----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:48:48]------------------------- 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 8.629025380752646 0.000000000000000 0.000000000000000 b 0.000000000000000 7.165933450000000 0.000000000000000 c -0.443303658257951 0.000000000000000 10.651457895972424 Atomic positions (fractional): *1 O 0.39607542085214 0.03129730161566 0.63188323548235 15.999 2 O 0.60392457914786 0.53129730161566 0.86811676451765 15.999 3 O 0.60392457914786 0.96870269838434 0.36811676451765 15.999 4 O 0.39607542085214 0.46870269838434 0.13188323548235 15.999 *5 O 0.30213521354050 0.25084669446320 0.96711488043015 15.999 6 O 0.69786478645950 0.75084669446320 0.53288511956985 15.999 7 O 0.69786478645950 0.74915330553680 0.03288511956985 15.999 8 O 0.30213521354050 0.24915330553680 0.46711488043015 15.999 *9 O 0.24595625919943 0.30416320286010 0.68631615311531 15.999 10 O 0.75404374080057 0.80416320286010 0.81368384688469 15.999 11 O 0.75404374080057 0.69583679713990 0.31368384688469 15.999 12 O 0.24595625919943 0.19583679713990 0.18631615311531 15.999 *13 O 0.87677080046947 0.55480182796346 0.93868644030216 15.999 14 O 0.12322919953053 0.05480182796346 0.56131355969784 15.999 15 O 0.12322919953053 0.44519817203654 0.06131355969784 15.999 16 O 0.87677080046947 0.94519817203654 0.43868644030216 15.999 *17 O 0.87518644525638 0.32218941004763 0.48190341488830 15.999 18 O 0.12481355474362 0.82218941004763 0.01809658511170 15.999 19 O 0.12481355474362 0.67781058995237 0.51809658511170 15.999 20 O 0.87518644525638 0.17781058995237 0.98190341488830 15.999 *21 O 0.64983434203119 0.14363637752118 0.10693042315512 15.999 22 O 0.35016565796881 0.64363637752118 0.39306957684488 15.999 23 O 0.35016565796881 0.85636362247882 0.89306957684488 15.999 24 O 0.64983434203119 0.35636362247882 0.60693042315512 15.999 *25 O 0.86461110301331 0.33299129336222 0.18957217836503 15.999 26 O 0.13538889698669 0.83299129336222 0.31042782163497 15.999 27 O 0.13538889698669 0.66700870663778 0.81042782163497 15.999 28 O 0.86461110301331 0.16700870663778 0.68957217836503 15.999 *29 O 0.90129942909298 0.00842102071052 0.17825441482359 15.999 30 O 0.09870057090702 0.50842102071052 0.32174558517641 15.999 31 O 0.09870057090702 0.99157897928948 0.82174558517641 15.999 32 O 0.90129942909298 0.49157897928948 0.67825441482359 15.999 *33 S 0.27417106600835 0.15819544172144 0.58994776173406 32.065 34 S 0.72582893399165 0.65819544172144 0.91005223826594 32.065 35 S 0.72582893399165 0.84180455827856 0.41005223826594 32.065 36 S 0.27417106600835 0.34180455827856 0.08994776173406 32.065 *37 S 0.81678817643280 0.33447382131998 0.60964187120452 32.065 38 S 0.18321182356720 0.83447382131998 0.89035812879548 32.065 39 S 0.18321182356720 0.66552617868002 0.39035812879548 32.065 40 S 0.81678817643280 0.16552617868002 0.10964187120452 32.065 *41 K 0.56447541176972 0.14802682823310 0.84408135997831 39.098 42 K 0.43552458823028 0.64802682823310 0.65591864002169 39.098 43 K 0.43552458823028 0.85197317176690 0.15591864002169 39.098 44 K 0.56447541176972 0.35197317176690 0.34408135997831 39.098 *45 Nd 0.05671215121914 0.33156833254596 0.84883877074622 144.242 46 Nd 0.94328784878086 0.83156833254596 0.65116122925378 144.242 47 Nd 0.94328784878086 0.66843166745404 0.15116122925378 144.242 48 Nd 0.05671215121914 0.16843166745404 0.34883877074622 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.629025380752646 0.000000000000000 0.000000000000000 b 0.000000000000000 7.165933450000000 0.000000000000000 c -0.443303658257951 0.000000000000000 10.651457895972424 Atomic positions (fractional): *1 O 0.39607542085214 0.03129730161566 0.63188323548235 15.999 > 1 2 O 0.60392457914786 0.53129730161566 0.86811676451765 15.999 > 2 3 O 0.60392457914786 0.96870269838434 0.36811676451765 15.999 > 3 4 O 0.39607542085214 0.46870269838434 0.13188323548235 15.999 > 4 *5 O 0.30213521354050 0.25084669446320 0.96711488043015 15.999 > 5 6 O 0.69786478645950 0.75084669446320 0.53288511956985 15.999 > 6 7 O 0.69786478645950 0.74915330553680 0.03288511956985 15.999 > 7 8 O 0.30213521354050 0.24915330553680 0.46711488043015 15.999 > 8 *9 O 0.24595625919943 0.30416320286010 0.68631615311531 15.999 > 9 10 O 0.75404374080057 0.80416320286010 0.81368384688469 15.999 > 10 11 O 0.75404374080057 0.69583679713990 0.31368384688469 15.999 > 11 12 O 0.24595625919943 0.19583679713990 0.18631615311531 15.999 > 12 *13 O 0.87677080046947 0.55480182796346 0.93868644030216 15.999 > 13 14 O 0.12322919953053 0.05480182796346 0.56131355969784 15.999 > 14 15 O 0.12322919953053 0.44519817203654 0.06131355969784 15.999 > 15 16 O 0.87677080046947 0.94519817203654 0.43868644030216 15.999 > 16 *17 O 0.87518644525638 0.32218941004763 0.48190341488830 15.999 > 17 18 O 0.12481355474362 0.82218941004763 0.01809658511170 15.999 > 18 19 O 0.12481355474362 0.67781058995237 0.51809658511170 15.999 > 19 20 O 0.87518644525638 0.17781058995237 0.98190341488830 15.999 > 20 *21 O 0.64983434203119 0.14363637752118 0.10693042315512 15.999 > 21 22 O 0.35016565796881 0.64363637752118 0.39306957684488 15.999 > 22 23 O 0.35016565796881 0.85636362247882 0.89306957684488 15.999 > 23 24 O 0.64983434203119 0.35636362247882 0.60693042315512 15.999 > 24 *25 O 0.86461110301331 0.33299129336222 0.18957217836503 15.999 > 25 26 O 0.13538889698669 0.83299129336222 0.31042782163497 15.999 > 26 27 O 0.13538889698669 0.66700870663778 0.81042782163497 15.999 > 27 28 O 0.86461110301331 0.16700870663778 0.68957217836503 15.999 > 28 *29 O 0.90129942909298 0.00842102071052 0.17825441482359 15.999 > 29 30 O 0.09870057090702 0.50842102071052 0.32174558517641 15.999 > 30 31 O 0.09870057090702 0.99157897928948 0.82174558517641 15.999 > 31 32 O 0.90129942909298 0.49157897928948 0.67825441482359 15.999 > 32 *33 S 0.27417106600835 0.15819544172144 0.58994776173406 32.065 > 33 34 S 0.72582893399165 0.65819544172144 0.91005223826594 32.065 > 34 35 S 0.72582893399165 0.84180455827856 0.41005223826594 32.065 > 35 36 S 0.27417106600835 0.34180455827856 0.08994776173406 32.065 > 36 *37 S 0.81678817643280 0.33447382131998 0.60964187120452 32.065 > 37 38 S 0.18321182356720 0.83447382131998 0.89035812879548 32.065 > 38 39 S 0.18321182356720 0.66552617868002 0.39035812879548 32.065 > 39 40 S 0.81678817643280 0.16552617868002 0.10964187120452 32.065 > 40 *41 K 0.56447541176972 0.14802682823310 0.84408135997831 39.098 > 41 42 K 0.43552458823028 0.64802682823310 0.65591864002169 39.098 > 42 43 K 0.43552458823028 0.85197317176690 0.15591864002169 39.098 > 43 44 K 0.56447541176972 0.35197317176690 0.34408135997831 39.098 > 44 *45 Nd 0.05671215121914 0.33156833254596 0.84883877074622 144.242 > 45 46 Nd 0.94328784878086 0.83156833254596 0.65116122925378 144.242 > 46 47 Nd 0.94328784878086 0.66843166745404 0.15116122925378 144.242 > 47 48 Nd 0.05671215121914 0.16843166745404 0.34883877074622 144.242 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.629025380752646 0.000000000000000 0.000000000000000 b 0.000000000000000 14.331866900000000 0.000000000000000 c -0.443303658257951 0.000000000000000 10.651457895972424 Atomic positions (fractional): *1 O 0.39607542085214 0.01564865080783 0.63188323548235 15.999 > 1 2 O 0.39607542085214 0.51564865080783 0.63188323548235 15.999 > 1 3 O 0.60392457914786 0.26564865080783 0.86811676451765 15.999 > 2 4 O 0.60392457914786 0.76564865080783 0.86811676451765 15.999 > 2 5 O 0.60392457914786 0.48435134919217 0.36811676451765 15.999 > 3 6 O 0.60392457914786 0.98435134919217 0.36811676451765 15.999 > 3 7 O 0.39607542085214 0.23435134919217 0.13188323548235 15.999 > 4 8 O 0.39607542085214 0.73435134919217 0.13188323548235 15.999 > 4 *9 O 0.30213521354050 0.12542334723160 0.96711488043015 15.999 > 5 10 O 0.30213521354050 0.62542334723160 0.96711488043015 15.999 > 5 11 O 0.69786478645950 0.37542334723160 0.53288511956985 15.999 > 6 12 O 0.69786478645950 0.87542334723160 0.53288511956985 15.999 > 6 13 O 0.69786478645950 0.37457665276840 0.03288511956985 15.999 > 7 14 O 0.69786478645950 0.87457665276840 0.03288511956985 15.999 > 7 15 O 0.30213521354050 0.12457665276840 0.46711488043015 15.999 > 8 16 O 0.30213521354050 0.62457665276840 0.46711488043015 15.999 > 8 *17 O 0.24595625919943 0.15208160143005 0.68631615311531 15.999 > 9 18 O 0.24595625919943 0.65208160143005 0.68631615311531 15.999 > 9 19 O 0.75404374080057 0.40208160143005 0.81368384688469 15.999 > 10 20 O 0.75404374080057 0.90208160143005 0.81368384688469 15.999 > 10 21 O 0.75404374080057 0.34791839856995 0.31368384688469 15.999 > 11 22 O 0.75404374080057 0.84791839856995 0.31368384688469 15.999 > 11 23 O 0.24595625919943 0.09791839856995 0.18631615311531 15.999 > 12 24 O 0.24595625919943 0.59791839856995 0.18631615311531 15.999 > 12 *25 O 0.87677080046947 0.27740091398173 0.93868644030216 15.999 > 13 26 O 0.87677080046947 0.77740091398173 0.93868644030216 15.999 > 13 27 O 0.12322919953053 0.02740091398173 0.56131355969784 15.999 > 14 28 O 0.12322919953053 0.52740091398173 0.56131355969784 15.999 > 14 29 O 0.12322919953053 0.22259908601827 0.06131355969784 15.999 > 15 30 O 0.12322919953053 0.72259908601827 0.06131355969784 15.999 > 15 31 O 0.87677080046947 0.47259908601827 0.43868644030216 15.999 > 16 32 O 0.87677080046947 0.97259908601827 0.43868644030216 15.999 > 16 *33 O 0.87518644525638 0.16109470502381 0.48190341488830 15.999 > 17 34 O 0.87518644525638 0.66109470502381 0.48190341488830 15.999 > 17 35 O 0.12481355474362 0.41109470502381 0.01809658511170 15.999 > 18 36 O 0.12481355474362 0.91109470502381 0.01809658511170 15.999 > 18 37 O 0.12481355474362 0.33890529497619 0.51809658511170 15.999 > 19 38 O 0.12481355474362 0.83890529497619 0.51809658511170 15.999 > 19 39 O 0.87518644525638 0.08890529497619 0.98190341488830 15.999 > 20 40 O 0.87518644525638 0.58890529497619 0.98190341488830 15.999 > 20 *41 O 0.64983434203119 0.07181818876059 0.10693042315512 15.999 > 21 42 O 0.64983434203119 0.57181818876059 0.10693042315512 15.999 > 21 43 O 0.35016565796881 0.32181818876059 0.39306957684488 15.999 > 22 44 O 0.35016565796881 0.82181818876059 0.39306957684488 15.999 > 22 45 O 0.35016565796881 0.42818181123941 0.89306957684488 15.999 > 23 46 O 0.35016565796881 0.92818181123941 0.89306957684488 15.999 > 23 47 O 0.64983434203119 0.17818181123941 0.60693042315512 15.999 > 24 48 O 0.64983434203119 0.67818181123941 0.60693042315512 15.999 > 24 *49 O 0.86461110301331 0.16649564668111 0.18957217836503 15.999 > 25 50 O 0.86461110301331 0.66649564668111 0.18957217836503 15.999 > 25 51 O 0.13538889698669 0.41649564668111 0.31042782163497 15.999 > 26 52 O 0.13538889698669 0.91649564668111 0.31042782163497 15.999 > 26 53 O 0.13538889698669 0.33350435331889 0.81042782163497 15.999 > 27 54 O 0.13538889698669 0.83350435331889 0.81042782163497 15.999 > 27 55 O 0.86461110301331 0.08350435331889 0.68957217836503 15.999 > 28 56 O 0.86461110301331 0.58350435331889 0.68957217836503 15.999 > 28 *57 O 0.90129942909298 0.00421051035526 0.17825441482359 15.999 > 29 58 O 0.90129942909298 0.50421051035526 0.17825441482359 15.999 > 29 59 O 0.09870057090702 0.25421051035526 0.32174558517641 15.999 > 30 60 O 0.09870057090702 0.75421051035526 0.32174558517641 15.999 > 30 61 O 0.09870057090702 0.49578948964474 0.82174558517641 15.999 > 31 62 O 0.09870057090702 0.99578948964474 0.82174558517641 15.999 > 31 63 O 0.90129942909298 0.24578948964474 0.67825441482359 15.999 > 32 64 O 0.90129942909298 0.74578948964474 0.67825441482359 15.999 > 32 *65 S 0.27417106600835 0.07909772086072 0.58994776173406 32.065 > 33 66 S 0.27417106600835 0.57909772086072 0.58994776173406 32.065 > 33 67 S 0.72582893399165 0.32909772086072 0.91005223826594 32.065 > 34 68 S 0.72582893399165 0.82909772086072 0.91005223826594 32.065 > 34 69 S 0.72582893399165 0.42090227913928 0.41005223826594 32.065 > 35 70 S 0.72582893399165 0.92090227913928 0.41005223826594 32.065 > 35 71 S 0.27417106600835 0.17090227913928 0.08994776173406 32.065 > 36 72 S 0.27417106600835 0.67090227913928 0.08994776173406 32.065 > 36 *73 S 0.81678817643280 0.16723691065999 0.60964187120452 32.065 > 37 74 S 0.81678817643280 0.66723691065999 0.60964187120452 32.065 > 37 75 S 0.18321182356720 0.41723691065999 0.89035812879548 32.065 > 38 76 S 0.18321182356720 0.91723691065999 0.89035812879548 32.065 > 38 77 S 0.18321182356720 0.33276308934001 0.39035812879548 32.065 > 39 78 S 0.18321182356720 0.83276308934001 0.39035812879548 32.065 > 39 79 S 0.81678817643280 0.08276308934001 0.10964187120452 32.065 > 40 80 S 0.81678817643280 0.58276308934001 0.10964187120452 32.065 > 40 *81 K 0.56447541176972 0.07401341411655 0.84408135997831 39.098 > 41 82 K 0.56447541176972 0.57401341411655 0.84408135997831 39.098 > 41 83 K 0.43552458823028 0.32401341411655 0.65591864002169 39.098 > 42 84 K 0.43552458823028 0.82401341411655 0.65591864002169 39.098 > 42 85 K 0.43552458823028 0.42598658588345 0.15591864002169 39.098 > 43 86 K 0.43552458823028 0.92598658588345 0.15591864002169 39.098 > 43 87 K 0.56447541176972 0.17598658588345 0.34408135997831 39.098 > 44 88 K 0.56447541176972 0.67598658588345 0.34408135997831 39.098 > 44 *89 Nd 0.05671215121914 0.16578416627298 0.84883877074622 144.242 > 45 90 Nd 0.05671215121914 0.66578416627298 0.84883877074622 144.242 > 45 91 Nd 0.94328784878086 0.41578416627298 0.65116122925378 144.242 > 46 92 Nd 0.94328784878086 0.91578416627298 0.65116122925378 144.242 > 46 93 Nd 0.94328784878086 0.33421583372702 0.15116122925378 144.242 > 47 94 Nd 0.94328784878086 0.83421583372702 0.15116122925378 144.242 > 47 95 Nd 0.05671215121914 0.08421583372702 0.34883877074622 144.242 > 48 96 Nd 0.05671215121914 0.58421583372702 0.34883877074622 144.242 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6891048 0.0000000 0.0660017 0.0000000 2.7463474 0.0000000 0.0660026 0.0000000 2.9508501 -------------------------- Born effective charges -------------------------- 1 O -1.4952846 0.5408323 -0.3409918 0.3895993 -1.2641541 0.1625198 -0.3305709 0.1454552 -1.0906466 2 O -1.4952846 -0.5408323 -0.3409918 -0.3895993 -1.2641541 -0.1625198 -0.3305709 -0.1454552 -1.0906466 3 O -1.4952846 0.5408323 -0.3409918 0.3895993 -1.2641541 0.1625198 -0.3305709 0.1454552 -1.0906466 4 O -1.4952846 -0.5408323 -0.3409918 -0.3895993 -1.2641541 -0.1625198 -0.3305709 -0.1454552 -1.0906466 5 O -1.2806316 0.1343610 -0.0585097 0.1740000 -1.0742465 -0.3791488 -0.1879150 -0.3582872 -2.1161737 6 O -1.2806316 -0.1343610 -0.0585097 -0.1740000 -1.0742465 0.3791488 -0.1879150 0.3582872 -2.1161737 7 O -1.2806316 0.1343610 -0.0585097 0.1740000 -1.0742465 -0.3791488 -0.1879150 -0.3582872 -2.1161737 8 O -1.2806316 -0.1343610 -0.0585097 -0.1740000 -1.0742465 0.3791488 -0.1879150 0.3582872 -2.1161737 9 O -1.2160273 0.2203947 0.4084566 0.2710457 -1.5109225 -0.7391692 0.6152144 -0.8238348 -2.1388356 10 O -1.2160273 -0.2203947 0.4084566 -0.2710457 -1.5109225 0.7391692 0.6152144 0.8238348 -2.1388356 11 O -1.2160273 0.2203947 0.4084566 0.2710457 -1.5109225 -0.7391692 0.6152144 -0.8238348 -2.1388356 12 O -1.2160273 -0.2203947 0.4084566 -0.2710457 -1.5109225 0.7391692 0.6152144 0.8238348 -2.1388356 13 O -1.9103518 0.6239990 -0.3060548 0.7919542 -1.4770389 -0.0962606 -0.2951734 -0.0272066 -1.5933118 14 O -1.9103518 -0.6239990 -0.3060548 -0.7919542 -1.4770389 0.0962606 -0.2951734 0.0272066 -1.5933118 15 O -1.9103518 0.6239990 -0.3060548 0.7919542 -1.4770389 -0.0962606 -0.2951734 -0.0272066 -1.5933118 16 O -1.9103518 -0.6239990 -0.3060548 -0.7919542 -1.4770389 0.0962606 -0.2951734 0.0272066 -1.5933118 17 O -1.2572260 0.1907244 0.5669978 0.2764836 -1.0170621 -0.3980576 0.8026954 -0.3021643 -2.3826765 18 O -1.2572260 -0.1907244 0.5669978 -0.2764836 -1.0170621 0.3980576 0.8026954 0.3021643 -2.3826765 19 O -1.2572260 0.1907244 0.5669978 0.2764836 -1.0170621 -0.3980576 0.8026954 -0.3021643 -2.3826765 20 O -1.2572260 -0.1907244 0.5669978 -0.2764836 -1.0170621 0.3980576 0.8026954 0.3021643 -2.3826765 21 O -1.9246552 -0.1256523 -0.0453279 -0.2171555 -0.9122663 0.0335450 -0.0856142 -0.0339747 -1.0246529 22 O -1.9246552 0.1256523 -0.0453279 0.2171555 -0.9122663 -0.0335450 -0.0856142 0.0339747 -1.0246529 23 O -1.9246552 -0.1256523 -0.0453279 -0.2171555 -0.9122663 0.0335450 -0.0856142 -0.0339747 -1.0246529 24 O -1.9246552 0.1256523 -0.0453279 0.2171555 -0.9122663 -0.0335450 -0.0856142 0.0339747 -1.0246529 25 O -1.0990119 -0.2705827 -0.2986882 -0.3316957 -2.3262426 -0.4163865 -0.4021928 -0.3294804 -1.6285958 26 O -1.0990119 0.2705827 -0.2986882 0.3316957 -2.3262426 0.4163865 -0.4021928 0.3294804 -1.6285958 27 O -1.0990119 -0.2705827 -0.2986882 -0.3316957 -2.3262426 -0.4163865 -0.4021928 -0.3294804 -1.6285958 28 O -1.0990119 0.2705827 -0.2986882 0.3316957 -2.3262426 0.4163865 -0.4021928 0.3294804 -1.6285958 29 O -1.1679622 0.3210003 -0.4328892 0.4955643 -2.3719413 0.3868208 -0.5432643 0.2417092 -1.6480923 30 O -1.1679622 -0.3210003 -0.4328892 -0.4955643 -2.3719413 -0.3868208 -0.5432643 -0.2417092 -1.6480923 31 O -1.1679622 0.3210003 -0.4328892 0.4955643 -2.3719413 0.3868208 -0.5432643 0.2417092 -1.6480923 32 O -1.1679622 -0.3210003 -0.4328892 -0.4955643 -2.3719413 -0.3868208 -0.5432643 -0.2417092 -1.6480923 33 S 3.3458720 -0.2637625 0.3093257 0.1025977 3.1698293 0.2206945 0.2594387 0.3966009 3.9063836 34 S 3.3458720 0.2637625 0.3093257 -0.1025977 3.1698293 -0.2206945 0.2594387 -0.3966009 3.9063836 35 S 3.3458720 -0.2637625 0.3093257 0.1025977 3.1698293 0.2206945 0.2594387 0.3966009 3.9063836 36 S 3.3458720 0.2637625 0.3093257 -0.1025977 3.1698293 -0.2206945 0.2594387 -0.3966009 3.9063836 37 S 3.2649951 -0.0586483 0.1074117 -0.0996570 3.5106532 0.2377812 0.1602839 -0.0161264 3.8834701 38 S 3.2649951 0.0586483 0.1074117 0.0996570 3.5106532 -0.2377812 0.1602839 0.0161264 3.8834701 39 S 3.2649951 -0.0586483 0.1074117 -0.0996570 3.5106532 0.2377812 0.1602839 -0.0161264 3.8834701 40 S 3.2649951 0.0586483 0.1074117 0.0996570 3.5106532 -0.2377812 0.1602839 0.0161264 3.8834701 41 K 1.4978593 0.1541620 0.0690508 0.0170216 1.2137806 0.0005888 0.0535412 0.0427071 1.2465578 42 K 1.4978593 -0.1541620 0.0690508 -0.0170216 1.2137806 -0.0005888 0.0535412 -0.0427071 1.2465578 43 K 1.4978593 0.1541620 0.0690508 0.0170216 1.2137806 0.0005888 0.0535412 0.0427071 1.2465578 44 K 1.4978593 -0.1541620 0.0690508 -0.0170216 1.2137806 -0.0005888 0.0535412 -0.0427071 1.2465578 45 Nd 3.2424242 -0.2339801 0.0212187 -0.3338956 4.0596112 0.3155836 -0.0464432 -0.0030900 4.5865737 46 Nd 3.2424242 0.2339801 0.0212187 0.3338956 4.0596112 -0.3155836 -0.0464432 0.0030900 4.5865737 47 Nd 3.2424242 -0.2339801 0.0212187 -0.3338956 4.0596112 0.3155836 -0.0464432 -0.0030900 4.5865737 48 Nd 3.2424242 0.2339801 0.0212187 0.3338956 4.0596112 -0.3155836 -0.0464432 0.0030900 4.5865737 ---------------------------------------------------------------------------- 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) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 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) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 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, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), 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, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), 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: 3.320 Solver_block: 200 / 1440 - Time: 1.327 Solver_block: 300 / 1440 - Time: 1.975 Solver_block: 400 / 1440 - Time: 1.933 Solver_block: 500 / 1440 - Time: 1.024 Solver_block: 600 / 1440 - Time: 1.260 Solver_block: 700 / 1440 - Time: 2.138 Solver_block: 800 / 1440 - Time: 1.713 Solver_block: 900 / 1440 - Time: 1.179 Solver_block: 1000 / 1440 - Time: 1.489 Solver_block: 1100 / 1440 - Time: 1.860 Solver_block: 1200 / 1440 - Time: 2.555 Solver_block: 1300 / 1440 - Time: 2.098 Solver_block: 1400 / 1440 - Time: 1.451 Solver_block: 1440 / 1440 - Time: 1.409 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 27.928 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 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) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 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, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), 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, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:50:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:50:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.629025380752646 0.000000000000000 0.000000000000000 b 0.000000000000000 7.165933450000000 0.000000000000000 c -0.443303658257951 0.000000000000000 10.651457895972424 Atomic positions (fractional): 1 O 0.39607542085214 0.03129730161566 0.63188323548235 15.999 2 O 0.60392457914786 0.53129730161566 0.86811676451765 15.999 3 O 0.60392457914786 0.96870269838434 0.36811676451765 15.999 4 O 0.39607542085214 0.46870269838434 0.13188323548235 15.999 5 O 0.30213521354050 0.25084669446320 0.96711488043015 15.999 6 O 0.69786478645950 0.75084669446320 0.53288511956985 15.999 7 O 0.69786478645950 0.74915330553680 0.03288511956985 15.999 8 O 0.30213521354050 0.24915330553680 0.46711488043015 15.999 9 O 0.24595625919943 0.30416320286010 0.68631615311531 15.999 10 O 0.75404374080057 0.80416320286010 0.81368384688469 15.999 11 O 0.75404374080057 0.69583679713990 0.31368384688469 15.999 12 O 0.24595625919943 0.19583679713990 0.18631615311531 15.999 13 O 0.87677080046947 0.55480182796346 0.93868644030216 15.999 14 O 0.12322919953053 0.05480182796346 0.56131355969784 15.999 15 O 0.12322919953053 0.44519817203654 0.06131355969784 15.999 16 O 0.87677080046947 0.94519817203654 0.43868644030216 15.999 17 O 0.87518644525638 0.32218941004763 0.48190341488830 15.999 18 O 0.12481355474362 0.82218941004763 0.01809658511170 15.999 19 O 0.12481355474362 0.67781058995237 0.51809658511170 15.999 20 O 0.87518644525638 0.17781058995237 0.98190341488830 15.999 21 O 0.64983434203119 0.14363637752118 0.10693042315512 15.999 22 O 0.35016565796881 0.64363637752118 0.39306957684488 15.999 23 O 0.35016565796881 0.85636362247882 0.89306957684488 15.999 24 O 0.64983434203119 0.35636362247882 