 ( 0.254 0.000 0.269) 0.370 3.783 ( -3.818 0.000 -0.324) 3.832 3.827 ( -0.407 0.000 -0.936) 1.020 3.854 ( 2.071 0.000 -2.785) 3.470 3.954 ( -1.137 0.000 1.964) 2.270 3.997 ( 1.331 0.000 -0.461) 1.409 4.067 ( -0.371 0.000 0.436) 0.573 4.085 ( 0.956 0.000 -0.242) 0.986 4.191 ( -0.902 0.000 -0.344) 0.966 4.196 ( 1.302 0.000 -0.430) 1.371 4.255 ( 0.999 0.000 0.934) 1.368 4.286 ( -0.728 0.000 -0.574) 0.928 4.332 ( 0.659 0.000 1.021) 1.216 4.371 ( -2.879 0.000 -0.864) 3.006 4.387 ( -0.281 0.000 0.338) 0.440 4.399 ( 1.446 0.000 -0.137) 1.452 4.939 ( 0.115 0.000 0.340) 0.359 4.953 ( -0.199 0.000 -0.288) 0.350 5.578 ( 4.003 0.000 0.013) 4.003 5.581 ( -7.181 0.000 -0.202) 7.184 5.602 ( 6.123 0.000 0.397) 6.136 5.617 ( -3.686 0.000 -0.311) 3.699 5.661 ( 0.710 0.000 0.303) 0.772 5.669 ( -0.733 0.000 -0.004) 0.733 5.780 ( -0.195 0.000 1.074) 1.091 5.837 ( 0.972 0.000 -1.318) 1.637 6.194 ( -0.478 0.000 -0.050) 0.481 6.199 ( 0.628 0.000 -0.300) 0.696 6.379 ( -1.084 0.000 0.713) 1.297 6.416 ( 0.807 0.000 -1.046) 1.321 6.492 ( -1.126 0.000 0.926) 1.458 6.520 ( 0.548 0.000 -0.395) 0.676 6.929 ( -0.051 0.000 0.033) 0.061 6.935 ( 0.523 0.000 -0.246) 0.578 6.968 ( -0.266 0.000 0.245) 0.362 6.976 ( 0.287 0.000 -0.081) 0.298 14.549 ( -0.247 0.000 0.006) 0.247 14.551 ( 0.230 0.000 -0.058) 0.237 14.651 ( 0.303 0.000 0.326) 0.445 14.666 ( -0.245 0.000 -0.305) 0.391 15.079 ( -0.536 0.000 -0.036) 0.537 15.093 ( 1.016 0.000 -0.923) 1.373 15.137 ( -0.775 0.000 1.049) 1.304 15.154 ( 0.410 0.000 0.059) 0.414 15.417 ( -0.047 0.000 0.230) 0.235 15.428 ( 0.108 0.000 -0.261) 0.282 15.629 ( -3.569 0.000 0.490) 3.602 15.651 ( 5.394 0.000 -0.603) 5.428 15.655 ( 4.154 0.000 0.176) 4.158 15.666 ( -5.918 0.000 -0.165) 5.920 15.934 ( -0.009 0.000 1.483) 1.483 16.010 ( -0.080 0.000 -1.848) 1.850 16.185 ( -0.894 0.000 0.793) 1.195 16.204 ( -0.306 0.000 1.489) 1.520 16.217 ( 0.067 0.000 -0.638) 0.642 16.271 ( 0.168 0.000 -1.400) 1.410 17.426 ( -0.072 0.000 0.158) 0.173 17.429 ( 0.022 0.000 0.045) 0.050 17.648 ( -2.399 0.000 0.697) 2.498 17.673 ( 0.339 0.000 -0.405) 0.528 17.809 ( 0.144 0.000 0.851) 0.863 17.856 ( -0.043 0.000 -1.136) 1.137 17.957 ( -1.198 0.000 0.462) 1.284 17.994 ( 1.991 0.000 -1.306) 2.381 18.069 ( 2.012 0.000 1.262) 2.374 18.086 ( 0.094 0.000 0.375) 0.387 18.322 ( 0.367 0.000 0.750) 0.835 18.355 ( 0.697 0.000 -0.615) 0.929 18.579 ( -1.352 0.000 -0.409) 1.413 18.599 ( -0.127 0.000 -1.623) 1.628 18.670 ( 1.127 0.000 1.975) 2.274 18.729 ( 0.087 0.000 -0.933) 0.937 18.861 ( 0.213 0.000 0.708) 0.739 18.891 ( -0.188 0.000 -0.578) 0.608 19.129 ( 0.389 0.000 0.964) 1.040 19.177 ( -1.434 0.000 -1.068) 1.788 ======================= Grid point 36 (14/44) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 11.325 0.000 7.667) 13.676 0.546 ( 11.615 0.000 10.996) 15.994 0.691 ( 9.970 0.000 -6.728) 12.028 0.756 ( 10.583 0.000 -8.996) 13.890 0.892 ( 11.774 0.000 14.102) 18.371 0.988 ( -2.063 0.000 1.711) 2.680 1.041 ( -2.213 0.000 2.094) 3.046 1.231 ( -0.989 0.000 -2.169) 2.384 1.272 ( 4.862 0.000 -0.657) 4.906 1.314 ( -2.267 0.000 3.008) 3.767 1.343 ( -1.055 0.000 -4.257) 4.386 1.397 ( 0.157 0.000 4.344) 4.347 1.493 ( 0.728 0.000 0.947) 1.195 1.523 ( 0.540 0.000 -2.550) 2.606 1.528 ( 6.201 0.000 -0.983) 6.278 1.643 ( 3.590 0.000 2.416) 4.327 1.668 ( 6.767 0.000 1.882) 7.024 1.678 ( 4.472 0.000 -4.815) 6.572 1.764 ( 2.346 0.000 -8.584) 8.899 1.769 ( 2.118 0.000 4.032) 4.554 1.859 ( -4.560 0.000 -4.353) 6.304 1.877 ( -1.669 0.000 3.513) 3.889 1.936 ( -1.716 0.000 -3.325) 3.742 2.008 ( -1.044 0.000 -2.811) 2.999 2.052 ( -4.271 0.000 0.932) 4.371 2.132 ( 3.546 0.000 2.291) 4.222 2.187 ( -7.342 0.000 0.005) 7.342 2.230 ( 1.348 0.000 -0.746) 1.541 2.274 ( -3.263 0.000 -0.139) 3.266 2.292 ( 0.795 0.000 -0.471) 0.924 2.338 ( 0.337 0.000 -1.701) 1.734 2.354 ( 2.205 0.000 0.948) 2.400 2.407 ( 0.849 0.000 -1.266) 1.524 2.425 ( -3.269 0.000 -0.017) 3.269 2.520 ( -3.806 0.000 4.420) 5.832 2.541 ( -6.081 0.000 -0.128) 6.082 2.568 ( 0.924 0.000 -4.727) 4.817 2.636 ( 0.422 0.000 -0.386) 0.572 2.656 ( -5.778 0.000 -0.918) 5.851 2.667 ( -5.709 0.000 -0.035) 5.709 2.703 ( -0.465 0.000 0.228) 0.518 2.707 ( -1.487 0.000 -0.275) 1.512 2.752 ( -0.350 0.000 0.525) 0.631 2.817 ( -3.041 0.000 -0.846) 3.156 2.866 ( -2.809 0.000 0.104) 2.811 2.888 ( -3.364 0.000 2.934) 4.464 2.980 ( -3.799 0.000 1.422) 4.057 2.980 ( 0.458 0.000 0.350) 0.576 3.020 ( 2.726 0.000 1.184) 2.972 3.096 ( -1.518 0.000 0.634) 1.645 3.109 ( -0.942 0.000 2.824) 2.977 3.144 ( -1.909 0.000 1.457) 2.401 3.248 ( -3.233 0.000 1.504) 3.565 3.291 ( -6.430 0.000 1.418) 6.584 3.299 ( 1.235 0.000 -0.674) 1.407 3.368 ( -5.093 0.000 0.103) 5.094 3.427 ( -6.872 0.000 -1.427) 7.018 3.442 ( 0.505 0.000 -1.898) 1.964 3.467 ( 0.493 0.000 1.717) 1.787 3.524 ( -7.371 0.000 -1.826) 7.594 3.611 ( 5.797 0.000 1.058) 5.893 3.629 ( 4.790 0.000 -2.219) 5.279 3.695 ( 4.652 0.000 -0.561) 4.686 3.708 ( 2.009 0.000 0.796) 2.161 3.746 ( 1.842 0.000 -0.240) 1.858 3.752 ( 2.656 0.000 -0.175) 2.662 3.759 ( 1.102 0.000 -0.613) 1.261 3.786 ( 2.938 0.000 0.024) 2.938 3.820 ( 2.443 0.000 1.168) 2.707 3.832 ( 2.692 0.000 -0.383) 2.719 3.850 ( 6.136 0.000 -1.861) 6.412 3.898 ( 2.253 0.000 -1.385) 2.645 3.956 ( 0.360 0.000 1.378) 1.424 4.025 ( 1.473 0.000 0.036) 1.473 4.050 ( -1.339 0.000 1.806) 2.248 4.052 ( -0.972 0.000 0.169) 0.987 4.163 ( -4.389 0.000 -0.045) 4.390 4.186 ( -4.516 0.000 -0.020) 4.516 4.240 ( -4.595 0.000 -1.062) 4.716 4.266 ( -3.404 0.000 -0.065) 3.405 4.305 ( 4.348 0.000 0.601) 4.389 4.326 ( 4.163 0.000 -0.102) 4.164 4.467 ( 3.526 0.000 0.270) 3.536 4.478 ( 3.355 0.000 -0.231) 3.363 4.973 ( 3.118 0.000 0.471) 3.153 4.976 ( 2.768 0.000 -0.351) 2.791 5.403 ( -8.579 0.000 -0.333) 8.585 5.415 ( -9.374 0.000 0.156) 9.376 5.676 ( 1.054 0.000 -0.269) 1.088 5.678 ( 1.885 0.000 0.158) 1.892 5.759 ( 3.051 0.000 1.335) 3.330 5.773 ( 2.670 0.000 -0.363) 2.695 5.802 ( 5.900 0.000 -0.480) 5.919 5.859 ( 6.268 0.000 -0.574) 6.294 6.187 ( -0.613 0.000 -0.278) 0.673 6.222 ( 0.980 0.000 0.206) 1.001 6.344 ( -2.005 0.000 -0.009) 2.005 6.413 ( -1.269 0.000 0.063) 1.271 6.487 ( 0.557 0.000 -0.066) 0.560 6.520 ( -0.484 0.000 0.146) 0.506 6.934 ( 0.421 0.000 0.239) 0.484 6.958 ( -0.770 0.000 0.286) 0.821 6.962 ( 0.972 0.000 -1.465) 1.758 6.982 ( 0.199 0.000 -0.715) 0.742 14.546 ( 0.083 0.000 -0.142) 0.164 14.557 ( 0.449 0.000 0.101) 0.460 14.639 ( -1.878 0.000 -0.540) 1.954 14.639 ( -1.572 0.000 0.495) 1.648 15.077 ( 0.581 0.000 -0.038) 0.582 15.112 ( 1.135 0.000 -0.940) 1.473 15.164 ( 2.544 0.000 1.078) 2.763 15.199 ( 3.387 0.000 -0.047) 3.387 15.408 ( -0.861 0.000 -0.169) 0.878 15.412 ( -1.377 0.000 0.023) 1.377 15.514 ( -5.393 0.000 0.661) 5.433 15.537 ( -5.961 0.000 -0.625) 5.994 15.765 ( 5.586 0.000 -0.259) 5.592 15.796 ( 6.655 0.000 0.097) 6.656 15.969 ( 2.287 0.000 1.410) 2.686 16.010 ( 1.087 0.000 -1.639) 1.967 16.163 ( -2.074 0.000 1.249) 2.421 16.180 ( -1.918 0.000 0.941) 2.136 16.190 ( -2.100 0.000 -0.739) 2.226 16.224 ( -3.401 0.000 -1.453) 3.698 17.440 ( 1.130 0.000 0.124) 1.137 17.442 ( 1.069 0.000 0.043) 1.070 17.665 ( 1.023 0.000 -0.300) 1.066 17.689 ( 1.069 0.000 0.387) 1.136 17.823 ( 0.799 0.000 0.783) 1.119 17.848 ( 0.157 0.000 -1.292) 1.302 17.945 ( -0.043 0.000 0.217) 0.222 18.034 ( 2.526 0.000 -0.326) 2.546 18.089 ( 0.159 0.000 0.094) 0.185 18.118 ( 2.321 0.000 -2.772) 3.615 18.296 ( -2.920 0.000 0.670) 2.996 18.321 ( -2.798 0.000 -1.377) 3.118 18.557 ( -0.366 0.000 -0.872) 0.946 18.624 ( 2.894 0.000 0.057) 2.895 18.719 ( 2.042 0.000 0.966) 2.259 18.742 ( 1.348 0.000 -1.269) 1.851 18.867 ( -0.905 0.000 1.080) 1.409 18.882 ( 0.098 0.000 -0.479) 0.489 18.972 ( -11.019 0.000 8.685) 14.030 19.085 ( -4.835 0.000 -0.528) 4.864 ======================= Grid point 37 (15/44) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 9.758 0.000 3.823) 10.480 0.753 ( -2.967 0.000 -1.653) 3.397 0.802 ( 6.205 0.000 11.031) 12.656 0.889 ( -1.488 0.000 0.607) 1.607 0.945 ( 4.236 0.000 -3.118) 5.260 0.984 ( 3.833 0.000 -1.260) 4.035 1.191 ( -1.793 0.000 2.181) 2.823 1.228 ( 5.077 0.000 4.090) 6.519 1.233 ( -4.126 0.000 -4.775) 6.311 1.337 ( 0.805 0.000 0.191) 0.827 1.439 ( 12.624 0.000 1.312) 12.692 1.464 ( 1.033 0.000 0.332) 1.085 1.494 ( -0.809 0.000 0.826) 1.156 1.527 ( 1.703 0.000 -2.010) 2.635 1.616 ( -8.284 0.000 -3.466) 8.980 1.662 ( -2.247 0.000 -7.538) 7.866 1.726 ( 2.617 0.000 3.735) 4.560 1.734 ( 3.771 0.000 -0.573) 3.814 1.771 ( 4.875 0.000 -6.221) 7.904 1.830 ( 3.060 0.000 5.039) 5.896 1.852 ( 0.363 0.000 6.230) 6.241 1.870 ( -1.856 0.000 1.700) 2.517 1.922 ( 1.867 0.000 -2.559) 3.168 1.973 ( 1.673 0.000 -1.039) 1.969 2.017 ( 2.789 0.000 0.049) 2.790 2.052 ( -4.456 0.000 -2.435) 5.077 2.187 ( -0.042 0.000 -1.378) 1.379 2.195 ( -2.414 0.000 3.974) 4.650 2.234 ( -0.832 0.000 -2.708) 2.833 2.251 ( -2.258 0.000 1.729) 2.844 2.342 ( -2.437 0.000 -2.525) 3.509 2.353 ( -2.453 0.000 -0.994) 2.647 2.395 ( -0.035 0.000 -1.119) 1.120 2.425 ( 5.485 0.000 0.744) 5.535 2.466 ( -1.617 0.000 -3.365) 3.733 2.531 ( 0.233 0.000 -1.799) 1.814 2.547 ( -2.302 0.000 0.346) 2.328 2.559 ( 0.309 0.000 0.705) 0.770 2.591 ( 1.430 0.000 -2.770) 3.117 2.633 ( -0.645 0.000 -1.277) 1.431 2.676 ( -5.031 0.000 -0.343) 5.043 2.685 ( 0.672 0.000 0.378) 0.771 2.733 ( -2.173 0.000 4.255) 4.778 2.750 ( -4.384 0.000 1.654) 4.686 2.784 ( -5.715 0.000 0.410) 5.729 2.820 ( -2.832 0.000 -1.001) 3.004 2.858 ( -0.738 0.000 4.209) 4.273 2.964 ( -0.358 0.000 -0.936) 1.002 3.023 ( -3.373 0.000 4.339) 5.496 3.050 ( -4.941 0.000 -2.013) 5.335 3.105 ( -3.675 0.000 1.843) 4.111 3.114 ( 1.673 0.000 2.435) 2.954 3.227 ( -0.057 0.000 -0.966) 0.968 3.246 ( 0.443 0.000 0.830) 0.941 3.282 ( -2.084 0.000 -0.490) 2.141 3.316 ( -2.877 0.000 -0.865) 3.005 3.370 ( 2.816 0.000 2.501) 3.766 3.438 ( 0.590 0.000 -2.589) 2.655 3.461 ( 1.243 0.000 0.047) 1.244 3.482 ( -0.241 0.000 -0.662) 0.705 3.680 ( 0.680 0.000 0.351) 0.765 3.683 ( 1.791 0.000 -1.346) 2.240 3.732 ( 0.688 0.000 -0.118) 0.698 3.743 ( 0.607 0.000 1.253) 1.392 3.787 ( 1.129 0.000 -0.284) 1.165 3.790 ( 3.168 0.000 -0.013) 3.168 3.824 ( -0.652 0.000 -1.081) 1.262 3.846 ( 5.079 0.000 -0.034) 5.079 3.873 ( 1.558 0.000 0.008) 1.558 3.875 ( 2.662 0.000 -0.629) 2.736 3.933 ( 1.143 0.000 0.563) 1.275 3.938 ( 2.970 0.000 -0.759) 3.065 3.953 ( -1.612 0.000 0.110) 1.616 4.029 ( -0.849 0.000 0.556) 1.015 4.035 ( -2.899 0.000 0.832) 3.016 4.051 ( 1.329 0.000 0.660) 1.483 4.091 ( -0.461 0.000 -0.043) 0.463 4.097 ( -2.912 0.000 -0.153) 2.916 4.157 ( -2.387 0.000 -1.195) 2.669 4.169 ( -4.865 0.000 -0.268) 4.872 4.422 ( 5.218 0.000 0.157) 5.220 4.426 ( 4.922 0.000 -0.158) 4.924 4.492 ( -1.346 0.000 0.130) 1.353 4.499 ( -1.324 0.000 -0.158) 1.333 5.062 ( 5.417 0.000 -0.100) 5.418 5.068 ( 5.578 0.000 0.223) 5.582 5.235 ( -8.009 0.000 0.177) 8.011 5.237 ( -7.063 0.000 -0.094) 7.064 5.700 ( 1.319 0.000 -0.106) 1.323 5.722 ( 2.167 0.000 0.208) 2.177 5.756 ( -1.653 0.000 -0.837) 1.853 5.756 ( -1.361 0.000 0.762) 1.560 5.971 ( 7.518 0.000 0.215) 7.521 6.031 ( 8.176 0.000 -0.242) 8.179 6.144 ( -3.686 0.000 -0.356) 3.704 6.187 ( -4.485 0.000 0.411) 4.504 6.344 ( 1.953 0.000 -0.454) 2.005 6.375 ( -2.137 0.000 0.544) 2.206 6.502 ( -1.409 0.000 0.650) 1.552 6.508 ( 1.377 0.000 -0.727) 1.557 6.939 ( -0.217 0.000 0.288) 0.361 6.949 ( -0.192 0.000 0.657) 0.685 6.966 ( 0.379 0.000 -0.928) 1.002 6.974 ( -0.251 0.000 -0.488) 0.549 14.555 ( 0.869 0.000 -0.084) 0.873 14.573 ( 0.985 0.000 0.212) 1.008 14.597 ( -1.619 0.000 -0.577) 1.719 14.604 ( -1.845 0.000 0.341) 1.876 15.095 ( 0.810 0.000 0.260) 0.851 15.128 ( 0.802 0.000 -0.926) 1.225 15.224 ( 1.857 0.000 1.368) 2.306 15.269 ( 2.957 0.000 -0.522) 3.003 15.386 ( -0.605 0.000 -0.664) 0.898 15.387 ( -1.035 0.000 0.197) 1.054 15.431 ( -3.407 0.000 -0.187) 3.412 15.432 ( -2.812 0.000 0.821) 2.930 15.862 ( 3.140 0.000 0.565) 3.191 15.909 ( 4.169 0.000 -0.905) 4.267 16.026 ( 2.207 0.000 0.388) 2.240 16.028 ( 0.835 0.000 -0.316) 0.893 16.108 ( -2.949 0.000 0.928) 3.092 16.141 ( -1.684 0.000 -0.881) 1.901 16.146 ( -2.655 0.000 -0.508) 2.703 16.157 ( -0.725 0.000 -0.357) 0.808 17.461 ( 0.626 0.000 0.083) 0.631 17.464 ( 0.864 0.000 -0.133) 0.874 17.675 ( 0.177 0.000 0.897) 0.914 17.705 ( -0.063 0.000 0.569) 0.573 17.841 ( 0.420 0.000 0.296) 0.513 17.850 ( 0.565 0.000 -0.789) 0.970 17.959 ( 0.942 0.000 1.219) 1.541 18.074 ( 0.382 0.000 -0.686) 0.785 18.095 ( 0.112 0.000 0.218) 0.246 18.145 ( 3.430 0.000 -3.111) 4.631 18.240 ( -2.212 0.000 0.209) 2.222 18.258 ( -2.165 0.000 -1.051) 2.406 18.555 ( 0.382 0.000 0.352) 0.520 18.694 ( 3.155 0.000 0.239) 3.164 18.731 ( -1.309 0.000 0.038) 1.310 18.754 ( -0.169 0.000 0.408) 0.442 18.804 ( -4.908 0.000 4.088) 6.387 18.908 ( -1.390 0.000 2.323) 2.707 18.911 ( 2.673 0.000 -0.014) 2.673 18.959 ( -4.874 0.000 -3.564) 6.038 ======================= Grid point 38 (16/44) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -12.415 0.000 6.353) 13.946 0.650 ( -12.975 0.000 2.031) 13.133 0.953 ( 1.971 0.000 -0.940) 2.183 0.972 ( 5.655 0.000 5.570) 7.938 1.078 ( 8.683 0.000 -3.767) 9.465 1.081 ( -5.168 0.000 1.079) 5.280 1.112 ( 4.780 0.000 0.909) 4.866 1.186 ( -0.997 0.000 2.003) 2.237 1.218 ( -17.797 0.000 1.882) 17.896 1.239 ( -10.975 0.000 -0.498) 10.986 1.350 ( -0.414 0.000 -0.734) 0.843 1.424 ( -1.508 0.000 -4.058) 4.329 1.496 ( -0.248 0.000 0.909) 0.942 1.509 ( -3.137 0.000 -0.795) 3.236 1.601 ( -0.350 0.000 -0.829) 0.900 1.630 ( 3.049 0.000 -3.198) 4.419 1.671 ( -2.807 0.000 -1.618) 3.240 1.770 ( -4.809 0.000 -2.579) 5.457 1.821 ( -0.281 0.000 4.148) 4.157 1.846 ( -2.489 0.000 1.124) 2.731 1.871 ( 1.628 0.000 1.665) 2.329 1.891 ( 1.695 0.000 -2.265) 2.829 1.941 ( -0.296 0.000 -1.898) 1.921 1.991 ( -1.708 0.000 0.481) 1.775 2.071 ( 4.025 0.000 5.052) 6.459 2.103 ( 2.070 0.000 2.200) 3.021 2.169 ( 2.316 0.000 -4.774) 5.306 2.213 ( 1.051 0.000 -3.139) 3.311 2.264 ( 4.121 0.000 2.752) 4.955 2.291 ( -1.048 0.000 -0.055) 1.050 2.316 ( 2.416 0.000 -0.835) 2.556 2.344 ( 7.271 0.000 2.809) 7.795 2.370 ( 3.230 0.000 -5.574) 6.442 2.401 ( -1.167 0.000 -1.859) 2.195 2.452 ( -3.713 0.000 -1.755) 4.107 2.538 ( 0.658 0.000 0.499) 0.826 2.548 ( 0.133 0.000 -2.627) 2.630 2.570 ( -1.260 0.000 -1.532) 1.984 2.604 ( 5.519 0.000 -1.749) 5.790 2.627 ( 1.905 0.000 -0.364) 1.939 2.651 ( -1.958 0.000 1.073) 2.233 2.675 ( -0.147 0.000 0.318) 0.350 2.711 ( 3.783 0.000 3.580) 5.209 2.755 ( 3.700 0.000 1.451) 3.975 2.798 ( 2.569 0.000 2.030) 3.274 2.821 ( 3.355 0.000 -1.144) 3.545 2.912 ( -2.163 0.000 -0.770) 2.296 2.963 ( -1.924 0.000 3.900) 4.349 3.000 ( 2.545 0.000 -1.240) 2.831 3.005 ( 4.927 0.000 5.055) 7.059 3.045 ( -2.185 0.000 0.743) 2.308 3.160 ( 0.985 0.000 0.986) 1.394 3.228 ( -0.315 0.000 -0.364) 0.482 3.240 ( -2.140 0.000 0.030) 2.140 3.282 ( 2.606 0.000 0.988) 2.787 3.299 ( 3.166 0.000 -0.968) 3.311 3.387 ( -2.291 0.000 0.663) 2.385 3.453 ( 1.585 0.000 -1.264) 2.027 3.461 ( -1.338 0.000 -0.633) 1.480 3.486 ( 0.752 0.000 -0.391) 0.848 3.662 ( -2.216 0.000 -0.312) 2.238 3.700 ( 0.672 0.000 -0.585) 0.891 3.736 ( -2.020 0.000 0.120) 2.024 3.745 ( -0.058 0.000 0.847) 0.849 3.773 ( -2.141 0.000 -0.418) 2.182 3.793 ( -0.533 0.000 -0.122) 0.547 3.835 ( -3.106 0.000 -1.239) 3.344 3.836 ( -0.652 0.000 0.256) 0.701 3.885 ( -2.832 0.000 0.009) 2.832 3.906 ( -0.774 0.000 -1.014) 1.276 3.914 ( -1.253 0.000 -0.091) 1.256 3.927 ( -1.680 0.000 0.359) 1.718 3.968 ( 0.835 0.000 1.512) 1.727 4.004 ( 0.135 0.000 -2.184) 2.188 4.044 ( -0.307 0.000 3.015) 3.031 4.051 ( -0.809 0.000 0.269) 0.852 4.084 ( 1.622 0.000 -0.460) 1.686 4.108 ( 2.086 0.000 0.538) 2.154 4.145 ( 3.954 0.000 -1.218) 4.137 4.162 ( 3.167 0.000 -0.810) 3.269 4.422 ( -5.112 0.000 0.101) 5.113 4.429 ( -4.654 0.000 -0.115) 4.655 4.491 ( 1.196 0.000 0.137) 1.204 4.498 ( 1.449 0.000 -0.166) 1.458 5.061 ( -5.937 0.000 -0.056) 5.937 5.068 ( -5.016 0.000 0.177) 5.019 5.235 ( 7.555 0.000 0.082) 7.556 5.243 ( 7.724 0.000 -0.007) 7.724 5.712 ( -2.005 0.000 -0.476) 2.061 5.715 ( -0.997 0.000 0.609) 1.168 5.735 ( 0.132 0.000 -0.134) 0.188 5.767 ( 1.841 0.000 0.051) 1.841 5.995 ( -6.785 0.000 1.251) 6.899 6.005 ( -7.794 0.000 -1.277) 7.898 6.161 ( 3.257 0.000 -0.863) 3.370 6.179 ( 4.247 0.000 0.921) 4.345 6.347 ( -0.156 0.000 -0.620) 0.640 6.371 ( 0.243 0.000 0.719) 0.759 6.489 ( 0.247 0.000 0.080) 0.259 6.522 ( 0.196 0.000 -0.167) 0.257 6.939 ( -0.072 0.000 0.256) 0.266 6.951 ( 0.096 0.000 0.652) 0.659 6.970 ( 0.303 0.000 -0.571) 0.646 6.979 ( 1.279 0.000 -0.877) 1.551 14.562 ( -0.926 0.000 -0.381) 1.001 14.568 ( -0.716 0.000 0.548) 0.902 14.589 ( 1.371 0.000 -0.375) 1.421 14.610 ( 1.980 0.000 0.089) 1.982 15.100 ( -0.558 0.000 0.450) 0.717 15.124 ( -0.659 0.000 -1.092) 1.275 15.226 ( -2.472 0.000 1.416) 2.849 15.265 ( -2.982 0.000 -0.601) 3.042 15.376 ( 0.988 0.000 -0.126) 0.996 15.398 ( 1.159 0.000 -0.528) 1.274 15.423 ( 2.424 0.000 0.621) 2.503 15.446 ( 3.731 0.000 0.199) 3.737 15.868 ( -2.837 0.000 0.852) 2.962 15.901 ( -4.415 0.000 -1.165) 4.566 16.018 ( -3.017 0.000 0.069) 3.018 16.040 ( 0.664 0.000 -0.174) 0.686 16.099 ( 1.234 0.000 0.911) 1.534 16.144 ( 3.105 0.000 -0.736) 3.191 16.155 ( 1.135 0.000 -0.880) 1.436 16.157 ( 2.892 0.000 -0.083) 2.893 17.461 ( -0.679 0.000 0.058) 0.681 17.466 ( -0.650 0.000 -0.127) 0.662 17.696 ( -0.778 0.000 -0.054) 0.780 17.696 ( 1.354 0.000 1.550) 2.058 17.842 ( -0.421 0.000 -0.027) 0.422 17.857 ( 0.467 0.000 -0.431) 0.635 17.986 ( 0.131 0.000 2.529) 2.533 18.044 ( -1.606 0.000 -1.596) 2.264 18.087 ( -0.844 0.000 0.018) 0.844 18.189 ( 0.599 0.000 -6.161) 6.190 18.232 ( 1.512 0.000 -0.068) 1.513 18.246 ( 2.880 0.000 -0.315) 2.897 18.584 ( 1.162 0.000 4.703) 4.844 18.677 ( -2.582 0.000 -1.389) 2.932 18.725 ( -1.268 0.000 -0.343) 1.313 18.728 ( -3.007 0.000 6.412) 7.082 18.770 ( -0.309 0.000 -1.030) 1.075 18.877 ( -0.271 0.000 -1.449) 1.474 18.889 ( -1.419 0.000 0.583) 1.534 18.993 ( 4.569 0.000 -0.978) 4.672 ======================= Grid point 39 (17/44) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( -14.675 0.000 5.821) 15.788 0.383 ( -11.654 0.000 11.074) 16.076 0.715 ( -25.923 0.000 10.099) 27.820 0.838 ( -5.924 0.000 -5.572) 8.133 0.934 ( -13.220 0.000 -7.290) 15.097 1.047 ( -2.068 0.000 4.659) 5.097 1.090 ( -0.342 0.000 2.570) 2.593 1.165 ( -0.916 0.000 2.002) 2.202 1.258 ( 9.225 0.000 -2.233) 9.491 1.261 ( 5.300 0.000 0.675) 5.343 1.374 ( -3.825 0.000 0.777) 3.903 1.385 ( 1.373 0.000 0.544) 1.477 1.447 ( -0.815 0.000 -2.782) 2.899 1.503 ( 0.067 0.000 0.259) 0.268 1.520 ( -4.113 0.000 -1.256) 4.301 1.630 ( -1.462 0.000 0.382) 1.512 1.644 ( -1.805 0.000 -1.566) 2.390 1.667 ( -0.744 0.000 -1.876) 2.018 1.718 ( -8.242 0.000 1.042) 8.308 1.816 ( -1.525 0.000 -1.155) 1.913 1.866 ( -1.706 0.000 -0.226) 1.721 1.920 ( 0.153 0.000 2.819) 2.823 1.951 ( 3.109 0.000 -2.911) 4.259 2.005 ( 2.492 0.000 1.008) 2.688 2.061 ( -0.747 0.000 -3.989) 4.058 2.118 ( 0.193 0.000 -2.923) 2.929 2.232 ( 1.824 0.000 -1.447) 2.329 2.275 ( 3.740 0.000 2.030) 4.256 2.315 ( 5.831 0.000 -1.884) 6.128 2.315 ( -2.877 0.000 0.035) 2.877 2.331 ( -1.651 0.000 1.806) 2.447 2.337 ( -0.249 0.000 -0.346) 0.426 2.410 ( 0.470 0.000 -1.170) 1.261 2.483 ( 2.516 0.000 -1.207) 2.790 2.486 ( 6.283 0.000 4.087) 7.495 2.510 ( -2.041 0.000 -1.318) 2.430 2.553 ( 2.726 0.000 -2.477) 3.683 2.629 ( 5.436 0.000 -0.552) 5.464 2.650 ( 3.117 0.000 -0.187) 3.123 2.675 ( 4.468 0.000 -2.018) 4.903 2.723 ( 2.067 0.000 1.015) 2.303 2.726 ( 2.533 0.000 0.480) 2.578 2.784 ( 5.598 0.000 -1.640) 5.833 2.804 ( -1.701 0.000 0.001) 1.701 2.868 ( 1.076 0.000 -1.296) 1.684 2.874 ( -2.230 0.000 4.106) 4.672 2.902 ( 7.606 0.000 2.455) 7.992 2.985 ( -1.328 0.000 3.968) 4.184 3.019 ( -1.002 0.000 0.921) 1.361 3.067 ( 2.701 0.000 1.300) 2.997 3.093 ( -3.021 0.000 2.127) 3.695 3.114 ( -3.237 0.000 0.040) 3.237 3.249 ( 5.752 0.000 2.725) 6.365 3.291 ( 4.946 0.000 1.430) 5.148 3.349 ( -0.193 0.000 -3.381) 3.386 3.378 ( 5.907 0.000 -0.124) 5.908 3.382 ( 1.460 0.000 2.398) 2.808 3.464 ( 0.181 0.000 -3.773) 3.778 3.471 ( 7.466 0.000 0.617) 7.492 3.527 ( 5.500 0.000 -0.838) 5.563 3.581 ( -5.763 0.000 -0.013) 5.763 3.655 ( -5.241 0.000 -1.112) 5.357 3.708 ( -1.343 0.000 -0.392) 1.399 3.725 ( -2.731 0.000 0.560) 2.788 3.743 ( -1.512 0.000 0.415) 1.568 3.752 ( -2.558 0.000 -0.660) 2.641 3.765 ( -4.258 0.000 -1.565) 4.536 3.792 ( -2.590 0.000 0.209) 2.599 3.803 ( -3.807 0.000 1.365) 4.044 3.849 ( -2.011 0.000 -0.756) 2.149 3.868 ( -1.202 0.000 -2.908) 3.146 3.888 ( -3.821 0.000 -1.326) 4.045 3.972 ( -1.483 0.000 2.104) 2.574 3.992 ( 0.346 0.000 -0.778) 0.852 4.032 ( -1.811 0.000 3.581) 4.013 4.059 ( 0.663 0.000 0.430) 0.790 4.171 ( 5.097 0.000 0.457) 5.117 4.174 ( 2.976 0.000 -0.629) 3.042 4.228 ( 4.629 0.000 -0.575) 4.664 4.240 ( 3.061 0.000 0.040) 3.062 4.324 ( -3.404 0.000 0.426) 3.430 4.340 ( -2.297 0.000 -0.420) 2.335 4.465 ( -3.681 0.000 0.250) 3.690 4.477 ( -3.262 0.000 -0.200) 3.269 4.966 ( -3.049 0.000 0.114) 3.051 4.985 ( -2.832 0.000 0.025) 2.832 5.405 ( 8.922 0.000 -0.281) 8.927 5.422 ( 9.253 0.000 -0.227) 9.256 5.673 ( -1.419 0.000 -0.157) 1.428 5.683 ( -1.639 0.000 0.016) 1.640 5.743 ( -0.916 0.000 0.621) 1.107 5.800 ( 0.698 0.000 0.627) 0.939 5.812 ( -9.391 0.000 -2.060) 9.614 5.832 ( -8.031 0.000 0.882) 8.079 6.197 ( 0.503 0.000 -0.815) 0.958 6.212 ( -0.872 0.000 0.731) 1.138 6.377 ( 3.217 0.000 -1.422) 3.518 6.379 ( 0.096 0.000 1.444) 1.447 6.505 ( 1.159 0.000 -0.628) 1.318 6.515 ( -0.982 0.000 0.521) 1.112 6.934 ( -0.423 0.000 0.190) 0.463 6.963 ( 0.464 0.000 0.501) 0.682 6.972 ( 0.197 0.000 -0.355) 0.405 6.989 ( -0.277 0.000 -3.315) 3.326 14.550 ( -0.144 0.000 -0.300) 0.333 14.556 ( -0.499 0.000 0.220) 0.546 14.626 ( 1.860 0.000 -0.029) 1.860 14.650 ( 1.716 0.000 -0.033) 1.716 15.088 ( -0.645 0.000 0.411) 0.765 15.098 ( -0.741 0.000 -1.178) 1.392 15.173 ( -2.967 0.000 1.180) 3.193 15.190 ( -3.337 0.000 -0.338) 3.354 15.409 ( 1.745 0.000 -0.115) 1.749 15.411 ( 0.515 0.000 -0.027) 0.516 15.517 ( 5.650 0.000 0.206) 5.654 15.542 ( 5.401 0.000 -0.473) 5.422 15.775 ( -6.653 0.000 -0.755) 6.696 15.784 ( -5.393 0.000 0.592) 5.426 15.956 ( -2.703 0.000 0.778) 2.812 16.030 ( -0.796 0.000 -1.108) 1.364 16.152 ( 2.913 0.000 1.231) 3.163 16.181 ( 1.231 0.000 -0.102) 1.235 16.196 ( 2.155 0.000 -0.459) 2.203 16.234 ( 3.828 0.000 -1.050) 3.970 17.440 ( -1.169 0.000 0.121) 1.175 17.443 ( -1.211 0.000 -0.004) 1.211 17.680 ( -0.613 0.000 -0.346) 0.704 17.736 ( 0.908 0.000 -0.977) 1.334 17.820 ( -1.633 0.000 -0.825) 1.830 17.861 ( 0.164 0.000 -0.682) 0.702 17.982 ( -1.682 0.000 1.717) 2.404 18.005 ( -1.203 0.000 -2.616) 2.879 18.080 ( 0.177 0.000 0.274) 0.326 18.103 ( -4.170 0.000 -5.932) 7.251 18.282 ( 2.720 0.000 0.220) 2.729 18.312 ( 3.045 0.000 -0.268) 3.057 18.610 ( -1.696 0.000 2.018) 2.636 18.627 ( -1.060 0.000 -2.248) 2.485 18.675 ( -2.546 0.000 0.957) 2.720 18.750 ( -1.137 0.000 -0.691) 1.330 18.837 ( 7.513 0.000 12.004) 14.161 18.875 ( 2.619 0.000 5.797) 6.361 18.888 ( 0.759 0.000 -0.190) 0.782 19.078 ( 3.980 0.000 -0.520) 4.014 ======================= Grid point 40 (18/44) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( -1.189 12.917 7.918) 15.197 0.447 ( 1.628 12.058 10.223) 15.892 0.666 ( -1.569 14.431 11.283) 18.385 0.772 ( -2.679 6.565 -9.789) 12.087 0.852 ( 1.249 9.597 -3.456) 10.276 1.072 ( 1.665 5.571 2.374) 6.281 1.113 ( -2.967 5.197 -0.719) 6.027 1.194 ( 0.940 0.662 -1.582) 1.955 1.295 ( -2.990 0.788 2.725) 4.122 1.334 ( 0.793 1.279 1.433) 2.078 1.405 ( 0.336 2.803 1.565) 3.228 1.426 ( -2.438 -0.032 1.690) 2.967 1.435 ( 4.918 -3.086 1.855) 6.096 1.491 ( -1.393 1.496 -3.055) 3.676 1.532 ( 0.399 2.889 -1.313) 3.198 1.556 ( 0.837 1.751 -1.437) 2.415 1.631 ( 3.837 0.682 1.427) 4.151 1.684 ( -1.715 4.970 -2.383) 5.773 1.753 ( -1.535 1.573 -2.509) 3.336 1.781 ( 2.410 3.370 1.130) 4.294 1.865 ( -0.249 -1.267 0.856) 1.549 1.897 ( -1.785 -2.275 3.114) 4.249 1.987 ( 2.508 -0.728 -1.694) 3.112 2.025 ( 1.156 -1.736 -3.650) 4.203 2.047 ( 0.213 -0.527 1.766) 1.855 2.108 ( -0.963 -0.038 -6.240) 6.314 2.170 ( -0.758 -2.122 0.110) 2.256 2.216 ( 0.973 -2.750 -1.009) 3.087 2.266 ( -2.651 -2.478 1.563) 3.951 2.283 ( 1.533 -2.653 -2.489) 3.948 2.348 ( -1.223 -0.486 -0.567) 1.433 2.392 ( -0.880 0.062 -2.533) 2.682 2.413 ( -0.264 0.992 1.930) 2.186 2.458 ( -0.789 -1.186 1.704) 2.221 2.505 ( 0.811 -3.525 0.688) 3.682 2.539 ( -0.654 -2.060 0.819) 2.311 2.601 ( 0.312 -3.074 -0.767) 3.184 2.622 ( 1.304 -3.524 -4.572) 5.918 2.669 ( -2.120 -1.668 -0.093) 2.699 2.685 ( -0.065 -1.712 -1.247) 2.119 2.706 ( 0.017 0.714 -0.152) 0.731 2.750 ( -1.671 0.150 -0.107) 1.681 2.791 ( -1.499 -2.785 0.675) 3.234 2.852 ( 0.790 -1.411 0.864) 1.834 2.881 ( 4.377 2.348 0.046) 4.967 2.920 ( 1.980 -3.650 1.578) 4.442 2.952 ( 0.463 0.660 -0.524) 0.962 2.952 ( -1.478 -1.490 0.111) 2.101 3.047 ( -0.983 2.941 0.926) 3.237 3.066 ( 0.676 1.192 4.442) 4.648 3.104 ( -0.947 2.758 2.550) 3.873 3.168 ( 1.561 1.528 2.059) 3.002 3.232 ( -0.742 -6.319 0.533) 6.385 3.281 ( -0.014 -3.754 -2.437) 4.476 3.379 ( 0.143 -2.908 -0.496) 2.954 3.426 ( 1.893 -2.555 1.206) 3.401 3.455 ( -3.165 -2.583 -1.668) 4.413 3.477 ( -0.256 3.638 3.005) 4.726 3.493 ( -2.344 0.106 -1.197) 2.634 3.572 ( -1.289 4.316 -1.628) 4.790 3.625 ( 3.563 0.012 0.474) 3.594 3.642 ( 0.738 0.141 -0.959) 1.218 3.649 ( -0.682 0.749 0.548) 1.152 3.681 ( 3.423 2.247 -0.649) 4.146 3.719 ( -0.875 1.196 0.285) 1.509 3.729 ( -1.470 2.308 -0.085) 2.737 3.747 ( -2.091 1.940 -0.278) 2.865 3.779 ( 0.072 0.191 0.222) 0.302 3.790 ( 1.070 0.570 0.211) 1.231 3.831 ( 0.229 2.686 -2.125) 3.433 3.851 ( -2.563 3.999 -0.172) 4.753 3.883 ( 1.549 2.927 -1.101) 3.490 3.939 ( 0.947 -2.101 0.896) 2.473 3.946 ( -0.774 -2.414 0.892) 2.687 4.027 ( 1.262 -1.077 2.153) 2.718 4.073 ( -1.413 -0.370 -0.429) 1.522 4.107 ( 1.741 -4.647 1.066) 5.076 4.147 ( -0.716 -3.957 -0.080) 4.022 4.232 ( -0.714 -1.729 0.738) 2.011 4.256 ( 0.733 -2.363 -0.333) 2.496 4.403 ( 0.742 4.617 0.221) 4.682 4.418 ( -0.604 3.970 -0.233) 4.023 4.443 ( -1.401 4.535 0.558) 4.779 4.458 ( 1.086 4.306 -0.079) 4.442 4.923 ( 0.040 -1.355 0.219) 1.373 4.941 ( -0.111 -0.829 -0.429) 0.940 5.519 ( -0.242 -5.325 0.744) 5.382 5.551 ( 0.294 -3.903 -0.595) 3.959 5.595 ( 0.272 -0.253 0.459) 0.590 5.621 ( -0.521 0.362 -0.704) 0.948 5.665 ( 0.387 0.399 0.595) 0.814 5.683 ( -0.467 0.917 -0.148) 1.040 5.829 ( 0.371 4.637 0.600) 4.690 5.849 ( -0.104 2.452 0.344) 2.478 6.192 ( 0.119 -0.117 0.029) 0.170 6.201 ( 0.083 0.091 -0.360) 0.380 6.373 ( -0.987 -0.556 0.634) 1.298 6.407 ( 1.162 -0.787 -0.912) 1.674 6.477 ( -0.824 -1.417 1.022) 1.931 6.521 ( 0.332 -0.945 -1.285) 1.629 6.937 ( 0.184 0.165 -0.142) 0.284 6.940 ( -0.097 0.424 -0.521) 0.679 6.966 ( -0.195 -0.212 0.238) 0.373 6.973 ( 0.193 -0.278 -0.056) 0.343 14.551 ( 0.080 0.391 -0.118) 0.416 14.554 ( -0.129 0.410 -0.189) 0.469 14.642 ( 0.334 -0.778 0.450) 0.959 14.661 ( -0.263 -0.471 -0.376) 0.658 15.095 ( -0.505 1.497 0.001) 1.580 15.107 ( 0.995 1.362 -0.764) 1.852 15.143 ( -0.765 0.582 0.910) 1.324 15.161 ( 0.330 0.594 -0.140) 0.694 15.424 ( -0.328 0.530 0.151) 0.642 15.432 ( 0.375 0.404 -0.183) 0.580 15.611 ( -1.607 -1.785 0.567) 2.468 15.640 ( 2.678 -1.764 -0.690) 3.280 15.659 ( 0.036 0.873 0.313) 0.928 15.675 ( -1.173 1.374 -0.349) 1.840 15.929 ( 0.047 -0.590 1.326) 1.452 15.999 ( -0.117 -1.160 -1.725) 2.082 16.152 ( -0.076 -2.451 1.203) 2.732 16.171 ( -0.142 -2.498 0.862) 2.646 16.190 ( -0.034 -2.517 -0.630) 2.595 16.233 ( 0.146 -3.778 -1.539) 4.082 17.450 ( -0.036 1.926 0.377) 1.963 17.499 ( 0.432 3.595 -3.194) 4.828 17.642 ( -1.160 -0.692 0.885) 1.615 17.670 ( -0.221 -0.606 -0.316) 0.718 17.816 ( 0.045 0.870 1.019) 1.340 17.892 ( -0.882 1.757 -3.528) 4.039 17.984 ( -0.514 2.489 0.269) 2.556 18.025 ( 0.988 2.033 -1.865) 2.930 18.053 ( 1.250 -0.745 1.401) 2.020 18.081 ( 0.242 0.614 -0.021) 0.660 18.345 ( 0.716 1.345 0.774) 1.709 18.376 ( 0.180 1.518 -0.325) 1.563 18.578 ( -1.092 0.276 0.193) 1.142 18.607 ( -0.089 0.735 -1.543) 1.711 18.674 ( 0.634 0.604 2.089) 2.265 18.737 ( 0.427 0.252 0.151) 0.518 18.773 ( -0.297 -4.171 4.594) 6.212 18.861 ( -0.198 -0.035 -0.795) 0.820 19.151 ( 0.418 1.868 1.579) 2.481 19.232 ( -0.739 1.851 -2.275) 3.025 ======================= Grid point 41 (19/44) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 8.384 6.630 7.700) 13.174 0.637 ( 7.008 6.742 11.034) 14.708 0.704 ( 4.350 3.284 -6.785) 8.703 0.856 ( 9.585 7.642 -5.381) 13.388 0.981 ( 6.142 7.252 3.589) 10.158 1.053 ( 1.255 5.853 2.241) 6.391 1.098 ( -2.963 4.785 0.882) 5.697 1.210 ( -0.893 -1.681 -1.765) 2.596 1.270 ( 2.333 1.223 1.414) 2.990 1.361 ( -0.924 3.655 2.936) 4.779 1.367 ( -0.337 1.497 0.262) 1.557 1.408 ( 1.532 1.827 -1.463) 2.797 1.468 ( 0.321 -2.400 0.628) 2.502 1.496 ( 1.367 1.009 -0.217) 1.713 1.562 ( 1.583 -1.920 -0.985) 2.676 1.624 ( 1.891 2.729 1.289) 3.562 1.686 ( 5.747 2.229 1.214) 6.282 1.739 ( 2.620 -0.800 2.859) 3.959 1.771 ( 4.730 4.323 -4.218) 7.672 1.808 ( -3.985 -1.680 -1.304) 4.517 1.846 ( 3.135 1.044 0.548) 3.350 1.897 ( 1.742 3.146 -2.420) 4.334 1.975 ( -1.786 3.431 -4.030) 5.586 2.009 ( -0.545 0.558 -3.989) 4.065 2.033 ( -3.433 -1.825 1.950) 4.350 2.099 ( 2.764 -2.941 0.558) 4.074 2.162 ( 0.026 -3.723 -1.844) 4.155 2.180 ( -4.683 -0.284 0.310) 4.702 2.265 ( -2.016 -0.567 -0.583) 2.174 2.309 ( 3.887 0.060 0.839) 3.977 2.317 ( 1.224 -1.412 -1.029) 2.134 2.354 ( -3.120 -0.920 0.276) 3.265 2.385 ( -0.662 -0.790 0.620) 1.203 2.422 ( -2.310 0.339 -1.223) 2.636 2.491 ( -1.697 -5.188 -1.052) 5.559 2.512 ( -2.848 -2.484 1.137) 3.947 2.517 ( -4.630 -1.850 -2.408) 5.537 2.576 ( -1.722 -4.802 -0.175) 5.105 2.619 ( -1.879 -1.516 -0.476) 2.461 2.688 ( -1.877 0.433 1.536) 2.464 2.705 ( -1.499 -2.139 1.112) 2.839 2.720 ( -1.531 0.026 0.274) 1.556 2.757 ( -0.666 -0.217 -0.036) 0.701 2.841 ( -1.805 0.345 -0.513) 1.908 2.871 ( -5.339 2.128 -1.855) 6.039 2.930 ( -3.060 1.691 1.635) 3.859 2.957 ( 1.361 -1.562 0.090) 2.074 2.966 ( -0.710 -0.440 0.075) 0.839 3.034 ( -3.449 0.035 2.643) 4.346 3.091 ( -3.791 -1.594 1.721) 4.458 3.106 ( -1.516 -1.308 2.903) 3.526 3.133 ( 1.406 1.982 1.492) 2.852 3.198 ( 0.285 -1.759 -1.054) 2.070 3.272 ( -2.684 -1.453 -0.431) 3.082 3.317 ( -0.299 0.721 1.122) 1.367 3.367 ( -3.826 -0.094 -0.407) 3.848 3.448 ( -6.175 1.647 -1.404) 6.543 3.471 ( 2.530 0.585 1.302) 2.904 3.507 ( -1.213 2.185 -0.721) 2.601 3.546 ( -5.338 2.410 -1.730) 6.107 3.580 ( 2.634 -0.339 0.697) 2.746 3.603 ( 2.228 -0.128 0.026) 2.232 3.676 ( 4.478 -1.334 -0.022) 4.672 3.716 ( 2.042 -1.719 -0.362) 2.693 3.751 ( 1.521 1.480 0.692) 2.232 3.765 ( 2.431 0.476 -0.243) 2.489 3.778 ( 2.699 -0.631 0.386) 2.799 3.793 ( 1.469 -1.824 -0.418) 2.379 3.815 ( -0.291 2.934 -0.308) 2.965 3.856 ( 0.637 2.759 -0.573) 2.889 3.884 ( 4.621 2.430 -1.027) 5.321 3.928 ( 1.885 1.949 -0.736) 2.810 3.944 ( 1.530 -0.380 1.067) 1.904 3.995 ( 2.712 -2.376 0.181) 3.610 4.034 ( -1.374 -0.453 0.873) 1.690 4.068 ( -0.455 0.810 0.662) 1.141 4.134 ( -0.645 -3.939 -0.444) 4.016 4.150 ( 0.035 -2.445 0.294) 2.463 4.204 ( -0.353 1.080 -0.303) 1.176 4.251 ( -0.249 -0.645 0.355) 0.777 4.394 ( 0.048 5.751 -0.440) 5.768 4.402 ( -0.542 5.236 0.334) 5.275 4.465 ( 1.820 0.007 0.000) 1.820 4.490 ( 1.338 0.830 0.097) 1.577 4.959 ( 3.225 -1.071 0.153) 3.402 4.967 ( 3.144 -0.735 -0.249) 3.239 5.388 ( -8.277 -1.689 -0.094) 8.448 5.405 ( -8.830 -1.310 0.160) 8.928 5.660 ( 1.955 -1.750 0.154) 2.628 5.672 ( 1.139 -0.726 -0.187) 1.364 5.715 ( 2.991 -3.098 -0.164) 4.309 5.724 ( 2.319 -2.129 0.597) 3.204 5.867 ( 4.146 4.328 -0.472) 6.012 5.906 ( 5.935 3.905 0.410) 7.117 6.188 ( -0.608 0.055 -0.325) 0.692 6.217 ( 0.711 -0.490 0.174) 0.881 6.343 ( -1.578 -0.059 0.005) 1.579 6.407 ( -1.037 -0.600 -0.048) 1.199 6.474 ( 0.481 -1.152 0.265) 1.277 6.514 ( -0.495 -0.819 -0.257) 0.990 6.935 ( 0.190 0.088 0.026) 0.211 6.952 ( -0.370 -0.350 -0.019) 0.509 6.960 ( 0.300 -0.452 -0.634) 0.835 6.975 ( -0.106 -0.557 -0.203) 0.603 14.547 ( -0.171 0.114 -0.308) 0.370 14.555 ( 0.250 -0.001 0.324) 0.409 14.632 ( -1.599 -0.631 0.072) 1.720 14.637 ( -1.577 -0.333 -0.153) 1.619 15.091 ( 0.416 1.354 -0.059) 1.418 15.126 ( 1.132 1.350 -0.875) 1.967 15.169 ( 2.327 0.416 1.093) 2.604 15.202 ( 3.264 0.352 -0.203) 3.289 15.408 ( -1.137 0.353 -0.192) 1.206 15.427 ( -0.630 1.002 0.076) 1.186 15.520 ( -4.757 0.562 0.545) 4.821 15.542 ( -5.436 0.572 -0.538) 5.493 15.751 ( 5.101 -1.295 -0.244) 5.269 15.783 ( 6.112 -1.080 0.149) 6.208 15.960 ( 1.853 -1.068 1.251) 2.478 15.996 ( 0.845 -1.344 -1.521) 2.198 16.139 ( -2.128 -2.372 0.997) 3.338 16.159 ( -1.038 -1.779 0.344) 2.088 16.169 ( -1.508 -1.992 -0.482) 2.544 16.194 ( -2.675 -2.828 -1.274) 4.096 17.458 ( 0.548 1.491 0.343) 1.625 17.476 ( -0.112 2.861 -0.932) 3.011 17.646 ( 0.207 -1.642 0.137) 1.661 17.675 ( 0.073 -1.462 0.280) 1.490 17.835 ( 0.999 1.259 1.044) 1.916 17.883 ( 1.220 2.463 -1.809) 3.290 17.968 ( -0.777 2.246 -0.103) 2.379 18.042 ( 0.956 0.323 0.326) 1.060 18.082 ( 0.946 -0.929 -0.184) 1.339 18.109 ( 2.772 0.843 -1.733) 3.376 18.325 ( -2.822 1.745 0.614) 3.374 18.332 ( -3.298 0.751 -1.219) 3.595 18.561 ( -0.257 0.585 -0.896) 1.100 18.640 ( 3.250 1.466 0.373) 3.585 18.709 ( 0.690 -0.718 2.336) 2.540 18.751 ( 1.265 0.786 -1.518) 2.127 18.805 ( 0.967 -2.699 4.400) 5.251 18.857 ( 0.251 -0.779 -1.314) 1.548 19.068 ( -8.569 4.855 0.891) 9.889 19.134 ( -4.735 3.507 0.860) 5.955 ======================= Grid point 42 (20/44) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 10.204 3.388 4.774) 11.765 0.775 ( 2.193 2.288 -3.040) 4.391 0.847 ( 5.954 4.012 8.860) 11.404 0.915 ( -8.261 2.230 0.581) 8.577 0.918 ( 1.598 1.367 0.339) 2.130 1.048 ( 3.967 3.213 -5.190) 7.280 1.156 ( -3.098 -1.345 2.189) 4.025 1.240 ( 5.414 0.791 0.190) 5.475 1.286 ( -4.097 3.572 -1.748) 5.710 1.344 ( -0.176 0.367 0.355) 0.540 1.402 ( 1.867 -3.935 1.010) 4.470 1.462 ( 1.262 -2.627 0.314) 2.931 1.504 ( 1.161 0.483 -2.683) 2.963 1.534 ( 4.040 3.234 1.822) 5.486 1.619 ( 0.197 -0.511 -1.617) 1.707 1.645 ( 4.130 0.147 0.914) 4.233 1.688 ( -3.094 0.916 -5.471) 6.352 1.769 ( -0.549 1.306 2.403) 2.790 1.818 ( -1.200 -0.531 2.971) 3.248 1.853 ( 1.872 0.229 -0.501) 1.952 1.900 ( 2.038 3.488 1.176) 4.207 1.907 ( -0.681 5.332 -0.937) 5.457 1.928 ( 2.654 -0.221 -1.690) 3.154 1.975 ( -1.884 0.753 -0.783) 2.175 2.026 ( 5.020 2.308 -0.509) 5.549 2.072 ( -2.646 1.386 -1.902) 3.541 2.148 ( 0.795 -1.809 -0.565) 2.055 2.167 ( 1.156 -2.461 3.573) 4.490 2.241 ( -0.774 1.827 -1.069) 2.253 2.272 ( -3.010 -2.932 -0.861) 4.289 2.285 ( -1.927 0.727 -0.061) 2.061 2.360 ( -0.079 -1.572 -0.920) 1.823 2.404 ( -1.657 0.572 -0.357) 1.788 2.431 ( 4.589 -0.005 0.593) 4.627 2.448 ( 1.939 -1.027 -2.961) 3.685 2.472 ( 1.506 -3.295 -0.635) 3.678 2.500 ( -1.423 -3.094 -0.409) 3.430 2.571 ( 1.067 -2.243 -0.170) 2.490 2.592 ( -0.737 -1.075 -1.551) 2.026 2.625 ( -3.640 0.024 -1.941) 4.125 2.655 ( -0.360 -0.746 1.330) 1.567 2.696 ( -2.653 -1.697 -0.031) 3.150 2.745 ( -5.489 2.894 3.463) 7.105 2.758 ( -4.840 0.000 1.212) 4.989 2.792 ( -1.820 1.965 -1.792) 3.222 2.847 ( -4.593 1.404 -0.040) 4.803 2.852 ( 0.107 0.311 4.601) 4.613 2.953 ( -0.001 -1.753 -1.586) 2.364 3.003 ( -1.171 0.261 -0.399) 1.265 3.052 ( -4.822 -1.040 3.968) 6.331 3.103 ( -0.969 0.484 2.316) 2.557 3.132 ( -0.236 1.692 -0.260) 1.728 3.224 ( 2.207 -2.135 -0.376) 3.093 3.236 ( -1.247 0.628 -0.563) 1.505 3.272 ( -4.613 -2.192 -1.886) 5.444 3.315 ( -1.771 1.064 0.461) 2.117 3.406 ( 2.888 2.723 2.855) 4.889 3.471 ( 1.144 3.208 -1.731) 3.821 3.506 ( -0.392 3.055 -0.312) 3.096 3.526 ( 0.769 4.241 -0.751) 4.375 3.623 ( 1.870 -3.053 0.173) 3.585 3.667 ( 2.504 -1.111 -0.096) 2.741 3.717 ( -0.708 -2.185 0.239) 2.309 3.761 ( 0.799 -0.203 0.050) 0.826 3.769 ( 0.402 -1.059 -0.605) 1.284 3.788 ( 2.512 -0.881 0.343) 2.684 3.815 ( -0.292 -1.050 -0.616) 1.252 3.842 ( 3.440 -0.054 -0.261) 3.450 3.863 ( 0.830 -0.799 -0.480) 1.248 3.871 ( 3.423 0.347 0.721) 3.515 3.916 ( -0.637 -1.071 -0.442) 1.322 3.940 ( -0.569 0.629 0.178) 0.867 3.964 ( 0.253 -0.189 -0.218) 0.384 4.000 ( -0.879 -1.726 0.774) 2.086 4.011 ( -3.862 -1.897 -0.091) 4.304 4.045 ( 0.578 -0.911 -0.159) 1.091 4.124 ( 0.226 4.182 0.585) 4.229 4.160 ( 2.055 3.497 -0.094) 4.058 4.200 ( -1.398 4.774 -0.435) 4.994 4.226 ( -2.106 4.491 -0.247) 4.966 4.431 ( 3.090 0.954 0.009) 3.234 4.433 ( 3.126 0.646 -0.064) 3.193 4.477 ( -0.958 -1.273 0.012) 1.593 4.491 ( -1.446 -0.784 -0.040) 1.645 5.051 ( 5.483 -0.825 0.050) 5.545 5.062 ( 5.767 -0.702 -0.031) 5.810 5.225 ( -7.125 -1.069 -0.010) 7.205 5.230 ( -7.988 -0.760 0.029) 8.024 5.690 ( 1.025 -1.119 -0.084) 1.519 5.703 ( 1.679 -1.923 0.306) 2.571 5.729 ( -0.608 -2.471 -0.498) 2.593 5.735 ( -0.853 -2.050 0.424) 2.261 5.989 ( 6.073 1.793 0.182) 6.335 6.049 ( 6.681 1.621 -0.206) 6.878 6.149 ( -3.089 0.460 -0.311) 3.138 6.187 ( -3.619 -0.038 0.269) 3.629 6.343 ( 1.275 0.050 -0.105) 1.280 6.376 ( -1.413 0.283 0.177) 1.452 6.493 ( 0.253 -1.060 0.072) 1.092 6.497 ( -0.297 -0.764 -0.083) 0.824 6.937 ( -0.280 -0.267 0.157) 0.418 6.945 ( -0.060 -0.371 0.568) 0.681 6.958 ( -0.022 -0.829 -0.730) 1.105 6.968 ( -0.163 -0.503 -0.283) 0.600 14.548 ( 0.566 -0.487 -0.151) 0.762 14.568 ( 0.362 -0.493 0.458) 0.765 14.594 ( -1.037 -0.142 -0.710) 1.265 14.605 ( -1.606 -0.105 0.356) 1.648 15.106 ( 0.735 1.047 0.212) 1.297 15.141 ( 0.717 1.267 -1.032) 1.785 15.220 ( 1.318 -0.350 1.499) 2.027 15.267 ( 2.622 -0.198 -0.610) 2.700 15.391 ( 0.138 1.192 -0.357) 1.252 15.417 ( -0.159 2.047 0.176) 2.061 15.439 ( -3.250 1.092 -0.090) 3.430 15.448 ( -3.124 1.477 0.372) 3.476 15.839 ( 2.935 -2.116 0.532) 3.657 15.888 ( 3.798 -2.003 -0.810) 4.370 15.993 ( 0.756 -2.895 0.060) 2.992 16.014 ( 0.815 -1.778 -0.023) 1.957 16.089 ( -2.138 -1.620 0.552) 2.738 16.127 ( -1.520 -1.282 -1.078) 2.262 16.136 ( -1.665 -0.938 -0.135) 1.916 16.148 ( -0.479 -0.895 -0.038) 1.016 17.471 ( 0.352 0.921 0.256) 1.019 17.482 ( 0.681 1.630 -0.463) 1.826 17.644 ( -0.487 -2.545 1.029) 2.788 17.674 ( 0.000 -2.673 -0.130) 2.676 17.858 ( 0.425 2.498 0.978) 2.716 17.900 ( 0.950 3.531 -1.131) 3.827 17.965 ( 0.586 0.730 0.928) 1.318 18.054 ( -0.283 -1.158 0.081) 1.195 18.101 ( 0.986 0.482 -0.193) 1.114 18.160 ( 3.243 1.274 -2.270) 4.158 18.252 ( -2.731 0.695 -0.985) 2.985 18.273 ( -2.260 1.080 0.230) 2.516 18.560 ( 0.482 0.668 0.107) 0.831 18.711 ( 0.377 0.257 -0.075) 0.462 18.718 ( 1.327 0.280 2.550) 2.888 18.760 ( 0.097 0.479 -0.943) 1.062 18.843 ( -2.381 2.767 1.400) 3.910 18.849 ( 0.574 -1.597 0.976) 1.957 18.956 ( -0.461 2.979 -0.671) 3.088 19.030 ( -4.894 4.173 -0.510) 6.452 ======================= Grid point 43 (21/44) ======================= q-point: (-0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -11.808 4.781 4.364) 13.466 0.671 ( -13.074 2.741 2.337) 13.561 0.987 ( 3.392 3.308 0.827) 4.809 0.999 ( 2.196 2.750 1.402) 3.788 1.025 ( 5.109 -2.578 -0.393) 5.736 1.071 ( 1.151 -0.481 3.283) 3.512 1.137 ( 4.361 1.652 -0.470) 4.687 1.203 ( -2.188 1.765 -3.018) 4.125 1.252 ( -8.559 2.482 -1.911) 9.114 1.309 ( -4.129 5.066 3.923) 7.623 1.363 ( -3.687 -2.751 -0.515) 4.629 1.447 ( -2.146 2.356 -0.811) 3.289 1.474 ( 0.061 -2.987 -1.292) 3.255 1.535 ( -3.217 4.933 -1.058) 5.984 1.597 ( -1.467 1.282 0.223) 1.961 1.627 ( 0.043 -1.080 -3.105) 3.288 1.648 ( -2.922 0.305 0.787) 3.042 1.761 ( -1.814 0.138 -0.167) 1.826 1.777 ( -0.468 -4.091 1.138) 4.272 1.882 ( 0.108 2.767 0.286) 2.784 1.912 ( -0.113 1.018 -0.315) 1.071 1.925 ( 2.009 -0.496 -5.258) 5.651 1.980 ( -0.529 3.903 2.374) 4.599 1.987 ( -0.560 0.807 1.041) 1.431 2.047 ( 1.712 -0.943 3.511) 4.019 2.113 ( 1.031 0.800 -0.309) 1.341 2.145 ( 2.633 -2.178 -1.577) 3.764 2.180 ( -1.475 -0.844 -1.834) 2.500 2.257 ( 2.313 -1.673 0.897) 2.993 2.294 ( 0.740 -1.347 0.640) 1.665 2.329 ( 1.658 0.143 2.536) 3.033 2.361 ( 6.719 1.865 -3.728) 7.907 2.381 ( -1.057 -1.103 -0.395) 1.578 2.385 ( -2.608 2.621 -1.857) 4.138 2.454 ( -0.697 0.709 -1.395) 1.713 2.509 ( -0.163 -1.869 -1.661) 2.506 2.524 ( 1.991 -2.517 -0.819) 3.312 2.540 ( 1.392 -2.521 0.401) 2.907 2.591 ( 1.606 -1.212 -1.237) 2.361 2.633 ( 3.123 -0.901 -1.226) 3.474 2.651 ( 1.799 1.268 -2.051) 3.009 2.679 ( 0.510 -1.594 0.956) 1.927 2.713 ( 1.778 -0.087 3.904) 4.291 2.766 ( 4.736 1.037 1.567) 5.095 2.777 ( 0.124 0.980 0.498) 1.106 2.836 ( 2.906 0.850 0.433) 3.059 2.919 ( -2.746 0.845 -1.675) 3.326 2.936 ( 1.587 -2.612 2.384) 3.876 2.998 ( -1.159 1.056 2.916) 3.310 3.018 ( 2.217 -0.009 2.709) 3.501 3.076 ( -0.099 2.381 0.274) 2.399 3.145 ( -1.178 -3.567 -1.527) 4.055 3.175 ( 1.455 1.503 1.463) 2.553 3.236 ( 2.139 -2.215 -0.778) 3.176 3.285 ( -0.614 -0.345 -1.376) 1.546 3.339 ( 5.291 0.888 0.487) 5.387 3.420 ( -2.827 3.483 1.891) 4.868 3.477 ( -0.960 3.264 -0.590) 3.453 3.499 ( 0.578 3.128 0.149) 3.185 3.531 ( 0.162 3.500 -1.655) 3.875 3.635 ( -2.433 -1.837 0.221) 3.056 3.659 ( -1.560 -2.598 -0.149) 3.034 3.715 ( -0.482 -1.968 0.441) 2.074 3.736 ( -0.229 -1.193 -0.431) 1.289 3.777 ( -2.081 0.168 -0.195) 2.097 3.802 ( 0.866 -0.654 0.041) 1.086 3.813 ( -2.942 -2.397 -0.606) 3.843 3.840 ( -1.908 0.736 -0.028) 2.046 3.866 ( 0.216 -1.549 0.076) 1.566 3.883 ( -0.622 0.558 0.214) 0.863 3.913 ( -2.868 -0.291 -0.598) 2.944 3.939 ( 0.495 -0.783 0.174) 0.942 3.968 ( 1.494 -0.058 0.923) 1.757 3.989 ( 1.686 -0.939 -1.378) 2.371 4.009 ( -0.020 -1.682 0.845) 1.882 4.040 ( 0.641 -1.518 0.042) 1.648 4.126 ( -0.724 3.638 0.682) 3.771 4.154 ( -2.080 4.294 -0.227) 4.776 4.206 ( 1.812 4.730 -0.351) 5.078 4.219 ( 1.548 4.807 -0.336) 5.062 4.428 ( -3.056 0.432 -0.022) 3.086 4.437 ( -3.010 1.098 -0.030) 3.204 4.480 ( 1.096 -0.968 0.042) 1.463 4.486 ( 1.313 -1.104 -0.072) 1.716 5.057 ( -5.019 -0.859 0.217) 5.096 5.059 ( -6.113 -0.301 -0.211) 6.124 5.222 ( 7.750 -1.209 0.011) 7.844 5.232 ( 7.406 -1.149 0.009) 7.495 5.695 ( -1.440 -1.658 -0.080) 2.198 5.703 ( -0.908 -1.217 0.429) 1.578 5.713 ( -0.333 -1.922 -0.315) 1.976 5.741 ( 1.084 -2.547 0.134) 2.771 6.007 ( -6.049 1.384 0.567) 6.231 6.026 ( -5.995 1.815 -0.591) 