0.60693042315512 15.999 25 O 0.86461110301331 0.33299129336222 0.18957217836503 15.999 26 O 0.13538889698669 0.83299129336222 0.31042782163497 15.999 27 O 0.13538889698669 0.66700870663778 0.81042782163497 15.999 28 O 0.86461110301331 0.16700870663778 0.68957217836503 15.999 29 O 0.90129942909298 0.00842102071052 0.17825441482359 15.999 30 O 0.09870057090702 0.50842102071052 0.32174558517641 15.999 31 O 0.09870057090702 0.99157897928948 0.82174558517641 15.999 32 O 0.90129942909298 0.49157897928948 0.67825441482359 15.999 33 S 0.27417106600835 0.15819544172144 0.58994776173406 32.065 34 S 0.72582893399165 0.65819544172144 0.91005223826594 32.065 35 S 0.72582893399165 0.84180455827856 0.41005223826594 32.065 36 S 0.27417106600835 0.34180455827856 0.08994776173406 32.065 37 S 0.81678817643280 0.33447382131998 0.60964187120452 32.065 38 S 0.18321182356720 0.83447382131998 0.89035812879548 32.065 39 S 0.18321182356720 0.66552617868002 0.39035812879548 32.065 40 S 0.81678817643280 0.16552617868002 0.10964187120452 32.065 41 K 0.56447541176972 0.14802682823310 0.84408135997831 39.098 42 K 0.43552458823028 0.64802682823310 0.65591864002169 39.098 43 K 0.43552458823028 0.85197317176690 0.15591864002169 39.098 44 K 0.56447541176972 0.35197317176690 0.34408135997831 39.098 45 Nd 0.05671215121914 0.33156833254596 0.84883877074622 144.242 46 Nd 0.94328784878086 0.83156833254596 0.65116122925378 144.242 47 Nd 0.94328784878086 0.66843166745404 0.15116122925378 144.242 48 Nd 0.05671215121914 0.16843166745404 0.34883877074622 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.629025380752646 0.000000000000000 0.000000000000000 b 0.000000000000000 14.331866900000000 0.000000000000000 c -0.443303658257951 0.000000000000000 10.651457895972424 Atomic positions (fractional): 1 O 0.39607542085214 0.01564865080783 0.63188323548235 15.999 > 1 2 O 0.39607542085214 0.51564865080783 0.63188323548235 15.999 > 1 3 O 0.60392457914786 0.26564865080783 0.86811676451765 15.999 > 3 4 O 0.60392457914786 0.76564865080783 0.86811676451765 15.999 > 3 5 O 0.60392457914786 0.48435134919217 0.36811676451765 15.999 > 5 6 O 0.60392457914786 0.98435134919217 0.36811676451765 15.999 > 5 7 O 0.39607542085214 0.23435134919217 0.13188323548235 15.999 > 7 8 O 0.39607542085214 0.73435134919217 0.13188323548235 15.999 > 7 9 O 0.30213521354050 0.12542334723160 0.96711488043015 15.999 > 9 10 O 0.30213521354050 0.62542334723160 0.96711488043015 15.999 > 9 11 O 0.69786478645950 0.37542334723160 0.53288511956985 15.999 > 11 12 O 0.69786478645950 0.87542334723160 0.53288511956985 15.999 > 11 13 O 0.69786478645950 0.37457665276840 0.03288511956985 15.999 > 13 14 O 0.69786478645950 0.87457665276840 0.03288511956985 15.999 > 13 15 O 0.30213521354050 0.12457665276840 0.46711488043015 15.999 > 15 16 O 0.30213521354050 0.62457665276840 0.46711488043015 15.999 > 15 17 O 0.24595625919943 0.15208160143005 0.68631615311531 15.999 > 17 18 O 0.24595625919943 0.65208160143005 0.68631615311531 15.999 > 17 19 O 0.75404374080057 0.40208160143005 0.81368384688469 15.999 > 19 20 O 0.75404374080057 0.90208160143005 0.81368384688469 15.999 > 19 21 O 0.75404374080057 0.34791839856995 0.31368384688469 15.999 > 21 22 O 0.75404374080057 0.84791839856995 0.31368384688469 15.999 > 21 23 O 0.24595625919943 0.09791839856995 0.18631615311531 15.999 > 23 24 O 0.24595625919943 0.59791839856995 0.18631615311531 15.999 > 23 25 O 0.87677080046947 0.27740091398173 0.93868644030216 15.999 > 25 26 O 0.87677080046947 0.77740091398173 0.93868644030216 15.999 > 25 27 O 0.12322919953053 0.02740091398173 0.56131355969784 15.999 > 27 28 O 0.12322919953053 0.52740091398173 0.56131355969784 15.999 > 27 29 O 0.12322919953053 0.22259908601827 0.06131355969784 15.999 > 29 30 O 0.12322919953053 0.72259908601827 0.06131355969784 15.999 > 29 31 O 0.87677080046947 0.47259908601827 0.43868644030216 15.999 > 31 32 O 0.87677080046947 0.97259908601827 0.43868644030216 15.999 > 31 33 O 0.87518644525638 0.16109470502381 0.48190341488830 15.999 > 33 34 O 0.87518644525638 0.66109470502381 0.48190341488830 15.999 > 33 35 O 0.12481355474362 0.41109470502381 0.01809658511170 15.999 > 35 36 O 0.12481355474362 0.91109470502381 0.01809658511170 15.999 > 35 37 O 0.12481355474362 0.33890529497619 0.51809658511170 15.999 > 37 38 O 0.12481355474362 0.83890529497619 0.51809658511170 15.999 > 37 39 O 0.87518644525638 0.08890529497619 0.98190341488830 15.999 > 39 40 O 0.87518644525638 0.58890529497619 0.98190341488830 15.999 > 39 41 O 0.64983434203119 0.07181818876059 0.10693042315512 15.999 > 41 42 O 0.64983434203119 0.57181818876059 0.10693042315512 15.999 > 41 43 O 0.35016565796881 0.32181818876059 0.39306957684488 15.999 > 43 44 O 0.35016565796881 0.82181818876059 0.39306957684488 15.999 > 43 45 O 0.35016565796881 0.42818181123941 0.89306957684488 15.999 > 45 46 O 0.35016565796881 0.92818181123941 0.89306957684488 15.999 > 45 47 O 0.64983434203119 0.17818181123941 0.60693042315512 15.999 > 47 48 O 0.64983434203119 0.67818181123941 0.60693042315512 15.999 > 47 49 O 0.86461110301331 0.16649564668111 0.18957217836503 15.999 > 49 50 O 0.86461110301331 0.66649564668111 0.18957217836503 15.999 > 49 51 O 0.13538889698669 0.41649564668111 0.31042782163497 15.999 > 51 52 O 0.13538889698669 0.91649564668111 0.31042782163497 15.999 > 51 53 O 0.13538889698669 0.33350435331889 0.81042782163497 15.999 > 53 54 O 0.13538889698669 0.83350435331889 0.81042782163497 15.999 > 53 55 O 0.86461110301331 0.08350435331889 0.68957217836503 15.999 > 55 56 O 0.86461110301331 0.58350435331889 0.68957217836503 15.999 > 55 57 O 0.90129942909298 0.00421051035526 0.17825441482359 15.999 > 57 58 O 0.90129942909298 0.50421051035526 0.17825441482359 15.999 > 57 59 O 0.09870057090702 0.25421051035526 0.32174558517641 15.999 > 59 60 O 0.09870057090702 0.75421051035526 0.32174558517641 15.999 > 59 61 O 0.09870057090702 0.49578948964474 0.82174558517641 15.999 > 61 62 O 0.09870057090702 0.99578948964474 0.82174558517641 15.999 > 61 63 O 0.90129942909298 0.24578948964474 0.67825441482359 15.999 > 63 64 O 0.90129942909298 0.74578948964474 0.67825441482359 15.999 > 63 65 S 0.27417106600835 0.07909772086072 0.58994776173406 32.065 > 65 66 S 0.27417106600835 0.57909772086072 0.58994776173406 32.065 > 65 67 S 0.72582893399165 0.32909772086072 0.91005223826594 32.065 > 67 68 S 0.72582893399165 0.82909772086072 0.91005223826594 32.065 > 67 69 S 0.72582893399165 0.42090227913928 0.41005223826594 32.065 > 69 70 S 0.72582893399165 0.92090227913928 0.41005223826594 32.065 > 69 71 S 0.27417106600835 0.17090227913928 0.08994776173406 32.065 > 71 72 S 0.27417106600835 0.67090227913928 0.08994776173406 32.065 > 71 73 S 0.81678817643280 0.16723691065999 0.60964187120452 32.065 > 73 74 S 0.81678817643280 0.66723691065999 0.60964187120452 32.065 > 73 75 S 0.18321182356720 0.41723691065999 0.89035812879548 32.065 > 75 76 S 0.18321182356720 0.91723691065999 0.89035812879548 32.065 > 75 77 S 0.18321182356720 0.33276308934001 0.39035812879548 32.065 > 77 78 S 0.18321182356720 0.83276308934001 0.39035812879548 32.065 > 77 79 S 0.81678817643280 0.08276308934001 0.10964187120452 32.065 > 79 80 S 0.81678817643280 0.58276308934001 0.10964187120452 32.065 > 79 81 K 0.56447541176972 0.07401341411655 0.84408135997831 39.098 > 81 82 K 0.56447541176972 0.57401341411655 0.84408135997831 39.098 > 81 83 K 0.43552458823028 0.32401341411655 0.65591864002169 39.098 > 83 84 K 0.43552458823028 0.82401341411655 0.65591864002169 39.098 > 83 85 K 0.43552458823028 0.42598658588345 0.15591864002169 39.098 > 85 86 K 0.43552458823028 0.92598658588345 0.15591864002169 39.098 > 85 87 K 0.56447541176972 0.17598658588345 0.34408135997831 39.098 > 87 88 K 0.56447541176972 0.67598658588345 0.34408135997831 39.098 > 87 89 Nd 0.05671215121914 0.16578416627298 0.84883877074622 144.242 > 89 90 Nd 0.05671215121914 0.66578416627298 0.84883877074622 144.242 > 89 91 Nd 0.94328784878086 0.41578416627298 0.65116122925378 144.242 > 91 92 Nd 0.94328784878086 0.91578416627298 0.65116122925378 144.242 > 91 93 Nd 0.94328784878086 0.33421583372702 0.15116122925378 144.242 > 93 94 Nd 0.94328784878086 0.83421583372702 0.15116122925378 144.242 > 93 95 Nd 0.05671215121914 0.08421583372702 0.34883877074622 144.242 > 95 96 Nd 0.05671215121914 0.58421583372702 0.34883877074622 144.242 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6891048 0.0000000 0.0660017 0.0000000 2.7463474 0.0000000 0.0660026 0.0000000 2.9508501 -------------------------- Born effective charges -------------------------- 1 O -1.4952846 0.5408323 -0.3409918 0.3895993 -1.2641541 0.1625198 -0.3305709 0.1454552 -1.0906466 2 O -1.4952846 -0.5408323 -0.3409918 -0.3895993 -1.2641541 -0.1625198 -0.3305709 -0.1454552 -1.0906466 3 O -1.4952846 0.5408323 -0.3409918 0.3895993 -1.2641541 0.1625198 -0.3305709 0.1454552 -1.0906466 4 O -1.4952846 -0.5408323 -0.3409918 -0.3895993 -1.2641541 -0.1625198 -0.3305709 -0.1454552 -1.0906466 5 O -1.2806316 0.1343610 -0.0585097 0.1740000 -1.0742465 -0.3791488 -0.1879150 -0.3582872 -2.1161737 6 O -1.2806316 -0.1343610 -0.0585097 -0.1740000 -1.0742465 0.3791488 -0.1879150 0.3582872 -2.1161737 7 O -1.2806316 0.1343610 -0.0585097 0.1740000 -1.0742465 -0.3791488 -0.1879150 -0.3582872 -2.1161737 8 O -1.2806316 -0.1343610 -0.0585097 -0.1740000 -1.0742465 0.3791488 -0.1879150 0.3582872 -2.1161737 9 O -1.2160273 0.2203947 0.4084566 0.2710457 -1.5109225 -0.7391692 0.6152144 -0.8238348 -2.1388356 10 O -1.2160273 -0.2203947 0.4084566 -0.2710457 -1.5109225 0.7391692 0.6152144 0.8238348 -2.1388356 11 O -1.2160273 0.2203947 0.4084566 0.2710457 -1.5109225 -0.7391692 0.6152144 -0.8238348 -2.1388356 12 O -1.2160273 -0.2203947 0.4084566 -0.2710457 -1.5109225 0.7391692 0.6152144 0.8238348 -2.1388356 13 O -1.9103518 0.6239990 -0.3060548 0.7919542 -1.4770389 -0.0962606 -0.2951734 -0.0272066 -1.5933118 14 O -1.9103518 -0.6239990 -0.3060548 -0.7919542 -1.4770389 0.0962606 -0.2951734 0.0272066 -1.5933118 15 O -1.9103518 0.6239990 -0.3060548 0.7919542 -1.4770389 -0.0962606 -0.2951734 -0.0272066 -1.5933118 16 O -1.9103518 -0.6239990 -0.3060548 -0.7919542 -1.4770389 0.0962606 -0.2951734 0.0272066 -1.5933118 17 O -1.2572260 0.1907244 0.5669978 0.2764836 -1.0170621 -0.3980576 0.8026954 -0.3021643 -2.3826765 18 O -1.2572260 -0.1907244 0.5669978 -0.2764836 -1.0170621 0.3980576 0.8026954 0.3021643 -2.3826765 19 O -1.2572260 0.1907244 0.5669978 0.2764836 -1.0170621 -0.3980576 0.8026954 -0.3021643 -2.3826765 20 O -1.2572260 -0.1907244 0.5669978 -0.2764836 -1.0170621 0.3980576 0.8026954 0.3021643 -2.3826765 21 O -1.9246552 -0.1256523 -0.0453279 -0.2171555 -0.9122663 0.0335450 -0.0856142 -0.0339747 -1.0246529 22 O -1.9246552 0.1256523 -0.0453279 0.2171555 -0.9122663 -0.0335450 -0.0856142 0.0339747 -1.0246529 23 O -1.9246552 -0.1256523 -0.0453279 -0.2171555 -0.9122663 0.0335450 -0.0856142 -0.0339747 -1.0246529 24 O -1.9246552 0.1256523 -0.0453279 0.2171555 -0.9122663 -0.0335450 -0.0856142 0.0339747 -1.0246529 25 O -1.0990119 -0.2705827 -0.2986882 -0.3316957 -2.3262426 -0.4163865 -0.4021928 -0.3294804 -1.6285958 26 O -1.0990119 0.2705827 -0.2986882 0.3316957 -2.3262426 0.4163865 -0.4021928 0.3294804 -1.6285958 27 O -1.0990119 -0.2705827 -0.2986882 -0.3316957 -2.3262426 -0.4163865 -0.4021928 -0.3294804 -1.6285958 28 O -1.0990119 0.2705827 -0.2986882 0.3316957 -2.3262426 0.4163865 -0.4021928 0.3294804 -1.6285958 29 O -1.1679622 0.3210003 -0.4328892 0.4955643 -2.3719413 0.3868208 -0.5432643 0.2417092 -1.6480923 30 O -1.1679622 -0.3210003 -0.4328892 -0.4955643 -2.3719413 -0.3868208 -0.5432643 -0.2417092 -1.6480923 31 O -1.1679622 0.3210003 -0.4328892 0.4955643 -2.3719413 0.3868208 -0.5432643 0.2417092 -1.6480923 32 O -1.1679622 -0.3210003 -0.4328892 -0.4955643 -2.3719413 -0.3868208 -0.5432643 -0.2417092 -1.6480923 33 S 3.3458720 -0.2637625 0.3093257 0.1025977 3.1698293 0.2206945 0.2594387 0.3966009 3.9063836 34 S 3.3458720 0.2637625 0.3093257 -0.1025977 3.1698293 -0.2206945 0.2594387 -0.3966009 3.9063836 35 S 3.3458720 -0.2637625 0.3093257 0.1025977 3.1698293 0.2206945 0.2594387 0.3966009 3.9063836 36 S 3.3458720 0.2637625 0.3093257 -0.1025977 3.1698293 -0.2206945 0.2594387 -0.3966009 3.9063836 37 S 3.2649951 -0.0586483 0.1074117 -0.0996570 3.5106532 0.2377812 0.1602839 -0.0161264 3.8834701 38 S 3.2649951 0.0586483 0.1074117 0.0996570 3.5106532 -0.2377812 0.1602839 0.0161264 3.8834701 39 S 3.2649951 -0.0586483 0.1074117 -0.0996570 3.5106532 0.2377812 0.1602839 -0.0161264 3.8834701 40 S 3.2649951 0.0586483 0.1074117 0.0996570 3.5106532 -0.2377812 0.1602839 0.0161264 3.8834701 41 K 1.4978593 0.1541620 0.0690508 0.0170216 1.2137806 0.0005888 0.0535412 0.0427071 1.2465578 42 K 1.4978593 -0.1541620 0.0690508 -0.0170216 1.2137806 -0.0005888 0.0535412 -0.0427071 1.2465578 43 K 1.4978593 0.1541620 0.0690508 0.0170216 1.2137806 0.0005888 0.0535412 0.0427071 1.2465578 44 K 1.4978593 -0.1541620 0.0690508 -0.0170216 1.2137806 -0.0005888 0.0535412 -0.0427071 1.2465578 45 Nd 3.2424242 -0.2339801 0.0212187 -0.3338956 4.0596112 0.3155836 -0.0464432 -0.0030900 4.5865737 46 Nd 3.2424242 0.2339801 0.0212187 0.3338956 4.0596112 -0.3155836 -0.0464432 0.0030900 4.5865737 47 Nd 3.2424242 -0.2339801 0.0212187 -0.3338956 4.0596112 0.3155836 -0.0464432 -0.0030900 4.5865737 48 Nd 3.2424242 0.2339801 0.0212187 0.3338956 4.0596112 -0.3155836 -0.0464432 0.0030900 4.5865737 ---------------------------------------------------------------------------- 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:51:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:51:40]------------------------- 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 8.629025380752646 0.000000000000000 0.000000000000000 b 0.000000000000000 7.165933450000000 0.000000000000000 c -0.443303658257951 0.000000000000000 10.651457895972424 Atomic positions (fractional): 1 O 0.39607542085214 0.03129730161566 0.63188323548235 15.999 2 O 0.60392457914786 0.53129730161566 0.86811676451765 15.999 3 O 0.60392457914786 0.96870269838434 0.36811676451765 15.999 4 O 0.39607542085214 0.46870269838434 0.13188323548235 15.999 5 O 0.30213521354050 0.25084669446320 0.96711488043015 15.999 6 O 0.69786478645950 0.75084669446320 0.53288511956985 15.999 7 O 0.69786478645950 0.74915330553680 0.03288511956985 15.999 8 O 0.30213521354050 0.24915330553680 0.46711488043015 15.999 9 O 0.24595625919943 0.30416320286010 0.68631615311531 15.999 10 O 0.75404374080057 0.80416320286010 0.81368384688469 15.999 11 O 0.75404374080057 0.69583679713990 0.31368384688469 15.999 12 O 0.24595625919943 0.19583679713990 0.18631615311531 15.999 13 O 0.87677080046947 0.55480182796346 0.93868644030216 15.999 14 O 0.12322919953053 0.05480182796346 0.56131355969784 15.999 15 O 0.12322919953053 0.44519817203654 0.06131355969784 15.999 16 O 0.87677080046947 0.94519817203654 0.43868644030216 15.999 17 O 0.87518644525638 0.32218941004763 0.48190341488830 15.999 18 O 0.12481355474362 0.82218941004763 0.01809658511170 15.999 19 O 0.12481355474362 0.67781058995237 0.51809658511170 15.999 20 O 0.87518644525638 0.17781058995237 0.98190341488830 15.999 21 O 0.64983434203119 0.14363637752118 0.10693042315512 15.999 22 O 0.35016565796881 0.64363637752118 0.39306957684488 15.999 23 O 0.35016565796881 0.85636362247882 0.89306957684488 15.999 24 O 0.64983434203119 0.35636362247882 0.60693042315512 15.999 25 O 0.86461110301331 0.33299129336222 0.18957217836503 15.999 26 O 0.13538889698669 0.83299129336222 0.31042782163497 15.999 27 O 0.13538889698669 0.66700870663778 0.81042782163497 15.999 28 O 0.86461110301331 0.16700870663778 0.68957217836503 15.999 29 O 0.90129942909298 0.00842102071052 0.17825441482359 15.999 30 O 0.09870057090702 0.50842102071052 0.32174558517641 15.999 31 O 0.09870057090702 0.99157897928948 0.82174558517641 15.999 32 O 0.90129942909298 0.49157897928948 0.67825441482359 15.999 33 S 0.27417106600835 0.15819544172144 0.58994776173406 32.065 34 S 0.72582893399165 0.65819544172144 0.91005223826594 32.065 35 S 0.72582893399165 0.84180455827856 0.41005223826594 32.065 36 S 0.27417106600835 0.34180455827856 0.08994776173406 32.065 37 S 0.81678817643280 0.33447382131998 0.60964187120452 32.065 38 S 0.18321182356720 0.83447382131998 0.89035812879548 32.065 39 S 0.18321182356720 0.66552617868002 0.39035812879548 32.065 40 S 0.81678817643280 0.16552617868002 0.10964187120452 32.065 41 K 0.56447541176972 0.14802682823310 0.84408135997831 39.098 42 K 0.43552458823028 0.64802682823310 0.65591864002169 39.098 43 K 0.43552458823028 0.85197317176690 0.15591864002169 39.098 44 K 0.56447541176972 0.35197317176690 0.34408135997831 39.098 45 Nd 0.05671215121914 0.33156833254596 0.84883877074622 144.242 46 Nd 0.94328784878086 0.83156833254596 0.65116122925378 144.242 47 Nd 0.94328784878086 0.66843166745404 0.15116122925378 144.242 48 Nd 0.05671215121914 0.16843166745404 0.34883877074622 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.629025380752646 0.000000000000000 0.000000000000000 b 0.000000000000000 14.331866900000000 0.000000000000000 c -0.443303658257951 0.000000000000000 10.651457895972424 Atomic positions (fractional): 1 O 0.39607542085214 0.01564865080783 0.63188323548235 15.999 > 1 2 O 0.39607542085214 0.51564865080783 0.63188323548235 15.999 > 1 3 O 0.60392457914786 0.26564865080783 0.86811676451765 15.999 > 3 4 O 0.60392457914786 0.76564865080783 0.86811676451765 15.999 > 3 5 O 0.60392457914786 0.48435134919217 0.36811676451765 15.999 > 5 6 O 0.60392457914786 0.98435134919217 0.36811676451765 15.999 > 5 7 O 0.39607542085214 0.23435134919217 0.13188323548235 15.999 > 7 8 O 0.39607542085214 0.73435134919217 0.13188323548235 15.999 > 7 9 O 0.30213521354050 0.12542334723160 0.96711488043015 15.999 > 9 10 O 0.30213521354050 0.62542334723160 0.96711488043015 15.999 > 9 11 O 0.69786478645950 0.37542334723160 0.53288511956985 15.999 > 11 12 O 0.69786478645950 0.87542334723160 0.53288511956985 15.999 > 11 13 O 0.69786478645950 0.37457665276840 0.03288511956985 15.999 > 13 14 O 0.69786478645950 0.87457665276840 0.03288511956985 15.999 > 13 15 O 0.30213521354050 0.12457665276840 0.46711488043015 15.999 > 15 16 O 0.30213521354050 0.62457665276840 0.46711488043015 15.999 > 15 17 O 0.24595625919943 0.15208160143005 0.68631615311531 15.999 > 17 18 O 0.24595625919943 0.65208160143005 0.68631615311531 15.999 > 17 19 O 0.75404374080057 0.40208160143005 0.81368384688469 15.999 > 19 20 O 0.75404374080057 0.90208160143005 0.81368384688469 15.999 > 19 21 O 0.75404374080057 0.34791839856995 0.31368384688469 15.999 > 21 22 O 0.75404374080057 0.84791839856995 0.31368384688469 15.999 > 21 23 O 0.24595625919943 0.09791839856995 0.18631615311531 15.999 > 23 24 O 0.24595625919943 0.59791839856995 0.18631615311531 15.999 > 23 25 O 0.87677080046947 0.27740091398173 0.93868644030216 15.999 > 25 26 O 0.87677080046947 0.77740091398173 0.93868644030216 15.999 > 25 27 O 0.12322919953053 0.02740091398173 0.56131355969784 15.999 > 27 28 O 0.12322919953053 0.52740091398173 0.56131355969784 15.999 > 27 29 O 0.12322919953053 0.22259908601827 0.06131355969784 15.999 > 29 30 O 0.12322919953053 0.72259908601827 0.06131355969784 15.999 > 29 31 O 0.87677080046947 0.47259908601827 0.43868644030216 15.999 > 31 32 O 0.87677080046947 0.97259908601827 0.43868644030216 15.999 > 31 33 O 0.87518644525638 0.16109470502381 0.48190341488830 15.999 > 33 34 O 0.87518644525638 0.66109470502381 0.48190341488830 15.999 > 33 35 O 0.12481355474362 0.41109470502381 0.01809658511170 15.999 > 35 36 O 0.12481355474362 0.91109470502381 0.01809658511170 15.999 > 35 37 O 0.12481355474362 0.33890529497619 0.51809658511170 15.999 > 37 38 O 0.12481355474362 0.83890529497619 0.51809658511170 15.999 > 37 39 O 0.87518644525638 0.08890529497619 0.98190341488830 15.999 > 39 40 O 0.87518644525638 0.58890529497619 0.98190341488830 15.999 > 39 41 O 0.64983434203119 0.07181818876059 0.10693042315512 15.999 > 41 42 O 0.64983434203119 0.57181818876059 0.10693042315512 15.999 > 41 43 O 0.35016565796881 0.32181818876059 0.39306957684488 15.999 > 43 44 O 0.35016565796881 0.82181818876059 0.39306957684488 15.999 > 43 45 O 0.35016565796881 0.42818181123941 0.89306957684488 15.999 > 45 46 O 0.35016565796881 0.92818181123941 0.89306957684488 15.999 > 45 47 O 0.64983434203119 0.17818181123941 0.60693042315512 15.999 > 47 48 O 0.64983434203119 0.67818181123941 0.60693042315512 15.999 > 47 49 O 0.86461110301331 0.16649564668111 0.18957217836503 15.999 > 49 50 O 0.86461110301331 0.66649564668111 0.18957217836503 15.999 > 49 51 O 0.13538889698669 0.41649564668111 0.31042782163497 15.999 > 51 52 O 0.13538889698669 0.91649564668111 0.31042782163497 15.999 > 51 53 O 0.13538889698669 0.33350435331889 0.81042782163497 15.999 > 53 54 O 0.13538889698669 0.83350435331889 0.81042782163497 15.999 > 53 55 O 0.86461110301331 0.08350435331889 0.68957217836503 15.999 > 55 56 O 0.86461110301331 0.58350435331889 0.68957217836503 15.999 > 55 57 O 0.90129942909298 0.00421051035526 0.17825441482359 15.999 > 57 58 O 0.90129942909298 0.50421051035526 0.17825441482359 15.999 > 57 59 O 0.09870057090702 0.25421051035526 0.32174558517641 15.999 > 59 60 O 0.09870057090702 0.75421051035526 0.32174558517641 15.999 > 59 61 O 0.09870057090702 0.49578948964474 0.82174558517641 15.999 > 61 62 O 0.09870057090702 0.99578948964474 0.82174558517641 15.999 > 61 63 O 0.90129942909298 0.24578948964474 0.67825441482359 15.999 > 63 64 O 0.90129942909298 0.74578948964474 0.67825441482359 15.999 > 63 65 S 0.27417106600835 0.07909772086072 0.58994776173406 32.065 > 65 66 S 0.27417106600835 0.57909772086072 0.58994776173406 32.065 > 65 67 S 0.72582893399165 0.32909772086072 0.91005223826594 32.065 > 67 68 S 0.72582893399165 0.82909772086072 0.91005223826594 32.065 > 67 69 S 0.72582893399165 0.42090227913928 0.41005223826594 32.065 > 69 70 S 0.72582893399165 0.92090227913928 0.41005223826594 32.065 > 69 71 S 0.27417106600835 0.17090227913928 0.08994776173406 32.065 > 71 72 S 0.27417106600835 0.67090227913928 0.08994776173406 32.065 > 71 73 S 0.81678817643280 0.16723691065999 0.60964187120452 32.065 > 73 74 S 0.81678817643280 0.66723691065999 0.60964187120452 32.065 > 73 75 S 0.18321182356720 0.41723691065999 0.89035812879548 32.065 > 75 76 S 0.18321182356720 0.91723691065999 0.89035812879548 32.065 > 75 77 S 0.18321182356720 0.33276308934001 0.39035812879548 32.065 > 77 78 S 0.18321182356720 0.83276308934001 0.39035812879548 32.065 > 77 79 S 0.81678817643280 0.08276308934001 0.10964187120452 32.065 > 79 80 S 0.81678817643280 0.58276308934001 0.10964187120452 32.065 > 79 81 K 0.56447541176972 0.07401341411655 0.84408135997831 39.098 > 81 82 K 0.56447541176972 0.57401341411655 0.84408135997831 39.098 > 81 83 K 0.43552458823028 0.32401341411655 0.65591864002169 39.098 > 83 84 K 0.43552458823028 0.82401341411655 0.65591864002169 39.098 > 83 85 K 0.43552458823028 0.42598658588345 0.15591864002169 39.098 > 85 86 K 0.43552458823028 0.92598658588345 0.15591864002169 39.098 > 85 87 K 0.56447541176972 0.17598658588345 0.34408135997831 39.098 > 87 88 K 0.56447541176972 0.67598658588345 0.34408135997831 39.098 > 87 89 Nd 0.05671215121914 0.16578416627298 0.84883877074622 144.242 > 89 90 Nd 0.05671215121914 0.66578416627298 0.84883877074622 144.242 > 89 91 Nd 0.94328784878086 0.41578416627298 0.65116122925378 144.242 > 91 92 Nd 0.94328784878086 0.91578416627298 0.65116122925378 144.242 > 91 93 Nd 0.94328784878086 0.33421583372702 0.15116122925378 144.242 > 93 94 Nd 0.94328784878086 0.83421583372702 0.15116122925378 144.242 > 93 95 Nd 0.05671215121914 0.08421583372702 0.34883877074622 144.242 > 95 96 Nd 0.05671215121914 0.58421583372702 0.34883877074622 144.242 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6891048 0.0000000 0.0660017 0.0000000 2.7463474 0.0000000 0.0660026 0.0000000 2.9508501 -------------------------- Born effective charges -------------------------- 1 O -1.4952846 0.5408323 -0.3409918 0.3895993 -1.2641541 0.1625198 -0.3305709 0.1454552 -1.0906466 2 O -1.4952846 -0.5408323 -0.3409918 -0.3895993 -1.2641541 -0.1625198 -0.3305709 -0.1454552 -1.0906466 3 O -1.4952846 0.5408323 -0.3409918 0.3895993 -1.2641541 0.1625198 -0.3305709 0.1454552 -1.0906466 4 O -1.4952846 -0.5408323 -0.3409918 -0.3895993 -1.2641541 -0.1625198 -0.3305709 -0.1454552 -1.0906466 5 O -1.2806316 0.1343610 -0.0585097 0.1740000 -1.0742465 -0.3791488 -0.1879150 -0.3582872 -2.1161737 6 O -1.2806316 -0.1343610 -0.0585097 -0.1740000 -1.0742465 0.3791488 -0.1879150 0.3582872 -2.1161737 7 O -1.2806316 0.1343610 -0.0585097 0.1740000 -1.0742465 -0.3791488 -0.1879150 -0.3582872 -2.1161737 8 O -1.2806316 -0.1343610 -0.0585097 -0.1740000 -1.0742465 0.3791488 -0.1879150 0.3582872 -2.1161737 9 O -1.2160273 0.2203947 0.4084566 0.2710457 -1.5109225 -0.7391692 0.6152144 -0.8238348 -2.1388356 10 O -1.2160273 -0.2203947 0.4084566 -0.2710457 -1.5109225 0.7391692 0.6152144 0.8238348 -2.1388356 11 O -1.2160273 0.2203947 0.4084566 0.2710457 -1.5109225 -0.7391692 0.6152144 -0.8238348 -2.1388356 12 O -1.2160273 -0.2203947 0.4084566 -0.2710457 -1.5109225 0.7391692 0.6152144 0.8238348 -2.1388356 13 O -1.9103518 0.6239990 -0.3060548 0.7919542 -1.4770389 -0.0962606 -0.2951734 -0.0272066 -1.5933118 14 O -1.9103518 -0.6239990 -0.3060548 -0.7919542 -1.4770389 0.0962606 -0.2951734 0.0272066 -1.5933118 15 O -1.9103518 0.6239990 -0.3060548 0.7919542 -1.4770389 -0.0962606 -0.2951734 -0.0272066 -1.5933118 16 O -1.9103518 -0.6239990 -0.3060548 -0.7919542 -1.4770389 0.0962606 -0.2951734 0.0272066 -1.5933118 17 O -1.2572260 0.1907244 0.5669978 0.2764836 -1.0170621 -0.3980576 0.8026954 -0.3021643 -2.3826765 18 O -1.2572260 -0.1907244 0.5669978 -0.2764836 -1.0170621 0.3980576 0.8026954 0.3021643 -2.3826765 19 O -1.2572260 0.1907244 0.5669978 0.2764836 -1.0170621 -0.3980576 0.8026954 -0.3021643 -2.3826765 20 O -1.2572260 -0.1907244 0.5669978 -0.2764836 -1.0170621 0.3980576 0.8026954 0.3021643 -2.3826765 21 O -1.9246552 -0.1256523 -0.0453279 -0.2171555 -0.9122663 0.0335450 -0.0856142 -0.0339747 -1.0246529 22 O -1.9246552 0.1256523 -0.0453279 0.2171555 -0.9122663 -0.0335450 -0.0856142 0.0339747 -1.0246529 23 O -1.9246552 -0.1256523 -0.0453279 -0.2171555 -0.9122663 0.0335450 -0.0856142 -0.0339747 -1.0246529 24 O -1.9246552 0.1256523 -0.0453279 0.2171555 -0.9122663 -0.0335450 -0.0856142 0.0339747 -1.0246529 25 O -1.0990119 -0.2705827 -0.2986882 -0.3316957 -2.3262426 -0.4163865 -0.4021928 -0.3294804 -1.6285958 26 O -1.0990119 0.2705827 -0.2986882 0.3316957 -2.3262426 0.4163865 -0.4021928 0.3294804 -1.6285958 27 O -1.0990119 -0.2705827 -0.2986882 -0.3316957 -2.3262426 -0.4163865 -0.4021928 -0.3294804 -1.6285958 28 O -1.0990119 0.2705827 -0.2986882 0.3316957 -2.3262426 0.4163865 -0.4021928 0.3294804 -1.6285958 29 O -1.1679622 0.3210003 -0.4328892 0.4955643 -2.3719413 0.3868208 -0.5432643 0.2417092 -1.6480923 30 O -1.1679622 -0.3210003 -0.4328892 -0.4955643 -2.3719413 -0.3868208 -0.5432643 -0.2417092 -1.6480923 31 O -1.1679622 0.3210003 -0.4328892 0.4955643 -2.3719413 0.3868208 -0.5432643 0.2417092 -1.6480923 32 O -1.1679622 -0.3210003 -0.4328892 -0.4955643 -2.3719413 -0.3868208 -0.5432643 -0.2417092 -1.6480923 33 S 3.3458720 -0.2637625 0.3093257 0.1025977 3.1698293 0.2206945 0.2594387 0.3966009 3.9063836 34 S 3.3458720 0.2637625 0.3093257 -0.1025977 3.1698293 -0.2206945 0.2594387 -0.3966009 3.9063836 35 S 3.3458720 -0.2637625 0.3093257 0.1025977 3.1698293 0.2206945 0.2594387 0.3966009 3.9063836 36 S 3.3458720 0.2637625 0.3093257 -0.1025977 3.1698293 -0.2206945 0.2594387 -0.3966009 3.9063836 37 S 3.2649951 -0.0586483 0.1074117 -0.0996570 3.5106532 0.2377812 0.1602839 -0.0161264 3.8834701 38 S 3.2649951 0.0586483 0.1074117 0.0996570 3.5106532 -0.2377812 0.1602839 0.0161264 3.8834701 39 S 3.2649951 -0.0586483 0.1074117 -0.0996570 3.5106532 0.2377812 0.1602839 -0.0161264 3.8834701 40 S 3.2649951 0.0586483 0.1074117 0.0996570 3.5106532 -0.2377812 0.1602839 0.0161264 3.8834701 41 K 1.4978593 0.1541620 0.0690508 0.0170216 1.2137806 0.0005888 0.0535412 0.0427071 1.2465578 42 K 1.4978593 -0.1541620 0.0690508 -0.0170216 1.2137806 -0.0005888 0.0535412 -0.0427071 1.2465578 43 K 1.4978593 0.1541620 0.0690508 0.0170216 1.2137806 0.0005888 0.0535412 0.0427071 1.2465578 44 K 1.4978593 -0.1541620 0.0690508 -0.0170216 1.2137806 -0.0005888 0.0535412 -0.0427071 1.2465578 45 Nd 3.2424242 -0.2339801 0.0212187 -0.3338956 4.0596112 0.3155836 -0.0464432 -0.0030900 4.5865737 46 Nd 3.2424242 0.2339801 0.0212187 0.3338956 4.0596112 -0.3155836 -0.0464432 0.0030900 4.5865737 47 Nd 3.2424242 -0.2339801 0.0212187 -0.3338956 4.0596112 0.3155836 -0.0464432 -0.0030900 4.5865737 48 Nd 3.2424242 0.2339801 0.0212187 0.3338956 4.0596112 -0.3155836 -0.0464432 0.0030900 4.5865737 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 6 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 297, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.239 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.434 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.162 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.339 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 0.000 0.000) 0.000 6.653 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 7.087 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 7.872 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.951 ( 0.000 0.000 0.000) 0.000 11.908 ( 0.000 0.000 0.000) 0.000 12.010 ( 0.000 0.000 0.000) 0.000 12.276 ( 0.000 0.000 0.000) 0.000 12.338 ( 0.000 0.000 0.000) 0.000 12.388 ( 0.000 0.000 0.000) 0.000 12.497 ( 0.000 0.000 0.000) 0.000 12.666 ( 0.000 0.000 0.000) 0.000 12.677 ( 0.000 0.000 0.000) 0.000 13.805 ( 0.000 0.000 0.000) 0.000 13.925 ( 0.000 0.000 0.000) 0.000 13.966 ( 0.000 0.000 0.000) 0.000 14.101 ( 0.000 0.000 0.000) 0.000 14.255 ( 0.000 0.000 0.000) 0.000 14.321 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.460 ( 0.000 0.000 0.000) 0.000 16.642 ( 0.000 0.000 0.000) 0.000 16.663 ( 0.000 0.000 0.000) 0.000 16.697 ( 0.000 0.000 0.000) 0.000 16.747 ( 0.000 0.000 0.000) 0.000 16.954 ( 0.000 0.000 0.000) 0.000 17.032 ( 0.000 0.000 0.000) 0.000 17.165 ( 0.000 0.000 0.000) 0.000 17.166 ( 0.000 0.000 0.000) 0.000 17.346 ( 0.000 0.000 0.000) 0.000 17.465 ( 0.000 0.000 0.000) 0.000 17.555 ( 0.000 0.000 0.000) 0.000 17.637 ( 0.000 0.000 0.000) 0.000 17.655 ( 0.000 0.000 0.000) 0.000 17.738 ( 0.000 0.000 0.000) 0.000 17.766 ( 0.000 0.000 0.000) 0.000 17.788 ( 0.000 0.000 0.000) 0.000 18.857 ( 0.000 0.000 0.000) 0.000 19.036 ( 0.000 0.000 0.000) 0.000 19.073 ( 0.000 0.000 0.000) 0.000 19.078 ( 0.000 0.000 0.000) 0.000 19.292 ( 0.000 0.000 0.000) 0.000 19.365 ( 0.000 0.000 0.000) 0.000 19.367 ( 0.000 0.000 0.000) 0.000 19.446 ( 0.000 0.000 0.000) 0.000 27.752 ( 0.000 0.000 0.000) 0.000 27.780 ( 0.000 0.000 0.000) 0.000 27.848 ( 0.000 0.000 0.000) 0.000 27.960 ( 0.000 0.000 0.000) 0.000 28.087 ( 0.000 0.000 0.000) 0.000 28.129 ( 0.000 0.000 0.000) 0.000 28.342 ( 0.000 0.000 0.000) 0.000 28.440 ( 0.000 0.000 0.000) 0.000 28.455 ( 0.000 0.000 0.000) 0.000 28.642 ( 0.000 0.000 0.000) 0.000 28.677 ( 0.000 0.000 0.000) 0.000 28.965 ( 0.000 0.000 0.000) 0.000 29.177 ( 0.000 0.000 0.000) 0.000 29.601 ( 0.000 0.000 0.000) 0.000 29.977 ( 0.000 0.000 0.000) 0.000 30.320 ( 0.000 0.000 0.000) 0.000 31.128 ( 0.000 0.000 0.000) 0.000 31.137 ( 0.000 0.000 0.000) 0.000 31.664 ( 0.000 0.000 0.000) 0.000 31.937 ( 0.000 0.000 0.000) 0.000 32.111 ( 0.000 0.000 0.000) 0.000 32.162 ( 0.000 0.000 0.000) 0.000 32.790 ( 0.000 0.000 0.000) 0.000 34.412 ( 0.000 0.000 0.000) 0.000 35.439 ( 0.000 0.000 0.000) 0.000 35.585 ( 0.000 0.000 0.000) 0.000 35.718 ( 0.000 0.000 0.000) 0.000 35.995 ( 0.000 0.000 0.000) 0.000 35.997 ( 0.000 0.000 0.000) 0.000 36.141 ( 0.000 0.000 0.000) 0.000 36.538 ( 0.000 0.000 0.000) 0.000 37.271 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 17.040 0.000 5.121) 17.793 0.533 ( 24.861 0.000 27.182) 36.837 0.570 ( 28.138 0.000 -8.404) 29.366 1.987 ( 2.968 0.000 -1.584) 3.365 2.025 ( -5.625 0.000 17.518) 18.399 2.256 ( 1.498 0.000 2.971) 3.327 2.275 ( -3.125 0.000 -1.893) 3.654 2.407 ( -1.915 0.000 2.463) 3.120 2.452 ( -3.443 0.000 -5.459) 6.454 2.470 ( -5.467 0.000 -5.430) 7.705 2.641 ( 0.723 0.000 2.616) 2.714 2.718 ( 1.760 0.000 4.987) 5.288 2.734 ( 1.154 0.000 -1.295) 1.734 2.872 ( -0.616 0.000 1.402) 1.531 2.963 ( 1.378 0.000 4.195) 4.416 3.035 ( -1.708 0.000 0.149) 1.714 3.206 ( -3.516 0.000 2.279) 4.190 3.211 ( -2.011 0.000 -1.039) 2.263 3.238 ( 2.895 0.000 0.058) 2.896 3.324 ( -0.207 0.000 1.668) 1.680 3.349 ( 11.382 0.000 -1.949) 11.547 3.512 ( -7.603 0.000 -6.412) 9.946 3.555 ( 6.778 0.000 -1.244) 6.891 3.637 ( -1.559 0.000 -0.966) 1.834 3.640 ( -5.823 0.000 -3.355) 6.720 3.683 ( 3.077 0.000 -2.606) 4.033 3.789 ( 0.270 0.000 -9.243) 9.246 3.838 ( 1.495 0.000 1.604) 2.193 3.931 ( -3.326 0.000 1.988) 3.875 4.018 ( -0.846 0.000 -6.064) 6.123 4.051 ( 1.632 0.000 -1.466) 2.194 4.116 ( 2.644 0.000 1.050) 2.845 4.250 ( -3.505 0.000 3.153) 4.714 4.347 ( -1.936 0.000 -1.464) 2.428 4.527 ( -1.494 0.000 1.446) 2.080 4.556 ( -6.530 0.000 -11.785) 13.473 4.587 ( -3.049 0.000 4.704) 5.605 4.622 ( -3.653 0.000 2.814) 4.611 4.688 ( -2.173 0.000 -3.543) 4.156 4.724 ( -3.986 0.000 8.151) 9.074 4.742 ( -0.163 0.000 -3.616) 3.620 4.781 ( -1.062 0.000 -3.337) 3.502 4.963 ( 0.504 0.000 1.957) 2.021 5.001 ( 4.260 0.000 0.299) 4.271 5.043 ( -0.727 0.000 -8.447) 8.478 5.088 ( 1.424 0.000 -4.380) 4.606 5.233 ( 4.560 0.000 -5.195) 6.912 5.280 ( 0.816 0.000 1.026) 1.311 5.343 ( 1.196 0.000 0.495) 1.295 5.460 ( -4.146 0.000 1.010) 4.267 5.492 ( 3.035 0.000 -3.132) 4.361 5.526 ( 0.352 0.000 -4.297) 4.311 5.582 ( 0.978 0.000 3.095) 3.246 5.631 ( 2.601 0.000 2.777) 3.805 5.649 ( 1.666 0.000 2.551) 3.047 5.732 ( -1.034 0.000 -2.244) 2.470 6.008 ( -0.448 0.000 2.940) 2.974 6.020 ( 1.880 0.000 -0.812) 2.048 6.063 ( 2.073 0.000 3.146) 3.767 6.187 ( 1.272 0.000 1.023) 1.632 6.407 ( 6.181 0.000 3.082) 6.907 6.572 ( -2.908 0.000 -3.185) 4.313 6.659 ( 0.451 0.000 1.309) 1.384 6.776 ( 0.427 0.000 0.556) 0.701 7.097 ( 0.934 0.000 1.959) 2.170 7.112 ( -0.191 0.000 0.581) 0.612 7.168 ( 0.057 0.000 -1.485) 1.486 7.317 ( -4.019 0.000 35.820) 36.045 7.690 ( -0.981 0.000 0.013) 0.981 7.864 ( -0.921 0.000 3.710) 3.823 7.933 ( -1.576 0.000 -2.984) 3.375 8.175 ( -0.644 0.000 -10.151) 10.172 11.879 ( -2.544 0.000 -0.224) 2.554 11.969 ( -3.842 0.000 -1.243) 4.038 12.293 ( 1.515 0.000 0.162) 1.524 12.316 ( -2.132 0.000 0.288) 2.152 12.426 ( 3.289 0.000 0.192) 3.294 12.454 ( -3.290 0.000 -0.680) 3.360 12.685 ( 1.621 0.000 -0.812) 1.813 12.719 ( 3.301 0.000 0.725) 3.380 13.808 ( 0.104 0.000 1.777) 1.780 13.919 ( -0.449 0.000 -0.615) 0.761 13.965 ( -0.072 0.000 -0.593) 0.597 14.089 ( -1.324 0.000 0.385) 1.379 14.259 ( 0.357 0.000 0.743) 0.824 14.318 ( -0.238 0.000 -0.644) 0.687 14.440 ( 0.613 0.000 -0.423) 0.745 14.458 ( -0.254 0.000 -0.976) 1.008 16.595 ( -3.727 0.000 0.608) 3.776 16.670 ( -2.475 0.000 0.670) 2.564 16.725 ( -2.554 0.000 0.381) 2.582 16.771 ( -1.778 0.000 -7.470) 7.678 16.942 ( -0.184 0.000 -0.854) 0.874 17.029 ( 0.361 0.000 0.407) 0.544 17.209 ( 3.079 0.000 0.280) 3.092 17.216 ( 3.972 0.000 0.005) 3.972 17.362 ( 1.706 0.000 -0.755) 1.866 17.507 ( -1.192 0.000 -5.284) 5.417 17.573 ( 1.312 0.000 -3.199) 3.458 17.641 ( 0.459 0.000 0.309) 0.554 17.660 ( -1.230 0.000 3.539) 3.746 17.739 ( -0.025 0.000 0.286) 0.287 17.783 ( -0.559 0.000 0.833) 1.003 17.784 ( 1.485 0.000 -0.200) 1.498 19.016 ( -1.703 0.000 -1.333) 2.163 19.060 ( 0.132 0.000 4.115) 4.117 19.084 ( -3.793 0.000 22.611) 22.927 19.126 ( 3.176 0.000 0.845) 3.286 19.320 ( 1.999 0.000 7.269) 7.539 19.338 ( -2.116 0.000 -2.468) 3.251 19.362 ( -0.817 0.000 -2.783) 2.901 19.506 ( 3.314 0.000 1.180) 3.518 27.750 ( -0.186 0.000 -0.173) 0.254 27.786 ( 0.552 0.000 0.416) 0.692 27.916 ( 0.141 0.000 5.825) 5.827 27.948 ( -1.001 0.000 -0.700) 1.222 28.104 ( 1.332 0.000 -0.332) 1.373 28.342 ( -0.141 0.000 1.498) 1.505 28.396 ( -1.080 0.000 1.276) 1.672 28.417 ( -1.295 0.000 -0.933) 1.596 28.461 ( -0.132 0.000 1.096) 1.104 28.656 ( 1.277 0.000 0.127) 1.284 28.672 ( -0.479 0.000 -0.060) 0.483 28.962 ( -0.354 0.000 -0.635) 0.727 29.236 ( 5.575 0.000 0.333) 5.585 29.925 ( -2.099 0.000 6.965) 7.275 30.007 ( 1.181 0.000 14.967) 15.013 30.294 ( -2.576 0.000 -0.231) 2.587 31.132 ( 0.341 0.000 1.889) 1.920 31.187 ( 0.862 0.000 -30.224) 30.236 31.693 ( 2.858 0.000 0.997) 3.027 31.933 ( -0.320 0.000 0.818) 0.878 32.145 ( 3.301 0.000 -2.142) 3.935 32.165 ( 0.248 0.000 0.010) 0.248 32.728 ( -5.721 0.000 -0.763) 5.772 34.374 ( -4.071 0.000 5.084) 6.513 35.485 ( 4.860 0.000 -2.312) 5.382 35.606 ( 2.146 0.000 0.565) 2.219 35.879 ( -1.818 0.000 -5.034) 5.352 36.003 ( -0.226 0.000 0.934) 0.961 36.130 ( -0.205 0.000 -2.308) 2.317 36.504 ( -3.320 0.000 0.371) 3.341 37.274 ( 0.328 0.000 -0.060) 0.333 37.396 ( -1.049 0.000 6.335) 6.421 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 13.001 0.000 3.145) 13.376 0.960 ( 16.296 0.000 12.588) 20.592 1.037 ( 19.252 0.000 0.547) 19.260 1.970 ( -3.388 0.000 15.913) 16.270 2.029 ( 1.073 0.000 -3.384) 3.550 2.206 ( -1.228 0.000 6.469) 6.585 2.289 ( 1.079 0.000 5.167) 5.279 2.301 ( -4.808 0.000 -1.291) 4.978 2.387 ( -1.926 0.000 -7.953) 8.183 2.396 ( -3.104 0.000 -7.909) 8.496 2.672 ( -3.139 0.000 3.271) 4.533 2.695 ( -5.635 0.000 -3.172) 6.466 2.731 ( 4.100 0.000 1.843) 4.495 2.795 ( -3.665 0.000 3.564) 5.112 3.037 ( 2.323 0.000 0.583) 2.396 3.077 ( -6.694 0.000 0.194) 6.697 3.113 ( 6.311 0.000 -3.998) 7.471 3.202 ( -1.259 0.000 1.801) 2.198 3.289 ( -3.999 0.000 3.216) 5.132 3.303 ( 4.490 0.000 3.573) 5.738 3.387 ( -2.212 0.000 -5.032) 5.497 3.554 ( 7.619 0.000 5.134) 9.187 3.570 ( 0.441 0.000 -2.020) 2.068 3.628 ( 2.316 0.000 1.959) 3.033 3.711 ( 6.469 0.000 -2.624) 6.981 3.739 ( 1.926 0.000 1.230) 2.285 3.798 ( 1.048 0.000 -7.893) 7.962 3.825 ( -1.738 0.000 -1.751) 2.467 3.870 ( -1.832 0.000 2.771) 3.321 3.969 ( -2.525 0.000 -0.351) 2.550 4.057 ( -2.686 0.000 -5.344) 5.981 4.124 ( -2.136 0.000 -2.193) 3.062 4.238 ( 0.615 0.000 3.326) 3.382 4.287 ( -3.252 0.000 -1.904) 3.768 4.306 ( -12.002 0.000 -6.164) 13.493 4.505 ( -0.728 0.000 2.526) 2.628 4.551 ( -0.210 0.000 2.745) 2.753 4.588 ( -2.714 0.000 -1.712) 3.208 4.634 ( -2.576 0.000 0.320) 2.595 4.694 ( 0.245 0.000 3.315) 3.324 4.733 ( -0.972 0.000 -3.647) 3.774 4.752 ( -1.233 0.000 -5.862) 5.990 4.965 ( -0.246 0.000 1.801) 1.818 5.032 ( -0.166 0.000 -0.260) 0.309 5.087 ( 3.805 0.000 -0.574) 3.848 5.108 ( 0.850 0.000 -1.806) 1.996 5.277 ( -1.068 0.000 -0.582) 1.216 5.330 ( 5.278 0.000 -5.343) 7.511 5.362 ( 0.533 0.000 -0.076) 0.538 5.407 ( -1.238 0.000 2.527) 2.814 5.507 ( -1.107 0.000 -0.016) 1.107 5.551 ( 2.051 0.000 -5.065) 5.465 5.600 ( 0.368 0.000 2.884) 2.907 5.664 ( 0.396 0.000 8.429) 8.438 5.700 ( 2.664 0.000 1.212) 2.927 5.710 ( -0.511 0.000 -6.385) 6.405 6.011 ( 0.439 0.000 1.544) 1.606 6.058 ( 1.808 0.000 -1.073) 2.103 6.109 ( 2.101 0.000 0.119) 2.104 6.207 ( 0.472 0.000 0.676) 0.824 6.512 ( -2.568 0.000 -1.087) 2.789 6.545 ( 6.700 0.000 2.639) 7.202 6.673 ( 0.949 0.000 -0.086) 0.953 6.781 ( -0.090 0.000 0.526) 0.533 7.109 ( -0.058 0.000 0.490) 0.494 7.121 ( 1.032 0.000 3.541) 3.688 7.158 ( -1.177 0.000 -1.226) 1.699 7.261 ( -2.966 0.000 9.650) 10.096 7.668 ( -1.027 0.000 -0.021) 1.027 7.848 ( -0.911 0.000 5.102) 5.183 7.896 ( -1.611 0.000 -4.435) 4.718 8.152 ( -0.928 0.000 -3.140) 3.274 11.829 ( -2.222 0.000 -0.191) 2.230 11.896 ( -3.064 0.000 -0.358) 3.084 12.273 ( -1.888 0.000 0.278) 1.909 12.321 ( 1.064 0.000 0.152) 1.075 12.398 ( -2.140 0.000 -0.483) 2.194 12.487 ( 2.557 0.000 0.162) 2.562 12.715 ( 1.290 0.000 -0.668) 1.452 12.777 ( 2.279 0.000 0.503) 2.334 13.812 ( 0.137 0.000 1.031) 1.040 13.914 ( 0.014 0.000 -0.568) 0.568 13.962 ( -0.075 0.000 -0.617) 0.621 14.056 ( -1.800 0.000 0.318) 1.828 14.268 ( 0.382 0.000 0.806) 0.892 14.312 ( -0.270 0.000 -0.668) 0.721 14.451 ( -0.287 0.000 -0.892) 0.936 14.453 ( 0.586 0.000 -0.351) 0.683 16.535 ( -2.066 0.000 0.579) 2.145 16.619 ( -2.459 0.000 0.723) 2.563 16.662 ( -3.253 0.000 0.265) 3.264 16.727 ( -1.726 0.000 -2.634) 3.149 16.952 ( 0.871 0.000 -0.649) 1.086 17.046 ( 0.957 0.000 0.551) 1.105 17.254 ( 1.398 0.000 0.126) 1.404 17.284 ( 2.637 0.000 0.054) 2.637 17.402 ( 1.959 0.000 -0.689) 2.076 17.483 ( -0.918 0.000 -1.175) 1.491 17.592 ( 0.771 0.000 -1.353) 1.557 17.642 ( -0.723 0.000 1.186) 1.389 17.657 ( 1.133 0.000 0.558) 1.263 17.731 ( -1.028 0.000 -0.157) 1.040 17.774 ( -0.243 0.000 1.058) 1.086 17.811 ( 1.108 0.000 -0.156) 1.119 18.982 ( -1.409 0.000 -1.193) 1.846 19.033 ( -2.252 0.000 5.566) 6.004 19.084 ( 1.629 0.000 4.926) 5.188 19.190 ( 2.878 0.000 1.383) 3.193 19.288 ( -2.393 0.000 -1.434) 2.790 19.333 ( -1.727 0.000 -5.177) 5.457 19.362 ( 1.551 0.000 4.473) 4.734 19.571 ( 2.744 0.000 0.926) 2.896 27.746 ( -0.157 0.000 -0.160) 0.224 27.800 ( 0.772 0.000 0.525) 0.934 27.924 ( 0.247 0.000 1.913) 1.929 27.928 ( -0.859 0.000 -0.751) 1.141 28.123 ( 0.520 0.000 -0.381) 0.645 28.339 ( -0.296 0.000 2.336) 2.355 28.378 ( -0.632 0.000 -1.191) 1.348 28.405 ( 0.194 0.000 -0.605) 0.636 28.450 ( -0.998 0.000 0.812) 1.287 28.661 ( -0.477 0.000 -0.061) 0.481 28.681 ( 1.086 0.000 0.119) 1.093 28.954 ( -0.360 0.000 -0.284) 0.458 29.360 ( 6.098 0.000 0.370) 6.109 29.895 ( -1.121 0.000 0.105) 1.126 30.036 ( 0.800 0.000 7.148) 7.192 30.232 ( -3.288 0.000 -0.295) 3.302 31.143 ( 0.521 0.000 3.863) 3.898 31.176 ( -0.106 0.000 -13.262) 13.262 31.762 ( 3.650 0.000 1.249) 3.858 31.928 ( -0.306 0.000 0.778) 0.836 32.170 ( 0.259 0.000 -0.553) 0.611 32.210 ( 2.777 0.000 -2.958) 4.057 32.609 ( -5.323 0.000 -0.148) 5.325 34.281 ( -5.057 0.000 4.454) 6.739 35.617 ( 8.608 0.000 -1.818) 8.798 35.664 ( 3.599 0.000 1.130) 3.772 35.824 ( -3.392 0.000 -2.678) 4.322 35.942 ( -6.081 0.000 0.552) 6.106 36.161 ( 3.062 0.000 -2.096) 3.711 36.426 ( -4.152 0.000 0.620) 4.198 37.282 ( 0.479 0.000 -0.115) 0.492 37.378 ( -1.025 0.000 2.181) 2.410 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.000 0.000 -0.000) 0.000 1.132 ( 0.000 0.000 0.000) 0.000 1.242 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 -0.000) 0.000 2.031 ( 0.000 0.000 -0.000) 0.000 2.236 ( 0.000 0.000 -0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 -0.000) 0.000 2.336 ( -0.000 0.000 -0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 -0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 -0.000) 0.000 2.964 ( 0.000 0.000 -0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 -0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 -0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 -0.000) 0.000 3.697 ( 0.000 0.000 -0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.757 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 -0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 -0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.127 ( -0.000 0.000 -0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 -0.000) 0.000 4.551 ( 0.000 0.000 -0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 0.000 -0.000) 0.000 4.700 ( 0.000 0.000 -0.000) 0.000 4.713 ( 0.000 0.000 -0.000) 0.000 4.737 ( 0.000 0.000 -0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.126 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 -0.000) 0.000 5.395 ( 0.000 0.000 -0.000) 0.000 5.400 ( 0.000 0.000 -0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 -0.000) 0.000 5.604 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 -0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 -0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 -0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 -0.000) 0.000 6.621 ( 0.000 0.000 -0.000) 0.000 6.685 ( 0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 -0.000) 0.000 7.135 ( 0.000 0.000 -0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 0.000) 0.000 7.657 ( 0.000 0.000 -0.000) 0.000 7.841 ( 0.000 0.000 -0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 8.141 ( 0.000 0.000 -0.000) 0.000 11.806 ( 0.000 0.000 -0.000) 0.000 11.865 ( 0.000 0.000 -0.000) 0.000 12.254 ( 0.000 0.000 0.000) 0.000 12.331 ( 0.000 0.000 -0.000) 0.000 12.377 ( 0.000 0.000 -0.000) 0.000 12.513 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 -0.000) 0.000 12.800 ( 0.000 0.000 -0.000) 0.000 13.814 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 13.961 ( 0.000 