6.292 6.164 ( 2.467 0.213 -0.616) 2.551 6.181 ( 3.616 0.124 0.577) 3.664 6.347 ( -0.072 0.123 -0.155) 0.211 6.371 ( 0.039 0.144 0.231) 0.275 6.484 ( 0.190 -0.488 0.006) 0.524 6.507 ( 0.176 -1.299 -0.019) 1.311 6.935 ( 0.048 -0.345 0.184) 0.394 6.948 ( 0.104 -0.327 0.500) 0.606 6.963 ( 0.622 -0.741 -0.584) 1.130 6.968 ( 0.537 -0.838 -0.413) 1.078 14.552 ( -0.860 -0.630 -0.340) 1.119 14.565 ( 0.271 -0.394 0.719) 0.864 14.586 ( 0.514 -0.203 -0.518) 0.757 14.611 ( 1.815 -0.015 0.091) 1.817 15.112 ( -0.465 1.083 0.422) 1.252 15.135 ( -0.634 1.074 -1.178) 1.715 15.223 ( -1.966 -0.254 1.481) 2.474 15.266 ( -2.376 -0.034 -0.659) 2.466 15.392 ( 0.015 1.606 -0.360) 1.646 15.417 ( 0.186 1.613 0.029) 1.624 15.431 ( 3.132 1.054 0.263) 3.315 15.459 ( 3.394 1.402 0.162) 3.675 15.846 ( -2.761 -2.148 0.769) 3.581 15.880 ( -3.870 -1.962 -1.025) 4.459 15.993 ( -2.040 -2.468 0.057) 3.203 16.017 ( 1.038 -2.306 -0.103) 2.531 16.090 ( 0.996 -0.900 0.767) 1.546 16.121 ( 1.961 -1.769 -1.065) 2.848 16.140 ( 1.748 -1.216 -0.198) 2.138 16.155 ( 1.441 -0.792 -0.214) 1.658 17.469 ( -0.626 0.931 0.179) 1.136 17.485 ( -0.180 1.540 -0.390) 1.598 17.647 ( 0.238 -2.928 0.864) 3.062 17.681 ( 0.772 -2.601 0.016) 2.713 17.852 ( -1.416 2.390 0.647) 2.852 17.914 ( 1.188 3.527 -0.696) 3.786 17.995 ( 0.938 1.271 2.207) 2.715 18.032 ( -1.255 -1.105 -1.233) 2.077 18.097 ( -1.634 1.157 -0.071) 2.003 18.165 ( -1.005 -0.725 -3.083) 3.323 18.243 ( 1.595 -0.056 -0.364) 1.637 18.276 ( 3.155 2.072 -1.030) 3.912 18.584 ( 0.853 0.366 3.171) 3.304 18.684 ( -1.845 0.609 -1.313) 2.345 18.717 ( -2.611 -1.400 2.195) 3.687 18.745 ( -2.493 1.672 0.442) 3.034 18.788 ( -1.242 1.929 -0.158) 2.300 18.887 ( 2.050 2.369 1.127) 3.329 18.957 ( -0.286 4.102 -0.638) 4.161 19.019 ( 4.613 2.404 -0.577) 5.233 ======================= Grid point 44 (22/44) ======================= q-point: (-0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -9.298 7.630 5.073) 13.054 0.486 ( -8.819 7.029 11.546) 16.140 0.841 ( -8.074 5.657 -4.814) 10.971 0.903 ( -15.793 11.124 4.723) 19.886 1.019 ( -8.805 5.845 -6.300) 12.303 1.052 ( -1.323 3.024 1.622) 3.678 1.139 ( 2.059 2.952 0.676) 3.662 1.196 ( 0.155 1.833 0.354) 1.873 1.265 ( 6.819 1.248 0.696) 6.967 1.276 ( 3.202 2.457 3.718) 5.488 1.331 ( -1.955 -1.546 0.456) 2.534 1.415 ( -1.265 -0.739 -0.661) 1.607 1.481 ( 1.117 2.017 -1.999) 3.052 1.516 ( -1.674 1.268 -1.640) 2.664 1.528 ( 0.126 0.250 0.180) 0.333 1.576 ( -2.913 1.999 1.689) 3.916 1.655 ( -4.476 -0.082 1.209) 4.637 1.715 ( 1.678 1.631 -1.861) 2.990 1.752 ( -1.915 1.288 2.028) 3.072 1.841 ( -3.676 2.907 -2.678) 5.397 1.889 ( -2.546 0.449 -0.702) 2.679 1.912 ( -1.653 -0.866 0.596) 1.959 1.941 ( 0.724 0.197 -0.463) 0.882 2.006 ( 1.519 -0.101 0.906) 1.772 2.063 ( -0.498 -0.022 -2.023) 2.084 2.129 ( 1.939 0.825 -3.734) 4.287 2.143 ( 0.612 -4.341 -1.254) 4.560 2.251 ( 2.761 -2.743 -3.317) 5.113 2.279 ( 0.057 -3.226 2.071) 3.834 2.302 ( -1.904 -1.325 0.644) 2.408 2.338 ( 0.915 -0.618 -1.545) 1.899 2.354 ( 3.684 -0.121 0.805) 3.773 2.382 ( 1.392 0.619 1.072) 1.863 2.431 ( -0.140 -1.014 -0.618) 1.196 2.474 ( 2.459 -2.582 1.114) 3.736 2.524 ( 0.471 -1.895 -1.278) 2.334 2.558 ( 3.851 1.012 -3.807) 5.509 2.596 ( 1.484 -3.606 -0.890) 4.000 2.647 ( 5.736 -0.240 1.274) 5.881 2.677 ( 2.457 0.299 -1.392) 2.840 2.702 ( -0.650 -1.270 0.416) 1.486 2.752 ( 3.500 0.601 -0.403) 3.574 2.786 ( 1.298 -1.236 0.255) 1.811 2.805 ( 4.904 0.391 1.451) 5.129 2.855 ( 1.311 -1.035 0.400) 1.717 2.864 ( -0.060 -0.890 0.417) 0.985 2.896 ( 2.544 -0.278 0.698) 2.653 2.990 ( -0.153 -0.371 3.276) 3.301 3.009 ( -0.908 -1.470 1.790) 2.488 3.056 ( 2.779 -0.501 1.479) 3.187 3.093 ( 0.450 0.291 0.453) 0.701 3.150 ( -0.408 1.830 2.332) 2.992 3.176 ( 0.758 -1.353 -0.412) 1.605 3.309 ( 1.399 -1.233 -2.596) 3.196 3.337 ( 5.095 -1.974 1.687) 5.718 3.396 ( 0.460 2.909 0.427) 2.976 3.435 ( 1.349 2.499 0.956) 2.996 3.476 ( 6.138 0.174 -0.037) 6.141 3.509 ( -0.590 0.402 -0.955) 1.192 3.523 ( 1.646 3.817 -1.827) 4.540 3.574 ( -0.180 0.569 0.516) 0.789 3.606 ( -3.768 -2.237 -0.312) 4.393 3.697 ( -1.367 -1.705 0.536) 2.250 3.713 ( -4.602 -1.769 -0.705) 4.981 3.743 ( -0.589 -0.221 0.826) 1.039 3.771 ( -1.793 -0.861 -0.429) 2.035 3.773 ( -1.876 1.830 0.389) 2.650 3.791 ( -1.711 0.540 -0.398) 1.838 3.834 ( -1.455 1.812 -0.228) 2.335 3.867 ( -1.538 2.532 -0.207) 2.970 3.882 ( -0.017 1.086 -1.702) 2.019 3.924 ( -4.241 1.976 -1.300) 4.856 3.963 ( 0.345 -0.463 0.839) 1.018 3.983 ( -3.679 -2.456 2.210) 4.945 3.997 ( -0.863 0.702 -0.035) 1.113 4.068 ( 0.989 -0.059 0.629) 1.173 4.125 ( -0.734 -2.842 -0.207) 2.942 4.150 ( 1.241 -2.391 0.235) 2.704 4.213 ( 0.510 1.232 -0.415) 1.397 4.240 ( 0.216 -0.777 0.622) 1.018 4.387 ( -0.240 5.304 -0.275) 5.317 4.410 ( 0.587 5.203 0.158) 5.238 4.474 ( -1.473 0.456 -0.093) 1.545 4.480 ( -1.676 0.473 0.195) 1.753 4.958 ( -3.488 -0.882 -0.052) 3.598 4.973 ( -2.884 -0.796 -0.093) 2.994 5.392 ( 8.594 -1.540 -0.315) 8.737 5.400 ( 8.415 -2.070 0.330) 8.672 5.664 ( -1.492 -1.147 0.237) 1.896 5.672 ( -1.768 -1.165 -0.263) 2.134 5.701 ( -2.006 -2.400 -0.018) 3.128 5.738 ( -2.664 -3.196 0.552) 4.197 5.865 ( -5.214 4.140 -0.680) 6.692 5.900 ( -5.558 4.392 0.719) 7.120 6.192 ( 0.318 -0.429 -0.465) 0.708 6.211 ( -0.462 -0.047 0.331) 0.570 6.369 ( 1.553 -0.526 -0.036) 1.640 6.377 ( 1.019 -0.288 0.008) 1.059 6.487 ( -0.414 -1.419 0.352) 1.520 6.512 ( 0.725 -0.715 -0.440) 1.109 6.935 ( -0.137 0.053 0.049) 0.155 6.958 ( 0.487 -0.457 0.264) 0.718 6.969 ( 0.119 -0.670 -0.554) 0.878 6.970 ( -0.356 -0.836 -0.866) 1.255 14.544 ( 0.253 -0.052 -0.184) 0.317 14.560 ( -0.427 0.357 0.219) 0.598 14.618 ( 1.825 -0.778 -0.081) 1.986 14.648 ( 1.536 -0.312 -0.038) 1.567 15.101 ( -0.497 1.269 0.272) 1.390 15.111 ( -0.714 1.219 -0.950) 1.702 15.177 ( -2.753 0.440 1.058) 2.983 15.198 ( -3.181 0.658 -0.446) 3.279 15.412 ( 1.506 0.379 -0.258) 1.574 15.423 ( 0.257 0.974 0.123) 1.015 15.522 ( 5.082 0.577 0.362) 5.127 15.545 ( 4.876 0.376 -0.443) 4.911 15.756 ( -5.712 -1.555 -0.346) 5.931 15.777 ( -5.319 -0.714 0.249) 5.372 15.946 ( -2.209 -1.027 0.635) 2.518 16.016 ( -0.529 -1.467 -1.004) 1.855 16.127 ( 1.700 -1.926 0.910) 2.725 16.155 ( 1.408 -2.182 -0.049) 2.597 16.178 ( 1.448 -2.013 -0.443) 2.519 16.204 ( 3.134 -2.981 -0.994) 4.438 17.455 ( -0.634 1.539 0.189) 1.675 17.483 ( 0.824 2.625 -0.820) 2.871 17.655 ( 0.127 -2.047 -0.229) 2.064 17.695 ( -0.250 -2.478 0.189) 2.498 17.824 ( -1.337 1.324 0.521) 1.952 17.931 ( 0.508 3.318 -1.615) 3.725 17.994 ( -1.082 -0.238 -1.978) 2.267 18.021 ( 0.129 2.961 1.499) 3.322 18.056 ( -1.563 -0.461 -0.704) 1.775 18.105 ( -2.351 -0.008 -2.296) 3.286 18.297 ( 3.162 0.848 -0.024) 3.274 18.338 ( 2.918 1.898 -0.205) 3.487 18.603 ( -1.474 -0.153 1.838) 2.361 18.638 ( -0.934 0.766 -2.329) 2.624 18.682 ( -2.482 0.679 0.741) 2.678 18.715 ( -0.604 -2.473 6.390) 6.879 18.772 ( -0.747 0.798 -0.146) 1.103 18.879 ( -1.239 0.868 -0.268) 1.536 19.066 ( 8.041 5.200 0.935) 9.622 19.118 ( 5.736 4.277 0.955) 7.218 ======================= Grid point 45 (23/44) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -1.589 10.192 9.467) 14.001 0.701 ( 2.037 14.565 4.742) 15.452 0.937 ( -1.314 9.658 -6.957) 11.976 0.978 ( -4.084 13.604 -1.710) 14.306 1.041 ( 2.763 7.943 -3.438) 9.085 1.148 ( 0.307 -1.811 -3.407) 3.871 1.203 ( 2.585 5.986 -0.355) 6.530 1.242 ( -2.151 2.785 -0.162) 3.523 1.335 ( -1.473 3.878 5.187) 6.642 1.372 ( 1.814 -1.683 3.265) 4.097 1.394 ( 1.344 4.584 4.668) 6.679 1.442 ( 1.030 1.089 3.770) 4.057 1.483 ( -0.632 3.717 2.013) 4.274 1.513 ( -5.162 0.485 -2.352) 5.693 1.552 ( 2.204 0.989 -1.754) 2.985 1.618 ( 0.886 -1.476 0.445) 1.778 1.665 ( 1.426 5.261 -0.063) 5.451 1.740 ( -0.909 0.162 0.381) 0.999 1.767 ( -0.702 1.633 -3.775) 4.173 1.830 ( 0.154 -2.082 0.199) 2.097 1.859 ( 0.680 1.884 0.983) 2.231 1.880 ( 1.232 2.379 -1.549) 3.095 1.981 ( 0.909 -0.424 0.983) 1.405 2.000 ( 1.174 1.276 -2.903) 3.381 2.028 ( 0.986 -1.387 2.377) 2.924 2.083 ( -2.044 -1.972 -0.962) 2.999 2.148 ( -0.592 -0.449 -2.926) 3.019 2.209 ( -0.590 -0.824 -0.704) 1.234 2.213 ( 1.200 -1.688 0.122) 2.074 2.234 ( 1.250 -1.674 -2.102) 2.964 2.326 ( -0.284 -1.641 -0.606) 1.772 2.372 ( -0.059 -1.689 -1.498) 2.258 2.404 ( -1.574 -2.043 1.997) 3.262 2.447 ( 0.754 -0.163 -0.558) 0.953 2.457 ( -0.876 -1.291 0.799) 1.753 2.505 ( 0.652 -1.882 -1.248) 2.351 2.522 ( -0.992 -2.333 0.731) 2.638 2.568 ( -1.586 -2.075 -4.081) 4.845 2.621 ( -3.084 -3.125 0.852) 4.473 2.653 ( 0.564 -2.106 -0.871) 2.348 2.684 ( 0.839 -3.990 -0.534) 4.112 2.710 ( -0.614 -0.999 -0.813) 1.427 2.731 ( -1.104 -3.205 0.090) 3.391 2.796 ( 0.062 -4.582 -0.478) 4.607 2.872 ( 1.839 -1.496 0.282) 2.387 2.889 ( 0.041 -1.737 -1.025) 2.017 2.918 ( 1.479 -0.958 1.942) 2.622 2.960 ( 2.565 -0.384 0.088) 2.595 3.030 ( -1.153 -4.266 3.955) 5.930 3.102 ( -0.531 1.517 0.335) 1.642 3.121 ( 2.153 -4.547 1.057) 5.141 3.148 ( 0.238 -0.813 0.244) 0.882 3.186 ( -1.298 2.392 3.043) 4.082 3.294 ( -1.434 4.354 -2.393) 5.171 3.337 ( 1.208 -0.573 -0.439) 1.407 3.387 ( -2.591 -0.896 -0.752) 2.843 3.433 ( 2.814 0.336 1.255) 3.100 3.502 ( -3.700 1.591 -1.376) 4.257 3.553 ( 1.289 3.214 2.126) 4.063 3.608 ( 3.018 -1.094 0.373) 3.232 3.620 ( -2.182 0.532 0.462) 2.293 3.644 ( -0.705 0.349 -0.975) 1.253 3.667 ( 0.657 1.052 1.359) 1.840 3.702 ( -0.686 0.240 -0.553) 0.913 3.729 ( 0.340 -2.688 -0.868) 2.845 3.751 ( 1.381 1.641 -0.222) 2.156 3.753 ( 0.266 0.914 -0.321) 1.005 3.771 ( -1.786 1.069 -0.360) 2.112 3.854 ( 0.761 2.709 0.722) 2.905 3.880 ( 0.315 0.017 -0.062) 0.322 3.902 ( -0.701 1.003 0.237) 1.246 3.919 ( 0.820 0.598 0.562) 1.160 3.935 ( -0.290 -0.340 -0.511) 0.679 3.953 ( -1.461 4.026 -0.927) 4.382 4.022 ( 1.613 -0.383 0.720) 1.807 4.037 ( 0.651 1.613 0.825) 1.925 4.092 ( -1.112 -1.163 0.360) 1.648 4.110 ( -0.029 1.690 -0.294) 1.715 4.196 ( 0.211 -2.202 0.320) 2.235 4.208 ( 0.010 -2.467 -0.134) 2.471 4.474 ( 0.112 2.407 0.147) 2.414 4.485 ( -0.199 2.452 -0.298) 2.478 4.517 ( -0.044 1.804 0.286) 1.827 4.521 ( 0.079 1.425 0.081) 1.430 4.921 ( -0.052 2.310 0.652) 2.401 4.957 ( -0.006 3.541 -0.863) 3.644 5.383 ( -0.096 -8.179 1.155) 8.261 5.435 ( 0.221 -7.505 -1.030) 7.579 5.597 ( 0.029 0.488 0.643) 0.808 5.630 ( -0.260 0.542 -0.889) 1.073 5.669 ( 0.136 -0.211 0.600) 0.650 5.684 ( -0.027 -0.900 -0.039) 0.901 5.931 ( 0.438 5.912 0.797) 5.981 5.956 ( -0.445 7.142 -0.334) 7.164 6.186 ( 0.456 -0.664 0.155) 0.820 6.199 ( -0.340 -0.448 -0.362) 0.669 6.360 ( -0.782 -0.694 0.422) 1.128 6.388 ( 1.225 -1.077 -0.990) 1.908 6.439 ( -0.770 -2.284 1.210) 2.697 6.482 ( 0.288 -2.758 -0.868) 2.906 6.940 ( 0.247 0.150 -0.082) 0.300 6.944 ( -0.234 0.029 -0.212) 0.317 6.961 ( -0.089 -0.272 0.225) 0.364 6.966 ( 0.039 -0.378 0.001) 0.380 14.566 ( 0.206 0.945 -0.205) 0.988 14.568 ( -0.304 0.976 -0.269) 1.057 14.625 ( 0.294 -0.922 0.583) 1.130 14.647 ( -0.191 -0.978 -0.395) 1.071 15.129 ( -0.389 1.731 0.160) 1.781 15.140 ( 0.910 1.558 -0.244) 1.821 15.161 ( -0.617 1.251 0.298) 1.426 15.176 ( 0.122 0.847 -0.361) 0.928 15.431 ( -0.130 0.493 0.322) 0.603 15.447 ( 0.163 0.995 -0.350) 1.067 15.564 ( -0.541 -2.739 0.431) 2.825 15.587 ( 0.534 -3.372 -0.509) 3.452 15.700 ( 0.292 3.162 0.311) 3.191 15.719 ( -0.341 3.109 -0.498) 3.168 15.909 ( 0.059 -1.520 1.058) 1.853 15.962 ( -0.112 -2.637 -1.290) 2.938 16.097 ( -0.202 -3.059 0.544) 3.114 16.121 ( 0.138 -2.130 0.394) 2.171 16.129 ( 0.284 -3.818 -0.950) 3.945 16.147 ( -0.092 -3.793 -0.443) 3.820 17.493 ( -0.188 2.201 0.650) 2.303 17.548 ( 0.847 1.670 -2.170) 2.866 17.617 ( -0.808 -1.666 0.935) 2.074 17.646 ( -0.075 -1.650 -0.317) 1.682 17.848 ( -0.098 2.351 1.103) 2.598 17.920 ( -0.399 1.462 -2.558) 2.974 18.010 ( 0.306 -0.520 0.600) 0.850 18.029 ( -0.163 -0.867 -0.562) 1.046 18.083 ( -0.600 4.281 1.426) 4.552 18.147 ( 1.039 4.764 -1.925) 5.242 18.343 ( 0.644 -1.748 1.010) 2.119 18.384 ( -0.161 -1.173 -0.669) 1.360 18.600 ( -0.088 1.863 1.009) 2.121 18.626 ( -0.440 1.105 -0.396) 1.253 18.692 ( 0.452 0.488 1.507) 1.647 18.737 ( 0.056 1.711 3.435) 3.838 18.756 ( -0.126 0.102 -1.217) 1.228 18.862 ( -0.284 -0.031 -2.148) 2.167 19.190 ( 0.372 1.845 1.602) 2.472 19.247 ( -0.353 0.108 -0.895) 0.968 ======================= Grid point 46 (24/44) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 2.474 10.466 6.258) 12.443 0.792 ( 4.007 9.152 8.203) 12.928 0.828 ( -1.102 8.707 -5.065) 10.133 1.009 ( 3.954 7.048 -6.261) 10.223 1.118 ( -1.686 4.583 -0.429) 4.902 1.135 ( -0.284 1.113 -0.485) 1.247 1.167 ( 2.903 1.325 -0.662) 3.259 1.216 ( -4.817 3.941 -0.551) 6.248 1.323 ( -0.935 1.905 2.878) 3.576 1.364 ( -4.040 -1.772 1.047) 4.534 1.407 ( -1.726 -1.898 1.704) 3.080 1.459 ( 0.010 2.886 1.295) 3.163 1.470 ( 1.935 4.501 -1.724) 5.194 1.540 ( 0.113 1.746 -0.083) 1.752 1.557 ( 3.466 2.116 1.655) 4.385 1.655 ( 1.385 0.156 0.601) 1.518 1.705 ( 1.750 -0.717 2.881) 3.447 1.740 ( 0.801 1.124 -1.864) 2.319 1.768 ( 0.891 0.350 1.789) 2.029 1.810 ( 1.562 2.729 -0.899) 3.270 1.921 ( 3.952 2.028 -3.693) 5.776 1.925 ( -0.009 -0.076 0.023) 0.080 1.993 ( 1.958 -2.382 -1.835) 3.588 2.013 ( 0.943 0.037 2.449) 2.625 2.028 ( 0.135 1.273 -1.502) 1.974 2.112 ( 3.344 3.397 -1.068) 4.884 2.123 ( -0.462 1.055 -2.012) 2.318 2.178 ( -3.060 -0.408 2.023) 3.690 2.260 ( 1.939 -0.562 -2.230) 3.008 2.273 ( 3.243 -1.761 -1.033) 3.832 2.293 ( -0.679 -2.106 -0.204) 2.223 2.333 ( -3.263 0.209 -0.236) 3.278 2.376 ( -3.129 -2.679 -2.005) 4.582 2.394 ( -0.350 -0.106 0.706) 0.795 2.435 ( -2.847 0.257 -2.256) 3.642 2.462 ( -2.365 -4.913 3.600) 6.534 2.485 ( -1.734 -1.707 -0.499) 2.484 2.491 ( -1.510 -1.500 -1.434) 2.566 2.582 ( -1.203 -2.670 1.149) 3.146 2.636 ( -3.486 -2.574 0.303) 4.344 2.673 ( 0.457 -2.174 0.365) 2.251 2.687 ( -1.662 -3.010 -0.226) 3.446 2.742 ( 1.206 -1.071 -0.807) 1.803 2.816 ( 1.861 -4.557 -0.527) 4.951 2.886 ( -1.118 -0.074 0.475) 1.217 2.894 ( -1.869 -3.474 0.227) 3.952 2.928 ( -2.056 -0.030 -0.638) 2.153 2.980 ( -0.518 -0.324 -0.701) 0.930 3.006 ( -1.334 -1.717 0.734) 2.295 3.095 ( -0.899 2.518 2.804) 3.875 3.110 ( -1.410 -1.141 2.100) 2.775 3.141 ( -1.050 0.627 -1.738) 2.126 3.215 ( 0.093 0.845 2.234) 2.391 3.270 ( -0.034 2.573 0.052) 2.574 3.315 ( -3.207 -0.763 -0.946) 3.430 3.377 ( 0.358 0.369 0.347) 0.620 3.453 ( -0.457 1.007 -1.729) 2.052 3.501 ( 0.422 1.825 1.659) 2.502 3.535 ( -1.170 0.638 -0.745) 1.527 3.592 ( 0.222 1.916 -0.435) 1.977 3.600 ( -2.505 2.402 0.613) 3.524 3.632 ( -0.323 1.669 1.188) 2.074 3.652 ( 1.330 -1.075 0.236) 1.726 3.691 ( 0.974 -0.600 -0.637) 1.310 3.724 ( -0.067 -2.135 -0.141) 2.141 3.740 ( 1.386 -2.232 -0.547) 2.684 3.790 ( 2.916 1.290 0.005) 3.188 3.799 ( 2.063 1.368 0.501) 2.525 3.870 ( -0.926 1.805 -0.391) 2.066 3.890 ( -1.459 -0.109 -0.439) 1.527 3.902 ( 0.663 -1.130 0.186) 1.323 3.925 ( -0.178 -1.538 0.146) 1.555 3.953 ( 0.370 1.642 -0.371) 1.724 3.987 ( 3.056 1.682 0.773) 3.573 4.035 ( -1.259 -0.315 0.391) 1.356 4.051 ( -1.642 -1.933 -0.987) 2.722 4.108 ( 4.760 1.618 1.220) 5.173 4.141 ( 3.779 1.831 -0.377) 4.216 4.236 ( 3.319 1.146 0.283) 3.522 4.244 ( 3.614 -0.222 -0.292) 3.632 4.468 ( -1.233 0.394 -0.186) 1.308 4.481 ( -0.101 2.245 -0.003) 2.247 4.494 ( -1.807 2.910 0.102) 3.427 4.504 ( -1.830 1.009 0.222) 2.101 4.955 ( 3.072 1.506 0.382) 3.443 4.975 ( 2.334 2.430 -0.559) 3.416 5.321 ( -5.784 -5.356 0.602) 7.905 5.350 ( -6.527 -4.472 -0.454) 7.926 5.621 ( 1.196 -1.552 0.285) 1.980 5.644 ( 1.475 -1.443 -0.382) 2.099 5.676 ( 0.130 -1.279 0.048) 1.287 5.688 ( 0.188 -1.861 0.262) 1.889 5.967 ( 2.852 5.621 -0.111) 6.304 5.998 ( 4.040 5.147 0.355) 6.553 6.185 ( -0.688 -0.438 -0.459) 0.936 6.201 ( 0.158 -1.242 0.276) 1.283 6.344 ( -0.395 0.271 0.076) 0.485 6.395 ( -0.100 -0.397 -0.412) 0.581 6.443 ( 0.761 -1.963 0.619) 2.194 6.486 ( 0.237 -1.922 -0.379) 1.973 6.936 ( -0.262 -0.007 -0.104) 0.282 6.945 ( -0.003 -0.525 -0.191) 0.558 6.948 ( -0.924 -0.369 0.172) 1.010 6.964 ( -0.390 -0.571 0.003) 0.691 14.553 ( -0.762 0.560 -0.395) 1.024 14.560 ( -0.451 0.497 0.358) 0.761 14.617 ( -1.256 -0.812 0.320) 1.529 14.626 ( -1.376 -0.744 -0.372) 1.608 15.123 ( 0.095 1.754 0.008) 1.756 15.159 ( 1.080 1.631 -0.910) 2.158 15.179 ( 1.648 0.612 1.141) 2.096 15.211 ( 2.844 0.431 -0.397) 2.904 15.425 ( -0.317 1.514 -0.045) 1.547 15.445 ( -0.116 0.900 -0.006) 0.908 15.528 ( -2.554 -0.150 0.185) 2.565 15.555 ( -2.904 0.195 -0.234) 2.920 15.729 ( 2.804 -0.197 -0.281) 2.825 15.770 ( 3.860 0.335 0.187) 3.879 15.921 ( 0.149 -2.933 0.600) 2.997 15.958 ( 0.469 -2.539 -0.775) 2.696 16.081 ( -1.450 -2.937 0.247) 3.284 16.119 ( -0.635 -2.973 -0.931) 3.180 16.125 ( -0.092 -1.943 0.421) 1.991 16.131 ( -0.991 -2.518 -0.237) 2.716 17.492 ( -0.254 1.727 0.525) 1.823 17.529 ( -0.807 2.244 -1.302) 2.718 17.607 ( -0.872 -2.176 0.651) 2.433 17.638 ( -0.755 -2.057 -0.128) 2.195 17.873 ( 1.849 2.640 0.879) 3.341 17.929 ( 2.235 2.229 -1.446) 3.472 18.012 ( -0.262 1.100 -0.245) 1.157 18.054 ( 2.254 -1.021 -0.417) 2.510 18.070 ( -1.288 2.875 1.493) 3.486 18.160 ( 1.395 3.537 -1.467) 4.075 18.321 ( -3.214 -1.811 0.986) 3.819 18.343 ( -2.678 -0.540 -1.269) 3.012 18.588 ( -0.416 2.208 -0.871) 2.410 18.666 ( 2.764 0.960 2.101) 3.602 18.711 ( 0.112 0.498 1.108) 1.220 18.757 ( 1.373 -0.425 -0.778) 1.635 18.790 ( 2.329 1.034 2.604) 3.644 18.854 ( 1.217 0.396 -2.363) 2.687 19.143 ( -5.844 2.826 0.327) 6.500 19.183 ( -4.161 1.407 0.369) 4.408 ======================= Grid point 47 (25/44) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 7.576 3.976 2.003) 8.787 0.845 ( 4.050 5.169 -1.277) 6.690 0.944 ( 2.936 5.500 5.006) 7.995 0.981 ( -9.488 3.559 -2.149) 10.359 1.001 ( -0.267 5.969 3.121) 6.741 1.102 ( 1.059 2.654 -4.623) 5.435 1.148 ( -2.164 -0.512 3.460) 4.113 1.235 ( 0.974 -1.174 -1.835) 2.386 1.311 ( -1.991 -3.118 -0.305) 3.712 1.323 ( -0.731 -2.859 -0.953) 3.101 1.360 ( -0.349 1.844 1.094) 2.172 1.410 ( -1.966 -0.909 -0.991) 2.382 1.514 ( 0.765 0.604 -1.319) 1.640 1.591 ( 1.406 1.451 2.955) 3.580 1.630 ( 4.095 0.247 0.738) 4.168 1.665 ( 0.835 0.560 0.495) 1.121 1.712 ( -0.917 1.653 -3.687) 4.144 1.760 ( -0.324 -1.980 1.032) 2.256 1.787 ( 0.804 -0.719 -2.667) 2.877 1.845 ( -4.369 -0.853 2.625) 5.168 1.904 ( 1.566 -0.363 1.951) 2.528 1.945 ( 0.908 0.800 -3.985) 4.164 1.975 ( -1.464 -1.206 -3.312) 3.817 2.017 ( -0.927 1.523 0.565) 1.870 2.079 ( -1.240 0.139 -0.263) 1.275 2.094 ( 3.677 4.792 1.474) 6.217 2.141 ( 0.149 0.508 0.904) 1.048 2.172 ( -0.105 3.032 2.663) 4.037 2.242 ( -2.087 -0.354 -2.080) 2.968 2.257 ( 0.005 -1.019 0.521) 1.144 2.315 ( 4.645 4.901 -1.624) 6.945 2.354 ( 1.316 -0.751 0.168) 1.525 2.379 ( 2.378 -2.069 1.153) 3.357 2.402 ( 0.734 -0.228 -1.320) 1.528 2.426 ( -2.216 -4.401 0.964) 5.021 2.448 ( 2.578 0.761 0.023) 2.688 2.463 ( 3.805 0.617 -1.442) 4.115 2.514 ( 1.343 -2.976 -0.032) 3.265 2.567 ( -0.995 -0.151 0.995) 1.415 2.603 ( -2.226 -1.228 0.310) 2.561 2.627 ( -1.071 -2.781 -0.852) 3.099 2.667 ( -0.333 -0.870 -0.532) 1.073 2.744 ( -3.657 -1.045 1.298) 4.018 2.787 ( -4.550 -0.562 1.544) 4.837 2.832 ( -1.029 1.154 -1.916) 2.462 2.863 ( -0.636 0.505 2.633) 2.756 2.885 ( -1.002 1.979 -1.334) 2.588 2.940 ( 0.441 1.660 -1.206) 2.099 3.004 ( -0.229 -0.656 -1.632) 1.774 3.049 ( -3.777 1.746 4.739) 6.306 3.137 ( 0.858 2.470 1.056) 2.820 3.162 ( -1.661 0.864 -1.368) 2.318 3.170 ( 3.658 -3.513 -1.347) 5.247 3.218 ( -6.886 -2.005 -2.213) 7.506 3.249 ( -2.848 0.972 1.069) 3.194 3.310 ( -2.693 -1.829 1.211) 3.473 3.475 ( 2.900 4.151 1.867) 5.397 3.542 ( 1.745 2.185 -0.820) 2.914 3.574 ( 0.983 1.723 -0.172) 1.991 3.579 ( 0.846 3.286 -0.086) 3.394 3.611 ( 0.682 1.408 -0.155) 1.572 3.651 ( 0.967 -1.124 1.210) 1.914 3.668 ( 1.032 -0.880 -0.708) 1.530 3.725 ( 1.753 -2.367 0.348) 2.966 3.746 ( 1.833 -1.654 -1.183) 2.738 3.768 ( 1.752 -2.542 -0.268) 3.099 3.787 ( -2.631 -0.065 0.632) 2.707 3.840 ( -2.660 -1.674 -0.519) 3.185 3.854 ( 1.769 0.727 0.503) 1.977 3.889 ( 0.294 0.780 0.206) 0.859 3.905 ( 2.263 0.294 -0.122) 2.285 3.929 ( 0.970 -1.170 -0.085) 1.522 3.957 ( -1.831 -0.666 0.523) 2.017 3.968 ( -0.516 -1.298 -0.360) 1.442 3.988 ( -3.386 -0.162 -0.483) 3.424 4.021 ( -1.277 -1.428 0.011) 1.916 4.214 ( 3.529 4.054 0.792) 5.433 4.239 ( 4.763 4.174 -0.577) 6.360 4.299 ( 1.560 4.479 0.126) 4.744 4.316 ( 2.083 3.944 -0.280) 4.469 4.428 ( -1.449 -1.297 0.249) 1.961 4.454 ( -1.362 0.750 -0.511) 1.636 4.470 ( -1.229 -0.436 0.257) 1.330 4.475 ( -0.816 0.916 0.045) 1.227 5.043 ( 4.385 0.320 -0.011) 4.397 5.048 ( 5.512 -0.221 0.061) 5.517 5.195 ( -5.828 -2.258 -0.145) 6.252 5.201 ( -7.362 -1.931 -0.081) 7.612 5.647 ( 1.044 -2.781 0.379) 2.995 5.664 ( 0.723 -1.907 -0.224) 2.052 5.673 ( -0.249 -2.689 -0.137) 2.704 5.685 ( -0.679 -2.835 0.215) 2.923 6.037 ( 3.262 2.926 0.222) 4.388 6.088 ( 3.868 2.158 -0.208) 4.434 6.156 ( -1.857 0.003 -0.261) 1.875 6.181 ( -1.949 -0.658 0.113) 2.060 6.353 ( 0.694 1.070 0.362) 1.326 6.391 ( 0.011 1.194 -0.412) 1.264 6.465 ( 0.809 -1.616 0.199) 1.818 6.481 ( -0.501 -0.948 -0.064) 1.074 6.930 ( -0.399 -0.381 -0.023) 0.552 6.936 ( -0.238 -0.573 