0.000 0.000) 0.000 14.035 ( 0.000 0.000 0.000) 0.000 14.272 ( 0.000 0.000 -0.000) 0.000 14.309 ( 0.000 0.000 -0.000) 0.000 14.448 ( 0.000 0.000 0.000) 0.000 14.459 ( 0.000 0.000 0.000) 0.000 16.517 ( 0.000 0.000 0.000) 0.000 16.593 ( 0.000 0.000 -0.000) 0.000 16.626 ( 0.000 0.000 0.000) 0.000 16.709 ( 0.000 0.000 0.000) 0.000 16.962 ( 0.000 0.000 -0.000) 0.000 17.056 ( 0.000 0.000 -0.000) 0.000 17.267 ( 0.000 0.000 -0.000) 0.000 17.310 ( 0.000 0.000 0.000) 0.000 17.422 ( 0.000 0.000 -0.000) 0.000 17.473 ( 0.000 0.000 0.000) 0.000 17.599 ( 0.000 0.000 0.000) 0.000 17.635 ( 0.000 0.000 -0.000) 0.000 17.676 ( 0.000 0.000 0.000) 0.000 17.711 ( 0.000 0.000 0.000) 0.000 17.773 ( 0.000 0.000 -0.000) 0.000 17.822 ( 0.000 0.000 -0.000) 0.000 18.967 ( 0.000 0.000 -0.000) 0.000 19.013 ( 0.000 0.000 -0.000) 0.000 19.109 ( 0.000 0.000 0.000) 0.000 19.216 ( 0.000 0.000 -0.000) 0.000 19.271 ( 0.000 0.000 -0.000) 0.000 19.302 ( 0.000 0.000 0.000) 0.000 19.380 ( 0.000 0.000 0.000) 0.000 19.600 ( 0.000 0.000 0.000) 0.000 27.744 ( 0.000 0.000 0.000) 0.000 27.810 ( 0.000 0.000 0.000) 0.000 27.918 ( 0.000 0.000 -0.000) 0.000 27.927 ( 0.000 0.000 -0.000) 0.000 28.126 ( 0.000 0.000 0.000) 0.000 28.336 ( 0.000 0.000 -0.000) 0.000 28.371 ( 0.000 0.000 0.000) 0.000 28.414 ( 0.000 0.000 0.000) 0.000 28.434 ( 0.000 0.000 -0.000) 0.000 28.656 ( 0.000 0.000 0.000) 0.000 28.692 ( 0.000 0.000 0.000) 0.000 28.950 ( 0.000 0.000 -0.000) 0.000 29.427 ( 0.000 0.000 0.000) 0.000 29.884 ( 0.000 0.000 -0.000) 0.000 30.047 ( 0.000 0.000 0.000) 0.000 30.194 ( 0.000 0.000 -0.000) 0.000 31.154 ( -0.000 0.000 -0.000) 0.000 31.166 ( 0.000 0.000 0.000) 0.000 31.805 ( 0.000 0.000 -0.000) 0.000 31.925 ( 0.000 0.000 -0.000) 0.000 32.172 ( 0.000 0.000 0.000) 0.000 32.232 ( 0.000 0.000 -0.000) 0.000 32.556 ( 0.000 0.000 -0.000) 0.000 34.227 ( 0.000 0.000 0.000) 0.000 35.727 ( 0.000 0.000 0.000) 0.000 35.762 ( -0.000 0.000 -0.000) 0.000 35.783 ( 0.000 0.000 -0.000) 0.000 35.801 ( -0.000 0.000 0.000) 0.000 36.201 ( 0.000 0.000 -0.000) 0.000 36.376 ( 0.000 0.000 0.000) 0.000 37.288 ( 0.000 0.000 0.000) 0.000 37.367 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/64) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 0.000 23.780 0.000) 23.780 0.573 ( 0.000 28.354 0.000) 28.354 1.021 ( 0.000 48.966 0.000) 48.966 2.004 ( 0.000 -3.312 0.000) 3.312 2.089 ( 0.000 7.997 0.000) 7.997 2.280 ( 0.000 -5.650 0.000) 5.650 2.347 ( 0.000 5.276 0.000) 5.276 2.360 ( 0.000 5.537 0.000) 5.537 2.519 ( 0.000 -4.179 0.000) 4.179 2.520 ( 0.000 3.291 0.000) 3.291 2.646 ( 0.000 -3.075 0.000) 3.075 2.651 ( 0.000 2.741 0.000) 2.741 2.799 ( 0.000 8.074 0.000) 8.074 2.899 ( 0.000 3.279 0.000) 3.279 3.008 ( 0.000 -1.556 0.000) 1.556 3.076 ( 0.000 1.373 0.000) 1.373 3.172 ( 0.000 -0.395 0.000) 0.395 3.206 ( 0.000 -0.135 0.000) 0.135 3.254 ( 0.000 -0.971 0.000) 0.971 3.271 ( 0.000 1.769 0.000) 1.769 3.324 ( 0.000 1.047 0.000) 1.047 3.415 ( 0.000 -1.863 0.000) 1.863 3.495 ( 0.000 1.008 0.000) 1.008 3.599 ( 0.000 -0.214 0.000) 0.214 3.617 ( 0.000 -1.286 0.000) 1.286 3.684 ( 0.000 -5.823 0.000) 5.823 3.756 ( 0.000 -1.936 0.000) 1.936 3.819 ( 0.000 2.950 0.000) 2.950 3.958 ( 0.000 -1.580 0.000) 1.580 3.977 ( 0.000 -4.369 0.000) 4.369 3.986 ( 0.000 -1.366 0.000) 1.366 4.126 ( 0.000 -3.504 0.000) 3.504 4.174 ( 0.000 4.681 0.000) 4.681 4.466 ( 0.000 -6.000 0.000) 6.000 4.471 ( 0.000 -3.673 0.000) 3.673 4.488 ( 0.000 -0.736 0.000) 0.736 4.596 ( 0.000 0.888 0.000) 0.888 4.729 ( 0.000 -1.498 0.000) 1.498 4.770 ( 0.000 2.040 0.000) 2.040 4.800 ( 0.000 3.109 0.000) 3.109 4.861 ( 0.000 1.981 0.000) 1.981 4.897 ( 0.000 -2.560 0.000) 2.560 4.948 ( 0.000 4.884 0.000) 4.884 5.055 ( 0.000 -1.273 0.000) 1.273 5.087 ( 0.000 6.524 0.000) 6.524 5.127 ( 0.000 -3.558 0.000) 3.558 5.137 ( 0.000 -0.021 0.000) 0.021 5.251 ( 0.000 -1.979 0.000) 1.979 5.319 ( 0.000 -6.317 0.000) 6.317 5.479 ( 0.000 1.522 0.000) 1.522 5.499 ( 0.000 -3.625 0.000) 3.625 5.569 ( 0.000 1.318 0.000) 1.318 5.588 ( 0.000 1.007 0.000) 1.007 5.699 ( 0.000 6.343 0.000) 6.343 5.775 ( 0.000 2.382 0.000) 2.382 5.860 ( 0.000 -1.082 0.000) 1.082 6.039 ( 0.000 0.970 0.000) 0.970 6.068 ( 0.000 6.486 0.000) 6.486 6.118 ( 0.000 0.460 0.000) 0.460 6.177 ( 0.000 0.471 0.000) 0.471 6.345 ( 0.000 0.070 0.000) 0.070 6.548 ( 0.000 -2.982 0.000) 2.982 6.654 ( 0.000 1.693 0.000) 1.693 6.750 ( 0.000 -0.283 0.000) 0.283 6.752 ( 0.000 4.132 0.000) 4.132 7.087 ( 0.000 -0.199 0.000) 0.199 7.259 ( 0.000 5.515 0.000) 5.515 7.511 ( 0.000 -4.481 0.000) 4.481 7.737 ( 0.000 2.974 0.000) 2.974 7.846 ( 0.000 -2.576 0.000) 2.576 7.955 ( 0.000 0.383 0.000) 0.383 8.089 ( 0.000 -2.721 0.000) 2.721 11.955 ( 0.000 1.879 0.000) 1.879 12.017 ( 0.000 0.755 0.000) 0.755 12.272 ( 0.000 -0.610 0.000) 0.610 12.313 ( 0.000 -2.504 0.000) 2.504 12.387 ( 0.000 -0.032 0.000) 0.032 12.472 ( 0.000 -2.079 0.000) 2.079 12.674 ( 0.000 0.690 0.000) 0.690 12.690 ( 0.000 1.020 0.000) 1.020 13.810 ( 0.000 0.493 0.000) 0.493 13.918 ( 0.000 -0.723 0.000) 0.723 13.985 ( 0.000 1.941 0.000) 1.941 14.101 ( 0.000 0.021 0.000) 0.021 14.238 ( 0.000 -1.489 0.000) 1.489 14.335 ( 0.000 1.224 0.000) 1.224 14.391 ( 0.000 -3.289 0.000) 3.289 14.473 ( 0.000 0.325 0.000) 0.325 16.647 ( 0.000 -0.979 0.000) 0.979 16.692 ( 0.000 -0.441 0.000) 0.441 16.766 ( 0.000 1.389 0.000) 1.389 16.774 ( 0.000 0.706 0.000) 0.706 16.969 ( 0.000 1.443 0.000) 1.443 17.036 ( 0.000 0.542 0.000) 0.542 17.171 ( 0.000 0.509 0.000) 0.509 17.176 ( 0.000 -0.088 0.000) 0.088 17.429 ( 0.000 0.766 0.000) 0.766 17.464 ( 0.000 -0.048 0.000) 0.048 17.558 ( 0.000 0.204 0.000) 0.204 17.641 ( 0.000 -1.319 0.000) 1.319 17.695 ( 0.000 -1.489 0.000) 1.489 17.730 ( 0.000 -0.890 0.000) 0.890 17.774 ( 0.000 0.501 0.000) 0.501 17.787 ( 0.000 -0.081 0.000) 0.081 18.866 ( 0.000 0.875 0.000) 0.875 19.029 ( 0.000 -0.747 0.000) 0.747 19.072 ( 0.000 -0.105 0.000) 0.105 19.084 ( 0.000 -0.334 0.000) 0.334 19.288 ( 0.000 -0.412 0.000) 0.412 19.345 ( 0.000 -1.829 0.000) 1.829 19.378 ( 0.000 0.355 0.000) 0.355 19.445 ( 0.000 -0.328 0.000) 0.328 27.755 ( 0.000 0.381 0.000) 0.381 27.837 ( 0.000 -1.037 0.000) 1.037 27.934 ( 0.000 -1.903 0.000) 1.903 27.994 ( 0.000 -2.556 0.000) 2.556 28.151 ( 0.000 1.733 0.000) 1.733 28.284 ( 0.000 -1.926 0.000) 1.926 28.437 ( 0.000 5.431 0.000) 5.431 28.458 ( 0.000 0.183 0.000) 0.183 28.615 ( 0.000 -2.272 0.000) 2.272 28.713 ( 0.000 3.372 0.000) 3.372 28.945 ( 0.000 -1.987 0.000) 1.987 28.947 ( 0.000 1.227 0.000) 1.227 29.622 ( 0.000 2.076 0.000) 2.076 29.946 ( 0.000 -2.695 0.000) 2.695 30.334 ( 0.000 1.441 0.000) 1.441 30.525 ( 0.000 1.823 0.000) 1.823 31.137 ( 0.000 0.837 0.000) 0.837 31.138 ( 0.000 0.138 0.000) 0.138 31.790 ( 0.000 -0.759 0.000) 0.759 31.948 ( 0.000 1.139 0.000) 1.139 32.060 ( 0.000 -3.977 0.000) 3.977 32.167 ( 0.000 -0.326 0.000) 0.326 32.901 ( 0.000 10.613 0.000) 10.613 34.515 ( 0.000 -9.532 0.000) 9.532 35.569 ( 0.000 -1.063 0.000) 1.063 35.669 ( 0.000 -3.830 0.000) 3.830 35.692 ( 0.000 3.210 0.000) 3.210 36.003 ( 0.000 -0.103 0.000) 0.103 36.035 ( 0.000 3.302 0.000) 3.302 36.204 ( 0.000 6.700 0.000) 6.700 36.680 ( 0.000 -4.064 0.000) 4.064 37.214 ( 0.000 -5.544 0.000) 5.544 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 11.626 14.785 -1.537) 18.872 0.793 ( 18.247 20.410 15.714) 31.567 1.116 ( 7.845 43.166 -0.180) 43.874 1.971 ( -0.676 -2.038 7.473) 7.775 2.125 ( 2.570 9.816 0.049) 10.147 2.256 ( -4.703 3.290 8.149) 9.968 2.303 ( 0.152 -4.421 0.582) 4.462 2.404 ( -1.044 7.345 -5.167) 9.041 2.460 ( -4.607 -0.604 4.621) 6.553 2.535 ( 1.056 3.002 -4.577) 5.575 2.642 ( 1.905 -3.930 3.260) 5.450 2.711 ( 2.633 0.680 -1.955) 3.350 2.759 ( -2.664 5.856 1.448) 6.594 2.906 ( -3.381 1.905 1.374) 4.117 2.981 ( 0.928 1.972 2.441) 3.272 3.008 ( -1.281 -0.894 1.503) 2.167 3.167 ( -3.261 -3.068 2.038) 4.919 3.192 ( -3.266 -0.649 -3.110) 4.556 3.263 ( -0.196 0.290 0.710) 0.792 3.321 ( 4.454 -1.029 -1.696) 4.876 3.381 ( 7.129 3.275 2.162) 8.137 3.496 ( -0.470 -2.387 -4.464) 5.084 3.536 ( -1.551 -1.887 -1.457) 2.845 3.543 ( 4.306 -3.614 -3.615) 6.684 3.654 ( 0.845 1.304 -0.151) 1.561 3.673 ( 3.707 -1.785 0.285) 4.125 3.693 ( -3.028 -2.102 1.368) 3.932 3.845 ( -0.329 -1.499 -0.790) 1.726 3.913 ( -2.550 -1.582 -1.976) 3.593 4.013 ( 2.410 -2.062 -2.581) 4.089 4.037 ( 1.983 -2.087 -6.055) 6.705 4.127 ( 0.305 -2.428 3.400) 4.189 4.146 ( -1.842 2.017 2.127) 3.462 4.372 ( -6.358 -0.690 -4.278) 7.694 4.461 ( -0.560 -3.079 1.170) 3.341 4.496 ( -1.552 -4.520 -2.433) 5.362 4.591 ( -0.627 -0.232 -2.056) 2.162 4.718 ( -1.324 0.010 -2.004) 2.401 4.746 ( -2.414 2.030 1.149) 3.357 4.769 ( -3.314 3.589 4.118) 6.390 4.798 ( -3.825 2.491 -0.562) 4.599 4.924 ( -2.823 4.012 3.114) 5.811 4.937 ( 0.146 1.616 4.929) 5.189 5.040 ( -0.889 -0.654 -0.580) 1.247 5.070 ( -2.731 1.591 -7.025) 7.703 5.121 ( 2.421 4.614 0.912) 5.290 5.174 ( 2.576 -2.816 -11.379) 12.002 5.267 ( 1.021 -2.158 -1.072) 2.618 5.299 ( -1.333 -3.741 0.788) 4.048 5.476 ( -1.333 -3.920 -6.271) 7.514 5.478 ( -1.038 1.288 -0.642) 1.775 5.566 ( 1.457 2.188 0.803) 2.748 5.603 ( -0.748 1.322 -0.343) 1.558 5.652 ( -5.077 8.444 -1.480) 9.963 5.727 ( 0.632 5.106 1.972) 5.510 5.791 ( 1.238 3.971 0.758) 4.228 6.004 ( -0.566 1.598 -1.541) 2.291 6.079 ( -0.084 3.448 2.223) 4.103 6.136 ( 2.328 5.338 3.067) 6.582 6.188 ( 1.101 -0.271 2.336) 2.597 6.280 ( 2.979 -6.884 0.607) 7.525 6.578 ( -2.130 -0.536 -3.458) 4.097 6.707 ( 0.826 3.232 0.863) 3.445 6.759 ( 0.782 -0.204 0.559) 0.983 6.944 ( 10.431 -5.909 8.131) 14.486 7.096 ( 0.829 -0.363 0.802) 1.209 7.259 ( 0.085 5.658 -0.986) 5.744 7.444 ( -5.643 2.197 11.423) 12.929 7.721 ( -1.305 3.090 1.801) 3.807 7.845 ( -0.587 -2.496 2.282) 3.433 7.937 ( -1.528 0.723 -3.342) 3.745 8.081 ( -0.525 -5.687 -3.429) 6.662 11.911 ( -3.305 2.342 -0.019) 4.051 11.980 ( -3.470 1.185 -0.696) 3.732 12.278 ( 0.018 -1.985 0.157) 1.992 12.300 ( -0.707 -1.246 -0.032) 1.433 12.416 ( 2.351 -0.740 -0.055) 2.466 12.438 ( -2.498 -1.657 -0.357) 3.019 12.686 ( 1.515 0.539 0.064) 1.610 12.735 ( 3.277 1.178 0.267) 3.493 13.812 ( 0.115 0.411 0.883) 0.981 13.915 ( -0.272 -0.502 -0.343) 0.666 13.984 ( -0.095 1.911 -0.800) 2.074 14.090 ( -1.105 0.203 0.332) 1.171 14.243 ( 0.429 -1.432 0.701) 1.651 14.331 ( -0.354 1.119 -0.518) 1.283 14.394 ( 0.255 -3.376 -0.626) 3.443 14.473 ( 0.014 0.279 -0.719) 0.771 16.619 ( -3.743 0.911 0.106) 3.854 16.652 ( -3.310 -0.283 0.477) 3.356 16.689 ( -1.091 -1.099 -0.591) 1.657 16.777 ( -3.826 -0.316 -1.209) 4.025 16.960 ( -0.237 1.676 -0.380) 1.735 17.053 ( 1.237 1.309 -0.767) 1.957 17.207 ( 3.716 -0.330 -0.149) 3.734 17.234 ( 3.517 1.277 0.552) 3.782 17.381 ( -0.901 1.279 -0.352) 1.604 17.492 ( 0.215 -0.711 -2.657) 2.758 17.563 ( 0.848 -0.280 -0.534) 1.041 17.625 ( -0.901 -0.890 -0.290) 1.299 17.681 ( -0.924 -0.126 0.003) 0.933 17.734 ( 0.442 -1.264 1.030) 1.690 17.782 ( -0.436 0.592 0.446) 0.860 17.796 ( 1.332 0.583 0.555) 1.557 18.939 ( 2.127 -4.417 5.679) 7.502 19.028 ( -0.722 -1.074 5.477) 5.628 19.076 ( 0.435 -0.274 3.508) 3.546 19.117 ( 2.675 -0.844 0.956) 2.964 19.277 ( -0.162 -1.784 -1.392) 2.268 19.325 ( -2.056 -1.370 -2.180) 3.295 19.395 ( 2.004 1.529 0.375) 2.548 19.502 ( 4.061 -0.259 1.066) 4.207 27.753 ( -0.232 0.351 -0.129) 0.440 27.834 ( -0.033 -0.604 -0.496) 0.782 27.927 ( -0.248 -1.012 0.013) 1.042 28.000 ( -0.676 -0.717 0.674) 1.194 28.116 ( -1.595 1.968 0.193) 2.541 28.300 ( 0.617 -2.869 -0.535) 2.983 28.433 ( -0.071 4.931 0.283) 4.940 28.455 ( -0.387 1.834 0.462) 1.931 28.560 ( -5.490 -0.685 -0.684) 5.574 28.718 ( 0.691 4.244 -1.242) 4.475 28.889 ( -6.030 11.660 2.288) 13.325 28.939 ( -0.516 -2.178 -0.707) 2.347 29.419 ( -9.787 14.119 -2.658) 17.384 29.926 ( -1.741 -1.519 -3.562) 4.246 30.150 ( -11.543 13.612 24.451) 30.272 30.311 ( -2.304 1.603 -0.124) 2.809 31.134 ( 0.294 0.225 1.323) 1.374 31.175 ( 1.572 -0.646 -21.308) 21.375 31.743 ( 0.181 3.231 -0.826) 3.340 31.929 ( -0.623 0.020 0.179) 0.649 32.080 ( 1.700 -4.311 -2.891) 5.462 32.183 ( 1.748 -0.172 -0.180) 1.766 32.862 ( -5.133 11.943 1.676) 13.107 34.344 ( -8.188 -4.640 2.939) 9.860 35.475 ( 2.492 -0.076 -0.565) 2.556 35.660 ( 2.084 3.944 -1.221) 4.625 35.840 ( 0.124 -3.653 -5.513) 6.615 36.000 ( -1.861 -0.813 0.758) 2.168 36.172 ( 1.002 3.657 0.725) 3.861 36.405 ( 4.869 -7.274 2.776) 9.183 36.931 ( 20.058 -22.436 3.825) 30.337 37.215 ( 0.173 -5.828 -0.017) 5.830 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 14.041 3.429 -1.692) 14.552 1.159 ( 14.578 17.147 19.882) 30.030 1.244 ( 5.108 30.357 -5.319) 31.240 2.025 ( 3.305 3.812 15.102) 15.922 2.115 ( -2.285 5.389 -2.891) 6.529 2.209 ( -0.071 4.933 1.009) 5.035 2.297 ( -0.155 -2.222 -1.415) 2.639 2.341 ( -2.788 4.308 4.900) 7.095 2.415 ( -1.974 8.119 -5.024) 9.750 2.510 ( -2.976 4.741 -5.345) 7.740 2.651 ( -2.531 -1.836 1.995) 3.709 2.723 ( -0.861 2.868 1.182) 3.219 2.749 ( 1.128 -0.294 3.208) 3.414 2.810 ( -3.172 1.356 0.654) 3.511 2.988 ( 0.582 -2.839 -1.572) 3.297 3.027 ( -4.171 -2.087 0.393) 4.680 3.067 ( -2.761 -4.433 0.693) 5.268 3.208 ( 0.288 -3.148 1.582) 3.535 3.222 ( 0.977 0.858 0.165) 1.310 3.378 ( 2.682 1.764 -1.377) 3.493 3.399 ( -3.456 1.844 -2.752) 4.787 3.539 ( 4.617 -1.759 4.093) 6.416 3.569 ( 5.180 0.523 0.387) 5.221 3.641 ( 3.550 -4.766 -1.500) 6.129 3.654 ( 0.250 -1.182 2.364) 2.655 3.736 ( 5.554 -0.136 -1.334) 5.713 3.752 ( 3.654 0.265 1.117) 3.830 3.816 ( -0.858 -0.738 -2.563) 2.802 3.885 ( -0.731 0.015 0.351) 0.811 3.989 ( -3.827 -4.582 -4.416) 7.426 4.001 ( -4.760 2.527 -4.776) 7.201 4.108 ( -1.206 -1.290 0.228) 1.781 4.178 ( 0.464 -1.559 0.256) 1.647 4.253 ( -3.546 -2.594 -3.340) 5.518 4.404 ( -6.539 0.248 -3.600) 7.469 4.470 ( 1.430 -2.214 0.714) 2.730 4.565 ( -1.943 -1.972 0.215) 2.777 4.660 ( -4.547 4.357 2.343) 6.719 4.673 ( -2.875 1.980 -1.093) 3.658 4.733 ( -3.511 3.702 -0.152) 5.104 4.743 ( 1.126 3.214 4.283) 5.472 4.840 ( -2.915 8.285 -6.483) 10.916 4.941 ( -0.512 -1.720 2.348) 2.955 5.025 ( -0.350 -0.642 -0.125) 0.742 5.064 ( 0.852 -0.734 -3.165) 3.358 5.166 ( 2.035 3.289 -1.341) 4.093 5.207 ( 1.332 -5.643 -6.381) 8.622 5.264 ( -0.523 -4.107 -3.590) 5.480 5.296 ( 0.150 -2.591 6.661) 7.149 5.437 ( -1.171 -2.497 -1.553) 3.165 5.507 ( 2.907 -0.429 -1.806) 3.449 5.569 ( 0.498 1.224 -1.842) 2.267 5.609 ( 0.345 3.706 1.717) 4.099 5.648 ( 0.289 2.294 2.369) 3.310 5.753 ( 1.755 4.572 -0.507) 4.923 5.809 ( 0.354 5.372 2.021) 5.751 6.002 ( 0.192 0.721 0.104) 0.753 6.104 ( 2.040 2.793 1.914) 3.953 6.173 ( 1.308 3.891 -0.535) 4.139 6.212 ( 0.804 1.257 0.389) 1.542 6.359 ( 3.747 -10.380 1.447) 11.130 6.526 ( -2.333 0.417 -1.280) 2.694 6.729 ( 1.581 2.285 -0.813) 2.895 6.769 ( 0.068 0.715 1.091) 1.306 7.074 ( 3.882 -3.113 2.679) 5.651 7.115 ( 0.860 -0.811 1.539) 1.941 7.262 ( 0.184 6.345 -0.907) 6.412 7.345 ( -4.920 5.706 6.386) 9.877 7.698 ( -1.025 2.914 0.670) 3.161 7.829 ( -1.113 -2.214 3.286) 4.116 7.902 ( -1.442 0.847 -3.512) 3.890 8.068 ( -0.512 -6.737 -1.612) 6.946 11.855 ( -2.188 2.302 -0.068) 3.176 11.908 ( -3.238 1.266 -0.356) 3.495 12.250 ( -1.680 -2.149 0.314) 2.746 12.312 ( 0.722 -1.359 -0.086) 1.541 12.384 ( -1.782 -1.055 -0.439) 2.117 12.471 ( 2.114 -1.563 0.152) 2.633 12.718 ( 1.447 0.685 -0.111) 1.605 12.791 ( 2.203 1.143 0.209) 2.491 13.815 ( 0.138 0.351 0.765) 0.853 13.911 ( 0.006 -0.293 -0.297) 0.417 13.981 ( -0.079 1.866 -0.726) 2.003 14.064 ( -1.435 0.773 0.267) 1.652 14.253 ( 0.428 -1.359 0.781) 1.625 14.323 ( -0.339 0.976 -0.590) 1.190 14.398 ( 0.147 -3.498 -0.649) 3.561 14.472 ( 0.011 0.154 -0.637) 0.656 16.546 ( -2.714 0.943 0.553) 2.926 16.617 ( -1.314 -0.027 0.696) 1.488 16.657 ( -1.683 -1.213 -0.979) 2.294 16.694 ( -3.672 -1.461 -0.586) 3.995 16.964 ( 0.574 1.206 -0.312) 1.372 17.072 ( 0.736 1.701 -0.099) 1.856 17.268 ( 1.811 0.919 0.001) 2.031 17.286 ( 2.059 0.666 0.320) 2.187 17.398 ( 1.797 -0.287 -0.560) 1.904 17.482 ( -0.628 0.006 -0.705) 0.945 17.582 ( 0.868 -0.773 -0.805) 1.414 17.613 ( -0.373 -1.208 0.641) 1.418 17.668 ( -0.429 -0.525 -0.671) 0.954 17.746 ( 0.606 -1.191 0.941) 1.634 17.767 ( -0.872 1.643 0.433) 1.910 17.820 ( 0.947 0.696 0.311) 1.216 18.951 ( -0.210 -2.570 0.065) 2.579 19.007 ( -1.403 -1.465 4.118) 4.590 19.092 ( 1.047 0.109 3.911) 4.050 19.170 ( 2.417 -1.804 1.626) 3.426 19.268 ( -1.159 -2.134 -3.279) 4.080 19.279 ( -1.857 -1.666 -1.438) 2.879 19.437 ( 1.833 3.816 1.121) 4.379 19.572 ( 2.773 0.057 0.823) 2.893 27.748 ( -0.249 0.221 -0.139) 0.361 27.846 ( 1.431 -0.106 -0.065) 1.437 27.927 ( -0.171 -0.079 -0.673) 0.699 27.957 ( -2.757 2.413 1.175) 3.848 28.119 ( 1.089 -0.105 -0.250) 1.122 28.288 ( -1.594 -4.156 -0.468) 4.476 28.434 ( -2.003 4.510 0.302) 4.944 28.441 ( 0.611 3.533 0.059) 3.586 28.470 ( -1.947 1.478 0.201) 2.453 28.731 ( 0.452 5.280 -1.374) 5.474 28.803 ( -2.316 12.153 2.273) 12.579 28.928 ( -0.431 -2.365 -0.524) 2.461 29.394 ( 3.182 4.028 -0.040) 5.133 29.892 ( -1.323 -0.488 -2.330) 2.724 30.080 ( -0.994 4.654 9.602) 10.717 30.257 ( -2.803 2.135 -0.163) 3.527 31.144 ( 0.444 0.057 2.853) 2.888 31.175 ( 0.104 -0.044 -11.307) 11.307 31.785 ( 2.995 1.964 0.641) 3.638 31.921 ( -0.252 -0.360 0.552) 0.705 32.102 ( 0.652 -4.417 -2.044) 4.910 32.230 ( 2.685 -0.258 -1.298) 2.994 32.744 ( -5.742 12.750 0.574) 13.995 34.218 ( -5.358 -6.226 3.555) 8.950 35.577 ( 6.964 -1.932 -0.091) 7.228 35.718 ( 3.908 3.065 -1.022) 5.070 35.806 ( -2.909 -1.445 -2.756) 4.260 35.934 ( -5.008 -0.847 0.731) 5.131 36.203 ( 2.348 3.997 -1.018) 4.746 36.391 ( -3.073 -2.887 1.116) 4.362 37.165 ( 5.308 -15.316 1.745) 16.304 37.221 ( 0.540 -7.875 0.072) 7.893 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.000 -6.333 -0.000) 6.333 1.234 ( 0.000 34.652 0.000) 34.652 1.363 ( 0.000 11.925 -0.000) 11.925 2.017 ( 0.000 8.655 -0.000) 8.655 2.137 ( 0.000 8.746 0.000) 8.746 2.271 ( 0.000 -4.291 0.000) 4.291 2.304 ( 0.000 1.546 -0.000) 1.546 2.316 ( -0.000 3.511 -0.001) 3.511 2.317 ( 0.000 3.382 0.001) 3.382 2.472 ( 0.000 13.181 -0.000) 13.181 2.606 ( 0.000 -1.167 0.000) 1.167 2.710 ( 0.000 8.101 -0.000) 8.101 2.736 ( 0.000 -2.609 0.000) 2.609 2.861 ( 0.000 -8.371 -0.000) 8.371 2.899 ( -0.000 5.479 0.000) 5.479 3.030 ( 0.000 -8.027 -0.000) 8.027 3.034 ( -0.000 -3.791 0.000) 3.791 3.168 ( 0.000 -1.843 0.000) 1.843 3.276 ( 0.000 1.696 0.000) 1.696 3.370 ( 0.000 1.543 0.000) 1.543 3.421 ( 0.000 0.465 -0.000) 0.465 3.561 ( 0.000 -2.343 -0.000) 2.343 3.649 ( 0.000 0.192 -0.000) 0.192 3.655 ( -0.000 -3.664 0.000) 3.664 3.732 ( 0.000 0.523 0.000) 0.523 3.733 ( -0.000 -3.457 -0.000) 3.457 3.837 ( 0.000 2.288 -0.000) 2.288 3.845 ( 0.000 0.962 -0.000) 0.962 3.898 ( 0.000 -0.379 -0.000) 0.379 3.903 ( 0.000 1.488 0.000) 1.488 3.904 ( -0.000 -1.958 -0.000) 1.958 4.076 ( 0.000 -3.619 -0.000) 3.619 4.147 ( 0.000 3.841 0.000) 3.841 4.249 ( 0.000 -5.394 -0.000) 5.394 4.328 ( 0.000 0.912 0.000) 0.912 4.495 ( 0.000 -1.948 -0.000) 1.948 4.541 ( 0.000 -1.283 -0.000) 1.283 4.608 ( 0.000 2.564 -0.000) 2.564 4.644 ( 0.000 0.956 -0.000) 0.956 4.694 ( 0.000 5.735 0.000) 5.735 4.785 ( -0.000 4.428 -0.000) 4.428 4.789 ( 0.000 5.896 0.000) 5.896 4.933 ( 0.000 -2.148 0.000) 2.148 5.022 ( 0.000 -0.704 0.000) 0.704 5.072 ( 0.000 -1.716 0.000) 1.716 5.187 ( 0.000 1.597 0.000) 1.597 5.213 ( 0.000 -4.705 0.000) 4.705 5.262 ( 0.000 -6.078 -0.000) 6.078 5.299 ( 0.000 -1.055 0.000) 1.055 5.426 ( 0.000 -4.028 -0.000) 4.028 5.550 ( 0.000 -1.414 -0.000) 1.414 5.572 ( 0.000 2.182 -0.000) 2.182 5.606 ( 0.000 5.184 0.000) 5.184 5.650 ( 0.000 1.130 -0.000) 1.130 5.773 ( 0.000 5.965 0.000) 5.965 5.813 ( 0.000 4.399 -0.000) 4.399 6.005 ( 0.000 0.547 0.000) 0.547 6.133 ( 0.000 2.765 0.000) 2.765 6.186 ( 0.000 2.298 -0.000) 2.298 6.216 ( 0.000 2.780 0.000) 2.780 6.399 ( 0.000 -11.509 -0.000) 11.509 6.502 ( 0.000 0.690 -0.000) 0.690 6.754 ( 0.000 -0.621 0.000) 0.621 6.763 ( 0.000 3.184 -0.000) 3.184 7.117 ( 0.000 -3.007 -0.000) 3.007 7.123 ( 0.000 -0.860 0.000) 0.860 7.263 ( 0.000 8.954 0.000) 8.954 7.291 ( 0.000 5.238 0.000) 5.238 7.688 ( 0.000 2.976 -0.000) 2.976 7.817 ( 0.000 -2.323 -0.000) 2.323 7.886 ( 0.000 0.903 0.000) 0.903 8.061 ( 0.000 -6.644 -0.000) 6.644 11.834 ( 0.000 2.565 0.000) 2.565 11.874 ( 0.000 0.940 -0.000) 0.940 12.233 ( 0.000 -2.005 0.000) 2.005 12.316 ( 0.000 -1.905 -0.000) 1.905 12.369 ( 0.000 -0.465 0.000) 0.465 12.492 ( 0.000 -1.941 0.000) 1.941 12.733 ( 0.000 0.794 -0.000) 0.794 12.813 ( 0.000 1.108 -0.000) 1.108 13.817 ( 0.000 0.347 0.000) 0.347 13.912 ( 0.000 -0.336 0.000) 0.336 13.980 ( 0.000 1.853 0.000) 1.853 14.047 ( 0.000 1.174 0.000) 1.174 14.258 ( 0.000 -1.334 -0.000) 1.334 14.319 ( 0.000 0.936 -0.000) 0.936 14.399 ( 0.000 -3.511 0.000) 3.511 14.472 ( 0.000 0.028 0.000) 0.028 16.521 ( 0.000 0.359 0.000) 0.359 16.605 ( 0.000 1.138 -0.000) 1.138 16.633 ( 0.000 0.389 0.000) 0.389 16.659 ( 0.000 -3.680 0.000) 3.680 16.971 ( 0.000 0.949 -0.000) 0.949 17.079 ( 0.000 1.551 -0.000) 1.551 17.282 ( 0.000 1.509 -0.000) 1.509 17.308 ( 0.000 -0.023 0.000) 0.023 17.419 ( 0.000 -0.248 -0.000) 0.248 17.475 ( 0.000 0.161 0.000) 0.161 17.590 ( 0.000 -0.751 0.000) 0.751 17.610 ( 0.000 -1.469 -0.000) 1.469 17.663 ( 0.000 -1.170 0.000) 1.170 17.753 ( 0.000 -2.047 -0.000) 2.047 17.758 ( 0.000 3.319 -0.000) 3.319 17.830 ( 0.000 0.638 -0.000) 0.638 18.947 ( 0.000 -1.627 -0.000) 1.627 18.994 ( 0.000 -1.597 -0.000) 1.597 19.110 ( 0.000 -0.152 0.000) 0.152 19.197 ( 0.000 -2.224 -0.000) 2.224 19.250 ( 0.000 -2.141 -0.000) 2.141 19.257 ( 0.000 -1.250 0.000) 1.250 19.457 ( 0.000 4.647 0.000) 4.647 19.600 ( 0.000 0.067 0.000) 0.067 27.745 ( 0.000 0.129 0.000) 0.129 27.882 ( 0.000 -2.570 -0.000) 2.570 27.895 ( -0.000 4.834 -0.000) 4.834 27.940 ( 0.000 0.390 -0.000) 0.390 28.133 ( 0.000 0.530 0.000) 0.530 28.265 ( 0.000 -5.289 -0.000) 5.289 28.412 ( 0.000 2.255 0.000) 2.255 28.447 ( 0.000 1.228 0.000) 1.228 28.459 ( 0.000 5.610 -0.000) 5.610 28.733 ( 0.000 5.923 -0.000) 5.923 28.787 ( 0.000 9.884 0.000) 9.884 28.924 ( 0.000 -2.454 -0.000) 2.454 29.438 ( 0.000 1.469 0.000) 1.469 29.877 ( 0.000 -0.449 -0.000) 0.449 30.077 ( 0.000 3.088 0.000) 3.088 30.225 ( 0.000 2.551 0.000) 2.551 31.151 ( 0.000 -0.164 -0.000) 0.164 31.169 ( 0.000 0.278 0.000) 0.278 31.821 ( 0.000 1.398 -0.000) 1.398 31.919 ( 0.000 -0.276 -0.000) 0.276 32.106 ( 0.000 -4.324 0.000) 4.324 32.259 ( 0.000 -0.118 -0.000) 0.118 32.683 ( 0.000 12.533 -0.000) 12.533 