0.318) 0.697 6.939 ( -0.188 -0.894 -0.218) 0.940 6.954 ( -0.371 -0.843 -0.123) 0.929 14.541 ( -0.056 -0.201 -0.097) 0.230 14.557 ( -0.491 -0.542 0.452) 0.860 14.591 ( -0.397 -0.202 -0.588) 0.738 14.599 ( -1.159 -0.369 0.240) 1.240 15.132 ( 0.493 1.447 0.202) 1.542 15.170 ( 0.449 1.250 -1.228) 1.809 15.215 ( 0.724 0.021 1.605) 1.761 15.260 ( 1.815 -0.460 -0.655) 1.984 15.429 ( 0.996 2.510 -0.159) 2.705 15.452 ( 0.783 1.806 0.159) 1.975 15.477 ( -2.268 2.104 0.249) 3.104 15.492 ( -2.547 2.840 -0.280) 3.825 15.788 ( 2.262 -2.637 0.433) 3.501 15.841 ( 2.446 -2.314 -0.688) 3.436 15.918 ( -0.015 -4.503 0.199) 4.508 15.956 ( -1.038 -3.919 -0.013) 4.054 16.059 ( -0.211 -1.148 0.064) 1.169 16.096 ( -0.890 -1.758 -0.826) 2.137 16.114 ( -0.432 -1.136 0.103) 1.220 16.125 ( -0.081 -1.303 0.179) 1.318 17.492 ( 0.009 1.153 0.387) 1.217 17.517 ( 0.091 1.594 -0.776) 1.775 17.591 ( -0.830 -2.496 0.915) 2.786 17.620 ( -0.535 -2.503 -0.324) 2.580 17.922 ( 2.278 3.643 0.401) 4.315 17.974 ( 1.085 3.598 -0.260) 3.767 17.993 ( -0.244 1.963 0.025) 1.978 18.053 ( -1.307 1.281 1.494) 2.363 18.104 ( 2.611 -0.534 -0.641) 2.741 18.187 ( 1.627 1.390 -1.499) 2.613 18.245 ( -3.863 -1.614 0.269) 4.195 18.286 ( -1.617 -0.026 -0.852) 1.828 18.586 ( 0.509 1.997 -0.099) 2.064 18.710 ( -0.911 0.443 2.728) 2.910 18.718 ( 0.727 -1.006 -1.074) 1.642 18.770 ( 0.602 0.203 -1.151) 1.315 18.860 ( 3.805 2.237 0.880) 4.501 18.893 ( 1.434 2.036 0.985) 2.679 19.023 ( -3.831 3.412 -0.499) 5.155 19.090 ( -4.611 1.851 -0.308) 4.978 ======================= Grid point 48 (26/44) ======================= q-point: (-0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -10.295 6.253 0.739) 12.068 0.779 ( -7.940 7.890 2.733) 11.522 0.993 ( 6.711 -0.843 -0.898) 6.823 1.040 ( -5.332 1.077 -0.549) 5.467 1.066 ( 7.136 3.938 1.836) 8.355 1.119 ( 3.482 4.778 2.074) 6.265 1.171 ( 4.858 1.265 1.896) 5.366 1.239 ( 0.974 1.300 -1.133) 1.981 1.262 ( -0.406 -2.227 -3.727) 4.361 1.309 ( -2.879 -1.457 -0.906) 3.351 1.373 ( -1.170 -2.169 0.087) 2.466 1.398 ( 2.475 2.188 0.621) 3.361 1.487 ( -2.325 1.029 1.089) 2.766 1.589 ( -2.483 -1.945 -0.650) 3.220 1.644 ( -1.027 2.336 1.081) 2.771 1.657 ( -0.894 0.671 -3.215) 3.403 1.702 ( -2.349 2.497 0.890) 3.542 1.716 ( -4.442 3.766 0.487) 5.844 1.767 ( 1.893 0.070 1.599) 2.478 1.845 ( 2.655 -4.375 -1.452) 5.320 1.901 ( -0.169 -0.394 -2.300) 2.340 1.914 ( -2.159 -1.735 -2.633) 3.822 2.000 ( 2.099 -1.229 4.253) 4.899 2.015 ( 0.547 0.960 -0.595) 1.255 2.085 ( 0.747 1.076 -1.138) 1.735 2.107 ( -1.324 1.139 -0.486) 1.813 2.141 ( 2.789 0.490 -0.531) 2.881 2.173 ( -1.762 -0.254 0.540) 1.861 2.231 ( 2.576 -0.121 -0.328) 2.600 2.265 ( -2.907 0.653 0.456) 3.014 2.323 ( -3.465 -0.779 1.536) 3.870 2.351 ( -1.730 -2.215 1.691) 3.280 2.418 ( 0.662 2.951 -0.664) 3.096 2.423 ( -1.010 0.011 0.551) 1.151 2.459 ( 2.729 -1.837 -0.169) 3.294 2.480 ( 1.506 -0.310 -1.700) 2.292 2.501 ( -1.966 -0.086 -0.986) 2.201 2.507 ( 0.827 0.453 0.875) 1.286 2.564 ( 1.473 0.085 -2.095) 2.562 2.602 ( 3.677 -2.595 0.962) 4.602 2.646 ( 2.304 0.388 -1.912) 3.019 2.657 ( 1.856 -0.244 -1.415) 2.346 2.718 ( 1.467 -0.823 1.980) 2.598 2.759 ( 1.177 -0.390 3.985) 4.173 2.816 ( -1.367 0.014 -2.110) 2.514 2.862 ( 2.588 1.317 -1.304) 3.184 2.900 ( 1.964 -0.176 0.726) 2.101 2.962 ( -2.445 3.749 -1.268) 4.652 2.996 ( -0.572 -1.282 4.819) 5.020 3.030 ( -1.495 1.535 2.342) 3.175 3.073 ( -1.681 -3.079 -3.814) 5.182 3.129 ( 0.867 1.856 0.074) 2.049 3.187 ( 2.838 -2.847 -1.696) 4.363 3.224 ( 3.128 2.817 1.204) 4.378 3.265 ( 1.602 -0.632 -0.934) 1.959 3.326 ( 4.637 -1.614 1.207) 5.056 3.485 ( -2.531 2.524 1.665) 3.943 3.555 ( -1.764 2.306 -0.270) 2.916 3.568 ( -0.865 3.329 -0.113) 3.441 3.585 ( 0.943 2.696 -1.273) 3.127 3.608 ( -2.024 0.022 1.002) 2.259 3.641 ( -1.984 0.067 0.155) 1.991 3.677 ( -1.711 -1.045 0.430) 2.050 3.712 ( -0.110 -1.089 -0.634) 1.265 3.744 ( -3.624 -2.403 -0.088) 4.349 3.759 ( -0.296 -2.902 -0.738) 3.009 3.795 ( 2.290 -0.750 0.452) 2.452 3.839 ( 2.636 -0.810 -0.431) 2.791 3.859 ( -1.999 1.065 0.640) 2.354 3.899 ( 1.465 -0.222 0.575) 1.589 3.906 ( -1.453 -1.128 -0.910) 2.052 3.915 ( -2.850 0.593 0.211) 2.919 3.956 ( 0.986 -1.107 0.667) 1.625 3.976 ( 2.636 -0.497 -0.742) 2.783 3.986 ( 0.410 -0.642 -0.463) 0.891 4.011 ( 2.073 -1.206 0.198) 2.406 4.209 ( -4.153 4.064 0.603) 5.842 4.242 ( -4.373 4.056 -0.380) 5.976 4.302 ( -1.750 4.163 0.218) 4.522 4.313 ( -1.945 4.320 -0.391) 4.754 4.431 ( 1.818 -0.381 0.321) 1.885 4.451 ( 1.243 -1.418 -0.552) 1.964 4.470 ( 0.810 0.839 0.166) 1.179 4.474 ( 0.977 0.907 0.106) 1.337 5.041 ( -4.719 -0.408 0.001) 4.737 5.059 ( -5.297 0.621 0.053) 5.334 5.190 ( 6.908 -2.416 -0.175) 7.320 5.197 ( 6.400 -2.003 -0.059) 6.706 5.650 ( -1.046 -2.686 0.402) 2.910 5.667 ( -0.805 -2.245 -0.258) 2.399 5.673 ( 0.244 -2.146 -0.220) 2.171 5.679 ( 0.665 -2.993 0.315) 3.082 6.047 ( -3.548 2.517 0.458) 4.374 6.071 ( -3.278 2.519 -0.453) 4.159 6.166 ( 1.064 -0.150 -0.370) 1.137 6.178 ( 2.384 -0.587 0.233) 2.466 6.359 ( -0.233 1.190 0.587) 1.347 6.382 ( -0.651 1.095 -0.627) 1.420 6.466 ( -0.510 -1.399 0.182) 1.500 6.482 ( 0.395 -1.131 -0.057) 1.199 6.927 ( 0.221 -0.416 0.050) 0.474 6.938 ( 0.339 -0.734 0.001) 0.808 6.944 ( 0.485 -0.872 0.125) 1.005 6.952 ( 0.345 -0.821 -0.223) 0.918 14.544 ( -0.325 -0.244 -0.213) 0.458 14.555 ( 1.191 -0.525 0.600) 1.433 14.584 ( -0.238 -0.037 -0.402) 0.469 14.606 ( 1.488 -0.499 0.022) 1.570 15.137 ( -0.270 1.359 0.431) 1.451 15.160 ( -0.554 1.196 -1.214) 1.792 15.219 ( -1.222 0.092 1.358) 1.829 15.262 ( -1.275 -0.314 -0.648) 1.464 15.435 ( -1.214 2.581 -0.379) 2.878 15.446 ( -0.449 1.574 0.381) 1.681 15.474 ( 2.394 2.662 0.138) 3.583 15.498 ( 2.459 2.256 -0.178) 3.342 15.794 ( -2.208 -2.625 0.591) 3.481 15.834 ( -2.310 -2.352 -0.813) 3.396 15.924 ( -0.482 -4.300 0.196) 4.332 15.952 ( 1.534 -4.028 -0.049) 4.311 16.069 ( 0.527 -1.014 0.376) 1.203 16.085 ( 0.858 -1.635 -1.031) 2.114 16.113 ( 0.204 -1.267 0.163) 1.294 16.129 ( 0.501 -1.559 -0.004) 1.637 17.492 ( -0.250 1.239 0.380) 1.320 17.515 ( 0.246 1.359 -0.715) 1.555 17.594 ( 0.579 -2.322 0.778) 2.517 17.623 ( 0.996 -2.766 -0.249) 2.950 17.917 ( -2.831 3.778 0.306) 4.731 17.983 ( 1.910 3.590 -0.328) 4.079 18.018 ( -1.088 0.387 0.062) 1.157 18.040 ( 0.475 2.202 1.554) 2.737 18.126 ( -0.988 1.218 0.222) 1.584 18.157 ( -1.968 -0.141 -2.333) 3.055 18.228 ( 2.018 -1.518 0.215) 2.534 18.299 ( 2.951 -0.024 -1.095) 3.148 18.604 ( 0.670 1.582 1.633) 2.370 18.686 ( -1.748 -0.931 -3.022) 3.613 18.704 ( -1.449 0.840 2.788) 3.252 18.770 ( -0.606 0.458 -0.248) 0.799 18.841 ( -4.273 3.294 0.530) 5.421 18.933 ( -0.434 1.632 1.087) 2.008 19.026 ( 3.344 2.940 -0.412) 4.471 19.070 ( 4.527 2.233 -0.531) 5.075 ======================= Grid point 49 (27/44) ======================= q-point: (-0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -1.887 11.879 4.844) 12.967 0.665 ( -4.801 11.236 5.602) 13.442 0.956 ( 0.432 6.893 -5.326) 8.722 1.084 ( -0.637 1.447 -0.038) 1.581 1.141 ( -5.024 7.503 2.385) 9.339 1.165 ( -0.647 3.728 0.013) 3.784 1.171 ( -2.262 2.268 -8.050) 8.664 1.220 ( 4.889 3.075 1.138) 5.886 1.289 ( 1.516 1.822 1.281) 2.694 1.325 ( 3.039 0.466 1.325) 3.348 1.361 ( 0.568 -0.275 2.148) 2.239 1.402 ( -1.787 3.522 2.512) 4.681 1.482 ( 0.794 0.687 0.919) 1.396 1.536 ( -0.885 1.388 -1.949) 2.551 1.603 ( -2.373 -1.070 1.386) 2.949 1.638 ( -1.212 5.605 0.281) 5.742 1.658 ( -2.499 3.722 2.105) 4.953 1.723 ( 2.852 -0.921 -0.854) 3.116 1.770 ( -0.547 1.739 0.023) 1.823 1.846 ( -0.957 -3.265 -2.401) 4.164 1.862 ( -0.303 -2.120 -0.447) 2.188 1.908 ( -0.359 1.114 0.475) 1.264 1.991 ( -2.038 -1.300 1.185) 2.692 2.008 ( -4.256 4.889 -1.172) 6.587 2.057 ( -1.003 -0.134 -0.321) 1.062 2.103 ( -1.712 -0.394 0.109) 1.761 2.145 ( 2.796 -0.019 -2.876) 4.011 2.201 ( 2.261 -3.103 -3.749) 5.366 2.223 ( -1.818 -1.757 2.340) 3.445 2.285 ( -2.860 1.045 -0.530) 3.090 2.295 ( 2.274 -2.247 0.259) 3.208 2.346 ( 3.462 -0.565 1.207) 3.710 2.398 ( 1.354 -1.397 -0.669) 2.057 2.425 ( -0.311 -0.015 -1.449) 1.482 2.432 ( -0.304 -0.350 0.970) 1.075 2.480 ( 1.267 -2.152 -0.314) 2.517 2.511 ( 1.247 -3.724 -0.662) 3.982 2.563 ( 3.341 -0.441 -3.783) 5.067 2.632 ( 3.092 -1.496 2.921) 4.509 2.647 ( 1.222 -3.196 0.101) 3.423 2.679 ( -0.631 -1.175 -1.178) 1.780 2.690 ( 1.360 -3.950 -0.893) 4.272 2.776 ( 0.731 -1.773 -1.542) 2.460 2.791 ( 0.258 -3.074 1.798) 3.571 2.851 ( 5.526 0.390 0.926) 5.617 2.861 ( -1.830 0.314 -2.119) 2.817 2.890 ( -0.213 0.443 0.298) 0.574 2.938 ( -1.501 -2.221 1.157) 2.920 3.007 ( 0.661 -0.070 3.127) 3.197 3.062 ( 2.827 1.812 1.465) 3.663 3.073 ( 1.776 -2.300 -1.581) 3.308 3.139 ( 0.462 -0.526 1.292) 1.469 3.213 ( -1.909 0.600 1.438) 2.464 3.298 ( 4.115 -0.299 0.129) 4.128 3.336 ( 1.881 2.759 -0.967) 3.476 3.405 ( -1.479 -1.942 -0.519) 2.495 3.454 ( -0.909 2.580 0.659) 2.814 3.512 ( 0.835 1.333 0.066) 1.574 3.522 ( 0.491 1.380 -0.681) 1.615 3.578 ( -1.144 0.164 0.141) 1.164 3.595 ( 2.263 1.939 0.268) 2.992 3.628 ( 0.312 3.345 1.001) 3.506 3.669 ( -0.750 -0.765 0.569) 1.213 3.687 ( -0.358 -0.496 -0.571) 0.837 3.709 ( 0.019 -2.028 -0.257) 2.044 3.741 ( -0.763 -2.692 -0.545) 2.851 3.791 ( -3.299 1.136 0.045) 3.489 3.811 ( -2.105 1.564 0.455) 2.662 3.876 ( 0.519 -0.333 -0.641) 0.890 3.889 ( 1.122 0.027 -0.196) 1.139 3.898 ( 0.275 0.471 0.200) 0.581 3.928 ( 0.545 -1.194 0.403) 1.373 3.951 ( -2.220 0.847 -1.242) 2.681 3.982 ( 0.031 0.998 1.783) 2.044 4.017 ( -0.052 0.567 -0.631) 0.850 4.049 ( -0.192 0.114 -0.258) 0.341 4.113 ( -3.525 -0.580 1.033) 3.719 4.143 ( -3.628 2.608 -0.338) 4.481 4.230 ( -3.666 0.066 0.146) 3.670 4.245 ( -3.432 0.979 -0.151) 3.572 4.472 ( 0.370 1.025 -0.242) 1.116 4.484 ( 0.497 1.912 -0.108) 1.978 4.488 ( 2.482 1.066 0.256) 2.713 4.502 ( 1.545 2.608 0.232) 3.041 4.951 ( -3.243 1.196 0.171) 3.461 4.984 ( -2.274 2.713 -0.361) 3.559 5.316 ( 5.344 -5.903 0.546) 7.981 5.348 ( 7.140 -3.933 -0.396) 8.161 5.623 ( -1.742 -2.135 0.252) 2.768 5.649 ( -0.805 -0.814 -0.367) 1.203 5.672 ( -0.378 -0.924 0.024) 0.998 5.686 ( -0.184 -2.334 0.328) 2.364 5.960 ( -3.540 5.344 -0.044) 6.410 6.001 ( -3.416 5.580 0.305) 6.550 6.181 ( 0.395 -0.841 -0.330) 0.986 6.205 ( 0.106 -0.778 0.145) 0.798 6.362 ( 0.095 -0.068 0.629) 0.639 6.372 ( 0.476 -0.106 -0.849) 0.979 6.452 ( -0.998 -2.092 0.564) 2.385 6.486 ( 0.019 -1.943 -0.444) 1.993 6.935 ( 0.361 -0.048 -0.051) 0.367 6.946 ( 0.409 -0.674 -0.178) 0.809 6.952 ( 0.298 -0.486 0.108) 0.580 6.962 ( 0.481 -0.472 -0.010) 0.674 14.550 ( 0.980 0.558 -0.188) 1.143 14.571 ( -0.026 0.769 0.179) 0.790 14.600 ( 1.732 -0.941 0.019) 1.971 14.636 ( 1.276 -0.885 -0.105) 1.557 15.132 ( -0.270 1.571 0.295) 1.621 15.140 ( -0.601 1.492 -0.685) 1.748 15.189 ( -2.065 0.772 0.691) 2.311 15.213 ( -2.731 0.692 -0.462) 2.855 15.426 ( 0.292 1.168 -0.053) 1.205 15.445 ( 0.143 1.214 -0.008) 1.222 15.532 ( 2.728 -0.027 0.227) 2.738 15.552 ( 2.670 -0.122 -0.286) 2.688 15.732 ( -3.138 -0.170 -0.302) 3.157 15.769 ( -3.354 0.399 0.209) 3.384 15.913 ( -0.766 -2.422 0.384) 2.570 15.970 ( 0.208 -3.285 -0.581) 3.342 16.086 ( 0.842 -2.182 0.325) 2.361 16.108 ( 1.216 -2.414 -0.266) 2.716 16.122 ( 0.654 -3.021 -0.478) 3.128 16.141 ( 0.615 -2.700 -0.112) 2.771 17.491 ( -0.057 1.898 0.497) 1.963 17.526 ( 1.488 1.661 -1.084) 2.480 17.615 ( 0.781 -1.936 0.284) 2.107 17.644 ( 0.717 -2.561 -0.010) 2.660 17.865 ( -2.125 2.786 0.542) 3.545 17.968 ( -2.308 0.970 -1.617) 2.981 18.009 ( -0.078 1.036 0.078) 1.042 18.047 ( -0.600 0.771 0.218) 1.001 18.089 ( -1.847 1.432 1.596) 2.830 18.137 ( 1.163 4.272 -2.466) 5.068 18.292 ( 3.367 -1.511 0.341) 3.706 18.356 ( 2.719 -0.504 -0.441) 2.800 18.611 ( -1.299 0.913 0.688) 1.731 18.644 ( -0.542 -0.131 -0.558) 0.789 18.691 ( -1.227 1.126 2.000) 2.603 18.736 ( -2.158 2.952 1.993) 4.164 18.786 ( -1.542 0.441 -1.028) 1.905 18.892 ( -1.809 0.136 -0.967) 2.056 19.130 ( 4.615 2.560 0.372) 5.291 19.183 ( 5.748 1.720 0.373) 6.011 ======================= Grid point 50 (28/44) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.648 9.778 5.805) 11.390 0.982 ( 1.104 13.105 2.149) 13.326 1.007 ( -0.355 -6.605 1.821) 6.861 1.136 ( 0.065 5.675 -4.637) 7.329 1.145 ( 0.169 1.951 -4.210) 4.643 1.187 ( -1.165 1.898 -2.446) 3.308 1.239 ( -3.627 1.261 -0.706) 3.904 1.288 ( 2.052 0.460 -2.368) 3.167 1.347 ( 2.181 0.054 1.366) 2.574 1.398 ( 4.007 -1.375 1.380) 4.455 1.418 ( -2.925 0.575 3.605) 4.677 1.457 ( -3.996 -1.860 2.449) 5.043 1.505 ( 1.951 0.921 -1.602) 2.687 1.522 ( 1.964 0.690 -1.374) 2.494 1.581 ( 0.369 1.212 1.907) 2.290 1.632 ( -1.972 -0.679 -1.413) 2.519 1.709 ( -1.384 1.559 1.422) 2.524 1.774 ( 1.733 -0.700 -1.097) 2.168 1.803 ( 3.112 7.616 1.889) 8.442 1.848 ( 1.073 2.240 0.472) 2.528 1.880 ( -2.264 2.341 1.895) 3.768 1.933 ( -0.690 0.603 -2.189) 2.373 1.956 ( 2.676 -3.195 -0.395) 4.186 2.006 ( 3.304 -1.210 1.338) 3.764 2.019 ( -2.948 1.415 -0.130) 3.272 2.083 ( -2.589 -1.006 0.932) 2.930 2.110 ( -0.552 -1.566 2.127) 2.698 2.148 ( -0.344 -2.925 3.162) 4.320 2.207 ( 0.809 1.472 -1.682) 2.377 2.249 ( 0.167 -0.147 -1.378) 1.396 2.292 ( 0.688 -0.092 -0.124) 0.705 2.334 ( -0.456 -2.296 0.876) 2.499 2.375 ( 0.345 -0.074 -0.731) 0.812 2.404 ( 0.747 -2.860 0.076) 2.957 2.450 ( -1.547 1.011 -0.857) 2.037 2.490 ( -1.784 -1.216 -1.082) 2.415 2.517 ( -0.607 1.800 -1.000) 2.146 2.559 ( 0.014 1.376 -2.083) 2.496 2.582 ( -1.407 0.015 -3.261) 3.551 2.593 ( -0.206 -3.778 -3.822) 5.378 2.624 ( -0.602 -3.844 -1.426) 4.144 2.648 ( 1.095 -2.611 -2.289) 3.641 2.698 ( 1.227 -0.950 -0.479) 1.624 2.705 ( -0.259 -2.473 -0.023) 2.486 2.844 ( -0.505 -0.658 1.128) 1.400 2.868 ( -1.492 -2.236 0.835) 2.814 2.901 ( 1.061 0.905 2.254) 2.651 2.940 ( 1.640 -1.797 0.509) 2.486 2.973 ( 0.415 0.397 1.984) 2.065 3.023 ( 0.514 -4.108 0.633) 4.188 3.144 ( -1.018 2.976 0.835) 3.255 3.182 ( 1.612 1.844 0.510) 2.502 3.198 ( 0.797 -0.022 2.452) 2.579 3.266 ( -0.083 -4.145 -0.213) 4.151 3.369 ( -1.369 0.658 -0.971) 1.803 3.377 ( -2.101 -0.241 -1.079) 2.374 3.500 ( 3.048 4.968 1.214) 5.954 3.560 ( -2.194 3.035 -1.418) 4.005 3.573 ( 1.584 -2.440 0.534) 2.958 3.593 ( 0.616 -0.058 0.001) 0.618 3.632 ( -1.386 2.031 0.205) 2.468 3.653 ( -0.796 0.651 -0.715) 1.252 3.674 ( 0.734 -0.862 0.225) 1.155 3.685 ( 0.030 -1.834 -0.249) 1.851 3.721 ( 0.748 2.677 1.403) 3.114 3.780 ( -0.031 1.191 -0.690) 1.377 3.785 ( 0.035 -0.539 0.328) 0.632 3.800 ( -1.021 0.831 -0.152) 1.325 3.831 ( -0.414 -0.331 0.951) 1.089 3.863 ( -0.445 -0.122 -0.673) 0.815 3.878 ( 1.371 -2.108 0.242) 2.526 3.901 ( 0.023 -2.529 -0.792) 2.650 4.010 ( 0.309 5.975 1.007) 6.067 4.042 ( -0.245 3.434 0.529) 3.483 4.051 ( -2.122 2.427 0.053) 3.224 4.072 ( 2.046 1.345 0.553) 2.511 4.092 ( 0.375 1.253 -0.502) 1.401 4.123 ( -0.389 -0.895 -0.750) 1.230 4.132 ( 0.815 -4.418 0.601) 4.533 4.149 ( -0.804 -3.832 -0.113) 3.917 4.504 ( 0.161 0.843 0.096) 0.864 4.511 ( -0.093 0.436 -0.286) 0.529 4.520 ( -0.314 -0.445 0.153) 0.565 4.522 ( 0.225 -0.587 0.052) 0.631 5.029 ( -0.107 7.980 1.116) 8.058 5.084 ( 0.022 8.499 -1.232) 8.588 5.207 ( -0.052 -9.299 1.306) 9.390 5.266 ( 0.160 -9.238 -1.226) 9.320 5.616 ( 0.057 1.410 0.516) 1.502 5.640 ( -0.419 0.064 -0.565) 0.706 5.655 ( 0.292 -1.072 0.306) 1.152 5.660 ( 0.039 -0.810 0.016) 0.811 6.055 ( 0.264 6.040 0.841) 6.104 6.092 ( -0.316 6.012 -0.751) 6.067 6.151 ( 0.353 -3.291 0.507) 3.349 6.175 ( -0.305 -2.335 -0.553) 2.419 6.351 ( -0.376 0.046 0.127) 0.400 6.365 ( 0.584 -1.183 -0.573) 1.439 6.405 ( -0.302 -0.553 0.721) 0.957 6.425 ( 0.135 -2.427 -0.281) 2.447 6.943 ( 0.108 0.086 -0.110) 0.176 6.944 ( -0.029 -0.020 -0.126) 0.131 6.957 ( -0.047 -0.038 0.190) 0.200 6.959 ( -0.061 -0.246 0.091) 0.269 14.584 ( 0.142 0.938 -0.008) 0.949 14.591 ( -0.424 1.053 -0.353) 1.188 14.608 ( 0.373 -0.542 0.490) 0.820 14.624 ( -0.093 -1.307 -0.275) 1.339 15.155 ( -0.085 0.789 0.389) 0.884 15.159 ( 0.349 0.408 0.369) 0.652 15.186 ( -0.180 0.890 -0.484) 1.029 15.190 ( -0.095 0.427 -0.529) 0.686 15.455 ( 0.188 2.145 0.325) 2.177 15.471 ( -0.191 1.538 -0.352) 1.589 15.511 ( -0.096 -2.543 0.071) 2.545 15.515 ( 0.158 -3.539 -0.122) 3.545 15.778 ( 0.046 4.394 0.277) 4.403 15.797 ( -0.115 4.485 -0.558) 4.521 15.862 ( 0.032 -3.309 0.681) 3.379 15.892 ( 0.009 -4.406 -0.623) 4.450 16.049 ( -0.151 -1.305 -0.342) 1.357 16.057 ( 0.212 -2.298 -0.718) 2.416 16.094 ( 0.091 -0.547 0.447) 0.713 16.101 ( -0.083 -1.255 0.236) 1.279 17.533 ( -0.198 1.806 0.522) 1.890 17.563 ( 0.558 -0.729 -0.569) 1.080 17.593 ( -0.491 0.064 0.055) 0.498 17.613 ( 0.108 -1.518 -0.513) 1.606 17.905 ( 0.013 3.151 0.684) 3.224 17.946 ( 0.032 0.188 -1.307) 1.321 17.990 ( -0.074 -0.684 0.683) 0.970 18.006 ( -0.642 -1.341 -0.232) 1.505 18.181 ( -0.020 5.142 1.061) 5.251 18.239 ( 0.508 3.593 -1.688) 4.003 18.285 ( 0.283 -3.034 1.110) 3.243 18.333 ( 0.000 -3.609 -1.099) 3.773 18.634 ( 1.106 1.258 1.457) 2.220 18.645 ( 0.146 0.331 1.197) 1.250 18.702 ( -0.804 1.287 0.292) 1.545 18.736 ( -1.081 -1.543 -1.047) 2.155 18.802 ( 0.365 3.270 0.666) 3.357 18.850 ( 0.008 -1.438 -1.235) 1.896 19.221 ( 0.190 1.312 0.664) 1.482 19.241 ( -0.080 -0.698 -0.203) 0.731 ======================= Grid point 51 (29/44) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.656 8.739 5.125) 10.152 0.983 ( -0.643 6.461 4.206) 7.736 1.018 ( -3.462 8.214 -3.461) 9.562 1.039 ( 0.654 -0.345 0.522) 0.905 1.139 ( -1.855 -2.302 -1.843) 3.484 1.163 ( -0.585 2.774 -4.744) 5.527 1.189 ( -1.639 -2.871 -0.032) 3.306 1.277 ( -1.582 -4.157 -0.130) 4.449 1.290 ( -5.252 2.224 -1.268) 5.843 1.348 ( -2.335 0.649 2.874) 3.759 1.379 ( -2.957 0.238 1.515) 3.331 1.441 ( -2.678 -2.835 -0.816) 3.984 1.556 ( 2.615 2.278 0.400) 3.491 1.560 ( -0.389 1.594 -1.722) 2.378 1.589 ( 0.269 0.370 1.325) 1.401 1.624 ( 1.512 -3.654 -2.058) 4.459 1.725 ( 0.771 3.480 1.473) 3.857 1.794 ( -3.148 0.507 -0.827) 3.294 1.829 ( 1.227 3.491 -0.361) 3.718 1.864 ( -0.210 -0.638 -0.288) 0.731 1.896 ( 3.846 5.301 2.014) 6.851 1.961 ( 0.077 0.739 -1.733) 1.885 1.975 ( 3.154 0.238 -0.053) 3.163 1.999 ( -2.207 -2.476 -1.423) 3.609 2.034 ( 4.817 0.571 2.063) 5.271 2.103 ( 1.368 -5.085 1.601) 5.504 2.153 ( 1.044 2.079 4.966) 5.484 2.186 ( 2.021 0.396 2.533) 3.265 2.234 ( 0.984 -0.965 -0.231) 1.398 2.255 ( 0.829 -1.415 -0.624) 1.755 2.287 ( -1.436 2.608 -0.765) 3.074 2.346 ( -3.017 -2.987 -0.074) 4.246 2.363 ( 1.755 1.040 -1.765) 2.698 2.382 ( -0.424 2.082 1.877) 2.835 2.401 ( -0.927 -0.408 -3.104) 3.265 2.436 ( -2.576 -1.384 -1.438) 3.259 2.470 ( -0.721 1.811 -1.032) 2.206 2.499 ( -0.802 2.035 -1.299) 2.544 2.530 ( -0.848 -2.717 -0.220) 2.854 2.557 ( 0.649 -3.998 -2.508) 4.764 2.624 ( 0.547 -2.114 -0.131) 2.187 2.662 ( -0.381 -6.115 -0.976) 6.204 2.688 ( -0.286 1.817 -0.320) 1.867 2.732 ( 1.453 -2.029 -1.155) 2.750 2.849 ( -0.610 -0.663 1.929) 2.129 2.871 ( 0.118 -2.026 1.490) 2.518 2.944 ( 1.592 1.811 -0.754) 2.526 2.976 ( 1.868 -0.737 -1.842) 2.725 2.988 ( -0.545 0.903 0.553) 1.190 3.039 ( 0.579 -3.774 0.337) 3.833 3.151 ( 0.584 3.474 2.559) 4.354 3.201 ( 0.014 1.472 -1.048) 1.807 3.227 ( -0.439 1.282 2.565) 2.901 3.276 ( -0.733 -2.097 -1.738) 2.821 3.316 ( -3.345 1.282 0.896) 3.692 3.357 ( -2.578 -2.319 0.919) 3.587 3.491 ( -0.341 2.238 -0.707) 2.372 3.522 ( -0.420 -0.715 0.285) 0.876 3.560 ( -2.150 2.346 -0.245) 3.191 3.599 ( 0.502 -1.291 -0.694) 1.550 3.625 ( 0.135 0.422 1.285) 1.359 3.644 ( 1.343 -0.884 0.410) 1.659 3.680 ( -0.696 1.675 -0.455) 1.870 3.691 ( 0.323 0.014 -1.012) 1.062 3.702 ( 1.042 1.844 -0.284) 2.137 3.741 ( -1.485 3.486 0.541) 3.827 3.780 ( -0.718 -2.847 0.071) 2.937 3.822 ( 0.763 -2.502 0.407) 2.647 3.837 ( 0.616 0.785 0.060) 1.000 3.877 ( 0.305 -1.498 0.432) 1.589 3.901 ( 0.921 0.355 -0.693) 1.206 3.911 ( 1.056 -0.244 -0.263) 1.115 3.992 ( -1.998 1.522 0.446) 2.550 4.012 ( -2.442 -0.317 -0.259) 2.476 4.022 ( -1.915 0.961 0.429) 2.185 4.041 ( -2.364 -0.282 -0.301) 2.399 4.157 ( 5.716 3.068 1.240) 6.605 4.186 ( 6.172 2.482 -0.809) 6.702 4.221 ( 5.648 -2.590 0.046) 6.214 4.233 ( 6.484 -1.532 -0.024) 6.662 4.489 ( -1.560 1.697 -0.245) 2.318 4.495 ( -1.637 0.458 0.310) 1.727 4.507 ( -0.913 -0.477 -0.083) 1.033 4.520 ( -0.882 -0.700 0.036) 1.127 5.036 ( 0.365 6.345 1.077) 6.446 5.073 ( -0.268 6.736 -1.031) 6.820 5.188 ( -2.286 -7.338 1.087) 7.762 5.229 ( -2.817 -7.355 -1.195) 7.966 5.613 ( -0.560 0.696 0.601) 1.076 5.631 ( -0.157 -0.271 -0.214) 0.379 5.649 ( -0.934 -1.375 0.060) 1.663 5.653 ( -0.611 -1.227 -0.238) 1.391 6.077 ( 0.997 5.087 0.352) 5.196 6.096 ( 1.233 4.291 -0.073) 4.465 6.159 ( -0.315 -2.658 -0.325) 2.697 6.164 ( -0.065 -2.320 0.108) 2.323 6.358 ( 1.004 1.166 0.070) 1.540 6.387 ( 1.641 -1.218 -0.652) 2.145 6.413 ( 0.859 0.111 0.664) 1.091 6.443 ( 1.220 -2.210 -0.127) 2.527 6.935 ( -0.621 -0.060 -0.114) 0.634 6.936 ( -0.606 -0.224 -0.117) 0.656 6.947 ( -0.877 0.140 0.180) 0.907 6.953 ( -0.688 -0.479 0.090) 0.843 14.566 ( -1.526 0.655 -0.196) 1.672 14.571 ( -1.363 0.351 0.313) 1.442 14.604 ( -0.786 -0.348 0.081) 0.863 14.610 ( -0.935 -0.779 -0.246) 1.241 15.154 ( 0.024 1.260 0.194) 