34.162 ( 0.000 -6.300 0.000) 6.300 35.697 ( 0.000 -1.763 0.000) 1.763 35.721 ( -0.000 -2.789 -0.000) 2.789 35.813 ( 0.000 1.651 -0.000) 1.651 35.834 ( 0.000 2.004 0.000) 2.004 36.237 ( 0.000 3.597 -0.000) 3.597 36.349 ( -0.000 -2.326 0.000) 2.326 37.204 ( 0.000 -7.588 0.000) 7.588 37.233 ( 0.000 -12.276 -0.000) 12.276 ======================= Grid point 14 (9/64) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.000 23.837 0.000) 23.837 1.122 ( 0.000 26.529 0.000) 26.529 1.845 ( 0.000 17.439 0.000) 17.439 1.981 ( 0.000 14.501 0.000) 14.501 2.180 ( 0.000 -4.143 0.000) 4.143 2.245 ( 0.000 2.266 0.000) 2.266 2.310 ( 0.000 -7.024 0.000) 7.024 2.466 ( 0.000 6.356 0.000) 6.356 2.503 ( 0.000 2.535 0.000) 2.535 2.635 ( 0.000 6.571 0.000) 6.571 2.652 ( 0.000 4.378 0.000) 4.378 2.708 ( 0.000 3.875 0.000) 3.875 2.933 ( 0.000 1.079 0.000) 1.079 2.963 ( 0.000 7.257 0.000) 7.257 3.020 ( 0.000 2.226 0.000) 2.226 3.112 ( 0.000 1.271 0.000) 1.271 3.157 ( 0.000 -1.671 0.000) 1.671 3.187 ( 0.000 -0.559 0.000) 0.559 3.216 ( 0.000 -2.404 0.000) 2.404 3.300 ( 0.000 1.497 0.000) 1.497 3.349 ( 0.000 -5.102 0.000) 5.102 3.369 ( 0.000 2.240 0.000) 2.240 3.499 ( 0.000 -1.988 0.000) 1.988 3.558 ( 0.000 -2.121 0.000) 2.121 3.581 ( 0.000 -1.694 0.000) 1.694 3.622 ( 0.000 -0.974 0.000) 0.974 3.674 ( 0.000 -3.306 0.000) 3.306 3.883 ( 0.000 -4.855 0.000) 4.855 3.893 ( 0.000 -1.799 0.000) 1.799 3.906 ( 0.000 -6.487 0.000) 6.487 3.941 ( 0.000 3.250 0.000) 3.250 4.049 ( 0.000 -2.797 0.000) 2.797 4.220 ( 0.000 -2.006 0.000) 2.006 4.382 ( 0.000 -0.303 0.000) 0.303 4.421 ( 0.000 -0.979 0.000) 0.979 4.455 ( 0.000 -3.512 0.000) 3.512 4.596 ( 0.000 -0.976 0.000) 0.976 4.718 ( 0.000 -1.907 0.000) 1.907 4.762 ( 0.000 -0.829 0.000) 0.829 4.854 ( 0.000 -1.395 0.000) 1.395 4.886 ( 0.000 2.116 0.000) 2.116 4.887 ( 0.000 5.227 0.000) 5.227 4.968 ( 0.000 -1.736 0.000) 1.736 5.028 ( 0.000 -1.099 0.000) 1.099 5.099 ( 0.000 0.139 0.000) 0.139 5.109 ( 0.000 -2.975 0.000) 2.975 5.191 ( 0.000 -2.049 0.000) 2.049 5.211 ( 0.000 -4.056 0.000) 4.056 5.315 ( 0.000 12.841 0.000) 12.841 5.480 ( 0.000 1.049 0.000) 1.049 5.518 ( 0.000 2.084 0.000) 2.084 5.583 ( 0.000 0.239 0.000) 0.239 5.630 ( 0.000 3.822 0.000) 3.822 5.826 ( 0.000 2.473 0.000) 2.473 5.836 ( 0.000 -0.836 0.000) 0.836 5.875 ( 0.000 10.207 0.000) 10.207 6.025 ( 0.000 -2.192 0.000) 2.192 6.135 ( 0.000 -0.786 0.000) 0.786 6.141 ( 0.000 1.402 0.000) 1.402 6.226 ( 0.000 4.740 0.000) 4.740 6.325 ( 0.000 -2.041 0.000) 2.041 6.459 ( 0.000 -6.189 0.000) 6.189 6.672 ( 0.000 1.241 0.000) 1.241 6.802 ( 0.000 4.792 0.000) 4.792 6.837 ( 0.000 2.966 0.000) 2.966 7.071 ( 0.000 -1.524 0.000) 1.524 7.374 ( 0.000 5.029 0.000) 5.029 7.416 ( 0.000 -4.185 0.000) 4.185 7.785 ( 0.000 -2.898 0.000) 2.898 7.796 ( 0.000 2.440 0.000) 2.440 7.964 ( 0.000 0.472 0.000) 0.472 8.021 ( 0.000 -3.541 0.000) 3.541 12.007 ( 0.000 3.168 0.000) 3.168 12.042 ( 0.000 1.768 0.000) 1.768 12.241 ( 0.000 -2.654 0.000) 2.654 12.247 ( 0.000 -3.791 0.000) 3.791 12.389 ( 0.000 0.240 0.000) 0.240 12.432 ( 0.000 -1.616 0.000) 1.616 12.691 ( 0.000 0.959 0.000) 0.959 12.710 ( 0.000 0.863 0.000) 0.863 13.824 ( 0.000 0.925 0.000) 0.925 13.899 ( 0.000 -1.208 0.000) 1.208 14.041 ( 0.000 3.555 0.000) 3.555 14.106 ( 0.000 0.544 0.000) 0.544 14.202 ( 0.000 -2.070 0.000) 2.070 14.313 ( 0.000 -4.443 0.000) 4.443 14.365 ( 0.000 1.771 0.000) 1.771 14.467 ( 0.000 -0.864 0.000) 0.864 16.637 ( 0.000 0.046 0.000) 0.046 16.681 ( 0.000 -0.700 0.000) 0.700 16.788 ( 0.000 0.728 0.000) 0.728 16.788 ( 0.000 0.631 0.000) 0.631 17.010 ( 0.000 2.625 0.000) 2.625 17.056 ( 0.000 1.346 0.000) 1.346 17.170 ( 0.000 -0.538 0.000) 0.538 17.176 ( 0.000 -0.244 0.000) 0.244 17.454 ( 0.000 1.750 0.000) 1.750 17.470 ( 0.000 0.829 0.000) 0.829 17.559 ( 0.000 -0.241 0.000) 0.241 17.605 ( 0.000 -2.226 0.000) 2.226 17.665 ( 0.000 -1.281 0.000) 1.281 17.704 ( 0.000 -1.567 0.000) 1.567 17.781 ( 0.000 0.137 0.000) 0.137 17.785 ( 0.000 -0.151 0.000) 0.151 18.891 ( 0.000 1.580 0.000) 1.580 19.006 ( 0.000 -1.565 0.000) 1.565 19.069 ( 0.000 -0.103 0.000) 0.103 19.077 ( 0.000 -0.334 0.000) 0.334 19.280 ( 0.000 -0.294 0.000) 0.294 19.309 ( 0.000 -1.578 0.000) 1.578 19.385 ( 0.000 0.317 0.000) 0.317 19.430 ( 0.000 -1.109 0.000) 1.109 27.768 ( 0.000 0.820 0.000) 0.820 27.812 ( 0.000 -1.258 0.000) 1.258 27.902 ( 0.000 -1.324 0.000) 1.324 27.934 ( 0.000 -3.050 0.000) 3.050 28.185 ( 0.000 1.522 0.000) 1.522 28.255 ( 0.000 -1.139 0.000) 1.139 28.463 ( 0.000 0.443 0.000) 0.443 28.534 ( 0.000 1.766 0.000) 1.766 28.583 ( 0.000 1.617 0.000) 1.617 28.793 ( 0.000 4.080 0.000) 4.080 28.888 ( 0.000 -3.519 0.000) 3.519 28.963 ( 0.000 0.051 0.000) 0.051 29.681 ( 0.000 3.664 0.000) 3.664 29.886 ( 0.000 -3.103 0.000) 3.103 30.378 ( 0.000 2.984 0.000) 2.984 30.549 ( 0.000 0.084 0.000) 0.084 31.145 ( 0.000 0.563 0.000) 0.563 31.156 ( 0.000 0.935 0.000) 0.935 31.782 ( 0.000 0.246 0.000) 0.246 31.972 ( 0.000 -4.671 0.000) 4.671 31.981 ( 0.000 2.094 0.000) 2.094 32.142 ( 0.000 -2.078 0.000) 2.078 33.183 ( 0.000 16.836 0.000) 16.836 34.260 ( 0.000 -15.470 0.000) 15.470 35.550 ( 0.000 -0.754 0.000) 0.754 35.597 ( 0.000 -3.028 0.000) 3.028 35.764 ( 0.000 3.833 0.000) 3.833 35.974 ( 0.000 -2.494 0.000) 2.494 36.129 ( 0.000 5.903 0.000) 5.903 36.386 ( 0.000 10.752 0.000) 10.752 36.568 ( 0.000 -6.856 0.000) 6.856 37.061 ( 0.000 -9.482 0.000) 9.482 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 1.349 21.085 -0.029) 21.128 1.245 ( 11.438 23.494 9.183) 27.697 1.905 ( 4.706 19.511 0.162) 20.071 1.957 ( -0.931 11.653 2.583) 11.972 2.207 ( 1.911 -3.293 0.367) 3.825 2.265 ( 1.942 -0.969 -0.382) 2.204 2.324 ( -0.002 -1.009 8.736) 8.794 2.449 ( -0.633 4.655 5.189) 7.000 2.541 ( 1.651 3.311 -1.287) 3.917 2.619 ( -4.743 9.081 -0.169) 10.247 2.637 ( 1.848 4.165 -0.824) 4.630 2.686 ( -0.608 -1.436 -2.505) 2.951 2.896 ( -3.956 3.085 5.936) 7.772 2.922 ( -3.889 3.469 -0.021) 5.211 3.036 ( 0.286 4.034 0.450) 4.069 3.067 ( -2.555 4.804 0.647) 5.480 3.101 ( -2.470 -2.822 0.824) 3.840 3.182 ( -2.845 -0.963 -2.416) 3.855 3.245 ( -1.193 -1.379 -0.846) 2.010 3.295 ( 3.666 -1.514 0.890) 4.065 3.398 ( 4.413 -3.768 0.550) 5.829 3.444 ( 3.796 -2.283 -5.392) 6.979 3.481 ( -1.224 -2.249 2.956) 3.911 3.498 ( -0.934 -2.531 -4.817) 5.521 3.634 ( 2.938 -0.818 3.712) 4.804 3.673 ( 1.239 -0.923 -0.695) 1.694 3.687 ( 4.320 2.593 -0.206) 5.042 3.826 ( -1.480 -2.324 2.149) 3.494 3.867 ( -1.367 -2.550 -2.169) 3.616 3.941 ( 0.541 -4.806 -6.652) 8.224 3.994 ( 2.004 -1.491 -0.200) 2.505 4.053 ( 1.472 -2.480 1.153) 3.106 4.205 ( -1.825 0.559 -1.589) 2.484 4.361 ( -4.700 -2.863 -3.367) 6.451 4.366 ( -1.828 -1.093 -2.414) 3.219 4.426 ( -1.792 -3.179 -1.070) 3.803 4.590 ( -2.055 -0.402 0.309) 2.117 4.725 ( 0.612 -4.384 0.778) 4.494 4.744 ( -0.537 1.633 -2.144) 2.748 4.824 ( -4.521 2.592 -3.583) 6.325 4.831 ( -5.172 1.430 6.607) 8.512 4.892 ( 1.949 -1.359 4.076) 4.718 4.996 ( 2.076 -1.603 -0.015) 2.623 5.021 ( -0.466 -0.817 -2.011) 2.220 5.072 ( -2.229 2.680 2.145) 4.093 5.129 ( 1.169 -3.100 -1.314) 3.564 5.187 ( -0.494 -2.609 1.625) 3.113 5.212 ( -0.373 -1.693 -7.376) 7.577 5.327 ( 0.960 9.700 -2.026) 9.956 5.458 ( -2.071 2.322 -0.122) 3.114 5.517 ( -0.582 2.282 -2.971) 3.791 5.595 ( 2.721 0.277 1.347) 3.049 5.635 ( -0.688 2.524 0.142) 2.620 5.760 ( -5.557 1.731 -0.302) 5.828 5.835 ( 0.944 3.970 -5.012) 6.463 5.900 ( 1.817 8.705 4.485) 9.959 6.029 ( 0.300 -0.890 -2.194) 2.386 6.132 ( -1.347 -0.066 -3.162) 3.438 6.162 ( 2.310 1.953 7.019) 7.644 6.191 ( -1.468 -0.607 -0.268) 1.611 6.274 ( 1.769 4.085 0.124) 4.453 6.522 ( 0.358 -4.700 -1.305) 4.891 6.745 ( 4.130 -0.628 2.264) 4.751 6.805 ( 0.455 4.778 -0.160) 4.802 6.878 ( 4.392 -1.133 3.920) 5.995 7.076 ( 0.507 -1.668 0.233) 1.759 7.368 ( -0.467 3.590 2.394) 4.341 7.421 ( 0.112 -1.485 0.339) 1.528 7.777 ( -1.129 -1.236 4.347) 4.658 7.788 ( -0.487 0.657 -3.458) 3.554 7.952 ( -1.178 0.509 -1.676) 2.110 7.996 ( -2.220 -3.024 1.026) 3.889 11.962 ( -3.343 2.723 0.120) 4.314 12.017 ( -3.027 2.378 -0.319) 3.863 12.218 ( -0.809 -3.564 0.227) 3.661 12.263 ( 0.021 -2.595 -0.119) 2.597 12.401 ( 1.118 -1.117 0.444) 1.642 12.403 ( -2.025 -1.074 -0.557) 2.359 12.708 ( 1.921 1.510 0.139) 2.448 12.756 ( 3.310 0.704 -0.066) 3.385 13.825 ( 0.069 0.921 0.575) 1.088 13.899 ( 0.036 -1.049 0.151) 1.061 14.039 ( -0.134 3.552 -0.917) 3.671 14.100 ( -0.583 0.825 0.306) 1.055 14.207 ( 0.460 -2.098 0.665) 2.248 14.314 ( 0.106 -4.535 -0.591) 4.574 14.360 ( -0.501 1.722 -0.645) 1.906 14.465 ( -0.155 -0.992 -0.640) 1.191 16.617 ( -1.746 0.100 -0.456) 1.807 16.669 ( -2.567 -0.703 -0.144) 2.665 16.686 ( -4.611 1.900 0.840) 5.057 16.765 ( -4.221 -0.802 0.025) 4.297 17.003 ( -0.503 2.510 0.169) 2.566 17.074 ( 1.234 0.793 -0.830) 1.685 17.204 ( 4.031 0.064 -0.270) 4.041 17.247 ( 4.580 -0.113 0.349) 4.595 17.413 ( -2.021 2.120 0.399) 2.956 17.491 ( 0.338 0.545 -1.016) 1.202 17.559 ( 0.314 -0.369 -0.526) 0.716 17.602 ( -0.339 -1.398 -0.486) 1.519 17.663 ( -0.556 -1.272 -0.304) 1.421 17.694 ( -0.356 -2.317 0.253) 2.358 17.793 ( 0.684 0.441 1.003) 1.291 17.804 ( 1.711 0.195 0.839) 1.916 18.902 ( 0.683 0.028 1.248) 1.423 19.000 ( -0.834 -1.755 2.674) 3.305 19.072 ( 0.350 -0.066 2.154) 2.183 19.098 ( 1.653 -0.956 1.333) 2.329 19.250 ( -1.370 -0.928 -1.923) 2.537 19.292 ( -1.975 -1.777 -2.408) 3.586 19.423 ( 3.842 1.342 0.422) 4.092 19.493 ( 4.575 -0.691 0.900) 4.714 27.764 ( -0.328 0.769 -0.088) 0.841 27.810 ( -0.013 -1.326 -0.109) 1.330 27.907 ( 0.548 -0.968 0.026) 1.112 27.947 ( 0.943 -3.159 0.119) 3.298 28.151 ( -2.394 1.492 0.282) 2.835 28.256 ( -0.705 -1.952 -0.518) 2.139 28.466 ( 0.331 0.908 0.073) 0.969 28.528 ( -1.414 -0.405 -0.139) 1.477 28.562 ( -0.901 4.857 0.231) 4.945 28.813 ( 1.855 4.725 -0.829) 5.143 28.876 ( -1.089 -3.769 0.090) 3.925 28.986 ( 1.865 0.963 0.605) 2.185 29.625 ( -5.049 7.336 -1.777) 9.081 29.882 ( -0.239 -2.597 -3.352) 4.247 30.354 ( -2.972 2.883 0.320) 4.153 30.379 ( -12.295 7.265 14.057) 20.038 31.142 ( 0.081 0.557 0.228) 0.607 31.171 ( 1.076 0.098 -10.199) 10.256 31.787 ( 1.077 1.499 -0.539) 1.923 31.953 ( -1.634 2.440 -0.541) 2.985 31.988 ( 1.449 -4.725 -2.340) 5.468 32.155 ( 1.402 -2.441 -0.585) 2.875 33.157 ( -3.433 16.897 2.101) 17.370 34.167 ( -7.315 -12.627 1.218) 14.643 35.491 ( 0.552 1.563 0.308) 1.686 35.692 ( 3.300 -3.157 -4.609) 6.488 35.787 ( 1.635 1.375 -0.371) 2.168 35.966 ( -1.928 -2.421 1.116) 3.290 36.219 ( 5.393 1.710 5.723) 8.047 36.391 ( -0.152 5.249 -0.804) 5.312 36.657 ( 9.616 -8.171 -0.481) 12.628 37.058 ( -0.288 -9.533 -0.156) 9.539 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 3.339 13.989 -0.742) 14.401 1.511 ( 13.015 18.979 11.243) 25.612 1.920 ( -1.283 28.481 0.564) 28.516 2.051 ( 8.498 -0.263 3.147) 9.066 2.232 ( 0.090 -1.597 -1.619) 2.276 2.272 ( -1.983 8.136 3.758) 9.179 2.333 ( 2.153 -1.509 6.618) 7.121 2.454 ( -0.556 2.522 3.448) 4.308 2.492 ( -5.629 4.238 0.357) 7.055 2.552 ( -4.122 1.999 -4.613) 6.502 2.660 ( -0.494 -3.007 -3.688) 4.784 2.698 ( 3.372 5.156 0.937) 6.232 2.818 ( -3.905 1.905 0.600) 4.387 2.861 ( -0.543 7.204 3.592) 8.068 2.949 ( -5.923 -2.027 2.078) 6.596 3.030 ( -4.871 3.827 -5.315) 8.162 3.086 ( 0.726 5.972 3.387) 6.904 3.144 ( -2.348 -3.758 2.112) 4.909 3.220 ( 2.237 -0.992 -0.073) 2.449 3.384 ( 2.683 -0.629 -3.299) 4.299 3.402 ( -0.822 -2.150 -3.225) 3.962 3.465 ( -0.481 -6.954 1.842) 7.209 3.525 ( 7.172 -3.462 -0.838) 8.007 3.579 ( 4.063 -3.349 0.761) 5.320 3.649 ( 0.742 4.396 1.055) 4.581 3.753 ( 3.996 -0.116 0.842) 4.085 3.773 ( 3.554 2.024 3.049) 5.101 3.810 ( 0.453 -4.402 0.004) 4.425 3.882 ( -0.434 0.667 -3.773) 3.856 3.910 ( 0.979 -1.721 0.242) 1.995 4.011 ( -0.625 -4.092 -2.593) 4.885 4.069 ( -1.125 -0.026 -4.528) 4.666 4.164 ( -1.365 1.111 2.930) 3.418 4.234 ( -5.663 1.274 -7.002) 9.095 4.332 ( -3.618 -5.778 -1.876) 7.071 4.409 ( 0.441 -4.239 -1.118) 4.406 4.527 ( -3.148 -1.631 -0.456) 3.574 4.684 ( -4.806 0.708 -0.275) 4.866 4.722 ( -4.704 0.472 4.312) 6.398 4.736 ( -0.410 -1.699 -1.400) 2.239 4.808 ( 2.649 0.097 -0.513) 2.700 4.920 ( 0.343 0.435 5.868) 5.894 5.009 ( -1.488 2.000 -1.567) 2.944 5.021 ( -1.614 3.492 -0.984) 3.970 5.029 ( 1.019 -0.775 -1.839) 2.241 5.136 ( -0.528 -1.947 -3.115) 3.711 5.173 ( -0.962 -3.914 -2.679) 4.840 5.186 ( -1.030 -2.111 -0.851) 2.499 5.333 ( 0.169 6.939 -0.386) 6.952 5.429 ( -0.507 2.339 -3.426) 4.179 5.496 ( -1.786 0.708 0.093) 1.923 5.608 ( 0.753 2.370 1.273) 2.793 5.664 ( 2.447 1.344 1.170) 3.027 5.716 ( -0.217 2.233 0.384) 2.276 5.854 ( 1.474 4.866 -3.705) 6.291 5.922 ( -0.309 6.522 4.598) 7.986 6.038 ( 0.814 1.733 -1.035) 2.176 6.121 ( 0.832 -0.891 -0.101) 1.224 6.175 ( -0.650 -1.790 1.081) 2.190 6.242 ( 3.735 0.689 4.584) 5.952 6.315 ( 1.603 4.463 -3.537) 5.916 6.504 ( -1.136 -1.899 -0.425) 2.253 6.786 ( 1.091 2.989 -0.118) 3.184 6.817 ( 0.504 3.156 0.273) 3.208 6.968 ( 3.267 -6.729 3.607) 8.304 7.087 ( 0.446 -2.083 0.133) 2.135 7.366 ( -0.004 2.623 2.799) 3.835 7.413 ( -0.820 2.335 -0.503) 2.526 7.757 ( -0.797 0.764 3.351) 3.529 7.775 ( -0.723 -0.908 -2.220) 2.505 7.922 ( -1.460 0.717 -2.340) 2.850 7.959 ( -1.373 -3.299 1.293) 3.800 11.907 ( -1.957 2.703 0.205) 3.343 11.946 ( -3.538 2.306 -0.374) 4.240 12.197 ( -1.246 -2.891 0.312) 3.164 12.259 ( -0.444 -3.603 -0.236) 3.638 12.370 ( -0.736 -0.291 -0.198) 0.816 12.432 ( 1.368 -2.116 0.109) 2.522 12.747 ( 1.657 2.002 0.154) 2.603 12.812 ( 2.209 0.702 -0.078) 2.319 13.828 ( 0.142 0.939 0.596) 1.121 13.900 ( 0.060 -0.852 0.188) 0.875 14.035 ( -0.113 3.519 -0.882) 3.629 14.087 ( -0.671 1.544 0.272) 1.705 14.217 ( 0.433 -2.156 0.752) 2.324 14.315 ( 0.054 -4.683 -0.725) 4.739 14.349 ( -0.434 1.620 -0.575) 1.773 14.461 ( -0.205 -1.231 -0.654) 1.409 16.562 ( -3.227 0.571 0.244) 3.286 16.608 ( -1.911 -1.246 -0.334) 2.305 16.640 ( -1.533 0.791 -0.304) 1.752 16.687 ( -3.135 0.032 0.605) 3.193 16.998 ( 0.001 2.030 0.038) 2.030 17.091 ( 0.534 0.097 -0.404) 0.676 17.279 ( 3.135 0.622 -0.229) 3.205 17.315 ( 1.786 1.354 0.467) 2.289 17.399 ( 0.762 0.887 -0.158) 1.180 17.485 ( -0.580 0.239 -0.017) 0.628 17.570 ( 0.626 -0.444 -0.469) 0.900 17.593 ( -0.411 -0.823 -0.188) 0.939 17.645 ( -0.942 -1.414 -1.098) 2.023 17.695 ( 0.090 -3.247 0.573) 3.299 17.808 ( 0.697 1.674 0.839) 1.998 17.833 ( 1.032 0.490 0.602) 1.291 18.913 ( 0.493 -0.867 0.345) 1.055 18.977 ( -1.496 -1.635 2.198) 3.121 19.087 ( 0.905 -0.403 2.807) 2.977 19.130 ( 1.307 -1.937 1.310) 2.679 19.233 ( -0.461 -1.289 -2.235) 2.620 19.249 ( -1.881 -1.450 -2.065) 3.147 19.499 ( 3.288 2.443 0.559) 4.135 19.571 ( 2.978 -0.234 0.585) 3.044 27.756 ( -0.391 0.669 -0.112) 0.783 27.817 ( 0.802 -1.771 0.037) 1.944 27.921 ( 0.784 -0.545 0.083) 0.958 27.953 ( -0.507 -1.896 -0.001) 1.963 28.123 ( -0.115 0.421 0.011) 0.437 28.218 ( -2.902 -2.937 -0.306) 4.140 28.473 ( 0.337 1.339 -0.011) 1.381 28.479 ( -2.448 1.265 -0.309) 2.773 28.568 ( 0.721 5.328 0.450) 5.395 28.838 ( -0.421 2.556 -1.220) 2.863 28.866 ( 1.151 -0.831 0.613) 1.546 29.010 ( 0.229 5.048 0.471) 5.075 29.539 ( -2.483 9.662 -0.884) 10.015 29.873 ( -0.416 -1.574 -3.315) 3.693 30.208 ( -5.153 7.154 8.900) 12.528 30.305 ( -2.580 2.489 0.576) 3.631 31.147 ( 0.296 0.303 0.613) 0.745 31.176 ( 0.261 0.049 -6.721) 6.726 31.824 ( 2.163 1.606 0.034) 2.694 31.935 ( -0.206 2.283 -0.207) 2.301 32.011 ( 0.847 -4.606 -1.432) 4.897 32.192 ( 2.147 -3.328 -1.017) 4.089 33.065 ( -5.085 18.105 1.116) 18.838 34.039 ( -5.340 -11.492 2.030) 12.834 35.560 ( 5.576 0.292 0.184) 5.586 35.723 ( 0.089 -2.770 -3.495) 4.460 35.812 ( 1.069 2.159 -0.122) 2.412 35.909 ( -3.461 -1.521 0.730) 3.851 36.284 ( 1.825 2.452 2.795) 4.142 36.366 ( -2.005 2.146 -0.487) 2.976 36.856 ( 8.634 -12.908 0.497) 15.537 37.046 ( -1.030 -9.742 -0.267) 9.800 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 9.693 -0.000) 9.693 1.666 ( 0.000 17.190 0.000) 17.190 1.902 ( 0.000 27.635 -0.000) 27.635 2.204 ( 0.000 5.249 -0.000) 5.249 2.207 ( -0.000 -5.621 0.000) 5.621 2.257 ( 0.000 7.487 -0.000) 7.487 2.383 ( 0.000 3.711 0.000) 3.711 2.393 ( 0.000 4.020 -0.000) 4.020 2.406 ( -0.000 5.360 0.000) 5.360 2.492 ( 0.000 -6.255 0.000) 6.255 2.663 ( 0.000 -5.557 -0.000) 5.557 2.740 ( 0.000 10.124 0.000) 10.124 2.773 ( 0.000 2.242 -0.000) 2.242 2.877 ( -0.000 -0.449 0.000) 0.449 2.908 ( -0.000 7.859 -0.000) 7.859 2.929 ( 0.000 -0.327 0.000) 0.327 3.086 ( 0.000 1.004 -0.000) 1.004 3.135 ( 0.000 3.651 0.000) 3.651 3.251 ( 0.000 -4.365 -0.000) 4.365 3.394 ( -0.000 0.222 0.000) 0.222 3.403 ( 0.000 -1.299 -0.000) 1.299 3.470 ( 0.000 -6.950 -0.000) 6.950 3.601 ( -0.000 -4.372 0.000) 4.372 3.651 ( 0.000 -0.341 -0.000) 0.341 3.668 ( 0.000 1.954 0.000) 1.954 3.774 ( 0.000 3.107 0.000) 3.107 3.789 ( 0.000 -5.046 0.000) 5.046 3.807 ( 0.000 -4.245 -0.000) 4.245 3.906 ( 0.000 0.648 -0.000) 0.648 3.956 ( -0.000 -6.467 -0.000) 6.467 3.976 ( 0.000 6.824 0.000) 6.824 4.030 ( -0.000 5.187 -0.000) 5.187 4.140 ( 0.000 -1.604 0.000) 1.604 4.199 ( 0.000 -1.429 -0.000) 1.429 4.266 ( 0.000 -3.283 0.000) 3.283 4.416 ( 0.000 -5.299 -0.000) 5.299 4.495 ( 0.000 -3.158 -0.000) 3.158 4.635 ( 0.000 -1.494 0.000) 1.494 4.660 ( 0.000 2.532 -0.000) 2.532 4.740 ( 0.000 -2.823 0.000) 2.823 4.848 ( 0.000 -0.493 -0.000) 0.493 4.922 ( -0.000 5.825 -0.000) 5.825 4.974 ( 0.000 5.024 0.000) 5.024 5.016 ( 0.000 0.609 0.000) 0.609 5.037 ( 0.000 -1.467 0.000) 1.467 5.119 ( 0.000 -1.342 -0.000) 1.342 5.171 ( 0.000 -3.007 -0.000) 3.007 5.172 ( -0.000 -5.006 0.000) 5.006 5.337 ( 0.000 4.992 0.000) 4.992 5.421 ( 0.000 4.581 0.000) 4.581 5.480 ( 0.000 -3.082 -0.000) 3.082 5.625 ( 0.000 2.778 -0.000) 2.778 5.687 ( 0.000 2.717 -0.000) 2.717 5.716 ( 0.000 1.765 -0.000) 1.765 5.877 ( 0.000 4.127 0.000) 4.127 5.910 ( 0.000 6.006 -0.000) 6.006 6.048 ( 0.000 3.029 -0.000) 3.029 6.139 ( 0.000 -1.911 0.000) 1.911 6.164 ( 0.000 -2.514 0.000) 2.514 6.288 ( 0.000 0.885 0.000) 0.885 6.322 ( 0.000 4.216 -0.000) 4.216 6.493 ( 0.000 -0.519 -0.000) 0.519 6.799 ( 0.000 4.247 -0.000) 4.247 6.821 ( 0.000 2.228 -0.000) 2.228 7.000 ( 0.000 -8.026 0.000) 8.026 7.091 ( 0.000 -2.354 -0.000) 2.354 7.368 ( 0.000 2.038 0.000) 2.038 7.401 ( 0.000 4.522 0.000) 4.522 7.756 ( -0.000 3.029 -0.000) 3.029 7.761 ( 0.000 -2.593 0.000) 2.593 7.905 ( 0.000 0.707 0.000) 0.707 7.946 ( 0.000 -3.742 -0.000) 3.742 11.894 ( 0.000 3.136 0.000) 3.136 11.902 ( -0.000 1.817 -0.000) 1.817 12.183 ( 0.000 -2.640 0.000) 2.640 12.252 ( 0.000 -4.071 -0.000) 4.071 12.366 ( 0.000 0.082 -0.000) 0.082 12.446 ( 0.000 -2.466 -0.000) 2.466 12.764 ( 0.000 2.126 -0.000) 2.126 12.834 ( 0.000 0.707 -0.000) 0.707 13.830 ( 0.000 0.957 0.000) 0.957 13.901 ( 0.000 -0.815 0.000) 0.815 14.034 ( 0.000 3.497 0.000) 3.497 14.079 ( 0.000 1.976 0.000) 1.976 14.222 ( 0.000 -2.188 -0.000) 2.188 14.315 ( 0.000 -4.742 -0.000) 4.742 14.344 ( 0.000 1.577 0.000) 1.577 14.458 ( 0.000 -1.356 0.000) 1.356 16.529 ( 0.000 0.422 0.000) 0.422 16.585 ( 0.000 -2.713 -0.000) 2.713 16.632 ( 0.000 1.451 0.000) 1.451 16.653 ( 0.000 0.813 -0.000) 0.813 16.999 ( 0.000 1.752 -0.000) 1.752 17.096 ( 0.000 -0.110 -0.000) 0.110 17.315 ( 0.000 0.763 -0.000) 0.763 17.322 ( 0.000 2.275 0.000) 2.275 17.416 ( 0.000 0.128 -0.000) 0.128 17.477 ( 0.000 -0.016 0.000) 0.016 17.576 ( 0.000 -0.525 0.000) 0.525 17.589 ( 0.000 -0.639 -0.000) 0.639 17.634 ( 0.000 -1.626 -0.000) 1.626 17.696 ( 0.000 -3.486 0.000) 3.486 17.816 ( 0.000 2.260 -0.000) 2.260 17.843 ( 0.000 0.598 -0.000) 0.598 18.920 ( 0.000 -0.843 0.000) 0.843 18.960 ( 0.000 -1.614 -0.000) 1.614 19.100 ( 0.000 -0.681 0.000) 0.681 19.143 ( 0.000 -2.555 -0.000) 2.555 19.225 ( 0.000 -0.836 -0.000) 0.836 19.230 ( 0.000 -1.331 0.000) 1.331 19.533 ( 0.000 2.949 0.000) 2.949 19.601 ( 0.000 -0.098 0.000) 0.098 27.752 ( 0.000 0.636 0.000) 0.636 27.829 ( 0.000 -2.389 -0.000) 2.389 27.932 ( 0.000 -0.280 -0.000) 0.280 27.939 ( 0.000 -0.459 -0.000) 0.459 28.137 ( 0.000 -0.232 -0.000) 0.232 28.173 ( 0.000 -3.484 -0.000) 3.484 28.454 ( 0.000 2.091 0.000) 2.091 28.477 ( 0.000 1.516 0.000) 1.516 28.577 ( 0.000 5.192 -0.000) 5.192 28.827 ( 0.000 -0.118 0.000) 0.118 28.885 ( 0.000 2.120 -0.000) 2.120 29.008 ( 0.000 7.943 -0.000) 7.943 29.522 ( 0.000 7.761 -0.000) 7.761 29.866 ( 0.000 -1.040 -0.000) 1.040 30.167 ( 0.000 5.532 0.000) 5.532 30.277 ( 0.000 2.360 0.000) 2.360 31.150 ( 0.000 0.158 -0.000) 0.158 31.175 ( 0.000 0.191 0.000) 0.191 31.847 ( 0.000 1.001 -0.000) 1.001 31.936 ( 0.000 2.538 0.000) 2.538 32.018 ( 0.000 -4.441 0.000) 4.441 32.216 ( 0.000 -3.774 -0.000) 3.774 33.008 ( 0.000 18.615 0.000) 18.615 33.985 ( 0.000 -11.285 0.000) 11.285 35.671 ( -0.000 -1.931 -0.000) 1.931 35.672 ( 0.000 -0.776 0.000) 0.776 35.832 ( 0.000 0.370 -0.000) 0.370 35.863 ( 0.000 0.681 -0.000) 0.681 36.312 ( 0.000 -0.615 0.000) 0.615 36.333 ( -0.000 5.399 -0.000) 5.399 36.951 ( 0.000 -13.930 0.000) 13.930 37.025 ( -0.000 -9.527 -0.000) 9.527 ======================= Grid point 21 (13/64) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.000 21.574 0.000) 21.574 1.617 ( 0.000 22.590 0.000) 22.590 1.766 ( 0.000 -12.923 0.000) 12.923 1.982 ( 0.000 -13.047 0.000) 13.047 2.123 ( 0.000 -1.257 0.000) 1.257 2.169 ( 0.000 -7.138 0.000) 7.138 2.556 ( 0.000 10.376 0.000) 10.376 2.584 ( 0.000 4.409 0.000) 4.409 2.587 ( 0.000 7.045 0.000) 7.045 2.665 ( 0.000 -2.255 0.000) 2.255 2.818 ( 0.000 14.621 0.000) 14.621 2.867 ( 0.000 9.698 0.000) 9.698 2.994 ( 0.000 4.231 0.000) 4.231 3.035 ( 0.000 -4.269 0.000) 4.269 3.041 ( 0.000 -1.798 0.000) 1.798 3.086 ( 0.000 0.701 0.000) 0.701 3.095 ( 0.000 -2.670 0.000) 2.670 3.156 ( 0.000 -6.988 0.000) 6.988 3.233 ( 0.000 2.915 0.000) 2.915 3.254 ( 0.000 -1.281 0.000) 1.281 3.321 ( 0.000 1.341 0.000) 1.341 3.402 ( 0.000 -5.962 0.000) 5.962 3.409 ( 0.000 3.042 0.000) 3.042 3.504 ( 0.000 -5.610 0.000) 5.610 3.590 ( 0.000 3.242 0.000) 3.242 3.625 ( 0.000 3.297 0.000) 3.297 3.680 ( 0.000 -1.250 0.000) 1.250 3.728 ( 0.000 -6.808 0.000) 6.808 3.769 ( 0.000 -4.926 0.000) 4.926 3.800 ( 0.000 -4.266 0.000) 4.266 4.038 ( 0.000 1.506 0.000) 1.506 4.071 ( 0.000 2.724 0.000) 2.724 4.163 ( 0.000 2.602 0.000) 2.602 4.331 ( 0.000 -8.836 0.000) 8.836 4.415 ( 0.000 1.558 0.000) 1.558 4.424 ( 0.000 0.454 0.000) 0.454 4.579 ( 0.000 0.095 0.000) 0.095 4.621 ( 0.000 -4.425 0.000) 4.425 4.797 ( 0.000 2.054 0.000) 2.054 4.830 ( 0.000 -1.362 0.000) 1.362 4.929 ( 0.000 2.493 0.000) 