1.275 15.171 ( 0.457 -0.327 0.124) 0.576 15.200 ( 1.548 1.225 -0.109) 1.977 15.215 ( 2.147 -0.194 -0.449) 2.202 15.466 ( 0.213 2.024 -0.209) 2.046 15.472 ( 1.094 2.442 0.262) 2.689 15.506 ( -0.089 -1.837 -0.148) 1.845 15.530 ( 0.681 -2.578 0.038) 2.667 15.764 ( -0.703 3.479 -0.222) 3.556 15.808 ( 0.892 3.282 0.156) 3.405 15.847 ( -1.434 -4.198 -0.023) 4.437 15.890 ( -0.217 -4.208 -0.067) 4.215 16.044 ( 0.057 -0.502 -0.338) 0.608 16.061 ( 0.371 -2.094 -0.434) 2.171 16.099 ( 0.112 -0.660 0.227) 0.707 16.100 ( -0.039 -0.796 0.200) 0.822 17.525 ( -0.731 1.671 0.411) 1.869 17.556 ( -0.678 -0.672 -0.791) 1.240 17.573 ( -1.318 0.197 0.529) 1.434 17.600 ( -1.015 -1.735 -0.363) 2.043 17.935 ( 2.445 3.340 0.257) 4.147 17.968 ( 2.556 1.180 -0.817) 2.931 18.012 ( 1.116 -0.829 -0.153) 1.399 18.016 ( 1.979 -1.894 0.817) 2.859 18.161 ( -2.480 5.060 1.035) 5.730 18.229 ( -0.468 2.176 -1.447) 2.655 18.265 ( -2.749 -2.553 1.034) 3.891 18.307 ( -1.580 -2.826 -1.380) 3.520 18.640 ( -0.478 2.660 -0.585) 2.765 18.677 ( 1.325 -0.538 0.844) 1.660 18.712 ( 0.625 0.512 1.305) 1.535 18.738 ( 1.701 -1.475 0.175) 2.258 18.830 ( 2.208 2.234 0.550) 3.189 18.858 ( 1.790 -0.452 -1.139) 2.169 19.183 ( -4.261 1.251 0.163) 4.444 19.195 ( -3.772 -0.070 0.030) 3.773 ======================= Grid point 52 (30/44) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.166 4.865 0.691) 4.916 0.953 ( 1.435 4.664 -0.753) 4.938 1.013 ( -5.371 -0.757 -0.972) 5.510 1.049 ( 0.869 1.478 2.744) 3.235 1.059 ( -0.039 0.353 1.392) 1.437 1.123 ( -1.529 -1.153 1.763) 2.603 1.156 ( 0.360 3.236 -3.607) 4.860 1.224 ( -2.074 -1.401 -2.502) 3.539 1.258 ( -0.056 1.277 0.791) 1.503 1.326 ( -1.441 3.020 1.016) 3.497 1.346 ( -0.115 -3.264 1.457) 3.577 1.393 ( -1.098 -2.595 -0.254) 2.829 1.529 ( -0.311 1.547 -0.966) 1.850 1.581 ( -1.165 -2.387 -0.218) 2.665 1.625 ( 4.441 0.376 0.458) 4.480 1.647 ( 2.114 -1.023 -0.893) 2.513 1.721 ( -1.754 -0.143 -1.456) 2.284 1.743 ( -3.173 -1.133 0.829) 3.469 1.812 ( -3.359 0.720 1.185) 3.634 1.830 ( 0.449 0.832 -0.951) 1.340 1.920 ( -1.915 0.892 -0.795) 2.257 1.934 ( -1.486 -0.674 -3.583) 3.937 1.955 ( 0.180 1.489 -0.718) 1.662 2.016 ( -0.623 -1.921 0.848) 2.191 2.089 ( -0.954 0.826 0.263) 1.289 2.117 ( -0.431 -2.215 -0.776) 2.386 2.181 ( 0.361 2.565 1.173) 2.844 2.208 ( -0.355 1.513 2.396) 2.856 2.234 ( 0.615 -0.453 0.641) 0.997 2.293 ( -2.165 -0.029 -0.086) 2.167 2.314 ( 2.624 -1.364 0.046) 2.958 2.346 ( 1.270 -1.229 -0.437) 1.820 2.376 ( 4.353 2.376 2.305) 5.469 2.398 ( 0.109 2.739 1.837) 3.300 2.428 ( 3.612 -1.735 1.602) 4.315 2.448 ( 3.116 0.118 1.261) 3.364 2.474 ( 2.391 -0.192 -2.016) 3.134 2.502 ( 2.248 2.118 -0.438) 3.120 2.547 ( -0.380 -0.591 -0.963) 1.193 2.591 ( -1.969 -0.509 1.764) 2.693 2.606 ( 2.944 0.880 -0.495) 3.112 2.656 ( 1.655 -0.160 -1.685) 2.367 2.710 ( 0.396 -1.925 -0.051) 1.966 2.745 ( -0.865 -3.096 -0.463) 3.248 2.837 ( -0.255 0.645 0.928) 1.158 2.857 ( -1.877 -0.776 1.993) 2.845 2.930 ( -0.133 2.228 -2.925) 3.679 2.965 ( -0.553 -0.753 -2.023) 2.228 3.004 ( 1.768 1.672 -2.629) 3.582 3.063 ( 0.565 -3.642 -0.928) 3.801 3.131 ( -4.248 2.375 0.667) 4.913 3.164 ( -4.955 -0.981 -3.330) 6.050 3.176 ( -0.768 2.856 1.872) 3.500 3.229 ( -1.522 1.490 1.817) 2.799 3.257 ( -2.758 -2.288 1.636) 3.939 3.265 ( -3.743 -0.571 2.518) 4.547 3.547 ( 3.488 1.984 0.538) 4.049 3.558 ( 1.214 2.116 -0.196) 2.447 3.582 ( 2.758 -2.107 0.217) 3.478 3.603 ( 1.731 -1.139 -0.264) 2.088 3.637 ( 0.699 1.927 0.462) 2.101 3.658 ( -1.400 2.718 -0.230) 3.066 3.681 ( 0.355 -2.032 0.187) 2.072 3.706 ( 1.074 -2.632 -0.523) 2.890 3.716 ( 0.506 3.059 -0.287) 3.114 3.735 ( 0.792 0.747 -0.498) 1.197 3.765 ( -0.180 -2.028 -0.298) 2.058 3.793 ( -2.592 -2.812 -0.595) 3.870 3.873 ( 1.600 0.836 0.923) 2.028 3.885 ( 0.483 -0.463 0.886) 1.110 3.923 ( 1.459 0.536 -0.463) 1.622 3.924 ( 0.101 0.104 0.552) 0.571 3.948 ( -2.399 0.257 0.430) 2.451 3.957 ( -1.472 -0.027 -1.120) 1.850 3.985 ( -1.982 -0.200 -0.059) 1.993 3.995 ( -1.758 -1.037 -0.267) 2.059 4.277 ( 4.631 2.744 0.594) 5.416 4.313 ( 5.483 3.128 -0.558) 6.337 4.330 ( 3.750 -2.131 0.445) 4.336 4.353 ( 4.577 -0.071 -0.328) 4.589 4.440 ( -2.839 2.042 -0.202) 3.502 4.456 ( -1.722 1.348 0.009) 2.187 4.471 ( -2.208 -0.478 -0.137) 2.263 4.487 ( -2.338 -0.563 0.335) 2.428 5.061 ( 0.722 1.854 1.007) 2.230 5.075 ( 1.730 1.987 -0.163) 2.639 5.140 ( -2.728 -2.491 -0.087) 3.695 5.156 ( -2.763 -2.659 -1.010) 3.966 5.608 ( -0.120 -0.676 0.489) 0.843 5.625 ( -1.044 -2.125 0.550) 2.431 5.633 ( 0.231 -0.795 -0.407) 0.923 5.639 ( -0.350 -1.384 -0.357) 1.471 6.097 ( 0.778 2.827 0.217) 2.940 6.128 ( 1.502 1.689 0.088) 2.262 6.143 ( -0.914 -1.337 -0.393) 1.667 6.161 ( -0.434 -1.315 -0.005) 1.384 6.384 ( 1.016 1.888 0.327) 2.169 6.413 ( 1.031 0.012 -0.696) 1.244 6.438 ( 0.732 -0.258 0.599) 0.981 6.458 ( 0.304 -1.302 -0.184) 1.350 6.923 ( -0.408 -0.253 -0.079) 0.486 6.924 ( -0.354 -0.381 -0.115) 0.533 6.931 ( -0.553 0.022 0.222) 0.596 6.938 ( -0.566 -0.661 0.009) 0.870 14.540 ( -0.688 0.181 0.066) 0.715 14.547 ( -0.941 -0.460 0.275) 1.083 14.589 ( -0.273 0.029 -0.319) 0.420 14.592 ( -0.637 -0.309 -0.009) 0.708 15.159 ( 0.195 1.181 0.230) 1.218 15.176 ( 0.071 -0.491 -0.171) 0.525 15.229 ( 0.877 1.127 0.271) 1.453 15.248 ( 1.159 -0.783 -0.460) 1.472 15.478 ( 0.898 2.135 0.046) 2.317 15.497 ( 0.659 2.132 -0.287) 2.250 15.503 ( 0.098 0.564 0.351) 0.672 15.531 ( -0.546 0.173 -0.242) 0.621 15.762 ( 0.527 0.754 0.211) 0.944 15.811 ( -0.936 -1.933 -0.874) 2.319 15.835 ( 0.781 -1.828 0.720) 2.114 15.875 ( -1.145 -3.852 -0.017) 4.019 16.049 ( 0.443 0.125 -0.131) 0.479 16.064 ( 0.080 -1.309 -0.336) 1.354 16.098 ( -0.094 -0.304 0.054) 0.322 16.103 ( 0.015 -0.752 0.138) 0.765 17.515 ( -0.337 1.206 0.360) 1.303 17.537 ( -0.522 -0.257 -0.565) 0.811 17.556 ( -0.517 -0.186 0.580) 0.799 17.578 ( -0.597 -1.702 -0.320) 1.831 17.995 ( 3.240 3.408 -0.737) 4.760 18.022 ( 1.996 1.229 0.504) 2.397 18.031 ( 0.288 1.281 0.670) 1.474 18.070 ( 2.868 -2.264 -0.116) 3.656 18.108 ( -2.833 3.693 1.504) 4.892 18.186 ( -3.654 -3.510 0.257) 5.074 18.225 ( -0.431 1.940 -0.924) 2.191 18.267 ( -0.939 -1.841 -1.642) 2.640 18.635 ( 0.235 2.692 -0.330) 2.723 18.684 ( 0.003 -2.188 -1.021) 2.414 18.732 ( -0.241 1.463 1.739) 2.285 18.760 ( 0.375 -1.121 -0.319) 1.224 18.905 ( 4.318 1.720 0.943) 4.743 18.918 ( 3.353 0.407 0.973) 3.515 19.079 ( -4.605 2.143 -0.629) 5.118 19.104 ( -4.382 -0.354 -0.574) 4.433 ======================= Grid point 53 (31/44) ======================= q-point: (-0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -3.846 5.784 0.468) 6.962 0.945 ( -3.355 4.846 1.822) 6.169 0.960 ( 1.914 0.536 -1.112) 2.278 1.087 ( -0.936 3.381 -0.186) 3.513 1.106 ( 1.080 -5.943 1.460) 6.214 1.128 ( 5.226 1.246 0.850) 5.440 1.175 ( 4.169 0.534 -1.705) 4.536 1.211 ( 2.260 -4.130 -2.205) 5.199 1.291 ( 1.142 4.652 0.834) 4.862 1.317 ( 0.584 3.113 0.115) 3.169 1.366 ( 0.587 -0.597 1.146) 1.420 1.387 ( 1.082 -3.428 -0.296) 3.607 1.518 ( -1.858 1.945 0.804) 2.808 1.551 ( -1.476 -1.389 0.278) 2.046 1.640 ( -0.100 -0.671 -2.410) 2.504 1.655 ( -1.028 -1.083 -0.838) 1.713 1.722 ( 1.070 1.249 1.564) 2.270 1.754 ( 3.933 -2.681 -1.851) 5.107 1.792 ( -0.676 2.486 1.293) 2.882 1.842 ( 0.530 0.401 -0.643) 0.925 1.876 ( -1.477 1.928 -0.672) 2.520 1.905 ( 1.866 0.915 -3.413) 3.996 1.977 ( 1.707 -1.683 1.476) 2.815 1.994 ( -0.965 -2.708 0.402) 2.903 2.063 ( -0.111 -0.412 -0.183) 0.464 2.093 ( -1.141 -2.176 -1.334) 2.796 2.188 ( -3.007 2.503 0.726) 3.979 2.217 ( 2.326 4.684 0.363) 5.242 2.240 ( -2.371 -1.010 2.957) 3.923 2.282 ( -0.666 -0.929 -1.950) 2.260 2.308 ( 0.837 -0.470 1.720) 1.970 2.316 ( -2.808 -0.152 1.440) 3.159 2.399 ( -0.697 -0.907 1.925) 2.240 2.421 ( -1.807 -2.583 -1.448) 3.469 2.442 ( -1.316 2.272 0.659) 2.708 2.478 ( -1.725 -0.780 -0.262) 1.912 2.511 ( -0.125 0.361 0.199) 0.431 2.539 ( -1.227 2.954 1.498) 3.532 2.566 ( 0.783 -2.659 1.089) 2.978 2.579 ( -0.066 -0.314 0.443) 0.547 2.652 ( 0.655 2.183 -2.301) 3.239 2.677 ( 2.231 1.520 -1.431) 3.056 2.706 ( 2.577 0.031 -0.786) 2.694 2.735 ( -0.130 -2.858 1.099) 3.065 2.816 ( -2.723 0.816 1.397) 3.167 2.841 ( 0.597 -1.780 0.834) 2.055 2.953 ( -0.845 2.284 -1.971) 3.133 2.965 ( 3.874 1.757 -2.922) 5.160 3.001 ( -3.002 -2.728 -2.370) 4.698 3.022 ( 1.448 -0.073 -1.768) 2.287 3.080 ( -1.609 0.697 1.781) 2.500 3.112 ( 2.508 -3.328 -1.302) 4.366 3.176 ( 0.221 4.099 1.687) 4.438 3.251 ( 0.860 -1.555 1.980) 2.661 3.278 ( 5.415 1.416 0.297) 5.605 3.295 ( 4.176 -1.005 1.708) 4.623 3.529 ( -3.310 2.072 0.128) 3.907 3.563 ( -1.317 -0.376 -0.218) 1.387 3.586 ( -2.886 -0.349 0.707) 2.992 3.621 ( -0.768 -1.466 0.656) 1.780 3.628 ( -2.089 2.441 -0.143) 3.216 3.662 ( 0.595 1.480 -0.342) 1.632 3.682 ( -1.689 -2.741 0.162) 3.224 3.694 ( 0.777 0.511 -0.718) 1.175 3.720 ( -0.581 1.773 -0.361) 1.901 3.728 ( -1.066 1.313 -0.551) 1.778 3.764 ( 1.631 -1.920 -0.189) 2.526 3.802 ( 2.472 -3.225 -0.537) 4.099 3.883 ( -1.586 0.833 1.247) 2.182 3.891 ( -1.033 -0.197 1.104) 1.525 3.904 ( -0.716 0.843 -0.352) 1.161 3.923 ( -0.728 -0.553 -0.018) 0.914 3.946 ( 1.338 0.555 -0.257) 1.471 3.962 ( 1.772 -0.729 -0.356) 1.949 3.984 ( 2.089 0.178 -0.466) 2.148 3.992 ( 2.284 -0.690 -0.040) 2.386 4.275 ( -5.550 2.772 0.580) 6.230 4.304 ( -4.892 1.788 -0.329) 5.219 4.333 ( -4.637 -0.465 0.121) 4.662 4.358 ( -3.869 -0.751 -0.214) 3.947 4.441 ( 2.005 1.344 -0.335) 2.437 4.448 ( 2.949 2.181 0.144) 3.671 4.474 ( 1.706 -0.412 -0.120) 1.759 4.489 ( 2.468 -0.465 0.312) 2.531 5.055 ( -2.100 2.030 0.567) 2.975 5.088 ( -0.477 1.354 0.538) 1.533 5.130 ( 1.620 -2.301 -0.590) 2.875 5.157 ( 4.020 -2.370 -0.769) 4.729 5.607 ( -0.508 -1.055 0.418) 1.243 5.619 ( 0.542 -2.089 0.329) 2.183 5.637 ( 0.413 -0.686 -0.277) 0.847 5.643 ( 0.724 -1.181 -0.196) 1.399 6.099 ( -1.271 2.449 0.321) 2.778 6.116 ( -0.830 1.573 -0.175) 1.787 6.153 ( 0.004 -1.076 -0.325) 1.124 6.159 ( 1.055 -1.105 0.087) 1.530 6.389 ( -0.828 1.657 0.529) 1.927 6.409 ( -0.981 0.770 -0.860) 1.515 6.439 ( -0.959 -0.664 0.589) 1.307 6.457 ( -0.284 -1.415 -0.211) 1.459 6.922 ( 0.388 -0.104 -0.066) 0.407 6.924 ( 0.442 -0.435 -0.093) 0.627 6.933 ( 0.526 -0.202 0.227) 0.608 6.937 ( 0.531 -0.562 -0.031) 0.774 14.542 ( 0.458 0.061 0.013) 0.462 14.546 ( 1.104 -0.343 0.333) 1.204 14.586 ( 0.113 0.277 -0.243) 0.385 14.594 ( 0.870 -0.558 -0.091) 1.038 15.161 ( -0.256 0.904 0.331) 0.996 15.171 ( -0.401 -0.096 -0.271) 0.493 15.232 ( -0.737 1.055 0.252) 1.312 15.252 ( -0.626 -0.811 -0.442) 1.116 15.482 ( -0.785 1.950 0.170) 2.109 15.489 ( -0.959 2.280 -0.245) 2.486 15.510 ( 0.220 0.655 0.274) 0.743 15.527 ( 0.354 -0.006 -0.328) 0.482 15.768 ( -0.353 0.657 0.284) 0.798 15.804 ( 0.786 -1.016 -0.727) 1.476 15.842 ( -0.574 -2.646 0.531) 2.759 15.871 ( 1.103 -3.748 -0.050) 3.907 16.056 ( 0.074 -0.252 0.013) 0.263 16.061 ( 0.055 -0.788 -0.525) 0.949 16.096 ( -0.225 -0.338 0.174) 0.442 16.103 ( -0.091 -0.935 0.058) 0.942 17.516 ( 0.176 1.166 0.400) 1.246 17.533 ( 0.391 0.033 -0.441) 0.590 17.562 ( 0.720 -0.485 0.442) 0.975 17.579 ( 0.828 -1.694 -0.347) 1.917 17.989 ( -3.067 3.192 -0.330) 4.439 18.024 ( -0.997 0.020 -0.188) 1.015 18.059 ( -2.105 2.399 1.193) 3.407 18.072 ( 1.013 1.804 0.036) 2.070 18.113 ( -1.299 -1.047 1.593) 2.307 18.155 ( 3.191 -2.491 -0.386) 4.067 18.220 ( 0.915 2.337 -1.076) 2.731 18.274 ( 2.340 -2.312 -1.376) 3.566 18.639 ( -0.025 1.677 0.375) 1.719 18.666 ( -1.074 -1.088 -1.389) 2.065 18.730 ( -0.518 1.656 1.277) 2.154 18.762 ( 0.048 -1.228 -0.100) 1.234 18.904 ( -4.657 2.752 0.884) 5.481 18.941 ( -3.225 -0.824 1.152) 3.523 19.075 ( 4.703 1.884 -0.658) 5.109 19.094 ( 4.620 0.089 -0.704) 4.674 ======================= Grid point 54 (32/44) ======================= q-point: (-0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -1.886 9.495 4.653) 10.741 0.913 ( 1.669 11.850 1.285) 12.036 1.004 ( 0.673 -5.490 1.406) 5.707 1.102 ( 3.227 3.248 -3.630) 5.843 1.153 ( 2.813 -4.071 -0.050) 4.949 1.200 ( 2.025 -0.717 -0.803) 2.293 1.231 ( 2.761 1.895 -3.954) 5.182 1.284 ( 2.297 0.031 -0.964) 2.491 1.307 ( 1.789 3.427 1.307) 4.081 1.319 ( 0.204 1.400 -2.227) 2.638 1.403 ( 2.168 0.317 2.876) 3.616 1.415 ( 1.301 -1.609 2.289) 3.086 1.516 ( -0.166 1.665 0.940) 1.920 1.539 ( 0.019 -0.675 0.702) 0.974 1.595 ( -2.396 2.045 -1.646) 3.555 1.666 ( 0.633 -3.351 -1.930) 3.918 1.734 ( -0.468 2.833 2.041) 3.523 1.778 ( 0.954 -1.645 -2.995) 3.548 1.800 ( -0.647 6.931 -0.921) 7.021 1.818 ( -1.718 2.147 1.283) 3.035 1.846 ( 1.005 -0.753 1.404) 1.884 1.935 ( 0.765 3.470 -0.928) 3.673 1.940 ( -2.435 -3.567 0.143) 4.321 2.041 ( -1.056 -4.344 -0.328) 4.483 2.063 ( -1.548 1.043 1.643) 2.487 2.099 ( -1.070 -0.744 2.625) 2.931 2.123 ( 0.866 -0.413 0.437) 1.054 2.161 ( -5.148 -0.433 3.024) 5.986 2.229 ( -0.623 1.692 0.104) 1.806 2.270 ( -0.072 0.267 -0.078) 0.288 2.308 ( -2.309 -0.974 -0.848) 2.645 2.347 ( -0.867 -0.389 -0.155) 0.963 2.353 ( 1.974 -0.198 0.123) 1.988 2.405 ( -0.795 -2.243 -1.024) 2.591 2.441 ( 1.400 1.519 -1.121) 2.350 2.465 ( 2.839 1.874 -1.260) 3.628 2.502 ( -0.615 2.261 0.676) 2.438 2.533 ( 3.542 -2.357 -1.074) 4.388 2.573 ( 0.597 -4.860 -1.161) 5.032 2.580 ( 0.563 -3.578 -0.380) 3.642 2.645 ( 0.395 1.256 -3.562) 3.798 2.675 ( -0.841 0.320 -2.192) 2.370 2.717 ( -0.252 -2.309 -1.391) 2.707 2.724 ( -1.809 -3.879 -0.823) 4.358 2.838 ( 0.903 0.004 2.517) 2.674 2.858 ( 0.323 -1.068 4.296) 4.439 2.906 ( -0.912 1.542 -1.171) 2.140 2.938 ( -2.361 -0.237 -0.603) 2.449 2.990 ( -0.952 0.030 -0.068) 0.955 3.033 ( -1.009 -2.712 0.154) 2.898 3.114 ( 3.492 3.162 -0.125) 4.713 3.169 ( 0.785 0.801 1.343) 1.750 3.188 ( -0.407 1.612 0.604) 1.768 3.283 ( 0.466 -3.321 0.660) 3.417 3.374 ( 1.618 0.729 0.445) 1.830 3.383 ( 2.199 -0.408 0.675) 2.336 3.496 ( -2.265 1.426 -0.547) 2.732 3.518 ( 2.520 -0.468 -0.124) 2.566 3.557 ( 0.372 1.974 -0.698) 2.127 3.582 ( -0.201 0.111 -0.105) 0.252 3.619 ( 0.290 0.607 1.091) 1.282 3.650 ( 0.346 -1.625 0.706) 1.805 3.669 ( -0.044 -0.025 -0.680) 0.682 3.685 ( -0.317 -1.160 -0.805) 1.448 3.710 ( -0.332 4.265 -0.291) 4.288 3.741 ( 1.541 3.071 0.338) 3.452 3.793 ( -0.053 -2.383 0.028) 2.384 3.811 ( -0.415 -1.869 0.348) 1.946 3.862 ( -0.975 0.246 0.503) 1.124 3.875 ( -1.486 -0.617 0.434) 1.667 3.887 ( -0.167 0.029 -0.591) 0.615 3.909 ( -0.479 -1.259 -0.628) 1.486 3.993 ( 2.978 1.945 0.021) 3.556 4.007 ( 1.383 1.208 0.891) 2.041 4.026 ( 2.006 0.349 -0.530) 2.104 4.043 ( 2.406 -0.799 -0.143) 2.539 4.139 ( -6.554 2.785 0.764) 7.162 4.190 ( -5.364 0.990 -0.091) 5.456 4.210 ( -6.231 -1.065 -0.233) 6.325 4.245 ( -6.230 -1.445 0.051) 6.396 4.485 ( 1.730 0.902 -0.074) 1.953 4.499 ( 1.572 1.221 0.131) 1.995 4.503 ( 1.027 -0.495 -0.058) 1.141 4.523 ( 0.656 -0.617 0.017) 0.901 5.028 ( -0.648 6.344 0.695) 6.414 5.086 ( 0.235 7.081 -0.678) 7.117 5.176 ( 2.183 -7.817 0.768) 8.153 5.235 ( 3.391 -7.171 -0.848) 7.978 5.607 ( 0.295 0.630 0.378) 0.792 5.638 ( 0.960 -1.832 0.418) 2.111 5.645 ( 0.349 -0.219 -0.482) 0.634 5.655 ( 0.426 -0.806 -0.107) 0.918 6.065 ( -1.475 4.912 0.227) 5.134 6.104 ( -0.561 4.204 0.084) 4.242 6.148 ( -0.150 -2.434 -0.200) 2.447 6.176 ( 0.457 -2.231 -0.047) 2.278 6.366 ( -1.272 0.570 0.362) 1.440 6.378 ( -1.165 0.184 -0.819) 1.436 6.416 ( -1.267 -0.669 0.560) 1.538 6.441 ( -1.091 -2.291 -0.147) 2.542 6.934 ( 0.700 -0.000 -0.094) 0.706 6.937 ( 0.697 -0.273 -0.115) 0.758 6.948 ( 0.668 0.026 0.160) 0.688 6.953 ( 0.690 -0.416 0.088) 0.811 14.564 ( 1.489 0.810 -0.043) 1.696 14.581 ( 1.773 -0.820 0.358) 1.986 14.591 ( 0.432 1.071 -0.254) 1.182 14.615 ( 0.975 -1.203 -0.111) 1.552 15.155 ( -0.288 0.762 0.319) 0.875 15.160 ( -0.475 0.361 -0.080) 0.602 15.208 ( -1.446 0.997 -0.046) 1.757 15.220 ( -1.938 -0.094 -0.433) 1.988 15.462 ( -0.864 2.389 -0.073) 2.542 15.475 ( -0.256 1.864 0.122) 1.886 15.511 ( -0.148 -1.876 -0.211) 1.894 15.525 ( -0.490 -2.421 0.104) 2.473 15.767 ( 0.446 3.484 -0.239) 3.521 15.807 ( -0.378 3.375 0.178) 3.400 15.848 ( 0.805 -4.033 -0.017) 4.113 15.890 ( 0.565 -4.498 -0.078) 4.534 16.052 ( -0.029 -0.802 -0.493) 0.942 16.061 ( -0.006 -1.638 -0.357) 1.677 16.093 ( -0.196 -0.380 0.291) 0.517 16.101 ( -0.104 -1.267 0.208) 1.288 17.526 ( 0.432 1.573 0.485) 1.701 17.546 ( 1.117 0.073 -0.515) 1.232 17.585 ( 1.065 -0.578 0.201) 1.228 17.600 ( 1.260 -1.722 -0.391) 2.170 17.928 ( -2.440 3.332 0.138) 4.132 17.979 ( -2.284 -0.993 -0.886) 2.643 18.012 ( -2.294 0.714 0.608) 2.478 18.041 ( -2.483 -1.392 0.235) 2.856 18.150 ( 2.220 4.291 1.026) 4.940 18.219 ( 2.713 0.704 -1.290) 3.086 18.251 ( 2.016 0.252 0.355) 2.062 18.317 ( 2.063 -3.231 -0.896) 3.936 18.630 ( -0.921 0.818 -0.021) 1.232 18.641 ( -0.517 -0.270 0.539) 0.795 18.725 ( -1.049 2.022 0.994) 2.485 18.759 ( -0.504 -1.095 0.372) 1.261 18.822 ( -2.928 3.277 -0.101) 4.396 18.876 ( -2.265 -1.836 -0.569) 2.971 19.173 ( 4.034 1.705 0.154) 4.382 19.194 ( 4.375 -0.345 0.041) 4.389 ======================= Grid point 70 (33/44) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 1.331 0.000 -10.408) 10.493 0.458 ( -1.331 0.000 10.408) 10.493 0.480 ( -0.696 0.000 -12.187) 12.207 0.480 ( 0.696 0.000 12.187) 12.207 1.034 ( 0.143 0.000 -8.166) 8.168 1.034 ( -0.143 0.000 8.166) 8.168 1.054 ( -0.295 0.000 -6.736) 6.743 1.054 ( 0.295 0.000 6.736) 6.743 1.329 ( 0.735 0.000 -0.778) 1.070 1.329 ( -0.735 0.000 0.778) 1.070 1.398 ( -0.154 0.000 -3.198) 3.202 1.398 ( 0.154 0.000 3.198) 3.202 1.465 ( 6.914 0.000 -3.499) 7.749 1.465 ( -6.914 0.000 3.499) 7.749 1.487 ( -0.909 0.000 -2.230) 2.408 1.487 ( 0.909 0.000 2.230) 2.408 1.623 ( -0.654 0.000 -1.230) 1.393 1.623 ( 0.654 0.000 1.230) 1.393 1.730 ( -3.132 0.000 -2.759) 4.174 1.730 ( 3.132 0.000 2.759) 4.174 1.902 ( -1.113 0.000 -1.578) 1.932 1.902 ( 1.113 0.000 1.578) 1.932 2.001 ( 2.714 0.000 -4.559) 5.306 2.001 ( -2.714 0.000 4.559) 5.306 2.073 ( -1.908 0.000 0.542) 1.983 2.073 ( 1.908 0.000 -0.542) 1.983 2.241 ( 0.925 0.000 -1.762) 1.990 2.241 ( -0.925 0.000 1.762) 1.990 2.311 ( -0.273 0.000 -2.355) 2.371 2.311 ( 0.273 0.000 2.355) 2.371 2.338 ( -0.711 0.000 -0.766) 1.045 2.338 ( 0.711 0.000 0.766) 1.045 2.440 ( -1.921 0.000 -3.608) 4.088 2.440 ( 1.921 0.000 3.608) 4.088 2.573 ( 2.792 0.000 -1.127) 3.011 2.573 ( -2.792 0.000 1.127) 3.011 2.640 ( 0.540 0.000 -3.156) 3.202 2.640 ( -0.540 0.000 3.156) 3.202 2.686 ( -2.480 0.000 0.575) 2.546 2.686 ( 2.480 0.000 -0.575) 2.546 2.710 ( -1.679 0.000 0.350) 1.715 2.710 ( 1.679 0.000 -0.350) 1.715 2.804 ( -5.597 0.000 1.373) 5.763 2.804 ( 5.597 0.000 -1.373) 5.763 2.910 ( -3.485 0.000 -1.478) 3.786 2.910 ( 3.485 0.000 1.478) 3.786 2.986 ( 0.979 0.000 -0.983) 1.388 2.986 ( -0.979 0.000 0.983) 1.388 3.053 ( -4.780 0.000 1.231) 4.936 3.053 ( 4.780 0.000 -1.231) 4.936 3.159 ( -0.317 0.000 -1.891) 1.918 3.159 ( 0.317 0.000 1.891) 1.918 3.291 ( -0.041 0.000 -0.088) 0.097 3.291 ( 0.041 0.000 0.088) 0.097 3.460 ( 0.622 0.000 -0.362) 0.720 3.460 ( -0.622 0.000 0.362) 0.720 3.476 ( -3.396 0.000 -3.566) 4.924 3.476 ( 3.396 0.000 3.566) 4.924 3.482 ( -2.119 0.000 -1.067) 2.372 3.482 ( 2.119 0.000 1.067) 2.372 3.599 ( -10.706 0.000 -0.113) 10.706 3.599 ( 10.706 0.000 0.113) 10.706 3.640 ( -2.358 0.000 -0.374) 2.387 3.640 ( 2.358 0.000 0.374) 2.387 3.702 ( -4.085 0.000 -0.706) 4.146 3.702 ( 4.085 0.000 0.706) 4.146 3.763 ( -0.648 0.000 0.123) 0.659 3.763 ( 0.648 0.000 -0.123) 0.659 3.782 ( -2.976 0.000 0.074) 2.977 3.782 ( 2.976 0.000 -0.074) 2.977 3.817 ( 1.278 0.000 -0.734) 1.473 3.817 ( -1.278 0.000 0.734) 1.473 3.983 ( 1.571 0.000 -1.147) 1.946 3.983 ( -1.571 0.000 1.147) 1.946 4.077 ( 0.628 0.000 -0.569) 0.848 4.077 ( -0.628 0.000 0.569) 0.848 4.189 ( -1.643 0.000 0.193) 1.655 4.189 ( 1.643 0.000 -0.193) 1.655 4.273 ( -1.057 0.000 -0.875) 1.373 4.273 ( 1.057 0.000 0.875) 1.373 4.352 ( -1.795 0.000 -1.123) 2.117 4.352 ( 1.795 0.000 1.123) 2.117 4.394 ( 0.881 0.000 -0.389) 0.963 4.394 ( -0.881 0.000 0.389) 0.963 4.946 ( -0.223 0.000 -0.450) 0.502 4.946 ( 0.223 0.000 0.450) 0.502 5.579 ( -6.625 0.000 -0.058) 6.626 5.579 ( 6.625 0.000 0.058) 6.626 5.610 ( -5.991 0.000 -0.399) 6.004 5.610 ( 5.991 0.000 0.399) 6.004 5.667 ( -1.081 0.000 -0.249) 1.109 5.667 ( 1.081 0.000 0.249) 1.109 5.807 ( 0.403 0.000 -1.705) 1.752 5.807 ( -0.403 0.000 1.705) 1.752 6.194 ( -0.767 0.000 0.152) 0.782 6.194 ( 0.767 0.000 -0.152) 0.782 6.396 ( 1.502 0.000 -1.081) 1.851 6.396 ( -1.502 0.000 1.081) 1.851 6.509 ( 0.990 0.000 -0.793) 1.269 6.509 ( -0.990 0.000 0.793) 1.269 6.931 ( 0.178 0.000 -0.192) 0.262 6.931 ( -0.178 0.000 0.192) 0.262 6.973 ( 0.375 0.000 -0.236) 0.443 6.973 ( -0.375 0.000 0.236) 0.443 14.550 ( -0.334 0.000 0.045) 0.337 14.550 ( 0.334 0.000 -0.045) 0.337 14.659 ( -0.389 0.000 -0.445) 0.592 14.659 ( 0.389 0.000 0.445) 0.592 15.081 ( 0.849 0.000 -0.361) 0.923 15.081 ( -0.849 0.000 0.361) 0.923 15.151 ( 0.667 0.000 -0.430) 0.794 15.151 ( -0.667 0.000 0.430) 0.794 15.422 ( 0.145 0.000 -0.362) 0.391 15.422 ( -0.145 0.000 0.362) 0.391 15.640 ( -5.848 0.000 0.619) 5.881 15.640 ( 5.848 0.000 -0.619) 5.881 15.661 ( -6.624 0.000 -0.391) 