2.493 4.962 ( 0.000 0.886 0.000) 0.886 4.979 ( 0.000 2.163 0.000) 2.163 5.029 ( 0.000 0.356 0.000) 0.356 5.036 ( 0.000 -2.487 0.000) 2.487 5.072 ( 0.000 -2.211 0.000) 2.211 5.165 ( 0.000 -0.505 0.000) 0.505 5.173 ( 0.000 -0.525 0.000) 0.525 5.505 ( 0.000 1.217 0.000) 1.217 5.529 ( 0.000 -0.978 0.000) 0.978 5.534 ( 0.000 7.791 0.000) 7.791 5.599 ( 0.000 0.568 0.000) 0.568 5.737 ( 0.000 5.510 0.000) 5.510 5.809 ( 0.000 -2.103 0.000) 2.103 5.873 ( 0.000 2.707 0.000) 2.707 5.950 ( 0.000 -4.269 0.000) 4.269 6.085 ( 0.000 7.639 0.000) 7.639 6.112 ( 0.000 -0.346 0.000) 0.346 6.161 ( 0.000 1.718 0.000) 1.718 6.287 ( 0.000 -0.741 0.000) 0.741 6.292 ( 0.000 -0.287 0.000) 0.287 6.312 ( 0.000 -6.841 0.000) 6.841 6.726 ( 0.000 4.396 0.000) 4.396 6.825 ( 0.000 -4.079 0.000) 4.079 6.915 ( 0.000 5.978 0.000) 5.978 7.019 ( 0.000 -3.983 0.000) 3.983 7.385 ( 0.000 1.349 0.000) 1.349 7.422 ( 0.000 -0.654 0.000) 0.654 7.763 ( 0.000 1.170 0.000) 1.170 7.806 ( 0.000 -1.761 0.000) 1.761 7.970 ( 0.000 0.062 0.000) 0.062 7.974 ( 0.000 -0.836 0.000) 0.836 12.074 ( 0.000 3.305 0.000) 3.305 12.085 ( 0.000 2.266 0.000) 2.266 12.173 ( 0.000 -3.183 0.000) 3.183 12.175 ( 0.000 -3.319 0.000) 3.319 12.396 ( 0.000 0.511 0.000) 0.511 12.409 ( 0.000 -0.818 0.000) 0.818 12.710 ( 0.000 0.816 0.000) 0.816 12.719 ( 0.000 -0.038 0.000) 0.038 13.846 ( 0.000 1.240 0.000) 1.240 13.873 ( 0.000 -1.365 0.000) 1.365 14.123 ( 0.000 4.579 0.000) 4.579 14.125 ( 0.000 1.400 0.000) 1.400 14.160 ( 0.000 -2.018 0.000) 2.018 14.219 ( 0.000 -4.894 0.000) 4.894 14.403 ( 0.000 1.966 0.000) 1.966 14.441 ( 0.000 -1.678 0.000) 1.678 16.647 ( 0.000 0.801 0.000) 0.801 16.665 ( 0.000 -0.901 0.000) 0.901 16.797 ( 0.000 0.195 0.000) 0.195 16.797 ( 0.000 0.195 0.000) 0.195 17.064 ( 0.000 2.372 0.000) 2.372 17.081 ( 0.000 0.787 0.000) 0.787 17.156 ( 0.000 -0.683 0.000) 0.683 17.160 ( 0.000 -1.081 0.000) 1.081 17.497 ( 0.000 2.293 0.000) 2.293 17.498 ( 0.000 1.776 0.000) 1.776 17.542 ( 0.000 -1.337 0.000) 1.337 17.556 ( 0.000 -2.524 0.000) 2.524 17.654 ( 0.000 0.260 0.000) 0.260 17.673 ( 0.000 -1.435 0.000) 1.435 17.781 ( 0.000 -0.006 0.000) 0.006 17.782 ( 0.000 -0.118 0.000) 0.118 18.927 ( 0.000 2.031 0.000) 2.031 18.969 ( 0.000 -2.060 0.000) 2.060 19.069 ( 0.000 0.032 0.000) 0.032 19.071 ( 0.000 -0.209 0.000) 0.209 19.278 ( 0.000 0.119 0.000) 0.119 19.286 ( 0.000 -0.728 0.000) 0.728 19.392 ( 0.000 0.477 0.000) 0.477 19.407 ( 0.000 -1.018 0.000) 1.018 27.784 ( 0.000 0.696 0.000) 0.696 27.794 ( 0.000 -0.503 0.000) 0.503 27.881 ( 0.000 -0.630 0.000) 0.630 27.887 ( 0.000 -1.400 0.000) 1.400 28.211 ( 0.000 1.179 0.000) 1.179 28.234 ( 0.000 -1.094 0.000) 1.094 28.479 ( 0.000 1.190 0.000) 1.190 28.509 ( 0.000 -1.787 0.000) 1.787 28.678 ( 0.000 5.534 0.000) 5.534 28.784 ( 0.000 -4.788 0.000) 4.788 28.888 ( 0.000 3.309 0.000) 3.309 28.944 ( 0.000 -1.959 0.000) 1.959 29.757 ( 0.000 3.701 0.000) 3.701 29.824 ( 0.000 -3.147 0.000) 3.147 30.450 ( 0.000 3.945 0.000) 3.945 30.521 ( 0.000 -2.782 0.000) 2.782 31.158 ( 0.000 0.690 0.000) 0.690 31.167 ( 0.000 -0.000 0.000) 0.000 31.809 ( 0.000 2.607 0.000) 2.607 31.881 ( 0.000 -4.299 0.000) 4.299 32.031 ( 0.000 2.847 0.000) 2.847 32.090 ( 0.000 -2.963 0.000) 2.963 33.545 ( 0.000 18.921 0.000) 18.921 33.919 ( 0.000 -18.273 0.000) 18.273 35.542 ( 0.000 -0.030 0.000) 0.030 35.554 ( 0.000 -1.331 0.000) 1.331 35.841 ( 0.000 3.794 0.000) 3.794 35.914 ( 0.000 -3.449 0.000) 3.449 36.264 ( 0.000 7.454 0.000) 7.454 36.419 ( 0.000 -7.887 0.000) 7.887 36.614 ( 0.000 11.867 0.000) 11.867 36.849 ( 0.000 -11.457 0.000) 11.457 ======================= Grid point 22 (14/64) ======================= q-point: ( 0.17 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -0.827 22.088 1.165) 22.134 1.693 ( 7.242 20.032 6.850) 22.375 1.793 ( 2.421 -14.534 0.493) 14.742 2.024 ( 3.923 -9.129 1.076) 9.995 2.160 ( 3.488 -2.140 1.555) 4.378 2.182 ( 1.612 -7.309 6.432) 9.869 2.532 ( -1.196 13.193 -0.707) 13.266 2.575 ( -1.932 3.935 2.160) 4.887 2.627 ( 1.055 3.134 -2.202) 3.973 2.648 ( -2.857 -0.948 0.830) 3.122 2.759 ( -2.440 9.012 3.915) 10.124 2.848 ( -2.236 12.202 -2.583) 12.671 2.927 ( -4.546 -2.216 2.703) 5.734 2.997 ( -4.717 -2.638 -2.355) 5.895 3.010 ( -2.142 3.266 8.066) 8.961 3.105 ( 1.180 -0.443 1.746) 2.153 3.154 ( 2.150 -0.852 -0.040) 2.313 3.177 ( 3.318 -2.295 -3.147) 5.117 3.217 ( -3.203 1.582 1.516) 3.881 3.250 ( 2.020 0.398 -1.395) 2.486 3.329 ( 0.827 -0.778 -0.784) 1.380 3.391 ( -1.421 -5.165 -0.658) 5.397 3.421 ( 0.463 -0.782 -3.214) 3.340 3.455 ( -0.633 -2.055 -2.218) 3.089 3.621 ( 2.646 0.629 3.276) 4.258 3.683 ( 3.797 0.983 -1.464) 4.187 3.720 ( 1.791 -5.574 -2.550) 6.386 3.748 ( 1.391 -4.139 2.599) 5.082 3.779 ( 4.840 2.341 -0.857) 5.445 3.853 ( 2.576 -3.836 -4.487) 6.440 4.022 ( -0.873 1.911 0.216) 2.112 4.068 ( -0.734 1.151 2.821) 3.134 4.156 ( 0.014 0.886 -3.885) 3.985 4.287 ( -2.986 -6.380 -3.279) 7.770 4.383 ( -2.650 1.950 -2.455) 4.105 4.415 ( -2.035 1.239 -3.934) 4.599 4.571 ( -2.454 -1.081 1.084) 2.892 4.598 ( -1.018 -5.251 1.938) 5.689 4.791 ( 0.054 2.082 -1.635) 2.648 4.828 ( -2.175 -1.558 -0.263) 2.688 4.859 ( -6.718 1.279 4.541) 8.209 4.875 ( -2.697 -0.548 -0.405) 2.782 5.016 ( 1.350 2.182 1.485) 2.964 5.033 ( 0.169 1.933 -0.519) 2.009 5.065 ( 1.510 -2.722 0.732) 3.198 5.076 ( 0.467 -1.610 -1.120) 2.016 5.158 ( -0.650 0.076 0.410) 0.772 5.178 ( 0.226 -1.544 -5.493) 5.711 5.515 ( -1.403 5.918 1.706) 6.317 5.522 ( -0.447 3.088 2.712) 4.134 5.562 ( -0.311 1.775 -1.249) 2.192 5.580 ( 2.258 -1.084 0.764) 2.618 5.700 ( -2.811 3.407 -3.744) 5.790 5.757 ( -3.116 -1.806 -3.359) 4.925 5.892 ( 1.677 2.827 -1.402) 3.573 5.967 ( 1.424 -4.325 -2.079) 5.005 6.083 ( -0.513 6.781 -0.236) 6.804 6.141 ( 2.044 2.446 -0.326) 3.204 6.156 ( -1.399 -1.112 -0.946) 2.022 6.228 ( 0.313 0.798 5.881) 5.943 6.323 ( 2.853 1.462 -1.127) 3.398 6.408 ( 4.097 -6.029 4.231) 8.428 6.747 ( 1.846 2.584 0.794) 3.273 6.830 ( 0.420 -4.048 0.775) 4.142 6.921 ( 0.626 5.782 0.249) 5.821 7.023 ( 0.326 -3.968 -0.008) 3.981 7.386 ( 0.130 1.605 1.375) 2.118 7.428 ( 0.414 -1.006 0.098) 1.092 7.757 ( -0.479 1.143 0.122) 1.246 7.796 ( -0.817 -1.501 -0.113) 1.713 7.957 ( -1.287 0.053 0.339) 1.332 7.960 ( -1.321 -0.521 -0.401) 1.476 12.019 ( -3.598 2.883 0.112) 4.612 12.055 ( -3.718 0.355 -0.074) 3.735 12.164 ( 0.221 -0.721 0.143) 0.767 12.201 ( 0.196 -3.281 -0.031) 3.287 12.385 ( -0.947 -0.193 0.287) 1.008 12.389 ( -0.836 -0.515 -0.200) 1.002 12.739 ( 2.636 1.425 -0.064) 2.997 12.759 ( 3.132 -0.439 -0.172) 3.168 13.848 ( 0.119 1.287 0.591) 1.421 13.874 ( 0.162 -1.356 0.508) 1.457 14.121 ( -0.127 4.603 -0.699) 4.658 14.125 ( -0.037 1.670 0.194) 1.681 14.164 ( 0.310 -2.169 0.587) 2.268 14.218 ( -0.035 -4.969 -0.811) 5.035 14.398 ( -0.517 2.012 -0.601) 2.162 14.436 ( -0.378 -1.788 -0.619) 1.930 16.629 ( -1.859 0.941 -0.391) 2.120 16.650 ( -1.968 -1.066 -0.296) 2.258 16.722 ( -4.854 1.530 0.667) 5.133 16.747 ( -4.453 -1.035 0.380) 4.588 17.051 ( -0.792 2.113 0.223) 2.268 17.079 ( -0.129 -0.496 -0.324) 0.606 17.211 ( 4.905 0.737 -0.256) 4.966 17.232 ( 5.081 -1.149 -0.004) 5.209 17.466 ( -1.607 2.897 0.851) 3.421 17.504 ( -0.802 -0.070 0.128) 0.816 17.547 ( 0.910 -0.285 -0.957) 1.351 17.569 ( 0.707 -1.825 -0.488) 2.017 17.644 ( -0.858 -0.321 -0.318) 0.969 17.655 ( -1.348 -1.367 -0.749) 2.060 17.800 ( 1.529 0.268 1.029) 1.863 17.804 ( 1.835 -0.139 0.978) 2.084 18.921 ( -0.482 1.659 0.253) 1.746 18.960 ( -0.839 -2.128 1.007) 2.499 19.073 ( 0.407 0.238 1.975) 2.030 19.082 ( 0.827 -0.613 1.771) 2.048 19.243 ( -1.859 0.254 -2.016) 2.754 19.259 ( -2.011 -1.333 -2.318) 3.346 19.449 ( 4.774 1.309 0.585) 4.985 19.474 ( 4.954 -1.143 0.714) 5.135 27.780 ( -0.392 0.664 -0.056) 0.773 27.791 ( -0.244 -0.585 -0.014) 0.634 27.891 ( 0.867 -0.483 0.244) 1.022 27.898 ( 1.027 -1.451 -0.026) 1.778 28.181 ( -2.454 1.596 0.118) 2.930 28.217 ( -1.890 -1.959 -0.182) 2.728 28.486 ( 0.581 1.122 -0.096) 1.267 28.508 ( -0.229 -1.079 -0.162) 1.115 28.672 ( -0.424 5.550 0.281) 5.573 28.779 ( -0.536 -5.080 0.338) 5.119 28.908 ( 2.002 3.961 -0.453) 4.461 28.971 ( 2.573 -2.173 0.175) 3.373 29.744 ( -1.194 4.856 -1.317) 5.171 29.824 ( 0.039 -3.331 -2.206) 3.995 30.414 ( -3.526 2.908 1.608) 4.845 30.448 ( -6.700 0.166 5.885) 8.919 31.156 ( -0.020 0.837 -0.692) 1.086 31.170 ( 0.336 -0.369 -3.689) 3.723 31.825 ( 1.575 2.701 -0.305) 3.141 31.896 ( 1.477 -4.269 -0.690) 4.570 32.017 ( -0.903 3.709 -1.212) 4.005 32.092 ( 0.411 -3.643 -0.879) 3.770 33.513 ( -3.389 18.277 1.295) 18.633 33.867 ( -4.807 -16.874 0.902) 17.569 35.534 ( 1.267 2.758 -0.258) 3.046 35.603 ( 3.052 -4.264 -1.969) 5.601 35.847 ( 0.460 3.337 0.560) 3.415 35.911 ( -0.774 -3.037 1.084) 3.316 36.292 ( 2.274 5.370 2.234) 6.245 36.410 ( -0.631 -5.301 0.320) 5.348 36.650 ( 3.442 8.131 -1.169) 8.906 36.852 ( 0.216 -10.807 -0.461) 10.819 ======================= Grid point 23 (15/64) ======================= q-point: ( 0.33 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -0.388 22.193 0.571) 22.204 1.821 ( 2.066 -17.199 4.092) 17.799 1.890 ( 8.899 14.239 4.845) 17.476 2.124 ( 6.367 -1.783 -1.942) 6.891 2.247 ( 4.391 -2.164 3.113) 5.801 2.260 ( 5.914 -6.026 12.775) 15.313 2.472 ( -5.381 7.561 2.387) 9.582 2.511 ( -3.341 7.084 2.093) 8.108 2.551 ( -4.411 0.260 -1.851) 4.791 2.609 ( -3.721 1.375 -9.163) 9.985 2.702 ( -7.007 9.031 0.489) 11.441 2.831 ( 2.280 5.793 -0.017) 6.225 2.851 ( -3.700 -1.517 0.630) 4.048 2.932 ( -0.511 -1.842 1.123) 2.217 2.985 ( -1.512 4.545 4.334) 6.460 3.059 ( -5.151 -2.907 3.683) 6.968 3.119 ( -1.158 4.239 -1.113) 4.533 3.194 ( -1.980 4.618 -1.061) 5.135 3.255 ( 1.962 0.077 -0.750) 2.102 3.290 ( 1.892 -1.963 0.182) 2.733 3.360 ( 2.179 -2.754 -2.123) 4.104 3.396 ( 3.828 -5.917 -2.899) 7.620 3.424 ( 0.970 0.242 -1.447) 1.759 3.508 ( 4.821 -3.283 2.274) 6.260 3.689 ( 3.035 -1.310 4.178) 5.328 3.714 ( -1.306 -4.270 -3.631) 5.755 3.756 ( 2.923 0.433 -3.718) 4.749 3.796 ( 2.542 -1.730 0.071) 3.076 3.854 ( 0.717 0.782 1.589) 1.911 3.872 ( 1.551 0.131 -0.741) 1.724 4.047 ( 1.439 0.159 2.395) 2.799 4.065 ( 2.974 4.135 2.938) 5.880 4.151 ( -0.935 -1.629 -4.824) 5.177 4.241 ( -1.716 -3.878 -4.560) 6.227 4.321 ( -5.796 3.359 -5.365) 8.583 4.333 ( -2.462 0.281 -3.128) 3.991 4.496 ( -4.189 -0.710 -0.270) 4.257 4.577 ( -2.053 -7.969 0.438) 8.241 4.724 ( -4.683 0.806 2.495) 5.367 4.741 ( -4.769 -0.592 3.268) 5.811 4.827 ( 2.510 2.625 -1.873) 4.086 4.888 ( 2.232 -2.959 -0.232) 3.714 5.027 ( -0.002 1.618 -0.086) 1.621 5.043 ( 0.338 2.274 3.987) 4.602 5.072 ( -0.240 -2.155 -0.769) 2.301 5.083 ( -0.236 -1.685 -0.768) 1.867 5.138 ( -1.292 0.742 0.006) 1.489 5.161 ( -1.434 -1.131 -6.224) 6.486 5.454 ( -3.202 3.812 -0.488) 5.002 5.480 ( -2.538 1.259 1.261) 3.101 5.567 ( -0.220 5.211 -2.173) 5.650 5.643 ( 2.727 -1.957 0.096) 3.358 5.673 ( 0.971 3.293 0.912) 3.553 5.732 ( 0.025 -1.077 -0.463) 1.173 5.923 ( 1.445 2.779 -1.667) 3.548 5.990 ( 0.851 -3.251 -2.116) 3.971 6.063 ( -1.116 3.579 0.526) 3.786 6.122 ( -1.435 -2.350 0.755) 2.855 6.174 ( 1.276 5.862 -0.472) 6.017 6.283 ( 2.908 -1.596 2.754) 4.311 6.368 ( 1.569 4.107 -0.729) 4.457 6.472 ( 2.387 -3.128 3.261) 5.111 6.785 ( 1.791 -0.288 0.294) 1.838 6.835 ( -0.210 -3.401 0.931) 3.532 6.936 ( 0.703 4.730 0.363) 4.796 7.029 ( 0.218 -3.865 -0.031) 3.871 7.391 ( 0.198 1.742 1.314) 2.192 7.433 ( 0.105 -1.291 0.228) 1.315 7.750 ( -0.163 1.326 0.227) 1.355 7.784 ( -0.303 -0.963 -0.251) 1.041 7.928 ( -1.495 0.042 -0.846) 1.719 7.929 ( -1.582 -0.274 0.669) 1.739 11.958 ( -2.324 2.304 0.220) 3.280 11.981 ( -3.314 0.538 -0.112) 3.359 12.156 ( -0.847 -0.511 0.123) 0.997 12.187 ( -1.096 -3.148 -0.173) 3.338 12.372 ( -0.038 0.578 0.015) 0.580 12.394 ( 0.621 -1.562 0.076) 1.683 12.788 ( 1.973 1.856 -0.010) 2.709 12.813 ( 2.174 -0.625 -0.138) 2.266 13.851 ( 0.179 1.339 0.618) 1.486 13.878 ( 0.153 -1.299 0.525) 1.410 14.118 ( -0.126 4.656 -0.858) 4.736 14.124 ( -0.039 2.165 0.386) 2.200 14.171 ( 0.303 -2.422 0.638) 2.523 14.216 ( -0.057 -5.091 -0.879) 5.166 14.386 ( -0.485 2.051 -0.605) 2.192 14.427 ( -0.405 -1.973 -0.650) 2.116 16.572 ( -3.308 0.550 -0.161) 3.357 16.586 ( -3.458 -0.868 -0.399) 3.588 16.665 ( -1.251 1.249 0.336) 1.799 16.683 ( -1.941 -0.527 0.509) 2.075 17.041 ( -0.307 2.141 0.095) 2.165 17.077 ( -0.042 -1.408 -0.161) 1.417 17.298 ( 3.587 1.191 -0.281) 3.790 17.319 ( 3.421 -0.729 -0.075) 3.499 17.442 ( -0.775 2.872 0.520) 3.020 17.484 ( -1.085 -0.822 0.467) 1.439 17.564 ( 0.800 0.119 -0.515) 0.958 17.578 ( 0.319 -0.848 -0.174) 0.922 17.622 ( -1.209 -0.621 -0.989) 1.681 17.634 ( -0.705 -2.177 -0.305) 2.308 17.831 ( 1.360 0.699 0.834) 1.742 17.838 ( 1.319 -0.023 0.747) 1.516 18.915 ( -0.107 0.906 0.412) 1.002 18.943 ( -0.942 -1.711 1.122) 2.252 19.084 ( 0.488 0.238 1.861) 1.938 19.098 ( 0.576 -1.169 1.383) 1.900 19.217 ( -0.675 -0.199 -1.679) 1.820 19.225 ( -1.227 -0.882 -2.007) 2.512 19.538 ( 3.694 1.496 0.390) 4.005 19.561 ( 3.401 -0.806 0.409) 3.519 27.772 ( -0.317 0.825 -0.059) 0.885 27.789 ( 0.128 -1.025 0.053) 1.034 27.909 ( 0.910 -0.329 0.319) 1.019 27.918 ( 0.793 -1.239 -0.206) 1.485 28.137 ( -1.643 1.091 0.043) 1.973 28.169 ( -2.677 -2.040 -0.078) 3.367 28.494 ( 0.061 0.780 -0.166) 0.800 28.499 ( -0.453 0.397 -0.072) 0.607 28.669 ( 0.032 4.939 0.238) 4.945 28.766 ( -0.717 -4.754 0.249) 4.815 28.954 ( 2.306 4.647 -0.385) 5.202 29.026 ( 2.565 -2.171 0.182) 3.365 29.715 ( -1.402 7.150 -1.320) 7.405 29.822 ( -0.107 -3.744 -2.307) 4.399 30.321 ( -5.210 3.517 4.376) 7.659 30.344 ( -3.631 0.919 2.261) 4.375 31.158 ( 0.156 0.761 -0.777) 1.099 31.172 ( 0.174 -0.523 -2.877) 2.930 31.859 ( 1.528 2.398 -0.168) 2.849 31.924 ( 1.121 -3.983 -0.733) 4.202 32.009 ( 0.275 4.720 -0.702) 4.780 32.108 ( 1.164 -4.852 -0.959) 5.081 33.431 ( -4.335 18.061 1.054) 18.604 33.768 ( -4.634 -15.497 1.188) 16.219 35.589 ( 3.926 2.496 -0.575) 4.688 35.653 ( 1.968 -3.724 -2.085) 4.700 35.851 ( -0.260 1.602 0.789) 1.805 35.879 ( -2.185 -1.376 0.958) 2.754 36.330 ( 1.181 3.477 2.024) 4.193 36.402 ( -0.197 -1.712 0.321) 1.753 36.725 ( 3.781 1.302 -0.813) 4.081 36.852 ( -0.201 -9.159 -0.517) 9.176 ======================= Grid point 24 (16/64) ======================= q-point: (-0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.000 21.774 -0.000) 21.774 1.838 ( 0.000 -22.342 -0.000) 22.342 2.003 ( 0.000 15.486 0.000) 15.486 2.220 ( 0.000 -2.887 -0.000) 2.887 2.286 ( 0.000 4.907 0.000) 4.907 2.373 ( 0.000 -3.444 0.000) 3.444 2.434 ( 0.000 5.779 -0.000) 5.779 2.463 ( 0.000 2.943 0.000) 2.943 2.478 ( -0.000 0.533 -0.000) 0.533 2.518 ( 0.000 -2.114 -0.000) 2.114 2.610 ( 0.000 11.788 -0.000) 11.788 2.806 ( 0.000 -3.090 0.000) 3.090 2.880 ( 0.000 2.286 0.000) 2.286 2.911 ( 0.000 5.538 -0.000) 5.538 2.972 ( 0.000 2.493 -0.000) 2.493 3.015 ( 0.000 -2.763 0.000) 2.763 3.109 ( 0.000 8.994 0.000) 8.994 3.155 ( 0.000 -0.951 -0.000) 0.951 3.270 ( -0.000 0.805 0.000) 0.805 3.310 ( 0.000 -8.289 -0.000) 8.289 3.398 ( 0.000 0.315 0.000) 0.315 3.413 ( -0.000 2.709 -0.000) 2.709 3.468 ( -0.000 -4.124 -0.000) 4.124 3.583 ( 0.000 -5.779 0.000) 5.779 3.672 ( 0.000 -1.213 0.000) 1.213 3.743 ( 0.000 -5.313 -0.000) 5.313 3.782 ( -0.000 -1.339 0.000) 1.339 3.802 ( 0.000 2.076 -0.000) 2.076 3.864 ( 0.000 2.763 0.000) 2.763 3.891 ( 0.000 -1.041 -0.000) 1.041 4.097 ( 0.000 3.836 -0.000) 3.836 4.115 ( 0.000 1.579 0.000) 1.579 4.143 ( 0.000 -0.082 -0.000) 0.082 4.164 ( 0.000 1.221 0.000) 1.221 4.263 ( 0.000 1.179 -0.000) 1.179 4.305 ( -0.000 -4.733 -0.000) 4.733 4.446 ( 0.000 0.050 -0.000) 0.050 4.544 ( 0.000 -7.577 0.000) 7.577 4.687 ( 0.000 -0.418 -0.000) 0.418 4.692 ( 0.000 0.267 0.000) 0.267 4.861 ( 0.000 2.252 0.000) 2.252 4.923 ( 0.000 -3.143 0.000) 3.143 5.021 ( 0.000 1.608 0.000) 1.608 5.049 ( 0.000 0.395 -0.000) 0.395 5.056 ( 0.000 1.566 -0.000) 1.566 5.082 ( 0.000 -2.801 0.000) 2.801 5.124 ( 0.000 0.560 0.000) 0.560 5.136 ( 0.000 -0.822 -0.000) 0.822 5.424 ( 0.000 2.974 0.000) 2.974 5.452 ( 0.000 -0.383 -0.000) 0.383 5.563 ( 0.000 7.458 -0.000) 7.458 5.672 ( -0.000 -3.529 0.000) 3.529 5.688 ( 0.000 3.558 -0.000) 3.558 5.736 ( 0.000 -0.284 -0.000) 0.284 5.938 ( 0.000 2.538 0.000) 2.538 5.995 ( 0.000 -1.191 0.000) 1.191 6.053 ( 0.000 1.035 0.000) 1.035 6.106 ( 0.000 -2.977 -0.000) 2.977 6.187 ( 0.000 6.733 0.000) 6.733 6.313 ( 0.000 -4.558 -0.000) 4.558 6.383 ( 0.000 7.168 0.000) 7.168 6.499 ( 0.000 -1.854 -0.000) 1.854 6.809 ( 0.000 -2.580 -0.000) 2.580 6.826 ( 0.000 -1.834 0.000) 1.834 6.944 ( 0.000 4.146 -0.000) 4.146 7.031 ( 0.000 -3.787 -0.000) 3.787 7.394 ( 0.000 1.657 0.000) 1.657 7.434 ( 0.000 -1.249 -0.000) 1.249 7.750 ( 0.000 1.527 -0.000) 1.527 7.782 ( 0.000 -0.629 0.000) 0.629 7.911 ( -0.000 0.017 0.000) 0.017 7.912 ( 0.000 -0.367 -0.000) 0.367 11.939 ( 0.000 1.510 0.000) 1.510 11.943 ( -0.000 1.346 -0.000) 1.346 12.145 ( 0.000 -0.561 -0.000) 0.561 12.174 ( 0.000 -3.194 -0.000) 3.194 12.374 ( 0.000 0.836 -0.000) 0.836 12.401 ( 0.000 -1.870 -0.000) 1.870 12.807 ( 0.000 1.990 0.000) 1.990 12.835 ( 0.000 -0.679 -0.000) 0.679 13.854 ( 0.000 1.342 0.000) 1.342 13.880 ( 0.000 -1.246 0.000) 1.246 14.116 ( 0.000 4.664 0.000) 4.664 14.124 ( 0.000 2.428 -0.000) 2.428 14.174 ( 0.000 -2.538 -0.000) 2.538 14.215 ( 0.000 -5.141 0.000) 5.141 14.381 ( 0.000 2.043 0.000) 2.043 14.423 ( 0.000 -2.048 0.000) 2.048 16.537 ( 0.000 0.378 0.000) 0.378 16.549 ( 0.000 -1.023 -0.000) 1.023 16.657 ( -0.000 0.855 0.000) 0.855 16.664 ( 0.000 0.170 -0.000) 0.170 17.038 ( 0.000 2.089 -0.000) 2.089 17.077 ( 0.000 -1.625 -0.000) 1.625 17.337 ( 0.000 1.220 -0.000) 1.220 17.351 ( -0.000 0.162 0.000) 0.162 17.437 ( 0.000 1.993 -0.000) 1.993 17.470 ( 0.000 -0.890 -0.000) 0.890 17.573 ( 0.000 0.308 0.000) 0.308 17.581 ( 0.000 -0.251 0.000) 0.251 17.607 ( 0.000 -0.722 -0.000) 0.722 17.627 ( 0.000 -2.844 0.000) 2.844 17.846 ( 0.000 0.776 -0.000) 0.776 17.851 ( 0.000 0.159 -0.000) 0.159 18.916 ( 0.000 0.385 0.000) 0.385 18.932 ( 0.000 -1.168 -0.000) 1.168 19.091 ( 0.000 -0.038 0.000) 0.038 19.104 ( 0.000 -1.336 -0.000) 1.336 19.211 ( 0.000 -0.445 0.000) 0.445 19.212 ( 0.000 -0.439 -0.000) 0.439 19.576 ( 0.000 1.435 0.000) 1.435 19.595 ( 0.000 -0.542 0.000) 0.542 27.769 ( 0.000 0.992 0.000) 0.992 27.792 ( 0.000 -1.395 -0.000) 1.395 27.920 ( 0.000 -0.405 0.000) 0.405 27.925 ( 0.000 -0.767 -0.000) 0.767 28.129 ( 0.000 -0.390 0.000) 0.390 28.131 ( -0.000 -0.865 -0.000) 0.865 28.489 ( 0.000 1.243 0.000) 1.243 28.498 ( 0.000 0.412 0.000) 0.412 28.670 ( 0.000 4.433 -0.000) 4.433 28.758 ( 0.000 -4.370 0.000) 4.370 28.979 ( 0.000 4.893 -0.000) 4.893 29.053 ( 0.000 -1.894 -0.000) 1.894 29.699 ( 0.000 8.108 -0.000) 8.108 29.819 ( 0.000 -3.976 -0.000) 3.976 30.270 ( 0.000 3.996 -0.000) 3.996 30.307 ( 0.000 0.228 0.000) 0.228 31.159 ( 0.000 0.673 -0.000) 0.673 31.172 ( 0.000 -0.481 -0.000) 0.481 31.874 ( 0.000 2.104 -0.000) 2.104 31.934 ( 0.000 -3.784 -0.000) 3.784 32.016 ( 0.000 5.019 0.000) 5.019 32.122 ( 0.000 -5.344 -0.000) 5.344 33.383 ( 0.000 18.265 0.000) 18.265 33.719 ( 0.000 -15.234 0.000) 15.234 35.651 ( 0.000 -0.063 -0.000) 0.063 35.660 ( 0.000 -0.630 0.000) 0.630 35.839 ( 0.000 0.636 -0.000) 0.636 35.858 ( 0.000 -0.961 -0.000) 0.961 36.341 ( 0.000 3.412 0.000) 3.412 36.401 ( 0.000 -0.339 -0.000) 0.339 36.768 ( 0.000 -2.225 0.000) 2.225 36.847 ( 0.000 -7.808 -0.000) 7.808 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -9.179 0.000 26.287) 27.843 0.536 ( 2.477 0.000 28.150) 28.259 0.989 ( 11.182 0.000 50.828) 52.043 1.856 ( -1.335 0.000 -12.588) 12.659 1.913 ( 14.692 0.000 -18.867) 23.913 2.204 ( 1.194 0.000 0.940) 1.520 2.359 ( 1.705 0.000 0.114) 1.708 2.366 ( -3.946 0.000 5.127) 6.469 2.530 ( -2.450 0.000 1.760) 3.017 2.625 ( 1.880 0.000 2.199) 2.894 2.678 ( -0.985 0.000 5.016) 5.112 2.698 ( -3.096 0.000 1.663) 3.514 2.807 ( 5.678 0.000 12.486) 13.716 2.888 ( -1.413 0.000 1.673) 2.190 2.984 ( 11.629 0.000 -1.335) 11.705 3.061 ( 1.896 0.000 0.503) 1.962 3.215 ( 0.007 0.000 -0.530) 0.530 3.226 ( -1.977 0.000 3.222) 3.780 3.243 ( -0.353 0.000 -0.806) 0.880 3.255 ( -4.043 0.000 3.768) 5.527 3.300 ( 0.396 0.000 -0.405) 0.567 3.478 ( -5.655 0.000 -10.278) 11.731 3.520 ( -10.870 0.000 0.859) 10.904 3.524 ( -2.310 0.000 1.450) 2.728 3.612 ( 2.503 0.000 -1.733) 3.045 3.656 ( -5.232 0.000 -4.199) 6.709 3.726 ( 0.743 0.000 -8.151) 8.185 3.749 ( 5.427 0.000 -1.861) 5.737 3.953 ( -5.820 0.000 -2.105) 6.189 3.990 ( 1.118 0.000 0.910) 1.441 4.067 ( -0.562 0.000 3.291) 3.339 4.151 ( 2.070 0.000 3.914) 4.428 4.204 ( 1.824 0.000 1.473) 2.345 4.351 ( -0.957 0.000 -1.162) 1.506 4.451 ( -3.798 0.000 -3.581) 5.220 4.517 ( 3.873 0.000 -7.937) 8.831 4.547 ( 0.428 0.000 1.057) 1.141 4.646 ( -1.348 0.000 1.856) 2.293 4.650 ( -3.322 0.000 -6.518) 7.316 4.781 ( -3.745 0.000 2.433) 4.466 4.802 ( -1.860 0.000 2.430) 3.060 4.810 ( 1.683 0.000 -1.417) 2.200 4.915 ( -0.341 0.000 -3.273) 3.291 4.939 ( 2.582 0.000 -1.223) 2.857 5.059 ( -0.807 0.000 -0.337) 0.874 5.177 ( -1.431 0.000 0.447) 1.499 5.183 ( 0.754 0.000 -5.388) 5.441 5.228 ( -2.851 0.000 2.798) 3.995 5.346 ( 1.986 0.000 -2.872) 3.492 5.476 ( 1.726 0.000 -3.435) 3.844 5.479 ( 1.277 0.000 2.533) 2.837 5.541 ( -2.326 0.000 -0.278) 2.342 5.604 ( -1.544 0.000 4.140) 4.418 5.666 ( 2.719 0.000 3.154) 4.164 5.736 ( -0.908 0.000 1.531) 1.780 5.875 ( -6.767 0.000 1.160) 6.866 6.049 ( 1.332 0.000 3.649) 3.884 6.090 ( -1.185 0.000 6.501) 6.608 6.158 ( 0.941 0.000 -1.002) 1.375 6.319 ( 2.165 0.000 -1.856) 2.852 6.416 ( -15.401 0.000 -4.390) 16.014 6.493 ( -0.967 0.000 -6.811) 6.879 6.752 ( -1.319 0.000 3.295) 3.549 6.816 ( 0.021 0.000 6.553) 6.553 6.957 ( 1.242 0.000 -6.924) 7.035 7.161 ( 0.255 0.000 4.809) 4.816 7.163 ( 13.486 0.000 1.180) 13.538 7.502 ( 28.094 0.000 -2.827) 28.236 7.666 ( -1.155 0.000 -2.884) 3.107 7.797 ( 1.702 0.000 -5.230) 5.500 8.034 ( -0.689 0.000 5.966) 6.006 8.287 ( -9.301 0.000 -1.587) 9.435 11.919 ( -0.317 0.000 1.175) 1.217 12.029 ( -0.885 0.000 -1.576) 1.808 12.285 ( 0.164 0.000 0.944) 0.958 12.345 ( -0.157 0.000 0.373) 0.405 12.386 ( 0.767 0.000 0.099) 0.773 12.482 ( -0.976 0.000 -1.447) 1.745 12.682 ( 1.067 0.000 0.452) 1.158 12.696 ( -1.117 0.000 0.134) 1.125 13.937 ( -0.846 0.000 1.020) 1.325 13.937 ( 2.865 0.000 2.338) 3.698 13.977 ( -0.779 0.000 1.713) 1.882 14.112 ( 0.424 0.000 1.151) 1.227 14.242 ( 0.537 0.000 -1.422) 1.520 14.276 ( -0.556 0.000 -4.322) 4.358 14.443 ( -0.438 0.000 0.640) 0.775 14.461 ( -0.912 0.000 -0.457) 1.020 16.638 ( 0.574 0.000 -0.305) 0.650 16.666 ( -0.419 0.000 -1.369) 1.432 16.722 ( -6.881 0.000 1.348) 7.012 16.750 ( 0.814 0.000 0.276) 0.859 16.961 ( -0.222 0.000 0.672) 0.708 17.023 ( 0.203 0.000 -0.902) 0.925 17.161 ( 0.238 0.000 -0.375) 0.444 17.163 ( 0.417 0.000 -0.327) 0.530 17.362 ( -0.878 0.000 1.558) 1.788 17.477 ( -1.627 0.000 -1.611) 2.289 17.576 ( -1.216 0.000 1.794) 2.167 17.635 ( 0.316 0.000 -0.172) 0.359 17.723 ( -1.792 0.000 -1.793) 2.535 17.730 ( 0.472 0.000 -0.896) 1.013 17.786 ( -2.114 0.000 0.900) 2.297 17.789 ( 0.929 0.000 0.127) 0.938 19.036 ( -1.654 0.000 -0.041) 1.655 19.047 ( 3.600 0.000 -1.158) 3.782 19.108 ( 1.185 0.000 1.741) 2.106 19.250 ( 2.860 0.000 -2.861) 4.045 19.320 ( 20.093 0.000 1.184) 20.127 19.363 ( -3.483 0.000 -0.132) 3.485 19.384 ( -1.955 0.000 1.611) 2.533 19.465 ( 3.085 0.000 -0.211) 3.093 27.754 ( -0.243 0.000 0.214) 0.324 27.776 ( 0.410 0.000 -0.400) 0.573 27.954 ( 10.639 0.000 -0.288) 10.643 27.957 ( -0.901 0.000 -0.275) 0.942 28.093 ( -0.237 0.000 0.575) 0.622 28.128 ( -2.565 0.000 -0.444) 2.603 28.356 ( 0.482 0.000 1.295) 1.382 28.425 ( -1.068 0.000 -0.922) 1.411 28.480 ( 1.142 0.000 2.023) 2.323 28.624 ( -0.427 0.000 -1.778) 1.828 28.709 ( -0.213 0.000 3.271) 3.278 28.955 ( -0.037 0.000 -2.561) 2.562 29.192 ( 0.279 0.000 1.667) 1.691 29.518 ( 5.096 0.000 -9.292) 10.598 30.063 ( 0.517 0.000 6.438) 6.459 30.300 ( -0.148 0.000 -2.027) 2.032 31.210 ( 0.691 0.000 8.130) 8.159 31.635 ( 1.164 0.000 -3.045) 3.260 31.682 ( -2.064 0.000 3.841) 4.361 32.019 ( -1.900 0.000 8.368) 8.581 32.065 ( -2.015 0.000 -4.731) 5.142 32.708 ( -0.507 0.000 -8.481) 8.496 34.185 ( -27.990 0.000 1.914) 28.055 34.380 ( 6.110 0.000 -3.135) 6.867 35.443 ( -2.701 0.000 0.543) 2.755 35.557 ( 1.962 0.000 -2.477) 3.161 35.774 ( -16.352 0.000 3.200) 16.663 35.975 ( 1.049 0.000 -2.153) 2.394 36.186 ( -2.777 0.000 4.165) 5.006 36.358 ( 32.679 0.000 -1.203) 32.701 36.598 ( 0.053 0.000 6.451) 6.451 37.198 ( 0.326 0.000 -7.473) 7.480 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 13.532 0.000 8.471) 15.965 0.685 ( 9.371 0.000 24.460) 26.194 1.297 ( 13.045 0.000 42.227) 44.196 1.847 ( 1.713 0.000 -14.255) 14.358 2.078 ( 2.422 0.000 -17.610) 17.776 2.251 ( 2.998 0.000 0.495) 3.039 2.281 ( -5.295 0.000 6.829) 8.641 2.375 ( -1.187 0.000 -0.954) 1.523 2.430 ( -6.337 0.000 1.247) 6.458 2.558 ( -5.765 0.000 7.645) 9.575 2.672 ( -2.533 0.000 -4.878) 5.497 2.701 ( 1.543 0.000 2.166) 2.660 2.877 ( 1.525 0.000 1.546) 2.171 2.899 ( 0.369 0.000 12.719) 12.725 3.030 ( -3.944 0.000 1.938) 4.394 3.037 ( -2.164 0.000 0.559) 2.235 3.133 ( -6.233 0.000 -5.826) 8.532 3.245 ( 2.682 0.000 0.340) 2.704 3.277 ( 3.299 0.000 5.225) 6.179 3.326 ( 0.540 0.000 -1.878) 1.955 3.343 ( -5.296 0.000 -9.660) 11.017 3.384 ( 14.671 0.000 4.435) 15.327 3.497 ( 4.740 0.000 -1.968) 5.132 3.565 ( -2.996 0.000 -3.257) 4.425 3.601 ( 8.305 0.000 2.515) 8.677 3.690 ( 0.984 0.000 -1.043) 1.434 3.708 ( 0.999 0.000 -1.927) 2.170 3.799 ( -0.190 0.000 -5.841) 5.844 3.893 ( 0.634 0.000 -3.864) 3.916 3.982 ( -2.047 0.000 1.709) 2.667 4.048 ( -1.873 0.000 2.120) 2.829 4.159 ( -1.303 0.000 4.329) 4.521 4.233 ( 0.301 0.000 -3.142) 3.156 4.310 ( -2.640 0.000 -2.432) 3.589 4.332 ( -6.895 0.000 -3.533) 7.748 4.535 ( -1.444 0.000 -4.068) 4.317 4.580 ( -1.752 0.000 -3.324) 3.757 4.585 ( 2.162 0.000 -5.803) 6.193 4.653 ( 0.987 0.000 1.340) 1.664 4.700 ( -3.931 0.000 4.141) 5.710 4.769 ( -1.534 0.000 3.444) 3.770 4.835 ( 0.081 0.000 -3.608) 3.609 4.937 ( 2.298 0.000 -4.334) 4.905 4.971 ( 0.922 0.000 -2.763) 2.913 5.020 ( -1.527 0.000 2.011) 2.525 5.173 ( -1.011 0.000 3.984) 4.111 5.215 ( 1.823 0.000 2.614) 3.187 5.220 ( 2.994 0.000 -3.847) 4.875 5.363 ( -1.094 0.000 -2.139) 2.402 5.458 ( -1.984 0.000 -2.658) 3.317 5.520 ( 2.340 0.000 2.229) 3.232 5.549 ( 3.228 0.000 2.261) 3.942 5.569 ( -1.334 0.000 1.569) 2.059 5.733 ( 2.976 0.000 5.581) 6.324 5.751 ( 1.079 0.000 1.614) 1.941 5.762 ( -3.905 0.000 6.596) 7.665 6.075 ( -0.277 0.000 5.027) 5.035 6.078 ( 0.949 0.000 4.983) 5.073 6.179 ( -6.666 0.000 5.790) 8.829 6.183 ( 1.106 0.000 -1.314) 1.717 6.405 ( 5.091 0.000 -3.182) 6.004 6.473 ( -0.441 0.000 -5.670) 5.687 6.719 ( -2.445 0.000 2.957) 3.836 6.813 ( -0.541 0.000 3.083) 3.130 6.971 ( 1.019 0.000 -7.920) 7.985 7.154 ( -1.019 0.000 3.737) 3.874 7.235 ( 0.924 0.000 3.042) 3.179 7.604 ( -5.868 0.000 -2.497) 6.377 7.817 ( 0.663 0.000 -4.848) 4.893 7.836 ( -6.594 0.000 -11.440) 13.205 7.947 ( -3.363 0.000 7.941) 8.624 7.999 ( -3.120 0.000 6.116) 6.866 11.885 ( -2.812 0.000 0.836) 2.934 11.965 ( -4.312 0.000 -0.128) 4.314 12.307 ( 1.632 0.000 1.209) 2.031 12.331 ( -1.801 0.000 1.057) 2.088 12.421 ( 2.762 0.000 -0.577) 2.821 12.432 ( -3.174 0.000 -1.647) 3.576 12.693 ( 1.031 0.000 0.691) 1.241 12.733 ( 3.248 0.000 0.681) 3.319 13.919 ( -0.779 0.000 0.396) 0.874 13.920 ( -2.667 0.000 6.784) 7.289 13.975 ( 0.103 0.000 1.750) 1.753 14.103 ( -1.424 0.000 1.136) 1.822 14.248 ( 0.213 0.000 -2.064) 2.075 14.264 ( -0.174 0.000 -4.597) 4.600 14.445 ( 0.529 0.000 0.642) 0.832 14.449 ( -0.193 0.000 0.063) 0.203 16.599 ( -3.432 0.000 -0.059) 3.432 16.625 ( 0.079 0.000 -3.295) 3.295 16.685 ( -2.057 0.000 -0.752) 2.190 16.737 ( -2.610 0.000 0.930) 2.771 16.946 ( -0.394 0.000 0.703) 0.806 17.028 ( 1.024 0.000 -0.442) 1.115 17.211 ( 3.175 0.000 -0.133) 3.178 17.212 ( 3.863 0.000 -0.358) 3.880 17.363 ( 1.025 0.000 0.789) 1.294 17.465 ( 0.189 0.000 -0.275) 0.334 17.574 ( 0.633 0.000 1.323) 1.467 17.646 ( 0.816 0.000 0.221) 0.846 17.683 ( -2.004 0.000 -0.494) 2.064 17.735 ( -0.144 0.000 -0.765) 0.779 17.773 ( 0.655 0.000 -0.630) 0.909 17.801 ( 0.182 0.000 1.138) 1.152 18.996 ( -2.030 0.000 -0.805) 2.184 19.116 ( 2.055 0.000 -1.195) 2.377 19.141 ( 2.538 0.000 3.293) 4.158 19.142 ( -6.763 0.000 -3.581) 7.653 19.297 ( -2.771 0.000 -2.330) 3.620 19.339 ( -2.188 0.000 0.936) 2.380 19.510 ( 4.082 0.000 -0.245) 4.089 19.546 ( -0.491 0.000 3.298) 3.334 27.749 ( -0.254 0.000 0.074) 0.265 27.788 ( 0.730 0.000 -0.250) 0.772 27.931 ( -1.362 0.000 -1.093) 1.747 27.979 ( -2.202 0.000 0.770) 2.333 28.110 ( 1.429 0.000 0.934) 1.707 28.275 ( 7.234 0.000 -7.423) 10.365 28.370 ( 0.719 0.000 1.604) 1.758 28.402 ( -0.970 0.000 -0.718) 1.207 28.489 ( -0.382 0.000 1.918) 1.955 28.611 ( -0.139 0.000 -2.986) 2.989 28.702 ( -0.666 0.000 3.182) 3.251 28.948 ( -0.342 0.000 -1.936) 1.966 29.254 ( 5.473 0.000 1.630) 5.711 29.649 ( 5.867 0.000 -17.278) 18.248 30.110 ( 3.204 0.000 2.821) 4.269 30.272 ( -2.483 0.000 -2.009) 3.194 31.240 ( 1.602 0.000 8.528) 8.677 31.546 ( -12.176 0.000 22.043) 25.182 31.685 ( 3.901 0.000 -1.923) 4.349 31.974 ( -2.239 0.000 6.229) 6.619 32.056 ( 1.411 0.000 -7.290) 7.426 32.641 ( -4.954 0.000 -8.099) 9.495 32.901 ( -44.703 0.000 50.924) 67.762 34.391 ( -5.174 0.000 -3.523) 6.260 35.465 ( 5.296 0.000 0.621) 5.332 35.621 ( 2.782 0.000 0.689) 2.866 35.811 ( 1.439 0.000 -1.640) 2.182 36.023 ( 3.178 0.000 1.119) 3.369 36.118 ( -3.719 0.000 0.657) 3.776 36.574 ( -2.866 0.000 7.120) 7.675 37.029 ( 19.555 0.000 -26.194) 32.689 37.201 ( 0.810 0.000 -8.324) 8.364 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 15.367 0.000 -8.087) 17.365 0.887 ( 8.232 0.000 19.655) 21.309 1.460 ( -0.380 0.000 24.029) 24.032 1.910 ( 5.837 0.000 -9.966) 11.549 1.943 ( -13.029 0.000 -19.192) 23.197 2.180 ( -6.383 0.000 1.138) 6.483 2.267 ( -1.035 0.000 -1.962) 2.219 2.339 ( -1.276 0.000 0.609) 1.413 2.388 ( 2.221 0.000 5.321) 5.766 2.481 ( -1.248 0.000 1.482) 1.937 2.585 ( -4.643 0.000 0.259) 4.650 2.668 ( -5.772 0.000 -6.342) 8.575 2.857 ( -1.199 0.000 14.224) 14.274 2.874 ( -3.599 0.000 4.938) 6.111 2.993 ( -5.391 0.000 -6.734) 8.626 3.044 ( 5.683 0.000 -2.277) 6.123 3.100 ( 2.868 0.000 4.467) 5.308 3.254 ( -4.063 0.000 2.008) 4.532 3.284 ( 0.808 0.000 -5.411) 5.471 3.326 ( 3.990 0.000 -0.899) 4.090 3.358 ( 1.434 0.000 1.128) 1.824 3.516 ( 0.500 0.000 -5.579) 5.601 3.566 ( 1.251 0.000 3.465) 3.684 3.660 ( 1.077 0.000 -7.284) 7.363 3.669 ( 4.180 0.000 -1.761) 4.535 3.700 ( 1.880 0.000 -6.087) 6.371 3.767 ( 1.974 0.000 3.279) 3.827 3.825 ( 6.252 0.000 8.409) 10.478 3.932 ( -0.308 0.000 1.461) 1.493 3.935 ( 2.608 0.000 -1.490) 3.003 3.992 ( -4.010 0.000 0.804) 4.089 4.142 ( -0.613 0.000 3.587) 3.639 4.152 ( -6.539 0.000 -3.717) 7.522 4.273 ( 0.969 0.000 1.391) 1.695 4.279 ( -0.294 0.000 0.539) 0.614 4.511 ( -0.504 0.000 -1.703) 1.776 4.540 ( -1.156 0.000 -1.832) 2.167 4.611 ( -0.412 0.000 -3.321) 3.346 4.625 ( -2.929 0.000 -0.415) 2.958 4.682 ( 0.773 0.000 3.065) 3.161 4.760 ( 0.487 0.000 4.467) 4.493 4.813 ( -0.839 0.000 1.493) 1.712 4.939 ( -1.539 0.000 -3.244) 3.590 5.013 ( 3.328 0.000 -7.092) 7.835 5.029 ( 1.361 0.000 2.210) 2.596 5.160 ( -0.171 0.000 5.444) 5.446 5.259 ( 0.954 0.000 -0.272) 0.992 5.271 ( 3.313 0.000 -0.358) 3.332 5.325 ( -1.464 0.000 -2.445) 2.849 5.452 ( 1.167 0.000 -4.842) 4.981 5.538 ( -1.882 0.000 4.969) 5.314 5.553 ( 0.612 0.000 2.995) 3.057 5.635 ( 4.196 0.000 2.498) 4.883 5.729 ( -0.182 0.000 6.796) 6.799 5.761 ( 0.060 0.000 1.886) 1.887 5.782 ( 0.882 0.000 7.553) 7.605 6.074 ( -1.332 0.000 5.158) 5.327 6.099 ( 2.198 0.000 5.394) 5.824 6.141 ( 0.684 0.000 3.278) 3.348 6.186 ( -0.508 0.000 -2.841) 2.886 6.465 ( -0.296 0.000 -3.781) 3.792 6.491 ( 3.412 0.000 -7.275) 8.035 6.672 ( -1.928 0.000 -0.485) 1.988 6.805 ( -0.398 0.000 1.536) 1.587 6.981 ( 0.637 0.000 -8.284) 8.309 7.138 ( -0.847 0.000 2.602) 2.736 7.242 ( -1.753 0.000 2.668) 3.193 7.386 ( -11.719 0.000 -0.956) 11.758 7.682 ( -2.908 0.000 0.255) 2.919 7.812 ( -0.902 0.000 -4.382) 4.474 7.945 ( -2.247 0.000 4.970) 5.454 8.025 ( 3.537 0.000 -6.691) 7.569 11.833 ( -2.235 0.000 0.597) 2.313 11.890 ( -2.989 0.000 -0.329) 3.007 12.289 ( -2.104 0.000 1.280) 2.463 12.334 ( 0.748 0.000 1.094) 1.325 12.382 ( -1.456 0.000 -1.039) 1.789 12.473 ( 2.221 0.000 -1.553) 2.710 12.724 ( 1.682 0.000 1.232) 2.085 12.786 ( 1.861 0.000 0.354) 1.894 13.878 ( -2.092 0.000 4.900) 5.328 13.914 ( 0.285 0.000 0.383) 0.477 13.984 ( 0.521 0.000 2.979) 3.024 14.067 ( -2.056 0.000 0.867) 2.231 14.245 ( -0.269 0.000 -3.046) 3.058 14.264 ( 0.453 0.000 -4.084) 4.109 14.453 ( 0.504 0.000 0.949) 1.074 14.460 ( 0.803 0.000 0.872) 1.185 16.539 ( -2.332 0.000 -0.078) 2.333 16.620 ( -2.720 0.000 -0.142) 2.724 16.645 ( 0.873 0.000 -5.095) 5.169 16.671 ( -3.565 0.000 0.638) 3.622 16.957 ( 1.107 0.000 0.848) 1.395 17.050 ( 0.793 0.000 -0.074) 0.796 17.255 ( 1.361 0.000 0.003) 1.361 17.277 ( 2.484 0.000 -0.693) 2.579 17.397 ( 2.051 0.000 0.239) 2.065 17.467 ( 0.060 0.000 -0.386) 0.390 17.594 ( 1.087 0.000 1.102) 1.548 17.651 ( -1.174 0.000 0.148) 1.184 17.667 ( 1.249 0.000 0.536) 1.359 17.719 ( -1.375 0.000 -1.037) 1.723 17.793 ( 1.112 0.000 -1.562) 1.918 17.796 ( -0.757 0.000 1.191) 1.412 18.968 ( -0.602 0.000 -0.236) 0.646 19.026 ( -4.668 0.000 -3.349) 5.746 19.094 ( -2.836 0.000 -4.236) 5.098 19.208 ( 1.924 0.000 -0.498) 1.988 19.251 ( -0.891 0.000 0.157) 0.905 19.341 ( 2.140 0.000 4.501) 4.984 19.506 ( -3.005 0.000 6.139) 6.835 19.572 ( 2.075 0.000 -0.780) 2.217 27.746 ( -0.041 0.000 0.152) 0.157 27.800 ( 0.435 0.000 -0.525) 0.682 27.913 ( -0.297 0.000 -0.844) 0.895 27.948 ( -1.272 0.000 0.522) 1.375 28.134 ( 0.828 0.000 1.496) 1.710 28.322 ( -0.349 0.000 -3.558) 3.575 28.385 ( 0.676 0.000 1.681) 1.812 28.396 ( 0.441 0.000 -0.357) 0.568 28.472 ( -1.370 0.000 1.622) 2.123 28.620 ( 1.085 0.000 -5.028) 5.144 28.692 ( -0.575 0.000 3.169) 3.221 28.941 ( -0.228 0.000 -1.782) 1.797 29.373 ( 5.673 0.000 1.139) 5.786 29.702 ( 1.701 0.000 -13.384) 13.492 30.148 ( 0.101 0.000 1.362) 1.366 30.213 ( -2.900 0.000 -1.574) 3.300 31.275 ( 0.022 0.000 11.885) 11.885 31.371 ( -5.119 0.000 22.844) 23.411 31.762 ( 3.304 0.000 -1.320) 3.558 31.955 ( -0.433 0.000 4.458) 4.479 32.099 ( 3.647 0.000 -8.969) 9.682 32.507 ( -8.640 0.000 30.557) 31.755 32.539 ( -4.162 0.000 -6.854) 8.019 34.222 ( -9.681 0.000 -10.652) 14.394 35.617 ( 9.113 0.000 1.383) 9.217 35.688 ( 3.936 0.000 1.216) 4.120 35.793 ( -2.253 0.000 -0.298) 2.273 35.978 ( -6.567 0.000 3.061) 7.245 36.155 ( 5.681 0.000 2.019) 6.029 36.510 ( -4.021 0.000 8.081) 9.026 37.170 ( 1.552 0.000 -12.401) 12.498 37.229 ( 2.155 0.000 -14.095) 14.259 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -3.396 0.000 16.891) 17.229 0.969 ( -4.701 0.000 -13.167) 13.981 1.387 ( -5.054 0.000 13.867) 14.759 1.663 ( -11.801 0.000 -25.197) 27.823 2.021 ( 4.788 0.000 -5.478) 7.276 2.076 ( -1.380 0.000 -1.837) 2.297 2.242 ( -2.350 0.000 -2.180) 3.205 2.332 ( 0.247 0.000 2.837) 2.848 2.447 ( 2.737 0.000 4.782) 5.510 2.473 ( -0.105 0.000 -10.566) 10.567 2.573 ( 2.934 0.000 9.082) 9.544 2.605 ( 2.011 0.000 -1.375) 2.436 2.809 ( -5.645 0.000 1.322) 5.797 2.815 ( -2.172 0.000 4.655) 5.137 2.928 ( 0.046 0.000 2.187) 2.187 3.113 ( -1.987 0.000 0.194) 1.996 3.162 ( 6.011 0.000 1.819) 6.281 3.198 ( -0.993 0.000 0.769) 1.256 3.318 ( 1.866 0.000 -3.077) 3.599 3.341 ( -2.955 0.000 5.813) 6.521 3.347 ( -4.497 0.000 -6.560) 7.953 3.536 ( -3.427 0.000 -9.185) 9.803 3.544 ( 1.484 0.000 -4.807) 5.031 3.567 ( -0.632 0.000 -1.240) 1.392 3.739 ( 4.477 0.000 -3.951) 5.972 3.789 ( 0.010 0.000 1.063) 1.063 3.810 ( 4.314 0.000 1.954) 4.736 3.877 ( 1.257 0.000 4.392) 4.568 3.911 ( -3.384 0.000 1.375) 3.653 3.957 ( -1.456 0.000 3.080) 3.406 4.055 ( -0.674 0.000 -2.624) 2.709 4.063 ( 7.157 0.000 5.515) 9.035 4.171 ( 2.775 0.000 5.014) 5.730 4.281 ( 0.537 0.000 2.252) 2.315 4.297 ( -0.132 0.000 2.120) 2.124 4.510 ( 0.206 0.000 2.675) 2.683 4.524 ( -1.745 0.000 -2.639) 3.164 4.580 ( -0.605 0.000 -2.767) 2.833 4.610 ( 2.448 0.000 2.453) 3.466 4.697 ( 0.910 0.000 0.415) 1.000 4.789 ( 1.855 0.000 4.871) 5.212 4.831 ( 1.882 0.000 4.026) 4.445 4.903 ( -1.434 0.000 -4.873) 5.080 5.043 ( -0.307 0.000 3.353) 3.367 5.054 ( 1.153 0.000 -7.409) 7.498 5.175 ( 0.986 0.000 5.474) 5.562 5.260 ( -1.204 0.000 -0.958) 1.539 5.325 ( 1.816 0.000 -0.144) 1.822 5.333 ( 3.027 0.000 -3.183) 4.393 5.458 ( -0.497 0.000 -4.287) 4.315 5.504 ( -1.589 0.000 0.836) 1.795 5.548 ( -1.359 0.000 4.352) 4.560 5.689 ( 0.169 0.000 6.303) 6.306 5.746 ( 1.275 0.000 8.701) 8.794 5.780 ( 2.103 0.000 3.206) 3.835 5.780 ( -1.614 0.000 8.048) 8.209 6.049 ( -1.759 0.000 3.511) 3.927 6.133 ( -0.342 0.000 3.035) 3.054 6.154 ( -0.111 0.000 2.332) 2.334 6.186 ( 1.248 0.000 0.889) 1.532 6.456 ( 0.549 0.000 -3.214) 3.260 6.499 ( -2.131 0.000 -10.928) 11.134 6.659 ( 0.642 0.000 -2.664) 2.740 6.800 ( -0.301 0.000 1.750) 1.776 6.979 ( -0.220 0.000 -8.546) 8.549 7.096 ( -8.661 0.000 -8.302) 11.998 7.126 ( -0.549 0.000 2.047) 2.119 7.316 ( 0.269 0.000 3.381) 3.392 7.659 ( -0.052 0.000 0.118) 0.129 7.779 ( -1.698 0.000 -3.915) 4.267 7.936 ( 0.892 0.000 3.555) 3.666 8.073 ( 2.501 0.000 -5.246) 5.812 11.812 ( 0.164 0.000 0.625) 0.646 11.861 ( 0.155 0.000 -0.456) 0.482 12.265 ( -0.313 0.000 1.095) 1.138 12.336 ( -0.124 0.000 0.213) 0.247 12.376 ( 0.425 0.000 0.234) 0.485 12.493 ( -0.077 0.000 -1.938) 1.939 12.749 ( 0.570 0.000 1.819) 1.906 12.800 ( -0.491 0.000 -0.101) 0.501 13.848 ( -1.264 0.000 3.129) 3.374 13.926 ( 0.692 0.000 0.924) 1.154 13.996 ( 0.348 0.000 3.335) 3.354 14.040 ( -0.401 0.000 0.643) 0.758 14.235 ( -0.386 0.000 -3.366) 3.388 14.274 ( 0.892 0.000 -3.321) 3.439 14.465 ( 0.569 0.000 1.384) 1.496 14.472 ( 0.233 0.000 1.043) 1.069 16.513 ( -0.481 0.000 -0.247) 0.541 16.578 ( -0.929 0.000 -1.519) 1.781 16.627 ( -0.437 0.000 0.041) 0.438 16.675 ( 2.327 0.000 -2.827) 3.662 16.977 ( 0.749 0.000 1.491) 1.669 17.051 ( -0.621 0.000 -0.517) 0.808 17.267 ( -0.070 0.000 0.059) 0.092 17.300 ( -0.080 0.000 -0.973) 0.976 17.426 ( 0.690 0.000 0.443) 0.820 17.469 ( 0.276 0.000 -0.565) 0.628 17.611 ( 0.579 0.000 0.816) 1.000 17.642 ( 0.204 0.000 1.568) 1.581 17.674 ( -1.482 0.000 -0.256) 1.504 17.704 ( 1.023 0.000 -0.674) 1.225 17.777 ( -1.216 0.000 0.246) 1.241 17.805 ( 0.239 0.000 -1.578) 1.596 18.953 ( -2.578 0.000 -3.449) 4.306 18.976 ( 1.062 0.000 0.507) 1.176 19.033 ( -2.632 0.000 -5.159) 5.791 19.167 ( -2.819 0.000 -5.639) 6.304 19.309 ( 3.714 0.000 6.034) 7.085 19.394 ( 2.299 0.000 5.248) 5.730 19.445 ( -3.744 0.000 4.234) 5.652 19.583 ( -0.900 0.000 -1.707) 1.930 27.748 ( 0.182 0.000 0.366) 0.408 27.798 ( -0.537 0.000 -1.065) 1.193 27.919 ( 0.876 0.000 0.050) 0.877 27.924 ( -1.342 0.000 -0.266) 1.368 28.146 ( 0.334 0.000 1.939) 1.968 28.300 ( -1.086 0.000 -2.739) 2.947 28.395 ( 0.116 0.000 1.323) 1.328 28.412 ( 0.873 0.000 -0.096) 0.878 28.446 ( -1.158 0.000 1.243) 1.698 28.632 ( 0.429 0.000 -5.064) 5.082 28.688 ( -0.052 0.000 3.259) 3.260 28.938 ( 0.123 0.000 -1.923) 1.927 29.432 ( -0.464 0.000 0.578) 0.741 29.707 ( -0.307 0.000 -11.452) 11.456 30.125 ( -2.087 0.000 2.573) 3.313 30.184 ( 0.430 0.000 -1.015) 1.102 31.239 ( -2.862 0.000 15.009) 15.279 31.401 ( 4.171 0.000 13.945) 14.556 31.778 ( -1.660 0.000 -2.892) 3.334 31.956 ( 0.067 0.000 5.620) 5.620 32.180 ( 4.760 0.000 -5.942) 7.614 32.463 ( 0.570 0.000 27.246) 27.252 32.487 ( -0.432 0.000 -6.949) 6.963 34.070 ( -3.648 0.000 -15.994) 16.405 35.715 ( -2.869 0.000 -0.566) 2.924 35.765 ( 2.442 0.000 -1.539) 2.886 35.795 ( 4.060 0.000 2.640) 4.842 35.860 ( -2.320 0.000 4.154) 4.758 36.254 ( 3.015 0.000 7.003) 7.625 36.454 ( -1.481 0.000 7.948) 8.085 37.169 ( -0.380 0.000 -11.986) 11.992 37.231 ( -0.580 0.000 -13.486) 13.499 ======================= Grid point 53 (21/64) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -15.383 0.000 -1.188) 15.429 0.797 ( -13.010 0.000 16.849) 21.287 1.274 ( -10.469 0.000 18.177) 20.976 1.517 ( 0.190 0.000 -27.692) 27.693 2.022 ( -4.139 0.000 -6.585) 7.777 2.152 ( 7.716 0.000 0.337) 7.724 2.206 ( -0.375 0.000 -2.603) 2.630 2.356 ( 2.186 0.000 3.714) 4.310 2.495 ( 2.700 0.000 -2.364) 3.589 2.515 ( 3.320 0.000 5.689) 6.587 2.645 ( 4.015 0.000 -4.174) 5.791 2.682 ( 3.761 0.000 1.105) 3.920 2.704 ( -3.796 0.000 3.207) 4.969 2.797 ( -0.555 0.000 3.048) 3.098 2.989 ( 5.620 0.000 -1.257) 5.759 3.060 ( -1.829 0.000 -0.763) 1.981 3.117 ( -12.250 0.000 -4.017) 12.892 3.222 ( 3.059 0.000 -0.737) 3.146 3.264 ( 2.695 0.000 1.543) 3.105 3.290 ( -2.641 0.000 4.131) 4.903 3.403 ( 4.368 0.000 -2.640) 5.104 3.502 ( -0.382 0.000 -0.484) 0.616 3.550 ( -0.256 0.000 -3.963) 3.971 3.580 ( 1.305 0.000 -4.465) 4.652 3.752 ( -1.627 0.000 2.396) 2.896 3.771 ( -2.801 0.000 1.455) 3.156 3.842 ( -4.741 0.000 1.785) 5.066 3.877 ( 0.687 0.000 3.110) 3.184 3.900 ( -2.618 0.000 -1.484) 3.010 3.939 ( 5.502 0.000 0.015) 5.502 4.102 ( 3.680 0.000 -1.818) 4.104 4.128 ( -0.514 0.000 2.453) 2.506 4.223 ( -2.436 0.000 2.800) 3.712 4.304 ( 6.024 0.000 0.298) 6.031 4.320 ( 2.695 0.000 -0.071) 2.696 4.460 ( -2.409 0.000 -5.513) 6.017 4.521 ( 0.622 0.000 5.075) 5.113 4.620 ( 3.699 0.000 -1.678) 4.062 4.687 ( 2.086 0.000 -0.451) 2.134 4.746 ( 5.025 0.000 6.637) 8.325 4.825 ( 1.026 0.000 3.136) 3.300 4.860 ( 0.147 0.000 4.352) 4.354 4.885 ( 0.042 0.000 -5.235) 5.235 5.026 ( -1.264 0.000 2.241) 2.573 5.036 ( -2.492 0.000 -5.735) 6.253 5.203 ( 1.633 0.000 4.602) 4.883 5.223 ( -1.836 0.000 -4.083) 4.477 5.351 ( -0.166 0.000 -2.772) 2.777 5.361 ( -0.696 0.000 -2.207) 2.314 5.448 ( -0.193 0.000 2.569) 2.576 5.490 ( 1.072 0.000 -5.095) 5.206 5.516 ( -1.935 0.000 3.335) 3.856 5.668 ( -2.059 0.000 6.518) 6.836 5.713 ( -4.709 0.000 2.752) 5.455 5.816 ( 0.277 0.000 5.155) 5.162 5.844 ( 8.298 0.000 19.679) 21.357 6.018 ( -1.423 0.000 2.169) 2.594 6.115 ( -1.118 0.000 1.454) 1.834 6.135 ( -1.660 0.000 3.784) 4.132 6.188 ( -1.319 0.000 1.753) 2.194 6.412 ( -4.829 0.000 -8.455) 9.737 6.497 ( 2.658 0.000 -2.833) 3.885 6.693 ( 3.107 0.000 2.905) 4.253 6.796 ( -0.308 0.000 1.829) 1.854 6.931 ( -5.341 0.000 -16.100) 16.963 6.984 ( -1.479 0.000 -8.379) 8.508 7.122 ( 0.102 0.000 2.020) 2.022 7.321 ( -0.293 0.000 4.126) 4.136 7.669 ( 0.814 0.000 0.091) 0.819 7.756 ( -0.119 0.000 -4.695) 4.696 7.973 ( 2.260 0.000 3.517) 4.180 8.130 ( 4.072 0.000 -3.586) 5.427 11.839 ( 2.418 0.000 0.865) 2.568 11.896 ( 3.401 0.000 -0.579) 3.450 12.280 ( 1.706 0.000 0.941) 1.948 12.329 ( -1.033 0.000 0.801) 1.307 12.399 ( 2.250 0.000 -0.192) 2.258 12.467 ( -2.327 0.000 -1.801) 2.942 12.746 ( -0.967 0.000 2.113) 2.323 12.768 ( -2.621 0.000 -0.471) 2.663 13.836 ( -0.107 0.000 2.816) 2.818 13.937 ( 0.353 0.000 1.726) 1.762 14.000 ( -0.183 0.000 2.920) 2.926 14.055 ( 1.630 0.000 0.340) 1.665 14.228 ( -0.028 0.000 -2.915) 2.915 14.288 ( 0.586 0.000 -2.977) 3.034 14.470 ( -0.499 0.000 1.054) 1.166 14.474 ( 0.157 0.000 1.076) 1.088 16.521 ( 1.647 0.000 -0.628) 1.763 16.585 ( 1.677 0.000 -2.513) 3.021 16.657 ( 3.102 0.000 -0.424) 3.131 16.731 ( 3.610 0.000 -1.331) 3.848 16.985 ( -0.134 0.000 2.347) 2.351 17.030 ( -1.254 0.000 -1.033) 1.625 17.251 ( -1.667 0.000 -0.120) 1.671 17.273 ( -2.587 0.000 -0.982) 2.767 17.421 ( -1.279 0.000 1.244) 1.784 17.479 ( 0.857 0.000 -1.845) 2.034 17.621 ( 0.209 0.000 0.174) 0.272 17.645 ( -1.054 0.000 -0.697) 1.264 17.662 ( 2.009 0.000 4.816) 5.218 17.725 ( 0.634 0.000 -0.728) 0.965 17.758 ( -0.306 0.000 -0.670) 0.737 17.798 ( -0.780 0.000 -1.111) 1.358 18.904 ( -2.425 0.000 -3.510) 4.266 18.994 ( -0.873 0.000 -3.965) 4.060 19.011 ( 2.126 0.000 1.815) 2.796 19.118 ( -1.700 0.000 -4.567) 4.874 19.374 ( -3.530 0.000 2.495) 4.323 19.374 ( 2.265 0.000 5.656) 6.093 19.425 ( 0.431 0.000 4.518) 4.538 19.539 ( -3.206 0.000 -2.376) 3.991 27.752 ( 0.246 0.000 0.553) 0.605 27.784 ( -0.696 0.000 -1.079) 1.284 27.892 ( -1.891 0.000 -1.029) 2.152 27.939 ( 1.038 0.000 0.403) 1.114 28.147 ( -0.619 0.000 2.078) 2.168 28.283 ( -0.523 0.000 -3.320) 3.361 28.386 ( -1.155 0.000 0.068) 1.157 28.418 ( 0.142 0.000 0.584) 0.601 28.444 ( 0.542 0.000 0.376) 0.660 28.629 ( -0.227 0.000 -3.775) 3.781 28.694 ( 0.379 0.000 3.338) 3.360 28.943 ( 0.494 0.000 -2.201) 2.255 29.360 ( -6.043 0.000 0.596) 6.072 29.660 ( -3.694 0.000 -12.610) 13.140 30.089 ( -1.672 0.000 4.107) 4.434 30.224 ( 3.200 0.000 -1.062) 3.372 31.209 ( -1.413 0.000 11.257) 11.345 31.518 ( 6.567 0.000 12.255) 13.904 31.714 ( -3.857 0.000 -3.917) 5.497 31.972 ( 1.195 0.000 7.932) 8.022 32.214 ( -1.933 0.000 -2.584) 3.227 32.536 ( 6.297 0.000 -7.863) 10.074 32.584 ( 11.006 0.000 38.553) 40.094 34.075 ( 5.277 0.000 -16.609) 17.427 35.649 ( -3.294 0.000 -0.470) 3.328 35.664 ( -7.379 0.000 2.215) 