6.636 15.661 ( 6.624 0.000 0.391) 6.636 15.970 ( -0.024 0.000 -2.277) 2.277 15.970 ( 0.024 0.000 2.277) 2.277 16.202 ( 0.182 0.000 -0.958) 0.975 16.202 ( -0.182 0.000 0.958) 0.975 16.237 ( 0.285 0.000 -2.007) 2.027 16.237 ( -0.285 0.000 2.007) 2.027 17.429 ( 0.070 0.000 -0.084) 0.109 17.429 ( -0.070 0.000 0.084) 0.109 17.662 ( 0.898 0.000 -0.748) 1.169 17.662 ( -0.898 0.000 0.748) 1.169 17.831 ( -0.144 0.000 -1.431) 1.438 17.831 ( 0.144 0.000 1.431) 1.438 17.971 ( 1.807 0.000 -1.068) 2.099 17.971 ( -1.807 0.000 1.068) 2.099 18.087 ( -0.363 0.000 -0.479) 0.601 18.087 ( 0.363 0.000 0.479) 0.601 18.339 ( -0.146 0.000 -1.022) 1.033 18.339 ( 0.146 0.000 1.022) 1.033 18.578 ( 1.372 0.000 -0.542) 1.476 18.578 ( -1.372 0.000 0.542) 1.476 18.705 ( -0.369 0.000 -1.692) 1.732 18.705 ( 0.369 0.000 1.692) 1.732 18.877 ( -0.280 0.000 -0.904) 0.946 18.877 ( 0.280 0.000 0.904) 0.946 19.153 ( -0.770 0.000 -1.444) 1.637 19.153 ( 0.770 0.000 1.444) 1.637 ======================= Grid point 72 (34/44) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 10.461 0.000 -8.251) 13.323 0.536 ( 9.994 0.000 -3.780) 10.685 0.662 ( 11.755 0.000 4.267) 12.506 0.762 ( 14.635 0.000 10.054) 17.756 1.049 ( -0.129 0.000 1.626) 1.631 1.060 ( 10.153 0.000 -13.420) 16.828 1.078 ( -1.182 0.000 3.293) 3.499 1.131 ( 1.156 0.000 5.294) 5.419 1.259 ( -2.549 0.000 -1.594) 3.006 1.279 ( -3.024 0.000 -0.182) 3.030 1.367 ( -2.237 0.000 0.418) 2.276 1.427 ( -0.404 0.000 -3.347) 3.371 1.463 ( 5.078 0.000 -3.028) 5.912 1.481 ( 2.913 0.000 1.642) 3.344 1.554 ( 4.513 0.000 -5.059) 6.779 1.564 ( 5.029 0.000 5.175) 7.217 1.655 ( -2.302 0.000 -2.813) 3.635 1.663 ( 0.761 0.000 -0.729) 1.054 1.720 ( 9.032 0.000 1.605) 9.173 1.802 ( 3.020 0.000 0.442) 3.052 1.834 ( -3.816 0.000 2.137) 4.374 1.911 ( -0.445 0.000 1.221) 1.299 1.972 ( -2.073 0.000 -2.275) 3.078 1.988 ( -1.384 0.000 6.724) 6.865 2.045 ( -2.271 0.000 -1.025) 2.492 2.081 ( -0.555 0.000 -4.345) 4.381 2.220 ( -4.910 0.000 0.483) 4.933 2.253 ( 0.047 0.000 2.470) 2.471 2.277 ( -3.040 0.000 0.999) 3.200 2.298 ( 3.081 0.000 1.602) 3.473 2.328 ( 0.537 0.000 0.552) 0.770 2.383 ( -1.526 0.000 -1.417) 2.082 2.411 ( -2.134 0.000 4.429) 4.916 2.413 ( -0.911 0.000 -1.152) 1.469 2.492 ( -1.309 0.000 -2.545) 2.862 2.527 ( -1.686 0.000 0.339) 1.720 2.595 ( -7.792 0.000 3.486) 8.537 2.598 ( -3.967 0.000 -4.806) 6.232 2.651 ( -3.943 0.000 -0.138) 3.945 2.653 ( -2.489 0.000 -0.606) 2.561 2.719 ( 0.250 0.000 1.487) 1.508 2.722 ( -2.416 0.000 1.071) 2.643 2.776 ( 1.284 0.000 1.837) 2.241 2.787 ( -2.791 0.000 -1.580) 3.208 2.860 ( -1.138 0.000 -0.147) 1.147 2.925 ( -5.180 0.000 -0.016) 5.180 2.955 ( -0.478 0.000 -3.085) 3.122 3.002 ( -0.017 0.000 0.580) 0.580 3.071 ( 3.627 0.000 3.601) 5.111 3.078 ( -2.213 0.000 -1.555) 2.705 3.107 ( -3.899 0.000 -3.545) 5.270 3.136 ( 1.779 0.000 -1.620) 2.407 3.284 ( -3.301 0.000 2.161) 3.945 3.296 ( -3.214 0.000 -1.081) 3.391 3.342 ( -3.493 0.000 3.285) 4.795 3.346 ( -2.329 0.000 -2.375) 3.326 3.419 ( -4.050 0.000 1.001) 4.172 3.419 ( 0.030 0.000 -1.283) 1.283 3.486 ( -9.741 0.000 -1.498) 9.856 3.493 ( -2.508 0.000 1.788) 3.080 3.593 ( 5.460 0.000 -1.396) 5.636 3.632 ( 5.215 0.000 1.232) 5.358 3.696 ( 5.750 0.000 0.673) 5.789 3.725 ( 2.723 0.000 0.784) 2.833 3.742 ( 1.990 0.000 -0.015) 1.990 3.746 ( 1.539 0.000 -0.367) 1.582 3.754 ( 1.567 0.000 -0.027) 1.567 3.794 ( 2.712 0.000 0.572) 2.771 3.825 ( 4.470 0.000 -1.014) 4.584 3.831 ( 2.553 0.000 0.463) 2.595 3.838 ( 1.715 0.000 0.631) 1.827 3.883 ( 3.233 0.000 -0.211) 3.240 3.976 ( 0.174 0.000 0.896) 0.913 4.008 ( 1.696 0.000 -1.677) 2.385 4.056 ( -0.450 0.000 0.068) 0.455 4.064 ( -0.965 0.000 0.034) 0.965 4.165 ( -2.984 0.000 0.269) 2.996 4.182 ( -4.849 0.000 -0.493) 4.874 4.226 ( -4.857 0.000 -0.306) 4.867 4.252 ( -1.542 0.000 -0.993) 1.834 4.325 ( 2.079 0.000 1.108) 2.356 4.327 ( 3.320 0.000 0.042) 3.320 4.472 ( 3.538 0.000 -0.388) 3.559 4.472 ( 3.365 0.000 0.296) 3.378 4.970 ( 2.911 0.000 -0.305) 2.927 4.982 ( 3.014 0.000 0.346) 3.034 5.401 ( -8.695 0.000 0.110) 8.695 5.417 ( -9.232 0.000 0.163) 9.233 5.672 ( 1.126 0.000 -0.074) 1.128 5.682 ( 1.861 0.000 0.160) 1.868 5.760 ( 1.227 0.000 -1.024) 1.598 5.784 ( 7.569 0.000 1.253) 7.672 5.800 ( 1.267 0.000 0.278) 1.297 5.847 ( 7.788 0.000 -0.684) 7.818 6.186 ( -0.711 0.000 0.291) 0.768 6.221 ( 1.380 0.000 -0.253) 1.403 6.354 ( -2.888 0.000 0.987) 3.052 6.403 ( -0.130 0.000 -1.056) 1.064 6.493 ( -0.776 0.000 0.614) 0.989 6.520 ( 0.286 0.000 -0.136) 0.317 6.942 ( 0.789 0.000 -0.689) 1.048 6.946 ( 0.800 0.000 1.247) 1.481 6.965 ( -0.539 0.000 0.440) 0.696 6.973 ( -0.214 0.000 -0.516) 0.558 14.546 ( 0.029 0.000 0.100) 0.104 14.558 ( 0.554 0.000 -0.019) 0.554 14.630 ( -1.934 0.000 -0.414) 1.978 14.647 ( -1.609 0.000 0.319) 1.640 15.081 ( 0.675 0.000 0.599) 0.903 15.097 ( 0.945 0.000 -0.629) 1.135 15.181 ( 2.912 0.000 0.692) 2.993 15.192 ( 3.179 0.000 -0.752) 3.267 15.407 ( -1.417 0.000 0.049) 1.417 15.412 ( -0.900 0.000 -0.044) 0.901 15.525 ( -5.846 0.000 -0.614) 5.878 15.529 ( -5.255 0.000 0.844) 5.322 15.765 ( 6.169 0.000 0.280) 6.175 15.794 ( 6.003 0.000 -0.354) 6.013 15.979 ( 2.027 0.000 -1.582) 2.572 16.001 ( 1.441 0.000 1.872) 2.362 16.174 ( -2.400 0.000 -0.994) 2.598 16.183 ( -2.093 0.000 0.902) 2.279 16.194 ( -2.554 0.000 -1.547) 2.986 16.207 ( -3.334 0.000 1.685) 3.736 17.442 ( 1.068 0.000 -0.045) 1.069 17.442 ( 1.133 0.000 0.110) 1.138 17.671 ( 0.790 0.000 0.555) 0.965 17.704 ( 1.853 0.000 1.353) 2.294 17.824 ( 0.569 0.000 -1.091) 1.231 17.843 ( 0.194 0.000 1.148) 1.165 17.961 ( 0.300 0.000 1.521) 1.550 18.013 ( 2.982 0.000 -1.606) 3.387 18.084 ( 0.715 0.000 -0.537) 0.894 18.091 ( 0.074 0.000 -0.836) 0.840 18.295 ( -2.808 0.000 -1.247) 3.072 18.307 ( -3.212 0.000 0.439) 3.242 18.574 ( 0.033 0.000 2.507) 2.507 18.626 ( 3.234 0.000 -0.062) 3.235 18.709 ( 1.724 0.000 -2.079) 2.701 18.735 ( 1.191 0.000 0.816) 1.444 18.871 ( 0.562 0.000 -0.686) 0.887 18.881 ( -0.596 0.000 0.556) 0.815 19.046 ( -8.894 0.000 -4.741) 10.078 19.058 ( -6.495 0.000 1.999) 6.796 ======================= Grid point 73 (35/44) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 9.731 0.000 -3.453) 10.326 0.719 ( 9.209 0.000 -5.586) 10.771 0.886 ( 6.852 0.000 2.906) 7.443 0.972 ( -8.383 0.000 7.284) 11.106 1.001 ( -4.756 0.000 5.929) 7.601 1.045 ( 2.554 0.000 4.177) 4.896 1.123 ( 1.169 0.000 -3.474) 3.665 1.188 ( -0.513 0.000 -3.013) 3.056 1.302 ( 2.813 0.000 2.072) 3.494 1.312 ( 10.053 0.000 -4.521) 11.023 1.393 ( 1.688 0.000 -5.835) 6.074 1.394 ( 7.266 0.000 -4.347) 8.467 1.501 ( 0.072 0.000 0.216) 0.228 1.511 ( 0.780 0.000 -0.189) 0.802 1.572 ( -5.998 0.000 0.187) 6.001 1.587 ( -7.008 0.000 1.100) 7.094 1.673 ( 7.619 0.000 -3.007) 8.191 1.731 ( 4.198 0.000 1.685) 4.524 1.830 ( 1.015 0.000 4.151) 4.274 1.864 ( 2.362 0.000 -0.113) 2.365 1.883 ( 3.099 0.000 -0.692) 3.175 1.895 ( -1.350 0.000 -1.262) 1.848 1.944 ( 0.746 0.000 -1.192) 1.407 2.015 ( -2.967 0.000 -1.410) 3.285 2.040 ( 4.589 0.000 2.996) 5.480 2.041 ( 2.592 0.000 8.822) 9.195 2.149 ( -3.292 0.000 0.627) 3.351 2.169 ( -5.043 0.000 -2.737) 5.738 2.263 ( 0.338 0.000 2.080) 2.107 2.293 ( -1.792 0.000 1.569) 2.382 2.327 ( -4.405 0.000 -0.842) 4.485 2.345 ( -0.463 0.000 1.855) 1.911 2.379 ( -6.653 0.000 -3.384) 7.464 2.407 ( -6.557 0.000 -3.018) 7.219 2.439 ( 6.326 0.000 0.289) 6.333 2.496 ( 0.995 0.000 1.179) 1.543 2.520 ( 2.378 0.000 -0.935) 2.555 2.565 ( 0.272 0.000 -0.252) 0.371 2.600 ( -2.568 0.000 2.226) 3.399 2.603 ( -2.395 0.000 -1.049) 2.615 2.673 ( 0.803 0.000 -1.416) 1.628 2.679 ( -2.271 0.000 0.057) 2.272 2.769 ( -3.312 0.000 0.640) 3.373 2.779 ( -5.620 0.000 -2.196) 6.034 2.794 ( -0.480 0.000 1.144) 1.240 2.798 ( -3.112 0.000 0.826) 3.220 2.931 ( 0.970 0.000 -2.066) 2.282 2.950 ( -0.626 0.000 3.708) 3.760 3.019 ( -2.492 0.000 -0.644) 2.574 3.087 ( -5.690 0.000 -2.039) 6.044 3.092 ( 3.097 0.000 -4.196) 5.215 3.126 ( -1.424 0.000 3.509) 3.787 3.237 ( -0.845 0.000 0.905) 1.238 3.250 ( -0.018 0.000 -1.532) 1.532 3.277 ( -2.853 0.000 0.981) 3.017 3.299 ( -2.193 0.000 -0.770) 2.324 3.395 ( 2.827 0.000 -1.209) 3.075 3.421 ( 0.423 0.000 2.237) 2.276 3.463 ( 1.390 0.000 -0.284) 1.418 3.473 ( -0.548 0.000 0.341) 0.645 3.664 ( 2.344 0.000 -0.575) 2.414 3.689 ( -0.207 0.000 0.602) 0.637 3.731 ( 1.560 0.000 0.180) 1.570 3.759 ( -0.176 0.000 -0.176) 0.249 3.779 ( 1.241 0.000 -0.604) 1.380 3.787 ( 2.174 0.000 0.183) 2.181 3.817 ( 0.652 0.000 0.441) 0.787 3.843 ( 2.645 0.000 -0.360) 2.669 3.873 ( 1.765 0.000 0.533) 1.844 3.885 ( 1.507 0.000 1.133) 1.885 3.925 ( 4.164 0.000 -0.732) 4.228 3.934 ( 1.883 0.000 -0.276) 1.904 3.967 ( -0.904 0.000 1.457) 1.715 4.003 ( -1.850 0.000 -2.089) 2.790 4.052 ( 0.150 0.000 0.223) 0.269 4.066 ( 0.891 0.000 0.680) 1.121 4.091 ( -2.545 0.000 -0.818) 2.673 4.107 ( -1.430 0.000 1.166) 1.845 4.135 ( -3.552 0.000 -0.789) 3.639 4.158 ( -4.618 0.000 -0.571) 4.653 4.424 ( 5.027 0.000 -0.108) 5.028 4.425 ( 4.939 0.000 0.227) 4.944 4.495 ( -1.440 0.000 0.173) 1.451 4.495 ( -1.248 0.000 -0.224) 1.268 5.061 ( 5.733 0.000 -0.058) 5.733 5.070 ( 5.179 0.000 -0.025) 5.179 5.236 ( -7.171 0.000 -0.048) 7.171 5.240 ( -7.885 0.000 0.282) 7.890 5.703 ( 1.652 0.000 0.368) 1.692 5.724 ( 2.154 0.000 -0.141) 2.159 5.740 ( -1.367 0.000 -0.730) 1.550 5.766 ( -1.868 0.000 0.243) 1.884 5.983 ( 7.879 0.000 1.034) 7.947 6.018 ( 7.422 0.000 -1.111) 7.505 6.147 ( -3.258 0.000 0.572) 3.308 6.190 ( -4.716 0.000 -0.166) 4.719 6.340 ( 1.544 0.000 0.108) 1.548 6.379 ( -1.722 0.000 -0.108) 1.725 6.495 ( 0.949 0.000 -0.589) 1.117 6.514 ( -1.002 0.000 0.618) 1.177 6.949 ( 0.380 0.000 -0.815) 0.900 6.952 ( -0.641 0.000 1.086) 1.260 6.963 ( -0.203 0.000 0.758) 0.785 6.963 ( -0.090 0.000 -0.628) 0.635 14.556 ( 0.938 0.000 0.235) 0.967 14.575 ( 1.279 0.000 -0.066) 1.280 14.587 ( -1.860 0.000 -0.308) 1.885 14.609 ( -2.010 0.000 0.152) 2.015 15.105 ( 0.805 0.000 0.809) 1.142 15.111 ( 0.668 0.000 -0.776) 1.024 15.249 ( 2.388 0.000 1.162) 2.656 15.252 ( 2.746 0.000 -1.265) 3.023 15.377 ( -0.903 0.000 -0.285) 0.946 15.390 ( -1.463 0.000 0.293) 1.492 15.430 ( -2.447 0.000 -0.140) 2.451 15.444 ( -3.167 0.000 0.400) 3.192 15.878 ( 3.731 0.000 1.164) 3.908 15.888 ( 3.330 0.000 -1.247) 3.556 16.022 ( 2.201 0.000 -0.306) 2.222 16.034 ( 0.641 0.000 0.404) 0.758 16.121 ( -1.247 0.000 -1.252) 1.767 16.127 ( -3.215 0.000 1.033) 3.377 16.142 ( -1.715 0.000 0.256) 1.734 16.154 ( -2.041 0.000 0.102) 2.043 17.462 ( 0.716 0.000 -0.077) 0.720 17.463 ( 0.582 0.000 0.135) 0.597 17.691 ( 0.835 0.000 0.631) 1.047 17.713 ( -0.892 0.000 -0.063) 0.894 17.840 ( 0.832 0.000 -0.105) 0.838 17.848 ( -0.189 0.000 0.474) 0.510 17.999 ( 1.614 0.000 2.950) 3.363 18.041 ( -0.041 0.000 -2.862) 2.862 18.099 ( 2.016 0.000 -1.568) 2.554 18.107 ( 0.605 0.000 1.727) 1.830 18.237 ( -1.770 0.000 -0.699) 1.904 18.243 ( -2.590 0.000 0.154) 2.595 18.614 ( 1.797 0.000 4.637) 4.973 18.673 ( 0.511 0.000 -2.968) 3.012 18.736 ( 1.699 0.000 -1.267) 2.119 18.746 ( -0.235 0.000 1.329) 1.350 18.852 ( -2.572 0.000 1.421) 2.938 18.859 ( -2.750 0.000 -7.086) 7.601 18.903 ( 2.252 0.000 -0.747) 2.373 18.960 ( -4.390 0.000 2.578) 5.091 ======================= Grid point 76 (36/44) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -1.135 9.089 -9.601) 13.270 0.577 ( 1.135 9.089 9.601) 13.270 0.619 ( -2.480 12.498 -7.710) 14.893 0.619 ( 2.480 12.498 7.710) 14.893 1.022 ( 1.425 0.414 -10.056) 10.165 1.022 ( -1.425 0.414 10.056) 10.165 1.128 ( -1.590 5.867 -4.240) 7.411 1.128 ( 1.590 5.867 4.240) 7.411 1.339 ( -0.432 1.547 -0.920) 1.851 1.339 ( 0.432 1.547 0.920) 1.851 1.436 ( -2.422 3.549 -1.139) 4.446 1.436 ( 2.422 3.549 1.139) 4.446 1.479 ( -5.563 0.079 -1.560) 5.778 1.479 ( 5.563 0.079 1.560) 5.778 1.512 ( -3.617 2.302 -1.309) 4.483 1.512 ( 3.617 2.302 1.309) 4.483 1.643 ( -3.369 1.839 -1.404) 4.087 1.643 ( 3.369 1.839 1.404) 4.087 1.766 ( 1.002 3.593 -2.943) 4.752 1.766 ( -1.002 3.593 2.943) 4.752 1.889 ( -2.425 -1.886 -2.936) 4.249 1.889 ( 2.425 -1.886 2.936) 4.249 1.979 ( -0.276 -1.402 -3.734) 3.998 1.979 ( 0.276 -1.402 3.734) 3.998 2.056 ( -0.233 -1.123 -1.541) 1.922 2.056 ( 0.233 -1.123 1.541) 1.922 2.193 ( -1.685 -3.559 -0.901) 4.040 2.193 ( 1.685 -3.559 0.901) 4.040 2.274 ( -0.927 -2.251 -1.329) 2.774 2.274 ( 0.927 -2.251 1.329) 2.774 2.342 ( 0.038 0.201 -1.100) 1.119 2.342 ( -0.038 0.201 1.100) 1.119 2.449 ( -0.774 0.144 -1.987) 2.137 2.449 ( 0.774 0.144 1.987) 2.137 2.530 ( 1.310 -3.392 -3.446) 5.010 2.530 ( -1.310 -3.392 3.446) 5.010 2.594 ( -0.491 -3.640 -1.765) 4.075 2.594 ( 0.491 -3.640 1.765) 4.075 2.667 ( -1.321 -1.211 0.092) 1.794 2.667 ( 1.321 -1.211 -0.092) 1.794 2.729 ( 0.340 0.795 -1.786) 1.985 2.729 ( -0.340 0.795 1.786) 1.985 2.819 ( -0.521 -1.457 -1.712) 2.308 2.819 ( 0.521 -1.457 1.712) 2.308 2.918 ( -2.709 0.611 -2.444) 3.699 2.918 ( 2.709 0.611 2.444) 3.699 2.948 ( -0.215 -2.033 -0.752) 2.178 2.948 ( 0.215 -2.033 0.752) 2.178 3.091 ( -1.066 2.387 -1.371) 2.952 3.091 ( 1.066 2.387 1.371) 2.952 3.156 ( -0.149 1.018 -1.840) 2.109 3.156 ( 0.149 1.018 1.840) 2.109 3.245 ( -1.268 -4.844 -0.966) 5.100 3.245 ( 1.268 -4.844 0.966) 5.100 3.401 ( -3.334 -3.997 -2.310) 5.695 3.401 ( 3.334 -3.997 2.310) 5.695 3.465 ( -2.011 -0.200 -1.615) 2.586 3.465 ( 2.011 -0.200 1.615) 2.586 3.532 ( -0.789 4.472 -2.742) 5.305 3.532 ( 0.789 4.472 2.742) 5.305 3.629 ( -0.481 0.298 -0.228) 0.610 3.629 ( 0.481 0.298 0.228) 0.610 3.669 ( -0.524 2.031 -0.924) 2.292 3.669 ( 0.524 2.031 0.924) 2.292 3.723 ( -1.114 1.646 -0.168) 1.995 3.723 ( 1.114 1.646 0.168) 1.995 3.760 ( -1.211 -1.113 -1.503) 2.228 3.760 ( 1.211 -1.113 1.503) 2.228 3.804 ( -1.290 3.162 -0.971) 3.551 3.804 ( 1.290 3.162 0.971) 3.551 3.859 ( 0.823 3.897 -0.780) 4.059 3.859 ( -0.823 3.897 0.780) 4.059 3.950 ( -1.967 -2.511 -0.176) 3.194 3.950 ( 1.967 -2.511 0.176) 3.194 4.059 ( -1.675 -1.253 -1.199) 2.411 4.059 ( 1.675 -1.253 1.199) 2.411 4.130 ( -1.293 -3.492 -1.323) 3.952 4.130 ( 1.293 -3.492 1.323) 3.952 4.247 ( 0.027 -2.172 -0.566) 2.245 4.247 ( -0.027 -2.172 0.566) 2.245 4.410 ( -1.513 4.255 -0.399) 4.534 4.410 ( 1.513 4.255 0.399) 4.534 4.454 ( -1.345 4.409 0.314) 4.620 4.454 ( 1.345 4.409 -0.314) 4.620 4.931 ( -0.120 -1.130 -0.570) 1.271 4.931 ( 0.120 -1.130 0.570) 1.271 5.536 ( -0.941 -4.588 -0.762) 4.745 5.536 ( 0.941 -4.588 0.762) 4.745 5.607 ( -0.654 0.023 -0.732) 0.982 5.607 ( 0.654 0.023 0.732) 0.982 5.676 ( -1.104 0.717 -0.479) 1.401 5.676 ( 1.104 0.717 0.479) 1.401 5.843 ( -0.706 3.639 -0.703) 3.773 5.843 ( 0.706 3.639 0.703) 3.773 6.195 ( -0.471 0.003 -0.219) 0.519 6.195 ( 0.471 0.003 0.219) 0.519 6.388 ( 1.390 -0.709 -0.977) 1.841 6.388 ( -1.390 -0.709 0.977) 1.841 6.498 ( 0.556 -1.181 -1.144) 1.736 6.498 ( -0.556 -1.181 1.144) 1.736 6.936 ( -0.461 0.334 -0.026) 0.570 6.936 ( 0.461 0.334 0.026) 0.570 6.970 ( 0.087 -0.235 -0.173) 0.304 6.970 ( -0.087 -0.235 0.173) 0.304 14.551 ( -0.365 0.288 -0.082) 0.472 14.551 ( 0.365 0.288 0.082) 0.472 14.652 ( -0.422 -0.595 -0.577) 0.930 14.652 ( 0.422 -0.595 0.577) 0.930 15.097 ( 0.787 1.525 -0.305) 1.743 15.097 ( -0.787 1.525 0.305) 1.743 15.156 ( 0.583 0.443 -0.449) 0.859 15.156 ( -0.583 0.443 0.449) 0.859 15.428 ( 0.407 0.466 -0.221) 0.657 15.428 ( -0.407 0.466 0.221) 0.657 15.625 ( -0.958 -1.755 0.094) 2.002 15.625 ( 0.958 -1.755 -0.094) 2.002 15.667 ( -3.311 1.069 -0.313) 3.494 15.667 ( 3.311 1.069 0.313) 3.494 15.962 ( -0.086 -0.863 -2.099) 2.271 15.962 ( 0.086 -0.863 2.099) 2.271 16.173 ( -0.077 -2.540 -1.016) 2.736 16.173 ( 0.077 -2.540 1.016) 2.736 16.200 ( 0.232 -3.307 -1.879) 3.811 16.200 ( -0.232 -3.307 1.879) 3.811 17.462 ( 0.074 2.686 -1.066) 2.891 17.462 ( -0.074 2.686 1.066) 2.891 17.659 ( -0.333 -0.573 -0.748) 0.999 17.659 ( 0.333 -0.573 0.748) 0.999 17.844 ( -0.318 1.208 -1.948) 2.314 17.844 ( 0.318 1.208 1.948) 2.314 17.997 ( -0.022 2.274 -0.920) 2.453 17.997 ( 0.022 2.274 0.920) 2.453 18.074 ( -0.096 -0.418 -0.754) 0.868 18.074 ( 0.096 -0.418 0.754) 0.868 18.362 ( -0.702 1.454 -0.982) 1.890 18.362 ( 0.702 1.454 0.982) 1.890 18.585 ( -0.131 0.891 -0.470) 1.016 18.585 ( 0.131 0.891 0.470) 1.016 18.712 ( -0.346 0.707 -1.936) 2.090 18.712 ( 0.346 0.707 1.936) 2.090 18.836 ( -0.203 -2.649 -2.106) 3.391 18.836 ( 0.203 -2.649 2.106) 3.391 19.188 ( -1.034 2.384 -2.250) 3.437 19.188 ( 1.034 2.384 2.250) 3.437 ======================= Grid point 78 (37/44) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 6.538 5.443 -7.973) 11.660 0.638 ( 5.769 6.941 3.098) 9.542 0.739 ( 9.437 6.090 -2.940) 11.610 0.854 ( 9.885 7.296 9.832) 15.735 1.029 ( -0.523 1.241 0.547) 1.453 1.082 ( 6.293 2.314 -3.668) 7.642 1.130 ( 3.698 2.397 -1.738) 4.738 1.161 ( -4.503 3.213 3.337) 6.460 1.307 ( -2.080 3.069 -3.779) 5.294 1.309 ( -0.332 3.077 2.581) 4.030 1.374 ( -0.638 1.652 -3.415) 3.847 1.415 ( 1.527 -0.954 0.180) 1.809 1.487 ( 0.003 -1.487 0.815) 1.696 1.501 ( 2.319 3.732 -3.768) 5.787 1.518 ( 0.876 1.547 1.833) 2.554 1.609 ( 1.387 1.793 -1.666) 2.813 1.673 ( 7.697 2.568 -2.161) 8.397 1.733 ( -3.751 1.096 -3.464) 5.222 1.768 ( 7.023 5.249 3.897) 9.595 1.787 ( 1.378 -1.184 -0.861) 2.011 1.843 ( 1.302 2.272 2.937) 3.935 1.903 ( -1.912 -1.750 1.625) 3.059 1.959 ( 0.622 -0.200 -2.205) 2.300 2.006 ( -0.065 0.999 5.727) 5.814 2.053 ( -2.062 -0.590 0.089) 2.147 2.057 ( 0.597 -0.512 -3.203) 3.298 2.139 ( -1.249 -4.795 -0.260) 4.962 2.209 ( -2.326 -2.470 1.553) 3.731 2.278 ( -0.943 -0.333 2.081) 2.309 2.300 ( 1.628 -1.304 -1.017) 2.320 2.336 ( 1.434 0.150 1.023) 1.768 2.351 ( -2.353 -1.949 0.108) 3.057 2.401 ( -1.516 -0.536 0.004) 1.608 2.408 ( -3.542 -0.448 -0.049) 3.571 2.472 ( -4.522 -4.529 0.586) 6.427 2.486 ( 0.125 -0.217 1.295) 1.319 2.543 ( -2.728 -1.937 -0.730) 3.425 2.589 ( -2.163 -3.802 1.015) 4.491 2.621 ( -2.843 -0.520 1.420) 3.220 2.688 ( -4.812 1.339 -1.808) 5.312 2.706 ( 0.944 -0.990 0.221) 1.385 2.741 ( -2.350 -2.628 0.656) 3.586 2.773 ( 1.082 1.093 1.400) 2.080 2.827 ( -5.539 3.069 -1.235) 6.451 2.847 ( -0.474 -1.742 0.590) 1.899 2.916 ( -2.953 -0.669 -2.967) 4.239 2.932 ( -0.387 -1.922 -2.358) 3.066 2.989 ( 1.280 -1.378 1.697) 2.533 3.067 ( -6.837 -0.631 0.033) 6.866 3.078 ( -1.299 -0.592 -2.755) 3.103 3.122 ( 1.412 -0.797 -1.226) 2.032 3.162 ( 0.209 3.627 1.152) 3.811 3.181 ( -0.002 -3.129 -0.531) 3.173 3.272 ( -2.808 -1.368 0.327) 3.141 3.356 ( 0.890 -1.903 1.448) 2.552 3.371 ( -1.903 0.759 1.019) 2.288 3.440 ( -6.106 1.925 0.891) 6.464 3.478 ( -1.719 1.809 -0.736) 2.602 3.497 ( -2.009 1.570 0.263) 2.563 3.515 ( -3.673 3.322 -1.112) 5.076 3.592 ( 1.419 1.117 -1.195) 2.166 3.595 ( 2.842 -0.976 0.808) 3.111 3.689 ( 5.546 -0.923 1.271) 5.764 3.708 ( 2.318 -1.858 -0.381) 2.995 3.756 ( 1.901 0.735 -0.301) 2.061 3.764 ( 0.134 -0.488 0.227) 0.555 3.779 ( 3.151 0.080 -0.255) 3.162 3.788 ( 1.098 0.073 -0.066) 1.103 3.823 ( 0.457 1.599 0.903) 1.892 3.850 ( 1.574 2.737 0.323) 3.174 3.876 ( 2.595 2.404 -0.087) 3.538 3.917 ( 2.782 2.368 -0.358) 3.671 3.962 ( 1.376 -1.008 0.859) 1.910 3.991 ( 2.491 -0.948 -0.432) 2.700 4.026 ( -0.863 -1.478 -1.347) 2.178 4.078 ( -1.027 0.201 -0.048) 1.047 4.126 ( 0.914 -3.685 -0.254) 3.805 4.153 ( -0.611 -1.839 -0.007) 1.938 4.205 ( -1.042 1.563 0.331) 1.908 4.251 ( -0.129 -1.192 -0.370) 1.255 4.387 ( 0.170 5.633 -0.249) 5.641 4.409 ( -0.896 5.220 0.316) 5.306 4.468 ( 1.723 -0.063 0.284) 1.747 4.487 ( 1.426 0.969 -0.327) 1.755 4.959 ( 3.166 -0.938 -0.164) 3.306 4.969 ( 3.237 -0.927 0.316) 3.382 5.388 ( -8.468 -1.524 0.126) 8.605 5.405 ( -8.656 -1.569 -0.187) 8.800 5.665 ( 1.891 -1.531 0.412) 2.468 5.668 ( 1.237 -0.856 -0.237) 1.523 5.706 ( 2.843 -2.752 -0.540) 3.993 5.738 ( 2.360 -2.843 0.515) 3.731 5.861 ( 4.396 4.446 -0.169) 6.254 5.909 ( 5.668 4.329 -0.135) 7.134 6.185 ( -0.666 -0.132 0.126) 0.690 6.217 ( 0.971 -0.365 -0.181) 1.053 6.352 ( -2.275 -0.149 0.856) 2.435 6.396 ( -0.095 -0.681 -0.995) 1.210 6.484 ( -0.561 -0.942 0.591) 1.246 6.509 ( 0.221 -1.073 -0.152) 1.106 6.937 ( 0.388 -0.152 -0.006) 0.417 6.950 ( 0.477 -0.067 0.361) 0.603 6.960 ( -0.622 -0.422 0.237) 0.788 6.970 ( -0.271 -0.245 -0.258) 0.447 14.543 ( -0.252 -0.023 -0.052) 0.258 14.560 ( 0.529 0.201 0.197) 0.599 14.622 ( -1.941 -0.612 -0.542) 2.106 14.644 ( -1.426 -0.403 0.402) 1.535 15.095 ( 0.479 1.284 0.489) 1.455 15.112 ( 0.881 1.371 -0.597) 1.736 15.187 ( 2.773 0.478 0.759) 2.914 15.194 ( 3.039 0.303 -0.677) 3.128 15.408 ( -1.415 0.381 0.146) 1.473 15.426 ( -0.394 0.989 -0.147) 1.075 15.529 ( -5.330 0.402 -0.190) 5.349 15.535 ( -4.729 0.665 0.385) 4.791 15.750 ( 5.572 -1.368 0.178) 5.740 15.782 ( 5.582 -0.934 -0.198) 5.663 15.966 ( 1.483 -1.342 -1.331) 2.402 15.990 ( 1.260 -1.105 1.590) 2.310 16.145 ( -1.823 -2.304 -0.742) 3.030 16.160 ( -2.206 -2.402 0.047) 3.261 16.172 ( -1.705 -2.198 -0.551) 2.836 16.181 ( -2.094 -2.297 1.265) 3.356 17.461 ( 0.522 2.047 -0.385) 2.148 17.469 ( 0.194 1.899 0.550) 1.987 17.651 ( 0.106 -1.579 0.233) 1.600 17.685 ( 0.293 -1.815 0.811) 2.009 17.839 ( 1.029 1.419 -0.921) 1.980 17.882 ( 1.476 2.821 2.198) 3.869 17.972 ( -0.609 1.371 0.555) 1.599 18.037 ( 2.082 2.119 -0.641) 3.039 18.070 ( 0.365 -0.786 -1.148) 1.439 18.091 ( 1.513 0.393 -0.173) 1.573 18.306 ( -3.488 0.972 -0.997) 3.755 18.337 ( -3.027 1.758 0.214) 3.507 18.576 ( 0.015 0.310 2.322) 2.343 18.638 ( 3.257 1.167 -0.635) 3.518 18.714 ( 1.471 0.563 -2.023) 2.564 18.744 ( 1.096 0.584 1.175) 1.709 18.818 ( 0.011 -3.039 -3.115) 4.353 18.860 ( 1.223 -1.095 1.797) 2.433 19.077 ( -7.542 3.455 -0.093) 8.296 19.137 ( -5.812 4.002 -0.612) 7.083 ======================= Grid point 79 (38/44) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 11.634 1.602 -3.985) 12.402 0.782 ( 7.027 4.535 -5.227) 9.862 0.924 ( 8.147 2.917 3.128) 9.202 0.966 ( -5.698 -0.882 5.678) 8.092 0.989 ( -9.558 0.901 2.947) 10.043 1.055 ( 1.363 1.817 5.183) 5.659 1.135 ( 0.670 1.243 -1.668) 2.185 1.205 ( -1.332 1.525 -3.290) 3.864 1.284 ( 5.201 0.342 -1.177) 5.343 1.347 ( 1.177 0.178 -0.039) 1.191 1.403 ( 3.614 0.080 -4.250) 5.579 1.433 ( -1.403 -4.932 1.784) 5.429 1.473 ( 2.034 4.528 -2.381) 5.505 1.541 ( 1.802 3.721 -0.898) 4.231 1.582 ( -4.047 1.278 -1.193) 4.409 1.611 ( -0.202 3.280 -0.856) 3.396 1.646 ( 7.583 -0.754 0.410) 7.632 1.789 ( -0.849 2.028 -1.345) 2.577 1.808 ( 3.084 -3.478 -2.295) 5.184 1.850 ( -1.818 0.500 1.929) 2.697 1.891 ( 1.115 -0.642 0.786) 1.508 1.908 ( 0.657 1.251 -0.955) 1.705 1.976 ( -0.414 2.060 1.629) 2.658 2.023 ( -2.170 0.943 0.071) 2.367 2.036 ( 4.535 0.979 4.036) 6.150 2.063 ( 1.524 0.661 2.772) 3.231 2.141 ( 1.011 0.732 0.959) 1.574 2.163 ( -3.375 -0.676 -3.171) 4.680 2.248 ( -0.396 -0.527 3.165) 3.233 2.275 ( -1.855 -2.910 -0.061) 3.451 2.302 ( 0.333 -0.125 2.605) 2.629 2.368 ( -3.968 0.902 -1.597) 4.371 2.387 ( -0.196 0.567 -1.806) 1.903 2.403 ( -0.974 -0.130 -0.909) 1.339 2.448 ( 3.342 1.027 0.543) 3.538 2.466 ( 1.544 -1.729 1.532) 2.779 2.515 ( -1.938 -2.077 1.111) 3.050 2.551 ( -1.674 -0.253 -1.413) 2.205 2.573 ( -1.316 -0.955 -0.684) 1.764 2.596 ( -3.624 -1.690 0.840) 4.086 2.655 ( -2.403 -0.570 -1.237) 2.762 2.686 ( -2.926 -2.091 -0.596) 3.645 2.769 ( 0.765 1.110 -0.705) 1.521 2.776 ( -2.805 -0.332 0.419) 2.855 2.789 ( -4.089 1.171 0.118) 4.255 2.832 ( -3.541 1.488 -0.060) 3.842 2.916 ( 3.338 -0.528 -0.668) 3.445 2.954 ( -1.533 -0.321 0.782) 1.750 2.999 ( -0.550 -1.592 2.683) 3.168 3.084 ( 1.561 -0.005 -4.218) 4.498 3.100 ( -3.601 0.691 -1.179) 3.851 3.139 ( -2.807 0.778 1.356) 3.212 3.192 ( 0.386 -1.931 -1.885) 2.726 3.226 ( -4.431 -2.669 0.392) 5.187 3.263 ( 1.816 -0.458 0.357) 1.907 3.333 ( -4.225 1.247 1.059) 4.530 3.441 ( 2.741 4.062 -0.630) 4.940 3.473 ( 3.019 2.264 2.655) 4.614 3.494 ( -1.507 4.726 -0.528) 4.989 3.510 ( 0.166 2.875 -0.791) 2.987 3.632 ( 2.880 -1.924 0.565) 3.509 3.661 ( 1.369 -1.834 -0.381) 2.320 3.718 ( 0.475 -2.349 -0.011) 2.396 3.744 ( -1.270 -0.727 -1.020) 1.783 3.774 ( 1.760 -0.281 0.318) 1.811 3.798 ( 2.449 -0.898 0.483) 2.653 3.806 ( -0.051 -1.253 -0.101) 1.259 3.840 ( 3.272 0.729 -0.068) 3.353 3.862 ( -0.850 -1.099 0.530) 1.487 3.883 ( 0.695 0.236 0.150) 0.749 3.907 ( 3.005 -0.294 -0.154) 3.024 3.951 ( 0.036 -1.272 -0.497) 1.366 3.956 ( -0.038 0.537 0.979) 1.117 3.994 ( -2.785 -0.995 -1.334) 3.244 4.013 ( -0.080 -2.115 0.393) 2.152 4.044 ( -1.732 -1.790 -0.125) 2.494 4.135 ( 1.539 4.457 0.229) 4.721 4.152 ( 1.208 3.209 -0.457) 3.459 4.200 ( -1.098 5.501 0.301) 5.617 4.218 ( -2.484 4.606 -0.377) 5.246 4.429 ( 3.249 0.545 -0.091) 3.296 4.435 ( 3.057 1.016 0.180) 3.226 4.478 ( -1.135 -1.317 0.150) 1.745 4.489 ( -1.387 -0.758 -0.200) 1.593 5.054 ( 5.721 -0.773 0.254) 5.779 5.061 ( 5.457 -0.645 -0.128) 5.496 5.223 ( -7.273 -1.202 -0.144) 7.373 5.231 ( -7.824 -0.966 0.095) 7.884 5.692 ( 1.238 -1.124 0.254) 1.691 5.707 ( 1.918 -1.779 0.138) 2.620 5.715 ( -0.619 -2.109 -0.679) 2.301 5.741 ( -1.259 -2.356 0.141) 2.675 5.999 ( 6.798 1.648 0.792) 7.040 6.036 ( 5.562 1.659 -1.008) 5.891 6.152 ( -2.503 0.439 0.515) 2.593 6.188 ( -3.861 -0.139 -0.157) 3.867 6.343 ( 1.310 0.427 0.146) 1.385 6.376 ( -1.373 -0.154 -0.191) 1.395 6.487 ( 0.725 -0.744 -0.319) 1.086 6.503 ( -0.810 -0.995 0.358) 1.332 6.942 ( 0.170 -0.565 -0.206) 0.625 6.948 ( -0.625 -0.524 0.294) 0.867 6.955 ( 0.060 -0.496 0.334) 0.601 6.962 ( -0.331 -0.333 -0.155) 0.495 14.548 ( 0.799 -0.536 0.140) 0.972 14.577 ( -0.888 -0.532 0.409) 1.114 14.580 ( 0.198 -0.044 -0.751) 0.777 14.610 ( -1.837 -0.070 0.198) 1.849 15.115 ( 0.827 0.979 0.664) 1.444 15.124 ( 0.453 1.157 -0.685) 1.418 15.247 ( 1.836 -0.202 1.236) 2.222 15.249 ( 2.328 -0.218 -1.226) 2.640 15.388 ( 0.031 1.353 0.065) 1.355 15.418 ( -0.700 2.253 -0.063) 2.360 15.436 ( -2.722 0.762 -0.167) 2.831 15.457 ( -3.064 1.311 0.370) 3.353 15.853 ( 3.704 -2.320 0.650) 4.418 15.870 ( 2.739 -1.752 -0.725) 3.332 15.994 ( 1.398 -2.675 0.005) 3.018 16.015 ( 0.142 -1.995 0.080) 2.002 16.100 ( -1.919 -1.930 0.423) 2.754 16.109 ( -1.754 -1.206 -0.602) 2.213 16.136 ( -0.821 -0.718 0.121) 1.097 16.149 ( -1.516 -0.747 0.228) 1.706 17.474 ( 0.698 1.206 -0.336) 1.434 17.477 ( 0.196 1.187 0.376) 1.261 17.658 ( 0.536 -2.739 -0.001) 2.791 17.675 ( -1.199 -2.942 0.428) 3.205 17.867 ( 1.844 2.453 -0.640) 3.135 17.896 ( -1.181 3.777 1.026) 4.088 17.995 ( 1.577 -0.147 2.253) 2.754 18.037 ( -0.974 0.204 -1.988) 2.223 18.101 ( 2.538 0.418 -0.019) 2.572 18.127 ( 1.099 1.520 -0.238) 1.890 18.241 ( -1.498 0.545 -0.183) 1.604 18.269 ( -3.179 1.458 -0.194) 3.503 18.613 ( 1.460 0.006 4.503) 4.734 18.667 ( -0.101 -0.402 -4.019) 4.041 18.739 ( 1.743 0.403 -0.896) 2.001 18.757 ( -0.446 0.308 1.023) 1.157 18.816 ( 2.727 0.125 -2.594) 3.766 18.891 ( -2.455 1.418 1.090) 3.037 18.947 ( -0.940 3.864 0.074) 3.977 19.017 ( -4.962 3.852 -0.519) 6.303 ======================= Grid point 82 (39/44) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -0.059 11.159 -5.930) 12.637 0.789 ( 0.059 11.159 5.930) 12.637 0.849 ( -2.860 10.078 -7.608) 12.947 0.849 ( 2.860 10.078 7.608) 12.947 1.076 ( -0.362 4.809 -3.657) 6.052 1.076 ( 0.362 4.809 3.657) 6.052 1.223 ( -2.857 2.322 -1.413) 3.943 1.223 ( 2.857 2.322 1.413) 3.943 1.412 ( -0.395 5.013 -2.470) 5.602 1.412 ( 0.395 5.013 2.470) 5.602 1.444 ( -1.228 -1.796 -3.464) 4.090 1.444 ( 1.228 -1.796 3.464) 4.090 1.508 ( 1.519 1.155 -1.766) 2.600 1.508 ( -1.519 1.155 1.766) 2.600 1.571 ( 1.327 2.971 -4.816) 5.812 1.571 ( -1.327 2.971 4.816) 5.812 1.699 ( -2.986 4.756 -3.098) 6.414 1.699 ( 2.986 4.756 3.098) 6.414 1.800 ( -1.318 -1.501 -5.362) 5.723 1.800 ( 1.318 -1.501 5.362) 5.723 1.851 ( -1.311 -0.338 -0.972) 1.667 1.851 ( 1.311 -0.338 0.972) 1.667 1.987 ( 0.866 1.804 -1.965) 2.804 1.987 ( -0.866 1.804 1.965) 2.804 2.042 ( -1.043 0.236 -2.499) 2.718 2.042 ( 1.043 0.236 2.499) 2.718 2.153 ( 0.581 -0.520 -2.352) 2.478 2.153 ( -0.581 -0.520 2.352) 2.478 2.235 ( -1.096 -1.617 -1.897) 2.723 2.235 ( 1.096 -1.617 1.897) 2.723 2.331 ( 0.397 -1.235 -2.022) 2.402 2.331 ( -0.397 -1.235 2.022) 2.402 2.438 ( 1.183 -1.536 -1.024) 2.193 2.438 ( -1.183 -1.536 1.024) 2.193 2.471 ( 2.091 -1.606 -1.558) 3.062 2.471 ( -2.091 -1.606 1.558) 3.062 2.530 ( -1.479 -2.310 0.095) 2.744 2.530 ( 1.479 -2.310 -0.095) 2.744 2.636 ( -1.181 -2.891 0.084) 3.124 2.636 ( 1.181 -2.891 -0.084) 3.124 2.694 ( -1.554 -4.374 -1.310) 4.823 2.694 ( 1.554 -4.374 1.310) 4.823 2.759 ( 1.106 -3.384 -2.758) 4.504 2.759 ( -1.106 -3.384 2.758) 4.504 2.879 ( -0.266 -1.915 -0.350) 1.965 2.879 ( 0.266 -1.915 0.350) 1.965 2.945 ( -0.327 -0.471 -1.465) 1.574 2.945 ( 0.327 -0.471 1.465) 1.574 3.098 ( -0.687 -4.752 -2.783) 5.550 3.098 ( 0.687 -4.752 2.783) 5.550 3.134 ( 0.505 0.652 -1.820) 1.998 3.134 ( -0.505 0.652 1.820) 1.998 3.243 ( 0.149 3.098 -2.863) 4.221 3.243 ( -0.149 3.098 2.863) 4.221 3.356 ( -2.854 -0.353 -2.036) 3.523 3.356 ( 2.854 -0.353 2.036) 3.523 3.468 ( -4.460 1.029 -2.135) 5.051 3.468 ( 4.460 1.029 2.135) 5.051 3.595 ( -0.003 1.299 -2.114) 2.481 3.595 ( 0.003 1.299 2.114) 2.481 3.627 ( -0.728 0.012 -0.410) 0.836 3.627 ( 0.728 0.012 0.410) 0.836 3.690 ( -0.498 0.476 -0.958) 1.180 3.690 ( 0.498 0.476 0.958) 1.180 3.730 ( -0.873 -0.643 -1.045) 1.506 3.730 ( 0.873 -0.643 1.045) 1.506 3.760 ( -0.442 1.685 -0.474) 1.805 3.760 ( 0.442 1.685 0.474) 1.805 3.870 ( -0.834 0.969 -0.864) 1.543 3.870 ( 0.834 0.969 0.864) 1.543 3.919 ( 0.223 0.974 -1.065) 1.461 3.919 ( -0.223 0.974 1.065) 1.461 3.933 ( -1.387 2.274 -0.891) 2.808 3.933 ( 1.387 2.274 0.891) 2.808 4.038 ( -0.604 -0.068 -0.708) 0.933 4.038 ( 0.604 -0.068 0.708) 0.933 4.101 ( 0.427 0.393 -0.625) 0.853 4.101 ( -0.427 0.393 0.625) 0.853 4.203 ( -0.124 -2.307 -0.406) 2.346 4.203 ( 0.124 -2.307 0.406) 2.346 4.478 ( -0.199 2.402 -0.301) 2.429 4.478 ( 0.199 2.402 0.301) 2.429 4.521 ( -0.206 1.586 -0.068) 1.601 4.521 ( 0.206 1.586 0.068) 1.601 4.938 ( -0.014 2.939 -1.115) 3.143 4.938 ( 0.014 2.939 1.115) 3.143 5.409 ( 0.131 -7.855 -1.564) 8.011 5.409 ( -0.131 -7.855 1.564) 8.011 5.612 ( -0.272 0.537 -0.958) 1.131 5.612 ( 0.272 0.537 0.958) 1.131 5.679 ( -0.288 -0.567 -0.445) 0.776 5.679 ( 0.288 -0.567 0.445) 0.776 5.946 ( -0.917 6.401 -0.669) 6.501 5.946 ( 0.917 6.401 0.669) 6.501 6.191 ( -0.605 -0.505 -0.368) 0.870 6.191 ( 0.605 -0.505 0.368) 0.870 6.371 ( 1.172 -0.950 -0.787) 1.701 6.371 ( -1.172 -0.950 0.787) 1.701 6.462 ( 0.263 -2.382 -1.168) 2.666 6.462 ( -0.263 -2.382 1.168) 2.666 6.940 ( -0.262 0.144 -0.099) 0.315 6.940 ( 0.262 0.144 0.099) 0.315 6.965 ( -0.180 -0.311 -0.117) 0.378 6.965 ( 0.180 -0.311 0.117) 0.378 14.564 ( -0.398 0.967 -0.068) 1.048 14.564 ( 0.398 0.967 0.068) 1.048 14.637 ( -0.352 -0.928 -0.655) 1.189 14.637 ( 0.352 -0.928 0.655) 1.189 15.134 ( 0.485 1.923 -0.261) 2.000 15.134 ( -0.485 1.923 0.261) 2.000 15.168 ( 0.381 0.723 -0.436) 0.926 15.168 ( -0.381 0.723 0.436) 0.926 15.439 ( -0.060 0.748 -0.425) 0.863 15.439 ( 0.060 0.748 0.425) 0.863 15.575 ( 0.213 -3.057 -0.572) 3.118 15.575 ( -0.213 -3.057 0.572) 3.118 15.708 ( -1.391 3.113 -0.454) 3.440 15.708 ( 1.391 3.113 0.454) 3.440 15.934 ( -0.208 -2.000 -1.590) 2.563 15.934 ( 0.208 -2.000 1.590) 2.563 16.110 ( 0.139 -3.844 -0.884) 3.947 16.110 ( -0.139 -3.844 0.884) 3.947 16.134 ( -0.054 -2.571 -0.845) 2.707 16.134 ( 0.054 -2.571 0.845) 2.707 17.513 ( 0.423 2.193 -1.499) 2.690 17.513 ( -0.423 2.193 1.499) 2.690 17.635 ( -0.045 -1.715 -0.826) 1.904 17.635 ( 0.045 -1.715 0.826) 1.904 17.877 ( -0.298 2.137 -1.980) 2.929 17.877 ( 0.298 2.137 1.980) 2.929 18.019 ( -0.595 -0.372 -0.422) 0.819 18.019 ( 0.595 -0.372 0.422) 0.819 18.113 ( 0.890 4.250 -1.736) 4.677 18.113 ( -0.890 4.250 1.736) 4.677 18.364 ( -0.690 -1.512 -1.238) 2.073 18.364 ( 0.690 -1.512 1.238) 2.073 18.616 ( -1.407 2.089 -0.410) 2.551 18.616 ( 1.407 2.089 0.410) 2.551 18.723 ( -0.247 0.079 -1.925) 1.942 18.723 ( 0.247 0.079 1.925) 1.942 18.808 ( -0.344 0.056 -3.573) 3.590 18.808 ( 0.344 0.056 3.573) 3.590 19.223 ( -0.666 1.051 -1.692) 2.100 19.223 ( 0.666 1.051 1.692) 2.100 ======================= Grid point 84 (40/44) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -0.009 11.035 -5.222) 12.208 0.809 ( 1.212 9.737 3.991) 10.593 0.855 ( 5.102 5.655 -6.570) 10.059 0.982 ( 3.371 5.593 9.684) 11.680 1.095 ( -0.933 3.384 0.179) 3.515 1.157 ( 2.308 4.879 0.605) 5.431 1.174 ( 3.228 1.331 -0.157) 3.495 1.211 ( -6.571 2.121 0.754) 6.946 1.341 ( -2.535 0.987 -2.078) 3.424 1.358 ( -1.802 -2.657 -1.470) 3.531 1.400 ( -3.867 1.809 -2.788) 5.099 1.433 ( -0.789 1.195 -0.385) 1.482 1.480 ( -0.358 3.035 2.060) 3.686 1.542 ( 3.258 1.182 -1.590) 3.813 1.612 ( 1.725 5.687 1.919) 6.245 1.641 ( 1.904 -2.871 -1.336) 3.695 1.677 ( 2.610 1.541 -1.406) 3.342 1.741 ( -2.971 2.167 -2.478) 4.434 1.775 ( 1.858 0.518 1.567) 2.485 1.837 ( 1.467 -1.818 -2.136) 3.165 1.872 ( 1.014 -0.834 -2.936) 3.216 1.911 ( 5.532 6.061 7.067) 10.830 1.957 ( -1.572 -0.415 -3.848) 4.177 2.002 ( 2.305 -0.676 0.966) 2.589 2.046 ( 2.088 0.336 -0.080) 2.116 2.098 ( -0.306 2.910 1.927) 3.504 2.107 ( 2.228 1.930 -0.471) 2.985 2.189 ( -2.000 0.325 -0.954) 2.240 2.248 ( 2.696 -1.637 -1.149) 3.357 2.278 ( 2.033 -0.930 1.337) 2.604 2.306 ( -2.016 -2.834 -1.137) 3.659 2.321 ( -2.055 -0.658 3.084) 3.764 2.377 ( -5.616 -1.735 0.845) 5.938 2.409 ( -1.071 -0.524 0.615) 1.341 2.424 ( -0.472 0.950 0.774) 1.313 2.471 ( -0.422 -1.336 0.408) 1.459 2.496 ( -1.825 -2.685 0.750) 3.332 2.508 ( -2.034 -3.632 1.584) 4.454 2.620 ( -0.298 -1.833 2.267) 2.931 2.648 ( -2.818 -3.557 1.083) 4.665 2.680 ( 0.100 -2.492 0.097) 2.496 2.687 ( -3.022 -1.883 -0.748) 3.638 2.736 ( 0.580 -3.746 0.710) 3.856 2.803 ( 2.683 -3.926 0.228) 4.761 2.875 ( -2.824 -0.452 -2.182) 3.597 2.889 ( -0.243 -0.169 -1.517) 1.545 2.903 ( -1.818 0.125 -1.017) 2.087 2.955 ( 1.068 -1.274 -1.328) 2.128 3.021 ( -4.027 -2.475 1.091) 4.851 3.092 ( -0.984 0.869 -2.348) 2.690 3.101 ( -0.014 -1.000 -2.331) 2.537 3.144 ( -0.795 0.131 0.984) 1.272 3.256 ( 0.972 1.700 -1.675) 2.577 3.269 ( -2.968 1.143 2.099) 3.811 3.320 ( -2.105 0.448 1.273) 2.500 3.383 ( 1.078 -0.659 0.689) 1.440 3.449 ( 1.621 2.345 1.021) 3.028 3.518 ( -3.076 0.856 -0.707) 3.270 3.521 ( -1.124 1.105 0.105) 1.580 3.576 ( 0.850 2.415 -0.522) 2.613 3.607 ( -2.184 1.487 -0.247) 2.654 3.643 ( -0.337 2.723 -0.282) 2.759 3.670 ( 2.372 -0.915 1.306) 2.858 3.680 ( 0.366 -0.326 -0.435) 0.656 3.711 ( -0.118 -3.055 -0.708) 3.138 3.735 ( 0.872 -2.361 -0.004) 2.517 3.790 ( 3.146 1.303 0.093) 3.407 3.811 ( 2.709 1.812 0.461) 3.292 3.868 ( -1.146 0.544 0.168) 1.280 3.884 ( -1.631 -0.098 0.045) 1.634 3.903 ( 0.218 -0.316 -0.139) 0.409 3.931 ( 0.670 1.354 0.501) 1.591 3.942 ( 0.598 -1.058 -0.686) 1.396 4.003 ( 1.500 1.415 0.830) 2.223 4.019 ( -0.824 -0.159 -1.935) 2.109 4.045 ( -0.270 -0.937 0.256) 1.008 4.129 ( 3.493 1.345 0.061) 3.743 4.132 ( 3.762 1.213 0.140) 3.955 4.236 ( 3.562 -0.496 -0.415) 3.621 4.241 ( 3.360 1.489 0.222) 3.682 4.468 ( -0.966 0.400 0.182) 1.061 4.480 ( -0.641 2.790 0.016) 2.863 4.494 ( -1.755 1.542 -0.162) 2.342 4.505 ( -1.650 1.860 -0.053) 2.487 4.957 ( 2.640 1.725 -0.335) 3.172 4.974 ( 2.810 2.224 0.534) 3.623 5.327 ( -6.167 -4.951 -0.264) 7.913 5.342 ( -6.267 -4.955 -0.035) 7.989 5.626 ( 1.447 -1.680 0.041) 2.218 5.641 ( 1.226 -1.220 0.222) 1.744 5.674 ( 0.047 -1.088 -0.165) 1.102 5.691 ( 0.337 -2.212 -0.025) 2.237 5.963 ( 2.986 5.720 -0.244) 6.457 6.003 ( 3.835 5.129 0.091) 6.405 6.179 ( -0.644 -0.665 -0.151) 0.938 6.205 ( 0.142 -0.973 0.132) 0.993 6.352 ( -0.680 0.279 0.716) 1.027 6.382 ( 0.368 -0.594 -0.914) 1.150 6.455 ( 0.254 -1.940 0.375) 1.992 6.480 ( 0.585 -1.831 -0.082) 1.924 6.935 ( -0.223 -0.065 -0.034) 0.234 6.943 ( -0.218 -0.510 0.065) 0.559 6.952 ( -0.703 -0.325 0.160) 0.791 6.963 ( -0.455 -0.460 -0.082) 0.652 14.549 ( -0.850 0.583 -0.066) 1.033 14.568 ( 0.032 0.583 0.408) 0.712 14.608 ( -1.807 -0.777 -0.734) 2.100 14.631 ( -1.170 -0.873 0.440) 1.525 15.127 ( 0.131 1.801 0.389) 1.847 15.143 ( 0.711 1.605 -0.682) 1.883 15.197 ( 2.215 0.478 0.483) 2.317 15.203 ( 2.618 0.528 -0.128) 2.674 15.425 ( -0.568 1.452 0.014) 1.559 15.445 ( 0.136 0.993 -0.022) 1.003 15.532 ( -2.736 -0.397 0.225) 2.774 15.550 ( -2.740 0.331 -0.157) 2.765 15.728 ( 3.063 -0.204 0.111) 3.072 15.772 ( 3.612 0.380 -0.046) 3.632 15.923 ( -0.126 -3.040 -0.496) 3.083 15.956 ( 0.743 -2.414 0.645) 2.607 16.087 ( -1.617 -3.325 0.214) 3.704 16.107 ( -0.827 -2.844 -0.177) 2.967 16.122 ( -0.485 -1.993 -0.514) 2.114 16.134 ( -0.384 -2.139 0.518) 2.234 17.505 ( -0.257 1.886 -0.365) 1.938 17.506 ( -0.596 1.955 0.309) 2.067 17.617 ( -0.883 -1.779 0.148) 1.991 17.639 ( -0.762 -2.593 0.352) 2.726 17.878 ( 1.587 2.493 -0.573) 3.010 17.930 ( 2.998 2.182 1.694) 4.076 18.010 ( -0.469 1.504 -0.021) 1.576 18.050 ( 1.901 -0.563 -0.085) 1.985 18.098 ( -1.140 3.046 1.524) 3.592 18.125 ( 1.445 3.374 -1.988) 4.174 18.309 ( -3.435 -1.058 -1.335) 3.834 18.346 ( -2.834 -1.125 0.756) 3.141 18.594 ( -0.181 1.553 1.322) 2.047 18.664 ( 2.135 1.063 -1.469) 2.801 18.726 ( 1.397 0.440 -1.908) 2.405 18.750 ( 0.604 0.075 2.297) 2.377 18.795 ( 1.488 0.882 -3.111) 3.560 18.855 ( 2.472 0.284 2.747) 3.706 19.141 ( -5.778 2.670 -0.515) 6.386 19.188 ( -4.491 1.239 -0.033) 4.659 ======================= Grid point 85 (41/44) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 8.352 5.094 -2.811) 10.178 0.888 ( 5.335 5.957 -5.931) 9.956 0.953 ( 0.218 1.426 4.263) 4.501 1.006 ( -1.866 1.805 -0.504) 2.645 1.022 ( -6.107 3.557 3.847) 8.047 1.122 ( 1.627 4.173 5.546) 7.128 1.168 ( -2.693 1.351 -1.159) 3.228 1.241 ( -0.608 2.210 -0.467) 2.339 1.281 ( -2.308 -3.962 -0.587) 4.622 1.294 ( -0.659 -3.058 -2.673) 4.114 1.360 ( 1.413 0.252 0.729) 1.610 1.412 ( -2.269 -0.112 -0.102) 2.274 1.524 ( 2.693 1.167 0.839) 3.052 1.582 ( -0.062 0.302 -2.722) 2.739 1.627 ( 1.808 -0.380 -1.087) 2.143 1.652 ( 0.090 1.308 -0.167) 1.321 1.700 ( 2.462 3.981 1.921) 5.060 1.746 ( 2.150 0.036 -2.062) 2.979 1.790 ( -1.714 -0.999 1.899) 2.746 1.834 ( -1.312 -2.516 -3.116) 4.214 1.888 ( 0.076 -1.290 -0.265) 1.320 1.901 ( -1.527 0.228 -2.253) 2.732 1.981 ( 1.409 -1.093 2.608) 3.159 2.048 ( -0.394 1.244 2.905) 3.185 2.082 ( -0.396 1.337 0.820) 1.618 2.085 ( -0.190 1.306 -2.538) 2.860 2.133 ( 0.829 -0.553 -1.523) 1.820 2.178 ( -2.036 1.114 -0.989) 2.523 2.248 ( 2.364 2.910 2.210) 4.352 2.272 ( 1.740 1.729 -1.510) 2.880 2.306 ( 2.039 0.714 2.784) 3.524 2.374 ( 4.406 -1.883 0.148) 4.794 2.393 ( -1.320 1.207 0.333) 1.819 2.416 ( 1.611 0.450 2.480) 2.991 2.436 ( -0.157 -1.114 -0.614) 1.281 2.460 ( -1.982 -1.629 1.742) 3.101 2.464 ( 3.109 0.835 1.319) 3.479 2.524 ( 1.514 -2.410 1.864) 3.403 2.563 ( -4.689 -0.763 -3.390) 5.836 2.605 ( -2.877 2.332 2.156) 4.285 2.621 ( -0.620 -1.660 -0.345) 1.805 2.655 ( -4.588 -1.037 -1.385) 4.904 2.746 ( 0.267 -2.440 -0.628) 2.533 2.780 ( -1.488 -0.416 -0.857) 1.767 2.817 ( -2.304 0.825 0.047) 2.448 2.852 ( -2.141 0.755 -0.622) 2.354 2.925 ( 3.302 0.806 -0.531) 3.441 2.951 ( -0.170 0.807 -1.209) 1.464 2.967 ( 0.697 -1.997 4.670) 5.127 3.094 ( -0.648 -0.901 -4.251) 4.394 3.114 ( 2.937 0.797 -4.168) 5.161 3.130 ( -0.846 0.623 1.658) 1.963 3.158 ( -5.078 -3.393 0.113) 6.108 3.200 ( -6.558 2.016 1.889) 7.116 3.270 ( 0.673 0.987 0.051) 1.196 3.329 ( -4.428 -1.230 0.657) 4.642 3.515 ( 2.804 2.499 -0.077) 3.757 3.525 ( 2.518 2.064 1.142) 3.451 3.570 ( 1.183 4.107 -0.307) 4.285 3.577 ( -1.242 2.624 -0.103) 2.905 3.617 ( 3.397 0.021 0.688) 3.466 3.646 ( 0.471 0.907 -1.202) 1.578 3.677 ( 0.758 -1.311 1.116) 1.881 3.714 ( -0.007 -1.765 -1.335) 2.213 3.739 ( 2.536 -2.348 0.591) 3.507 3.759 ( 2.085 -3.073 -0.621) 3.765 3.798 ( -2.583 -0.367 0.294) 2.626 3.834 ( -3.079 -1.655 0.018) 3.496 3.865 ( 2.181 1.327 0.306) 2.572 3.891 ( 1.881 0.817 0.263) 2.067 3.906 ( -0.014 -0.580 0.041) 0.582 3.923 ( 1.471 -0.254 -0.511) 1.578 3.965 ( -1.043 -0.435 0.398) 1.198 3.969 ( -0.943 -1.748 -0.162) 1.993 3.975 ( -2.376 -0.454 -0.147) 2.423 4.018 ( -2.193 -1.236 -0.350) 2.542 4.224 ( 4.511 4.120 -0.924) 6.179 4.230 ( 3.765 3.948 0.834) 5.519 4.303 ( 1.876 4.070 0.293) 4.491 4.309 ( 1.815 4.439 -0.302) 4.805 4.433 ( -1.224 -0.986 0.216) 1.586 4.446 ( -1.628 -0.128 -0.176) 1.643 4.472 ( -0.933 -0.392 -0.004) 1.012 4.475 ( -1.042 1.565 -0.041) 1.881 5.041 ( 5.438 -0.012 -0.059) 5.439 5.055 ( 4.642 0.318 0.411) 4.671 5.191 ( -6.516 -2.109 -0.228) 6.852 5.198 ( -6.895 -2.428 -0.179) 7.313 5.657 ( 1.299 -2.913 0.225) 3.198 5.659 ( 0.611 -2.027 -0.009) 2.117 5.672 ( -0.208 -2.134 -0.015) 2.144 5.685 ( -0.826 -3.051 -0.185) 3.167 6.045 ( 4.133 2.817 0.502) 5.027 6.076 ( 2.577 2.272 -0.827) 3.534 6.158 ( -1.109 -0.059 0.368) 1.170 6.181 ( -2.312 -0.662 -0.082) 2.406 6.362 ( 1.047 1.465 0.483) 1.864 6.380 ( -0.186 0.676 -0.545) 0.888 6.468 ( 0.691 -1.190 0.029) 1.376 6.480 ( -0.467 -1.237 0.048) 1.323 6.930 ( -0.099 -0.570 -0.153) 0.598 6.934 ( -0.520 -0.765 0.113) 0.932 6.944 ( -0.131 -0.602 0.326) 0.697 6.951 ( -0.518 -0.733 -0.202) 0.920 14.541 ( 0.272 -0.147 0.096) 0.323 14.563 ( -1.612 -0.696 -0.025) 1.756 14.581 ( 0.714 0.056 -0.267) 0.765 14.604 ( -1.475 -0.510 0.197) 1.573 15.140 ( 0.632 1.437 0.630) 1.692 15.151 ( 0.196 1.342 -0.762) 1.555 15.240 ( 1.507 -0.363 0.089) 1.553 15.246 ( 1.076 -0.181 0.113) 1.097 15.429 ( 1.131 2.651 0.169) 2.887 15.452 ( 0.561 1.555 -0.209) 1.667 15.478 ( -2.212 2.738 -0.204) 3.525 15.493 ( -2.537 2.144 0.312) 3.336 15.798 ( 3.102 -2.798 0.391) 4.196 15.827 ( 1.182 -2.197 -0.470) 2.539 15.923 ( 0.623 -4.258 0.278) 4.313 15.954 ( -1.335 -3.980 -0.188) 4.202 16.065 ( -0.220 -1.366 0.564) 1.494 16.082 ( -1.168 -1.406 -0.541) 1.906 16.117 ( 0.172 -1.100 -0.021) 1.114 16.126 ( -0.606 -1.379 0.136) 1.513 17.502 ( 0.037 1.326 0.061) 1.328 17.503 ( 0.049 1.316 -0.102) 1.321 17.604 ( -0.175 -2.393 -0.011) 2.400 17.616 ( -1.273 -2.771 0.229) 3.058 17.923 ( 2.843 3.148 -0.254) 4.249 17.977 ( -2.088 4.067 0.307) 4.582 18.006 ( 2.640 1.481 1.303) 3.295 18.061 ( -1.653 1.844 -0.771) 2.594 18.109 ( 2.319 0.412 1.437) 2.759 18.151 ( 0.841 0.752 -1.662) 2.009 18.241 ( -1.107 -0.759 -0.816) 1.571 18.280 ( -3.626 -0.586 0.507) 3.708 18.620 ( 1.117 0.805 3.232) 3.513 18.663 ( -0.519 -0.048 -3.578) 3.616 18.744 ( 1.359 0.146 -1.590) 2.096 18.758 ( -0.823 -0.027 1.425) 1.646 18.856 ( 5.285 3.101 -0.854) 6.187 18.928 ( 1.520 1.737 1.660) 2.843 19.019 ( -3.969 3.169 0.190) 5.083 19.076 ( -5.390 1.860 -0.990) 5.788 ======================= Grid point 88 (42/44) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 1.497 5.044 -6.238) 8.160 0.955 ( -1.497 5.044 6.238) 8.160 1.049 ( -1.788 9.271 -4.316) 10.381 1.049 ( 1.788 9.271 4.316) 10.381 1.134 ( -1.168 -0.565 -2.848) 3.129 1.134 ( 1.168 -0.565 2.848) 3.129 1.254 ( 1.879 1.232 -1.191) 2.543 1.254 ( -1.879 1.232 1.191) 2.543 1.388 ( 0.668 -3.691 -2.456) 4.483 1.388 ( -0.668 -3.691 2.456) 4.483 1.458 ( -4.874 -0.245 -1.192) 5.023 1.458 ( 4.874 -0.245 1.192) 5.023 1.499 ( 3.490 0.231 -2.247) 4.157 1.499 ( -3.490 0.231 2.247) 4.157 1.611 ( -2.781 -0.279 -0.892) 2.934 1.611 ( 2.781 -0.279 0.892) 2.934 1.741 ( 1.309 -0.160 -1.806) 2.236 1.741 ( -1.309 -0.160 1.806) 2.236 1.857 ( -1.875 4.573 -0.844) 5.014 1.857 ( 1.875 4.573 0.844) 5.014 1.895 ( -3.935 5.030 -0.826) 6.439 1.895 ( 3.935 5.030 0.826) 6.439 1.983 ( 1.564 -0.169 -3.638) 3.964 1.983 ( -1.564 -0.169 3.638) 3.964 2.051 ( -5.134 -2.520 -2.725) 6.335 2.051 ( 5.134 -2.520 2.725) 6.335 2.160 ( 0.692 1.931 -2.088) 2.927 2.160 ( -0.692 1.931 2.088) 2.927 2.215 ( 0.294 -1.418 -2.340) 2.752 2.215 ( -0.294 -1.418 2.340) 2.752 2.316 ( -0.360 0.647 -2.610) 2.713 2.316 ( 0.360 0.647 2.610) 2.713 2.385 ( 0.041 -2.985 -1.896) 3.537 2.385 ( -0.041 -2.985 1.896) 3.537 2.466 ( 0.144 -0.722 -1.421) 1.600 2.466 ( -0.144 -0.722 1.421) 1.600 2.512 ( -0.100 -0.790 -1.450) 1.654 2.512 ( 0.100 -0.790 1.450) 1.654 2.547 ( -2.204 -0.823 -0.682) 2.450 2.547 ( 2.204 -0.823 0.682) 2.450 2.622 ( -0.032 -4.280 -0.481) 4.307 2.622 ( 0.032 -4.280 0.481) 4.307 2.697 ( -1.069 -1.524 -0.270) 1.881 2.697 ( 1.069 -1.524 0.270) 1.881 2.867 ( 0.354 0.140 -0.953) 1.027 2.867 ( -0.354 0.140 0.953) 1.027 2.932 ( -0.234 -0.577 -0.996) 1.175 2.932 ( 0.234 -0.577 0.996) 1.175 3.011 ( 0.150 -2.461 -1.649) 2.966 3.011 ( -0.150 -2.461 1.649) 2.966 3.173 ( 0.230 2.065 -1.574) 2.607 3.173 ( -0.230 2.065 1.574) 2.607 3.246 ( -0.393 -1.615 -2.131) 2.702 3.246 ( 0.393 -1.615 2.131) 2.702 3.361 ( -1.465 0.072 -0.306) 1.499 3.361 ( 1.465 0.072 0.306) 1.499 3.528 ( -3.830 3.776 -1.671) 5.632 3.528 ( 3.830 3.776 1.671) 5.632 3.588 ( -1.794 -1.549 -0.601) 2.445 3.588 ( 1.794 -1.549 0.601) 2.445 3.638 ( -0.159 1.306 -0.649) 1.467 3.638 ( 0.159 1.306 0.649) 1.467 3.678 ( -0.462 -1.370 -0.360) 1.490 3.678 ( 0.462 -1.370 0.360) 1.490 3.754 ( -1.922 2.595 -1.727) 3.662 3.754 ( 1.922 2.595 1.727) 3.662 3.794 ( -1.314 0.350 -0.415) 1.421 3.794 ( 1.314 0.350 0.415) 1.421 3.849 ( -0.698 -0.717 -0.758) 1.255 3.849 ( 0.698 -0.717 0.758) 1.255 3.886 ( -0.424 -2.476 -0.673) 2.601 3.886 ( 0.424 -2.476 0.673) 2.601 4.032 ( -1.431 5.602 -1.095) 5.884 4.032 ( 1.431 5.602 1.095) 5.884 4.066 ( -0.238 2.007 -1.027) 2.267 4.066 ( 0.238 2.007 1.027) 2.267 4.102 ( -0.978 -0.839 -1.314) 1.841 4.102 ( 0.978 -0.839 1.314) 1.841 4.143 ( -1.239 -4.068 -0.482) 4.280 4.143 ( 1.239 -4.068 0.482) 4.280 4.507 ( -0.323 0.704 -0.199) 0.800 4.507 ( 0.323 0.704 0.199) 0.800 4.522 ( -0.514 -0.617 0.024) 0.803 4.522 ( 0.514 -0.617 -0.024) 0.803 5.056 ( 0.057 8.262 -1.664) 8.428 5.056 ( -0.057 8.262 1.664) 8.428 5.237 ( 0.126 -9.278 -1.793) 9.450 5.237 ( -0.126 -9.278 1.793) 9.450 5.628 ( -0.253 0.930 -0.693) 1.187 5.628 ( 0.253 0.930 0.693) 1.187 5.659 ( -0.045 -1.149 -0.132) 1.157 5.659 ( 0.045 -1.149 0.132) 1.157 6.074 ( -0.479 5.955 -1.091) 6.073 6.074 ( 0.479 5.955 1.091) 6.073 6.163 ( -0.476 -2.782 -0.741) 2.918 6.163 ( 0.476 -2.782 0.741) 2.918 6.356 ( 0.569 -0.438 -0.389) 0.817 6.356 ( -0.569 -0.438 0.389) 0.817 6.417 ( -0.072 -1.574 -0.537) 1.665 6.417 ( 0.072 -1.574 0.537) 1.665 6.942 ( -0.058 0.033 -0.043) 0.080 6.942 ( 0.058 0.033 0.043) 0.080 6.960 ( -0.112 -0.133 -0.052) 0.181 6.960 ( 0.112 -0.133 0.052) 0.181 14.586 ( -0.308 1.083 -0.176) 1.139 14.586 ( 0.308 1.083 0.176) 1.139 14.617 ( -0.254 -0.984 -0.449) 1.111 14.617 ( 0.254 -0.984 0.449) 1.111 15.163 ( 0.363 0.803 -0.187) 0.901 15.163 ( -0.363 0.803 0.187) 0.901 15.181 ( 0.163 0.439 -0.191) 0.505 15.181 ( -0.163 0.439 0.191) 0.505 15.463 ( -0.271 1.832 -0.460) 1.908 15.463 ( 0.271 1.832 0.460) 1.908 15.513 ( -0.618 -3.027 -0.043) 3.090 15.513 ( 0.618 -3.027 0.043) 3.090 15.785 ( -0.886 4.387 -0.450) 4.498 15.785 ( 0.886 4.387 0.450) 4.498 15.877 ( -0.491 -3.784 -0.814) 3.902 15.877 ( 0.491 -3.784 0.814) 3.902 16.047 ( -0.123 -1.832 -0.189) 1.846 16.047 ( 0.123 -1.832 0.189) 1.846 16.101 ( -0.055 -0.836 -0.226) 0.868 16.101 ( 0.055 -0.836 0.226) 0.868 17.547 ( 0.412 1.181 -0.935) 1.562 17.547 ( -0.412 1.181 0.935) 1.562 17.601 ( 0.287 -1.338 -0.678) 1.527 17.601 ( -0.287 -1.338 0.678) 1.527 17.922 ( -0.227 2.021 -1.131) 2.327 17.922 ( 0.227 2.021 1.131) 2.327 18.000 ( -0.460 -1.212 -0.425) 1.364 18.000 ( 0.460 -1.212 0.425) 1.364 18.207 ( 0.201 4.675 -1.639) 4.958 18.207 ( -0.201 4.675 1.639) 4.958 18.309 ( -0.287 -3.659 -1.385) 3.923 18.309 ( 0.287 -3.659 1.385) 3.923 18.656 ( -1.440 1.523 -0.457) 2.146 18.656 ( 1.440 1.523 0.457) 2.146 18.714 ( -0.559 -0.762 -1.095) 1.447 18.714 ( 0.559 -0.762 1.095) 1.447 18.823 ( -0.084 0.759 -1.496) 1.680 18.823 ( 0.084 0.759 1.496) 1.680 19.234 ( -0.223 0.206 -0.596) 0.669 19.234 ( 0.223 0.206 0.596) 0.669 ======================= Grid point 90 (43/44) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -3.206 10.184 -3.940) 11.380 0.968 ( 2.458 5.835 -4.110) 7.548 0.979 ( -0.609 5.899 3.552) 6.913 1.085 ( -1.949 -2.249 -1.481) 3.324 1.097 ( -0.440 3.574 4.155) 5.498 1.164 ( -0.570 -2.643 2.808) 3.898 1.190 ( -4.337 -2.494 0.041) 5.003 1.266 ( -4.359 -3.193 0.180) 5.406 1.290 ( -0.250 3.492 0.711) 3.573 1.360 ( -1.239 0.659 -3.186) 3.481 1.405 ( -2.752 0.157 2.338) 3.614 1.434 ( -3.164 -0.628 -0.008) 3.225 1.540 ( -0.031 0.828 -0.161) 0.844 1.557 ( 1.773 -0.396 -1.418) 2.305 1.576 ( 1.193 0.097 0.517) 1.303 1.635 ( -1.224 -3.254 0.637) 3.534 1.736 ( -0.996 1.717 1.011) 2.227 1.770 ( -0.206 -0.756 -1.708) 1.880 1.816 ( 1.813 3.712 -2.338) 4.747 1.833 ( -0.585 3.372 -0.615) 3.477 1.893 ( 2.101 0.806 -2.068) 3.056 1.935 ( -1.038 3.065 -0.847) 3.345 1.956 ( 0.648 -3.740 -2.006) 4.293 2.013 ( 1.563 -0.825 2.519) 3.077 2.090 ( 3.384 2.765 1.506) 4.622 2.109 ( 0.467 -1.294 -0.265) 1.401 2.157 ( 1.025 2.720 -2.615) 3.910 2.197 ( 2.430 -0.366 -1.211) 2.740 2.245 ( 2.368 2.034 -0.623) 3.183 2.265 ( -0.569 1.241 0.930) 1.652 2.291 ( 2.991 -0.047 0.868) 3.115 2.336 ( -0.041 2.116 1.394) 2.534 2.351 ( -1.244 -1.835 -0.990) 2.428 2.377 ( -1.204 -3.425 1.162) 3.812 2.427 ( -2.662 -0.713 2.191) 3.520 2.443 ( -0.755 0.320 -0.603) 1.018 2.481 ( -1.132 0.695 4.236) 4.439 2.486 ( -0.805 2.355 0.690) 2.583 2.540 ( 1.158 -4.749 0.984) 4.986 2.562 ( -0.350 -4.673 2.394) 5.262 2.618 ( 0.221 -2.513 -0.473) 2.567 2.644 ( 0.337 -4.505 0.052) 4.518 2.692 ( -0.273 0.151 0.772) 0.832 2.711 ( 1.334 -2.228 -0.604) 2.666 2.879 ( -0.185 1.042 1.040) 1.483 2.894 ( 1.105 0.150 -0.203) 1.133 2.925 ( 0.347 1.120 -1.400) 1.826 2.937 ( -0.340 -0.691 -2.083) 2.220 2.989 ( -0.671 -0.281 0.035) 0.729 3.030 ( 0.862 -4.024 -0.290) 4.126 3.142 ( -1.639 3.619 -2.865) 4.898 3.198 ( 0.903 3.800 0.559) 3.945 3.217 ( -1.929 -2.816 -3.598) 4.959 3.275 ( 0.521 -2.124 1.664) 2.748 3.358 ( -2.256 1.503 2.610) 3.763 3.376 ( -2.292 -0.302 0.555) 2.378 3.489 ( 2.643 1.739 0.419) 3.191 3.520 ( -1.053 -0.827 -0.449) 1.412 3.554 ( -2.532 1.891 -0.305) 3.175 3.584 ( 0.616 -1.055 -0.518) 1.327 3.640 ( -0.559 0.539 -0.533) 0.942 3.652 ( 0.416 -0.689 0.868) 1.183 3.666 ( 0.255 -0.482 -0.868) 1.025 3.678 ( -0.135 -1.230 -0.184) 1.251 3.702 ( 0.287 4.585 0.320) 4.606 3.744 ( -1.644 3.422 -0.068) 3.798 3.788 ( 0.059 -2.624 0.530) 2.677 3.819 ( -0.554 -3.113 -0.442) 3.193 3.852 ( 1.439 1.854 1.141) 2.610 3.883 ( 0.420 -0.471 -0.373) 0.733 3.893 ( 1.516 -1.220 0.472) 2.003 3.898 ( 0.868 -0.682 -0.901) 1.425 3.997 ( -2.670 2.649 -0.189) 3.766 4.012 ( -2.160 0.686 0.519) 2.324 4.028 ( -1.993 0.053 -0.742) 2.128 4.035 ( -2.271 -0.733 0.476) 2.433 4.160 ( 5.867 2.317 -1.238) 6.428 4.183 ( 5.946 3.026 0.778) 6.717 4.212 ( 6.150 -2.172 -0.506) 6.542 4.241 ( 6.105 -1.882 0.475) 6.406 4.486 ( -1.653 1.312 -0.108) 2.113 4.499 ( -1.642 0.710 0.112) 1.793 4.504 ( -1.015 -0.323 -0.125) 1.073 4.522 ( -0.686 -0.786 0.138) 1.052 5.045 ( 0.215 6.800 -0.890) 6.861 5.066 ( 0.161 6.698 1.103) 6.791 5.198 ( -2.574 -7.637 -1.219) 8.151 5.215 ( -2.927 -7.434 0.947) 8.046 5.616 ( -0.351 0.669 -0.431) 0.870 5.633 ( -0.242 0.238 0.659) 0.741 5.647 ( -0.851 -1.862 -0.449) 2.095 5.652 ( -0.723 -1.257 0.208) 1.465 6.073 ( 0.997 5.039 -0.522) 5.163 6.101 ( 1.309 4.485 0.417) 4.691 6.150 ( -0.384 -2.558 -0.376) 2.614 6.172 ( -0.142 -2.541 0.404) 2.577 6.363 ( 1.046 0.771 0.491) 1.389 6.376 ( 1.493 -0.195 -0.499) 1.587 6.421 ( 0.986 -0.739 0.097) 1.236 6.440 ( 1.236 -1.993 -0.087) 2.347 6.934 ( -0.626 -0.040 -0.031) 0.628 6.935 ( -0.662 -0.227 0.012) 0.700 6.949 ( -0.788 0.049 0.050) 0.791 6.954 ( -0.709 -0.400 -0.009) 0.814 14.564 ( -1.453 0.906 -0.056) 1.713 14.578 ( -1.228 -0.033 0.440) 1.305 14.597 ( -1.009 0.036 -0.583) 1.166 14.611 ( -0.888 -1.019 0.232) 1.371 15.157 ( 0.089 1.091 0.109) 1.100 15.165 ( 0.415 0.394 -0.535) 0.784 15.206 ( 1.685 0.420 0.361) 1.774 15.210 ( 1.969 0.061 0.206) 1.980 15.463 ( 0.503 2.133 -0.152) 2.197 15.476 ( 0.737 2.336 0.064) 2.450 15.506 ( 0.027 -2.054 0.200) 2.064 15.528 ( 0.583 -2.392 -0.191) 2.469 15.763 ( -0.655 3.578 0.148) 3.640 15.810 ( 0.840 3.344 -0.034) 3.448 15.847 ( -1.467 -4.416 0.035) 4.653 15.889 ( -0.128 -4.168 -0.006) 4.170 16.043 ( 0.013 -0.690 0.257) 0.736 16.057 ( 0.356 -1.857 0.028) 1.891 16.099 ( 0.011 -0.481 -0.257) 0.545 16.103 ( 0.055 -0.935 0.036) 0.937 17.535 ( -0.950 1.214 0.609) 1.657 17.539 ( -0.501 1.079 -0.844) 1.459 17.586 ( -1.230 -1.111 0.476) 1.725 17.593 ( -0.953 -1.768 -0.064) 2.010 17.934 ( 1.989 2.861 -0.339) 3.501 17.966 ( 2.927 0.622 0.497) 3.034 18.014 ( 1.688 -0.109 0.255) 1.711 18.034 ( 2.093 -1.237 0.823) 2.567 18.173 ( -2.207 4.161 -0.477) 4.734 18.203 ( -1.161 3.445 -0.354) 3.653 18.267 ( -2.580 -2.489 -1.137) 3.761 18.298 ( -2.042 -3.357 0.884) 4.027 18.631 ( -0.221 2.017 -0.247) 2.044 18.665 ( 0.257 -1.071 -1.473) 1.839 18.736 ( 1.605 0.748 -0.118) 1.774 18.749 ( 1.013 -0.359 1.432) 1.790 18.830 ( 2.302 1.989 -0.906) 3.175 18.856 ( 2.722 -0.495 1.292) 3.053 19.180 ( -4.445 1.326 -0.398) 4.656 19.195 ( -4.009 -0.274 -0.037) 4.018 ======================= Grid point 91 (44/44) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 1.547 5.571 -1.830) 6.065 0.964 ( -5.371 -1.214 -1.012) 5.598 1.016 ( 3.419 5.450 -2.327) 6.842 1.036 ( 3.794 2.774 0.891) 4.784 1.101 ( -3.821 3.316 1.663) 5.325 1.137 ( 0.407 -2.502 2.310) 3.429 1.152 ( -2.170 -5.251 1.517) 5.881 1.180 ( -4.636 -2.320 -1.902) 5.522 1.283 ( 0.534 3.840 1.519) 4.163 1.328 ( -1.722 3.584 -0.829) 4.061 1.374 ( -0.987 -2.215 0.726) 2.531 1.384 ( -1.352 -0.825 -0.359) 1.624 1.539 ( 1.037 0.763 1.123) 1.709 1.566 ( -0.152 -1.608 -0.957) 1.878 1.617 ( 2.803 0.223 -1.830) 3.355 1.638 ( 3.457 -1.195 0.781) 3.740 1.715 ( -3.214 -0.472 1.397) 3.536 1.744 ( -2.277 -2.750 -0.735) 3.645 1.814 ( 0.553 2.793 -0.873) 2.979 1.828 ( -1.312 1.444 0.670) 2.063 1.876 ( -1.910 0.449 -0.918) 2.167 1.892 ( -2.971 -1.151 -1.509) 3.526 1.974 ( 1.648 1.146 0.903) 2.201 2.028 ( -1.903 -3.140 -0.418) 3.695 2.079 ( 0.022 -0.119 -1.171) 1.177 2.085 ( 0.103 -0.611 -1.897) 1.996 2.170 ( 1.048 3.613 0.930) 3.875 2.222 ( -3.241 2.597 -0.316) 4.165 2.256 ( 1.925 -2.833 0.352) 3.443 2.292 ( 0.243 -2.918 -1.692) 3.381 2.329 ( 2.975 2.289 0.921) 3.865 2.363 ( -0.540 -1.437 0.563) 1.635 2.390 ( 4.194 3.026 -0.900) 5.249 2.428 ( -0.159 -0.377 -1.205) 1.272 2.440 ( 3.282 0.600 2.433) 4.129 2.447 ( 1.833 -0.225 -0.003) 1.847 2.500 ( 2.421 3.500 1.797) 4.619 2.515 ( 1.437 1.174 3.784) 4.215 2.556 ( -0.589 0.302 1.186) 1.358 2.595 ( 1.358 -1.132 -0.785) 1.934 2.625 ( 2.402 -0.204 -0.203) 2.419 2.648 ( -0.256 -0.530 2.344) 2.417 2.701 ( 0.263 -1.053 -0.623) 1.251 2.735 ( -0.912 -3.679 0.012) 3.790 2.852 ( -0.800 2.247 -1.267) 2.700 2.873 ( -3.127 1.816 0.137) 3.619 2.909 ( -0.310 -1.883 -1.175) 2.241 2.938 ( -0.498 -1.032 1.998) 2.303 2.968 ( 0.623 1.178 -0.124) 1.339 3.027 ( -1.636 -4.786 -2.528) 5.655 3.106 ( -0.104 0.231 -1.469) 1.490 3.119 ( -2.720 -1.081 -1.453) 3.268 3.206 ( 0.503 4.892 -0.523) 4.945 3.262 ( -5.442 3.064 1.779) 6.493 3.274 ( -0.925 -1.368 -0.108) 1.655 3.303 ( -4.186 -1.351 0.940) 4.498 3.537 ( 2.338 1.161 -0.784) 2.725 3.561 ( 1.111 0.630 0.062) 1.279 3.593 ( 4.334 -0.792 0.124) 4.408 3.608 ( 2.168 -0.339 1.255) 2.528 3.638 ( 0.693 1.595 -0.508) 1.812 3.657 ( -0.713 1.504 0.108) 1.668 3.684 ( 0.402 -1.541 0.163) 1.601 3.692 ( 1.290 -2.704 -0.768) 3.093 3.716 ( 0.870 1.519 0.171) 1.758 3.722 ( 0.384 3.174 -0.368) 3.219 3.762 ( -1.986 -2.621 0.043) 3.289 3.792 ( -2.591 -2.845 0.382) 3.867 3.890 ( 1.397 1.069 0.723) 1.902 3.900 ( 1.193 -0.020 0.368) 1.249 3.909 ( 1.640 0.805 -0.867) 2.023 3.929 ( 1.573 -1.474 -0.379) 2.189 3.939 ( -1.853 1.345 -0.144) 2.294 3.959 ( -3.075 -0.497 0.491) 3.153 3.977 ( -2.059 0.282 -0.319) 2.103 3.992 ( -2.431 -1.211 -0.024) 2.716 4.285 ( 5.626 2.478 -0.103) 6.148 4.301 ( 4.588 2.840 -0.271) 5.403 4.335 ( 4.940 -1.132 -0.020) 5.068 4.352 ( 3.502 -0.602 0.272) 3.564 4.438 ( -2.492 1.595 0.043) 2.959 4.451 ( -2.621 1.488 -0.270) 3.026 4.472 ( -1.625 -0.127 0.134) 1.635 4.491 ( -2.344 -0.524 0.075) 2.403 5.067 ( 2.486 2.673 -0.607) 3.701 5.083 ( 0.975 2.514 1.068) 2.901 5.134 ( -2.572 -3.503 -1.067) 4.475 5.143 ( -4.026 -2.994 0.523) 5.044 5.614 ( 0.385 -0.886 -0.125) 0.974 5.626 ( -0.584 -1.447 -0.269) 1.584 5.632 ( -0.196 -1.296 0.033) 1.311 5.637 ( -0.780 -1.343 0.409) 1.606 6.101 ( 1.518 2.572 0.148) 2.990 6.120 ( 0.239 1.835 -0.627) 1.954 6.145 ( 0.110 -1.079 0.434) 1.168 6.160 ( -0.941 -1.452 -0.053) 1.731 6.394 ( 1.113 1.409 0.694) 1.925 6.401 ( 0.904 0.994 -0.640) 1.488 6.445 ( 0.970 -0.775 0.067) 1.244 6.455 ( 0.129 -1.301 -0.080) 1.310 6.922 ( -0.343 -0.218 -0.071) 0.412 6.923 ( -0.435 -0.339 0.049) 0.553 6.935 ( -0.471 -0.229 0.123) 0.537 6.938 ( -0.639 -0.487 -0.086) 0.808 14.542 ( -0.469 0.251 0.053) 0.534 14.550 ( -1.178 -0.563 -0.028) 1.306 14.584 ( -0.032 0.306 -0.091) 0.321 14.593 ( -0.857 -0.556 0.067) 1.024 15.165 ( 0.331 0.851 0.303) 0.962 15.169 ( 0.152 0.408 -0.455) 0.630 15.237 ( 1.034 0.063 0.063) 1.038 15.241 ( 0.669 -0.290 0.197) 0.756 15.481 ( 1.049 2.139 0.196) 2.391 15.491 ( 0.560 2.008 -0.345) 2.113 15.510 ( 0.223 0.513 0.292) 0.631 15.525 ( -0.719 0.272 -0.222) 0.800 15.768 ( 1.013 0.400 0.297) 1.129 15.799 ( -1.550 -1.028 -0.279) 1.881 15.845 ( 1.039 -2.417 0.266) 2.644 15.872 ( -1.307 -3.752 -0.170) 3.977 16.050 ( 0.401 -0.125 0.310) 0.522 16.058 ( -0.163 -0.881 -0.167) 0.912 16.100 ( 0.170 -0.442 -0.028) 0.474 16.103 ( -0.077 -0.755 -0.074) 0.762 17.524 ( -0.388 0.899 0.483) 1.091 17.526 ( -0.238 0.843 -0.587) 1.055 17.567 ( -0.555 -1.187 0.311) 1.347 17.572 ( -0.813 -1.545 -0.130) 1.751 17.987 ( 3.038 3.075 -0.107) 4.324 18.023 ( 1.093 0.272 -0.038) 1.127 18.055 ( 1.612 2.182 1.221) 2.974 18.073 ( 1.005 -0.397 0.200) 1.099 18.134 ( -0.964 1.745 0.819) 2.155 18.160 ( -2.048 -0.045 -2.028) 2.882 18.219 ( -0.519 -0.433 -0.724) 0.991 18.249 ( -2.920 -2.255 0.741) 3.763 18.642 ( 0.726 1.186 0.994) 1.709 18.660 ( -0.065 -0.469 -1.443) 1.519 18.748 ( 0.411 0.324 -0.727) 0.896 18.755 ( -0.584 -0.299 0.627) 0.908 18.915 ( 5.455 2.488 -0.004) 5.996 18.944 ( 4.260 -0.293 1.022) 4.390 19.069 ( -5.284 1.876 -0.190) 5.610 19.091 ( -5.435 -0.234 -0.539) 5.467 =================== 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 3/20160 10.0 57.224 54.325 53.412 0.000 5.229 0.000 3/20160 20.0 12.020 11.835 10.154 0.000 0.804 0.000 3/20160 30.0 5.543 5.499 4.617 0.000 0.342 0.000 3/20160 40.0 3.503 3.471 2.882 0.000 0.205 0.000 3/20160 50.0 2.570 2.537 2.082 0.000 0.144 0.000 3/20160 60.0 2.043 2.009 1.631 0.000 0.111 0.000 3/20160 70.0 1.704 1.670 1.342 0.000 0.090 0.000 3/20160 80.0 1.466 1.433 1.142 0.000 0.076 0.000 3/20160 90.0 1.289 1.258 0.995 0.000 0.066 0.000 3/20160 100.0 1.152 1.122 0.882 0.000 0.058 0.000 3/20160 110.0 1.042 1.013 0.792 0.000 0.052 0.000 3/20160 120.0 0.952 0.925 0.720 0.000 0.047 0.000 3/20160 130.0 0.877 0.851 0.659 0.000 0.043 0.000 3/20160 140.0 0.813 0.788 0.609 0.000 0.039 0.000 3/20160 150.0 0.758 0.734 0.565 0.000 0.036 0.000 3/20160 160.0 0.710 0.687 0.528 0.000 0.034 0.000 3/20160 170.0 0.668 0.646 0.495 0.000 0.032 0.000 3/20160 180.0 0.630 0.609 0.466 0.000 0.030 0.000 3/20160 190.0 0.597 0.577 0.441 0.000 0.028 0.000 3/20160 200.0 0.567 0.548 0.418 0.000 0.027 0.000 3/20160 210.0 0.540 0.522 0.397 0.000 0.025 0.000 3/20160 220.0 0.516 0.498 0.378 0.000 0.024 0.000 3/20160 230.0 0.493 0.476 0.361 0.000 0.023 0.000 3/20160 240.0 0.473 0.456 0.346 0.000 0.022 0.000 3/20160 250.0 0.454 0.438 0.332 0.000 0.021 0.000 3/20160 260.0 0.437 0.421 0.318 0.000 0.020 0.000 3/20160 270.0 0.420 0.405 0.306 0.000 0.019 0.000 3/20160 280.0 0.405 0.391 0.295 0.000 0.019 0.000 3/20160 290.0 0.392 0.377 0.285 0.000 0.018 0.000 3/20160 300.0 0.379 0.365 0.275 0.000 0.017 0.000 3/20160 310.0 0.366 0.353 0.266 0.000 0.017 0.000 3/20160 320.0 0.355 0.342 0.258 0.000 0.016 0.000 3/20160 330.0 0.344 0.332 0.250 0.000 0.016 0.000 3/20160 340.0 0.334 0.322 0.242 0.000 0.015 0.000 3/20160 350.0 0.325 0.313 0.235 0.000 0.015 0.000 3/20160 360.0 0.316 0.304 0.229 0.000 0.014 0.000 3/20160 370.0 0.307 0.296 0.222 0.000 0.014 0.000 3/20160 380.0 0.299 0.288 0.216 0.000 0.013 0.000 3/20160 390.0 0.292 0.281 0.211 0.000 0.013 0.000 3/20160 400.0 0.284 0.274 0.205 0.000 0.013 0.000 3/20160 410.0 0.278 0.267 0.200 0.000 0.012 0.000 3/20160 420.0 0.271 0.261 0.196 0.000 0.012 0.000 3/20160 430.0 0.265 0.255 0.191 0.000 0.012 0.000 3/20160 440.0 0.259 0.249 0.187 0.000 0.012 0.000 3/20160 450.0 0.253 0.243 0.182 0.000 0.011 0.000 3/20160 460.0 0.248 0.238 0.178 0.000 0.011 0.000 3/20160 470.0 0.242 0.233 0.175 0.000 0.011 0.000 3/20160 480.0 0.237 0.228 0.171 0.000 0.011 0.000 3/20160 490.0 0.233 0.224 0.167 0.000 0.010 0.000 3/20160 500.0 0.228 0.219 0.164 0.000 0.010 0.000 3/20160 510.0 0.223 0.215 0.161 0.000 0.010 0.000 3/20160 520.0 0.219 0.211 0.158 0.000 0.010 0.000 3/20160 530.0 0.215 0.207 0.155 0.000 0.010 0.000 3/20160 540.0 0.211 0.203 0.152 0.000 0.009 0.000 3/20160 550.0 0.207 0.199 0.149 0.000 0.009 0.000 3/20160 560.0 0.204 0.196 0.146 0.000 0.009 0.000 3/20160 570.0 0.200 0.192 0.144 0.000 0.009 0.000 3/20160 580.0 0.197 0.189 0.141 0.000 0.009 0.000 3/20160 590.0 0.193 0.186 0.139 0.000 0.009 0.000 3/20160 600.0 0.190 0.183 0.137 0.000 0.008 0.000 3/20160 610.0 0.187 0.180 0.134 0.000 0.008 0.000 3/20160 620.0 0.184 0.177 0.132 0.000 0.008 0.000 3/20160 630.0 0.181 0.174 0.130 0.000 0.008 0.000 3/20160 640.0 0.178 0.171 0.128 0.000 0.008 0.000 3/20160 650.0 0.176 0.169 0.126 0.000 0.008 0.000 3/20160 660.0 0.173 0.166 0.124 0.000 0.008 0.000 3/20160 670.0 0.170 0.164 0.122 0.000 0.008 0.000 3/20160 680.0 0.168 0.161 0.120 0.000 0.007 0.000 3/20160 690.0 0.165 0.159 0.119 0.000 0.007 0.000 3/20160 700.0 0.163 0.157 0.117 0.000 0.007 0.000 3/20160 710.0 0.161 0.155 0.115 0.000 0.007 0.000 3/20160 720.0 0.159 0.152 0.114 0.000 0.007 0.000 3/20160 730.0 0.156 0.150 0.112 0.000 0.007 0.000 3/20160 740.0 0.154 0.148 0.111 0.000 0.007 0.000 3/20160 750.0 0.152 0.146 0.109 0.000 0.007 0.000 3/20160 760.0 0.150 0.144 0.108 0.000 0.007 0.000 3/20160 770.0 0.148 0.143 0.106 0.000 0.007 0.000 3/20160 780.0 0.146 0.141 0.105 0.000 0.006 0.000 3/20160 790.0 0.145 0.139 0.104 0.000 0.006 0.000 3/20160 800.0 0.143 0.137 0.102 0.000 0.006 0.000 3/20160 810.0 0.141 0.136 0.101 0.000 0.006 0.000 3/20160 820.0 0.139 0.134 0.100 0.000 0.006 0.000 3/20160 830.0 0.138 0.132 0.099 0.000 0.006 0.000 3/20160 840.0 0.136 0.131 0.097 0.000 0.006 0.000 3/20160 850.0 0.134 0.129 0.096 0.000 0.006 0.000 3/20160 860.0 0.133 0.128 0.095 0.000 0.006 0.000 3/20160 870.0 0.131 0.126 0.094 0.000 0.006 0.000 3/20160 880.0 0.130 0.125 0.093 0.000 0.006 0.000 3/20160 890.0 0.128 0.123 0.092 0.000 0.006 0.000 3/20160 900.0 0.127 0.122 0.091 0.000 0.006 0.000 3/20160 910.0 0.126 0.121 0.090 0.000 0.006 0.000 3/20160 920.0 0.124 0.119 0.089 0.000 0.005 0.000 3/20160 930.0 0.123 0.118 0.088 0.000 0.005 0.000 3/20160 940.0 0.122 0.117 0.087 0.000 0.005 0.000 3/20160 950.0 0.120 0.116 0.086 0.000 0.005 0.000 3/20160 960.0 0.119 0.114 0.085 0.000 0.005 0.000 3/20160 970.0 0.118 0.113 0.084 0.000 0.005 0.000 3/20160 980.0 0.117 0.112 0.084 0.000 0.005 0.000 3/20160 990.0 0.115 0.111 0.083 0.000 0.005 0.000 3/20160 1000.0 0.114 0.110 0.082 0.000 0.005 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m574.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:02:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|