7.704 35.886 ( 4.604 0.000 3.681) 5.895 35.936 ( 4.262 0.000 -1.070) 4.395 36.257 ( -2.345 0.000 9.301) 9.592 36.489 ( 3.533 0.000 7.091) 7.922 37.106 ( -6.400 0.000 -21.789) 22.710 37.206 ( -0.399 0.000 -9.819) 9.828 ======================= Grid point 54 (22/64) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -1.633 0.000 26.567) 26.617 0.581 ( -9.030 0.000 22.687) 24.418 1.015 ( -15.534 0.000 32.783) 36.277 1.636 ( 13.131 0.000 -22.557) 26.101 1.920 ( -4.423 0.000 -10.600) 11.486 2.198 ( -0.396 0.000 0.309) 0.502 2.293 ( 5.314 0.000 1.267) 5.463 2.409 ( 1.287 0.000 2.297) 2.633 2.547 ( 3.070 0.000 1.169) 3.285 2.553 ( -0.042 0.000 3.025) 3.025 2.696 ( 0.972 0.000 9.122) 9.174 2.721 ( 1.170 0.000 4.617) 4.763 2.742 ( 4.253 0.000 -3.321) 5.396 2.785 ( 2.155 0.000 -2.619) 3.392 2.938 ( -5.108 0.000 1.891) 5.446 3.027 ( 0.783 0.000 -0.587) 0.978 3.152 ( 7.829 0.000 -2.259) 8.149 3.237 ( -2.600 0.000 0.817) 2.725 3.268 ( -2.067 0.000 2.908) 3.568 3.284 ( 2.529 0.000 -1.905) 3.166 3.374 ( -5.549 0.000 -0.217) 5.553 3.569 ( -2.374 0.000 -6.796) 7.198 3.578 ( 2.876 0.000 -4.591) 5.417 3.586 ( 4.019 0.000 0.134) 4.021 3.660 ( -4.439 0.000 7.919) 9.078 3.702 ( -3.145 0.000 -1.019) 3.306 3.758 ( -4.243 0.000 -5.783) 7.172 3.803 ( -7.905 0.000 -5.794) 9.801 3.934 ( 3.869 0.000 1.510) 4.153 4.027 ( 1.712 0.000 -3.173) 3.605 4.090 ( -2.308 0.000 2.824) 3.647 4.122 ( -1.383 0.000 3.316) 3.593 4.181 ( 0.312 0.000 0.146) 0.345 4.353 ( 0.689 0.000 -0.897) 1.131 4.443 ( 5.231 0.000 -0.913) 5.310 4.458 ( 2.427 0.000 -8.094) 8.450 4.536 ( 0.433 0.000 4.396) 4.418 4.679 ( 1.473 0.000 -4.342) 4.585 4.687 ( -1.586 0.000 -0.081) 1.588 4.796 ( -1.129 0.000 -3.584) 3.757 4.827 ( -0.775 0.000 1.346) 1.553 4.845 ( -2.016 0.000 10.719) 10.907 4.895 ( 1.453 0.000 -2.691) 3.058 4.963 ( -3.856 0.000 -3.474) 5.190 5.033 ( 2.123 0.000 0.007) 2.123 5.193 ( -0.932 0.000 -5.430) 5.510 5.226 ( -0.940 0.000 -1.473) 1.747 5.302 ( -4.471 0.000 1.954) 4.880 5.332 ( -0.458 0.000 -4.926) 4.947 5.450 ( 0.678 0.000 -0.210) 0.710 5.477 ( -1.713 0.000 1.739) 2.440 5.535 ( 2.714 0.000 -2.771) 3.879 5.633 ( -2.125 0.000 6.434) 6.776 5.645 ( -1.236 0.000 1.947) 2.306 5.787 ( -3.195 0.000 2.991) 4.376 5.982 ( -3.511 0.000 -0.748) 3.590 6.023 ( 1.998 0.000 2.549) 3.239 6.100 ( -0.602 0.000 4.326) 4.368 6.162 ( -1.094 0.000 0.249) 1.122 6.268 ( 12.106 0.000 10.585) 16.081 6.392 ( 16.194 0.000 19.256) 25.160 6.513 ( -0.337 0.000 -5.985) 5.995 6.757 ( 1.341 0.000 6.647) 6.781 6.772 ( -8.415 0.000 -15.766) 17.871 6.797 ( 0.782 0.000 4.598) 4.664 6.968 ( 0.097 0.000 -7.734) 7.734 7.139 ( 1.279 0.000 3.537) 3.761 7.318 ( 0.224 0.000 5.242) 5.247 7.679 ( 0.044 0.000 -1.275) 1.276 7.767 ( 1.545 0.000 -5.407) 5.623 8.017 ( 1.703 0.000 4.577) 4.884 8.234 ( 6.853 0.000 -1.024) 6.929 11.893 ( 2.563 0.000 1.159) 2.813 11.979 ( 4.696 0.000 -1.014) 4.804 12.301 ( -1.567 0.000 0.906) 1.810 12.323 ( 2.292 0.000 0.994) 2.498 12.411 ( -2.903 0.000 -1.312) 3.186 12.456 ( 3.053 0.000 -0.557) 3.104 12.708 ( -3.048 0.000 -0.426) 3.077 12.721 ( -1.564 0.000 1.735) 2.336 13.858 ( 2.501 0.000 3.766) 4.521 13.943 ( 0.038 0.000 1.772) 1.772 13.993 ( -0.764 0.000 2.039) 2.178 14.090 ( 1.629 0.000 0.599) 1.735 14.231 ( 0.539 0.000 -1.998) 2.069 14.288 ( -0.254 0.000 -3.450) 3.459 14.457 ( -0.842 0.000 0.888) 1.224 14.473 ( -0.298 0.000 0.297) 0.420 16.580 ( 4.092 0.000 -0.804) 4.170 16.629 ( 2.711 0.000 -2.486) 3.678 16.720 ( 2.673 0.000 -0.364) 2.698 16.799 ( 2.215 0.000 -1.233) 2.535 16.972 ( -1.391 0.000 1.363) 1.948 17.014 ( -0.002 0.000 -1.102) 1.102 17.202 ( -3.152 0.000 -0.388) 3.175 17.206 ( -3.751 0.000 -0.661) 3.809 17.388 ( -1.867 0.000 1.858) 2.634 17.493 ( 0.478 0.000 -3.724) 3.754 17.610 ( -1.445 0.000 0.138) 1.452 17.634 ( -0.158 0.000 -0.476) 0.502 17.725 ( -0.002 0.000 -1.174) 1.174 17.731 ( 2.867 0.000 2.757) 3.978 17.769 ( 1.068 0.000 -0.607) 1.229 17.786 ( 0.622 0.000 2.058) 2.150 18.889 ( 4.764 0.000 6.618) 8.154 18.997 ( 1.546 0.000 -2.363) 2.824 19.046 ( 0.888 0.000 1.699) 1.917 19.097 ( -0.157 0.000 -1.824) 1.831 19.322 ( -1.952 0.000 1.124) 2.252 19.401 ( 0.037 0.000 3.955) 3.955 19.415 ( -1.778 0.000 2.690) 3.225 19.473 ( -2.791 0.000 -2.257) 3.589 27.756 ( 0.043 0.000 0.501) 0.502 27.774 ( -0.174 0.000 -0.755) 0.775 27.858 ( -0.760 0.000 0.334) 0.830 27.957 ( 0.696 0.000 0.346) 0.778 28.120 ( -2.072 0.000 1.280) 2.435 28.245 ( -4.420 0.000 -5.641) 7.167 28.357 ( -1.080 0.000 0.359) 1.138 28.432 ( 0.754 0.000 0.044) 0.755 28.455 ( 0.774 0.000 0.993) 1.259 28.625 ( 0.132 0.000 -1.903) 1.908 28.705 ( 0.313 0.000 3.337) 3.351 28.951 ( 0.523 0.000 -2.526) 2.580 29.242 ( -5.199 0.000 1.156) 5.326 29.552 ( -5.498 0.000 -11.376) 12.635 30.068 ( -1.017 0.000 5.548) 5.640 30.280 ( 2.289 0.000 -1.616) 2.802 31.200 ( -0.351 0.000 8.996) 9.003 31.646 ( 4.861 0.000 4.759) 6.803 31.649 ( -2.152 0.000 -3.747) 4.321 32.011 ( 1.601 0.000 9.159) 9.298 32.136 ( -4.553 0.000 -3.067) 5.489 32.662 ( 5.717 0.000 -7.832) 9.697 33.140 ( 50.836 0.000 62.163) 80.303 34.218 ( 9.649 0.000 -11.003) 14.634 35.533 ( -6.115 0.000 2.568) 6.633 35.596 ( -2.124 0.000 -0.864) 2.293 35.974 ( 0.173 0.000 -2.607) 2.612 35.977 ( 4.716 0.000 4.854) 6.768 36.221 ( -1.832 0.000 7.494) 7.715 36.562 ( 2.907 0.000 6.642) 7.250 36.780 ( -30.251 0.000 -37.663) 48.307 37.199 ( 0.220 0.000 -7.861) 7.864 ======================= Grid point 55 (23/64) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -5.516 17.000 18.854) 25.979 0.899 ( 7.521 22.603 21.546) 32.120 1.335 ( 3.538 32.565 32.558) 46.184 1.885 ( 5.616 1.940 -12.509) 13.848 2.030 ( 5.612 10.652 -15.346) 19.505 2.164 ( -0.143 -0.485 0.617) 0.798 2.313 ( 1.255 -3.191 1.761) 3.855 2.464 ( -1.641 3.653 4.600) 6.099 2.535 ( -2.202 3.100 2.310) 4.449 2.600 ( 1.076 -3.096 5.566) 6.459 2.650 ( 2.738 -0.240 -0.340) 2.769 2.768 ( 0.605 -1.492 5.148) 5.394 2.800 ( 0.080 5.419 4.388) 6.974 2.929 ( 0.393 2.374 3.070) 3.901 3.013 ( 5.515 1.961 2.806) 6.491 3.047 ( 4.384 0.701 -1.340) 4.637 3.186 ( -3.250 -1.538 -1.856) 4.046 3.217 ( 0.433 -0.275 0.873) 1.013 3.276 ( -2.377 1.589 2.363) 3.709 3.282 ( -1.669 -0.789 -1.022) 2.110 3.309 ( 0.658 2.363 2.449) 3.467 3.449 ( -3.724 -2.406 0.068) 4.434 3.489 ( -1.813 -1.457 -1.175) 2.606 3.549 ( -3.554 1.924 -3.572) 5.394 3.575 ( -2.137 -3.732 -6.225) 7.566 3.649 ( 1.260 1.532 -0.017) 1.983 3.752 ( 3.225 0.351 -3.216) 4.569 3.781 ( -1.559 1.783 -1.932) 3.057 3.925 ( -2.686 -2.290 -2.612) 4.391 3.949 ( -0.278 -2.979 -1.414) 3.310 3.997 ( -3.040 -4.783 2.602) 6.236 4.164 ( 1.486 -2.874 2.060) 3.836 4.207 ( 1.523 3.089 2.566) 4.294 4.408 ( 0.103 -2.508 -4.895) 5.501 4.439 ( -5.464 -1.454 -4.471) 7.208 4.503 ( -1.357 -4.363 1.437) 4.790 4.562 ( 4.285 6.063 -10.558) 12.907 4.667 ( -2.206 4.458 -0.767) 5.032 4.702 ( -1.308 -0.073 -1.711) 2.155 4.739 ( -2.139 1.602 -2.645) 3.760 4.820 ( -0.824 0.799 -1.969) 2.279 4.885 ( 1.083 4.021 -4.408) 6.064 4.921 ( 2.838 -0.884 0.789) 3.075 4.967 ( -0.659 1.666 -1.438) 2.298 5.021 ( -0.472 -6.350 -3.588) 7.309 5.105 ( -0.248 5.038 0.373) 5.058 5.210 ( -2.928 -1.447 2.164) 3.918 5.243 ( -0.753 -0.649 -0.029) 0.995 5.322 ( 1.273 -4.141 1.155) 4.483 5.442 ( 1.132 0.891 -6.007) 6.178 5.484 ( -0.498 0.759 1.106) 1.431 5.570 ( -1.369 1.454 -2.232) 2.995 5.612 ( -1.303 1.321 6.111) 6.387 5.674 ( 0.087 0.556 1.577) 1.674 5.811 ( 2.708 5.689 4.333) 7.647 5.898 ( -4.059 2.240 -3.588) 5.862 6.045 ( -0.165 0.189 0.397) 0.469 6.060 ( -0.810 -2.986 6.218) 6.945 6.186 ( 1.262 2.402 1.376) 3.042 6.265 ( -0.688 -4.066 0.225) 4.129 6.420 ( -8.841 -0.200 -6.219) 10.811 6.509 ( -3.419 1.191 -1.121) 3.790 6.763 ( 3.207 -2.625 3.212) 5.243 6.779 ( 1.757 -1.931 9.036) 9.405 6.853 ( 10.663 -4.643 7.794) 14.000 7.028 ( 0.768 3.589 -3.501) 5.072 7.322 ( -0.445 4.358 4.235) 6.093 7.483 ( 10.614 -2.494 -2.888) 11.279 7.669 ( -0.581 1.685 -3.298) 3.749 7.839 ( 2.518 1.447 -3.398) 4.470 8.031 ( -0.820 -0.383 5.412) 5.487 8.158 ( -3.562 -7.915 4.291) 9.682 11.948 ( -0.137 2.374 0.306) 2.398 12.024 ( -0.381 0.111 -0.433) 0.587 12.287 ( 0.130 -0.507 0.876) 1.021 12.317 ( -0.507 -2.653 0.480) 2.743 12.384 ( 0.662 -0.009 0.065) 0.666 12.461 ( -0.719 -1.793 -1.140) 2.243 12.687 ( 0.556 0.052 0.729) 0.918 12.693 ( -0.237 0.744 0.277) 0.829 13.879 ( 1.106 -2.416 4.842) 5.523 13.931 ( -0.478 -0.644 1.173) 1.421 13.991 ( -0.608 1.491 1.076) 1.936 14.110 ( 0.340 -0.123 0.960) 1.026 14.225 ( 0.587 -1.454 -1.378) 2.088 14.278 ( -0.475 -0.066 -4.807) 4.831 14.417 ( -0.547 -1.832 1.454) 2.402 14.466 ( -0.635 0.015 -0.644) 0.905 16.648 ( -1.042 -0.582 -0.112) 1.199 16.674 ( 1.309 0.740 -1.875) 2.403 16.734 ( 1.348 1.493 -0.519) 2.078 16.773 ( -3.291 1.245 -0.193) 3.524 16.976 ( 0.009 1.466 0.714) 1.631 17.034 ( -0.755 0.960 -0.541) 1.336 17.165 ( -1.096 0.402 -0.355) 1.220 17.174 ( 1.573 0.620 -0.265) 1.711 17.391 ( -0.331 2.116 -0.518) 2.203 17.468 ( -1.211 -0.530 -1.166) 1.762 17.576 ( -0.602 0.229 2.066) 2.164 17.637 ( -0.399 -0.436 0.043) 0.593 17.706 ( -1.439 -1.216 -0.982) 2.125 17.740 ( 0.982 -0.349 -0.501) 1.157 17.762 ( -0.495 -1.053 0.467) 1.253 17.788 ( 1.068 -0.265 -0.003) 1.100 18.983 ( 1.675 -4.705 3.014) 5.834 19.051 ( 2.235 0.059 -0.836) 2.386 19.094 ( 3.035 -2.296 1.411) 4.059 19.112 ( 6.620 -4.691 5.770) 9.956 19.285 ( -0.780 -0.409 0.558) 1.043 19.361 ( -2.380 -1.216 1.174) 2.919 19.377 ( -0.370 -0.314 0.141) 0.505 19.443 ( 1.550 -0.761 -0.302) 1.753 27.760 ( -0.152 0.682 0.557) 0.893 27.834 ( -0.826 0.140 -0.513) 0.982 27.926 ( 0.053 -2.132 -0.759) 2.264 27.974 ( 1.103 -1.786 -2.112) 2.978 28.151 ( 0.855 2.049 0.010) 2.220 28.247 ( -0.763 1.895 -3.963) 4.458 28.436 ( 0.458 5.742 0.064) 5.760 28.470 ( 0.171 0.305 1.088) 1.143 28.594 ( -0.651 -0.777 -2.739) 2.921 28.677 ( -1.102 11.687 -11.685) 16.563 28.767 ( 2.311 7.587 -2.904) 8.446 28.939 ( 0.280 -1.410 -2.063) 2.515 29.388 ( -3.636 17.464 -16.615) 24.378 29.555 ( 7.965 4.353 -11.490) 14.642 30.068 ( 1.670 1.025 4.672) 5.066 30.306 ( 0.102 0.528 -2.828) 2.879 31.220 ( 0.555 0.977 8.589) 8.662 31.595 ( -0.689 -3.651 7.435) 8.312 31.689 ( -0.496 0.728 -2.911) 3.041 31.997 ( -0.962 -1.771 1.941) 2.798 32.084 ( -2.740 1.335 2.227) 3.774 32.740 ( -5.275 -0.127 -4.257) 6.779 33.335 ( -4.270 -36.176 48.015) 60.270 34.415 ( -0.030 -8.069 -9.194) 12.233 35.513 ( 4.484 1.545 -2.912) 5.565 35.599 ( -9.326 2.882 -5.127) 11.026 35.741 ( -6.265 -1.424 5.310) 8.335 36.000 ( 2.242 1.149 -1.669) 3.022 36.175 ( 16.762 -1.843 7.037) 18.272 36.251 ( -3.232 2.259 5.327) 6.628 36.657 ( 0.489 -0.921 0.175) 1.057 37.145 ( 0.269 -5.195 -7.099) 8.800 ======================= Grid point 56 (24/64) ======================= q-point: ( 0.17 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 3.189 14.195 9.188) 17.207 1.099 ( 10.373 26.162 14.058) 31.459 1.505 ( 8.352 22.024 34.720) 41.955 1.904 ( 1.271 2.931 -12.250) 12.660 2.130 ( 2.530 6.503 -10.858) 12.906 2.187 ( -0.297 0.891 -5.209) 5.293 2.340 ( 0.459 -3.586 2.913) 4.643 2.400 ( -4.115 3.522 2.985) 6.184 2.480 ( -3.451 7.449 1.798) 8.404 2.590 ( -2.152 0.355 5.323) 5.752 2.667 ( -1.755 -0.035 -3.968) 4.339 2.778 ( 0.769 -2.521 6.527) 7.039 2.795 ( 0.346 5.407 4.634) 7.129 2.952 ( -0.865 1.527 4.932) 5.235 3.033 ( -2.713 0.846 2.840) 4.018 3.042 ( -2.631 0.556 1.027) 2.879 3.115 ( -7.083 -0.779 -3.342) 7.870 3.234 ( 4.248 -1.456 3.580) 5.743 3.250 ( 2.331 -0.422 -0.622) 2.449 3.309 ( 0.320 -1.061 -0.328) 1.156 3.363 ( 2.080 -0.360 -6.451) 6.788 3.425 ( 0.485 1.316 -0.837) 1.633 3.469 ( 3.245 -1.732 -0.638) 3.733 3.570 ( 3.224 -1.405 0.479) 3.549 3.592 ( 6.835 1.021 -1.042) 6.989 3.698 ( -4.436 -0.108 -2.705) 5.197 3.709 ( 3.978 1.745 1.205) 4.508 3.794 ( 0.202 -1.172 -3.639) 3.828 3.884 ( -0.300 -0.742 -1.596) 1.785 3.949 ( -1.515 -2.067 -2.136) 3.336 3.974 ( 0.063 -5.250 1.430) 5.442 4.173 ( -0.357 -2.610 0.665) 2.717 4.192 ( -2.370 1.265 2.539) 3.696 4.304 ( -6.329 -1.547 -2.231) 6.886 4.408 ( -0.674 0.540 -5.302) 5.372 4.493 ( -0.291 -3.987 0.066) 3.998 4.605 ( -0.367 5.098 -4.075) 6.537 4.627 ( 0.427 2.484 -4.184) 4.884 4.679 ( -1.800 -1.501 -1.435) 2.748 4.685 ( -1.698 1.811 -3.962) 4.676 4.776 ( -3.040 2.997 -3.677) 5.634 4.895 ( -0.399 3.467 -2.369) 4.218 4.953 ( -0.538 -0.133 0.039) 0.556 4.969 ( 1.069 0.983 -2.909) 3.251 5.038 ( 2.143 -1.253 2.021) 3.201 5.101 ( 0.580 -1.194 -1.249) 1.822 5.173 ( -1.183 -0.808 3.732) 3.997 5.241 ( 0.062 -1.428 0.124) 1.434 5.346 ( 1.012 -3.244 0.232) 3.406 5.445 ( -0.379 -1.260 -1.657) 2.116 5.515 ( 2.451 1.455 -2.050) 3.510 5.530 ( -0.492 0.387 2.065) 2.158 5.611 ( 0.344 3.677 5.260) 6.427 5.705 ( 1.771 -0.597 3.072) 3.596 5.812 ( -3.401 3.214 2.220) 5.179 5.868 ( 2.104 6.863 4.185) 8.309 6.042 ( -0.653 -1.704 4.600) 4.949 6.074 ( 1.972 0.015 1.228) 2.323 6.193 ( -1.625 0.159 -1.762) 2.402 6.221 ( -1.702 1.574 1.896) 2.995 6.339 ( 1.280 -2.853 3.591) 4.762 6.481 ( -0.533 0.112 -5.048) 5.077 6.746 ( -1.966 2.444 2.477) 3.997 6.789 ( 0.039 -0.548 1.827) 1.908 7.001 ( 2.205 -1.322 -2.493) 3.581 7.062 ( 3.162 -1.805 0.232) 3.648 7.319 ( -0.203 5.005 4.420) 6.680 7.549 ( -4.324 -5.850 -1.134) 7.363 7.702 ( 2.887 -1.262 -5.379) 6.234 7.874 ( 0.433 -1.719 -3.914) 4.296 7.962 ( -7.404 1.025 7.869) 10.853 8.036 ( -3.788 0.916 1.092) 4.047 11.910 ( -3.069 2.164 0.221) 3.762 11.977 ( -3.813 1.262 -0.045) 4.017 12.290 ( 0.040 -2.297 0.881) 2.460 12.310 ( -0.465 -1.375 1.008) 1.767 12.409 ( -0.104 -0.892 -0.657) 1.113 12.425 ( -0.378 -0.818 -0.896) 1.271 12.696 ( 1.465 0.438 0.610) 1.646 12.742 ( 3.188 0.696 0.358) 3.283 13.883 ( -0.828 -1.856 4.957) 5.357 13.922 ( -0.490 -0.162 1.168) 1.277 13.989 ( 0.150 1.378 1.671) 2.171 14.102 ( -1.205 0.017 0.937) 1.527 14.233 ( 0.317 -1.358 -1.911) 2.365 14.266 ( -0.206 -0.040 -5.064) 5.068 14.413 ( 0.088 -1.934 1.587) 2.503 14.460 ( 0.086 0.041 -0.486) 0.495 16.611 ( -2.058 -0.262 -0.961) 2.287 16.641 ( -4.126 2.423 -1.118) 4.914 16.679 ( -2.162 -0.458 -0.247) 2.223 16.752 ( -2.785 0.654 -0.637) 2.931 16.966 ( -0.347 2.009 0.968) 2.257 17.039 ( 1.333 0.935 -0.686) 1.766 17.200 ( 3.686 -0.266 -0.413) 3.719 17.238 ( 3.723 1.404 -0.093) 3.980 17.376 ( -0.273 1.258 0.172) 1.299 17.465 ( 0.480 0.113 -0.429) 0.654 17.575 ( 0.381 0.040 1.607) 1.652 17.631 ( -0.214 -1.146 0.536) 1.283 17.675 ( -1.424 -0.919 -0.638) 1.811 17.749 ( 0.249 -0.592 0.188) 0.669 17.766 ( 0.312 0.707 -1.699) 1.867 17.804 ( 0.751 0.159 0.502) 0.917 18.968 ( -1.534 -2.564 0.155) 2.992 19.093 ( -2.582 -2.640 -1.285) 3.909 19.114 ( 0.571 -0.519 -0.466) 0.902 19.137 ( 1.288 -1.817 1.198) 2.529 19.273 ( -2.180 -2.232 0.028) 3.120 19.319 ( -1.552 -1.531 1.374) 2.577 19.460 ( 4.891 -3.667 4.434) 7.551 19.508 ( 4.219 -0.275 -0.395) 4.246 27.756 ( -0.278 0.737 0.556) 0.964 27.825 ( 0.151 0.672 -0.599) 0.912 27.913 ( -0.556 -1.264 -1.268) 1.875 27.997 ( -0.073 -1.460 -1.006) 1.775 28.118 ( -1.556 1.918 -0.061) 2.471 28.270 ( 1.322 -1.071 -2.475) 3.003 28.441 ( 0.008 4.040 0.466) 4.067 28.466 ( -0.604 3.412 0.375) 3.485 28.532 ( -4.155 1.041 -1.884) 4.679 28.665 ( 0.613 6.610 -6.376) 9.204 28.788 ( 0.085 8.362 -2.832) 8.829 28.936 ( -0.469 -1.097 -1.566) 1.969 29.331 ( 0.888 7.745 -2.709) 8.253 29.683 ( 4.102 2.823 -16.811) 17.533 30.132 ( 3.601 2.427 -0.980) 4.451 30.286 ( -1.912 1.232 -2.589) 3.446 31.247 ( 1.509 0.715 8.859) 9.015 31.506 ( -9.877 -3.185 22.372) 24.661 31.706 ( 3.161 1.675 -2.498) 4.363 31.978 ( -1.534 0.218 4.688) 4.937 32.044 ( 0.068 -0.785 -3.868) 3.947 32.546 ( -11.993 -7.896 15.066) 20.813 32.966 ( -19.242 6.904 21.311) 29.531 34.312 ( -6.582 -7.851 -6.266) 12.009 35.475 ( 3.022 0.925 0.727) 3.243 35.641 ( 3.104 1.134 -1.030) 3.461 35.780 ( 2.055 -1.765 -0.354) 2.732 36.025 ( -0.287 -0.828 1.854) 2.051 36.174 ( -1.638 5.887 -0.557) 6.136 36.509 ( 2.706 -5.895 7.829) 10.167 36.823 ( 17.636 -13.360 -11.316) 24.851 37.142 ( 0.081 -5.478 -7.513) 9.298 ======================= Grid point 57 (25/64) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 9.740 2.472 -3.307) 10.578 1.274 ( 5.331 25.612 9.062) 27.685 1.619 ( -0.630 16.577 23.150) 28.480 1.935 ( -1.291 1.973 -14.046) 14.242 2.029 ( -5.166 6.865 -17.582) 19.569 2.193 ( 0.982 2.078 1.463) 2.724 2.311 ( -4.417 1.560 0.753) 4.745 2.341 ( -2.457 5.692 2.088) 6.542 2.426 ( 0.496 2.339 2.397) 3.386 2.571 ( 0.240 3.844 4.025) 5.571 2.602 ( -3.155 1.271 -4.306) 5.488 2.722 ( -6.179 5.726 -3.344) 9.064 2.848 ( 1.697 -1.996 10.509) 10.830 2.874 ( -5.062 0.178 4.861) 7.020 2.973 ( -5.514 -0.257 -4.403) 7.061 2.995 ( 1.666 -1.364 2.956) 3.657 3.108 ( 2.955 -0.469 2.757) 4.068 3.244 ( -4.650 -1.944 1.478) 5.252 3.278 ( 1.761 -0.347 -2.148) 2.799 3.317 ( 3.959 -0.642 1.501) 4.282 3.365 ( -0.643 -0.308 -0.526) 0.886 3.490 ( 3.730 -2.166 -3.048) 5.282 3.563 ( 3.652 -0.526 -3.370) 4.997 3.621 ( 1.560 -2.129 -4.730) 5.416 3.644 ( 1.780 -1.684 -0.569) 2.515 3.720 ( -4.935 0.520 -7.645) 9.114 3.757 ( 4.637 -0.233 1.364) 4.839 3.851 ( 9.757 1.944 8.794) 13.278 3.876 ( -4.163 -3.020 -2.308) 5.637 3.919 ( 3.252 -0.995 1.321) 3.649 3.983 ( -0.161 -0.582 3.083) 3.142 4.119 ( -4.664 -1.308 -0.842) 4.917 4.161 ( -0.787 -0.767 1.285) 1.691 4.255 ( 1.294 -1.651 2.357) 3.155 4.363 ( -3.126 3.687 -1.148) 4.969 4.496 ( 1.121 -2.309 0.565) 2.628 4.587 ( -1.788 -0.249 0.379) 1.845 4.608 ( -2.195 3.652 -3.406) 5.456 4.655 ( 0.067 1.235 -4.401) 4.572 4.688 ( 1.997 -0.149 3.160) 3.741 4.717 ( -2.729 2.608 -5.280) 6.491 4.869 ( -0.854 0.876 1.982) 2.329 4.928 ( -2.138 0.823 -0.016) 2.291 4.994 ( 1.731 -0.507 -1.760) 2.520 5.086 ( 2.675 4.350 -0.978) 5.199 5.120 ( 1.017 -7.511 -1.400) 7.708 5.169 ( 0.295 0.599 3.813) 3.871 5.242 ( 0.288 -2.650 1.384) 3.004 5.366 ( 1.069 -2.839 -0.810) 3.140 5.455 ( 1.416 -0.199 -1.070) 1.786 5.507 ( -0.735 1.576 0.033) 1.739 5.589 ( 2.688 -0.990 2.909) 4.082 5.615 ( -0.205 3.934 5.177) 6.505 5.726 ( 0.001 -0.529 5.045) 5.073 5.789 ( 0.680 2.769 2.653) 3.895 5.896 ( 0.092 6.673 5.715) 8.786 6.034 ( -0.528 -1.610 3.425) 3.822 6.114 ( 1.666 1.075 0.739) 2.116 6.173 ( -0.123 -0.555 -3.567) 3.612 6.214 ( 0.208 3.128 2.834) 4.226 6.376 ( 1.548 -5.641 0.331) 5.859 6.469 ( -0.532 -0.410 -4.498) 4.548 6.717 ( -0.705 3.073 -1.327) 3.421 6.790 ( -0.189 0.123 1.194) 1.215 7.012 ( 0.111 1.143 -6.226) 6.331 7.107 ( 0.978 -2.296 -1.158) 2.751 7.320 ( -0.517 5.692 4.257) 7.126 7.399 ( -8.734 0.494 -2.070) 8.989 7.703 ( -1.421 1.593 -1.630) 2.686 7.823 ( -2.671 0.415 -3.728) 4.605 7.909 ( -0.499 -2.092 4.092) 4.623 8.010 ( 0.244 -1.422 -2.179) 2.614 11.856 ( -2.127 2.145 0.256) 3.032 11.904 ( -3.178 1.356 -0.186) 3.460 12.264 ( -1.803 -2.290 1.113) 3.120 12.317 ( 0.120 -2.003 0.403) 2.047 12.374 ( -0.838 -0.404 -0.335) 0.989 12.461 ( 1.793 -1.171 -1.097) 2.406 12.731 ( 1.680 0.778 1.152) 2.181 12.794 ( 1.917 0.694 0.020) 2.039 13.865 ( -1.210 -0.737 3.910) 4.159 13.918 ( 0.045 0.152 0.745) 0.762 13.997 ( 0.472 1.289 2.517) 2.867 14.072 ( -1.651 0.632 0.703) 1.903 14.231 ( -0.264 -1.354 -3.068) 3.364 14.265 ( 0.483 0.051 -4.285) 4.312 14.421 ( 0.536 -2.084 2.107) 3.012 14.467 ( 0.598 -0.167 0.135) 0.635 16.551 ( -2.826 0.919 -0.069) 2.973 16.617 ( 0.267 -1.627 -2.561) 3.045 16.621 ( -2.726 0.131 -0.457) 2.767 16.684 ( -3.488 0.598 -0.181) 3.543 16.972 ( 0.681 1.454 1.007) 1.896 17.066 ( 0.999 1.132 -0.551) 1.607 17.263 ( 2.271 0.449 -0.416) 2.352 17.288 ( 1.460 1.420 -0.090) 2.038 17.395 ( 1.814 -0.159 0.223) 1.835 17.470 ( 0.068 0.289 -0.456) 0.544 17.590 ( 0.878 -0.336 1.362) 1.655 17.626 ( -0.485 -1.534 0.660) 1.739 17.661 ( 0.140 -1.023 0.230) 1.058 17.749 ( -0.527 1.992 -1.433) 2.510 17.762 ( -0.233 -1.671 -0.255) 1.706 17.816 ( 0.345 0.820 -0.431) 0.989 18.946 ( -0.547 -1.826 -0.135) 1.911 19.010 ( -3.926 -1.329 -2.603) 4.895 19.091 ( -2.409 -0.307 -3.888) 4.584 19.183 ( 0.793 -2.437 -1.610) 3.027 19.243 ( 0.348 -0.565 2.187) 2.285 19.320 ( 1.164 -1.859 4.524) 5.027 19.508 ( 0.311 0.404 4.086) 4.117 19.572 ( 2.191 -0.009 -0.738) 2.312 27.752 ( -0.181 0.593 0.622) 0.878 27.842 ( 1.596 1.184 -0.576) 2.069 27.902 ( -0.802 -0.292 -1.612) 1.824 27.964 ( -2.177 0.699 -0.362) 2.315 28.126 ( 1.498 -0.565 0.867) 1.821 28.269 ( -0.921 -3.052 -1.322) 3.452 28.431 ( -1.083 2.452 -0.316) 2.699 28.451 ( -0.589 4.515 0.677) 4.603 28.480 ( -1.120 1.461 0.927) 2.061 28.675 ( 0.694 5.133 -5.740) 7.731 28.780 ( -0.541 7.898 -0.385) 7.926 28.925 ( -0.326 -1.327 -0.978) 1.681 29.395 ( 4.214 2.460 0.462) 4.901 29.712 ( 0.979 0.814 -12.159) 12.226 30.168 ( 0.097 1.924 -0.675) 2.042 30.236 ( -2.624 2.041 -1.838) 3.799 31.285 ( 0.441 0.921 11.740) 11.784 31.355 ( -4.974 -1.293 22.091) 22.681 31.775 ( 3.164 1.314 -1.443) 3.717 31.958 ( -0.646 0.507 4.871) 4.940 32.084 ( 3.881 -1.576 -6.404) 7.653 32.412 ( -3.526 -4.495 17.434) 18.346 32.727 ( -8.326 13.059 2.586) 15.702 34.147 ( -8.739 -7.199 -10.975) 15.769 35.599 ( 8.134 -1.315 2.071) 8.495 35.703 ( 3.115 0.346 -0.747) 3.222 35.783 ( -0.995 -0.117 0.431) 1.091 35.968 ( -5.270 -1.253 2.899) 6.144 36.202 ( 3.857 4.699 1.102) 6.178 36.481 ( -3.589 -2.601 8.135) 9.264 37.054 ( 6.975 -11.886 -11.921) 18.221 37.134 ( -0.421 -6.671 -8.962) 11.180 ======================= Grid point 58 (26/64) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.186 -1.677 -9.368) 9.518 1.271 ( -6.898 20.410 7.267) 22.737 1.543 ( -5.729 18.168 11.950) 22.488 1.736 ( -9.916 6.917 -22.707) 25.725 2.091 ( 5.137 4.798 -9.024) 11.439 2.175 ( -2.069 7.300 0.291) 7.593 2.252 ( 0.598 2.536 0.519) 2.657 2.341 ( 0.688 1.001 0.131) 1.222 2.465 ( 1.659 5.816 0.584) 6.076 2.571 ( -0.145 0.548 9.258) 9.275 2.586 ( 1.013 3.157 -6.311) 7.129 2.632 ( -1.385 1.293 -1.251) 2.271 2.793 ( -2.508 -0.029 2.486) 3.532 2.860 ( -4.024 5.101 -0.892) 6.558 2.892 ( 1.414 -2.198 6.910) 7.388 3.029 ( -0.450 -5.483 1.362) 5.667 3.160 ( 2.933 -1.537 3.959) 5.161 3.173 ( -2.214 -2.985 2.384) 4.415 3.310 ( -0.658 -1.581 -0.746) 1.868 3.349 ( 1.055 1.658 -0.583) 2.050 3.367 ( -0.970 1.115 -3.293) 3.610 3.528 ( 0.444 -1.231 -3.921) 4.133 3.541 ( -5.509 0.790 -8.696) 10.324 3.594 ( 0.628 0.862 -3.792) 3.939 3.689 ( 1.280 -5.189 0.650) 5.384 3.728 ( 5.367 -0.410 -2.766) 6.051 3.797 ( -1.204 -1.889 -0.036) 2.240 3.869 ( 3.899 -2.999 1.556) 5.159 3.921 ( -0.708 0.528 4.582) 4.666 3.937 ( -2.867 0.818 2.182) 3.695 4.039 ( -0.653 1.391 2.793) 3.188 4.090 ( 6.048 0.067 3.402) 6.939 4.183 ( 2.290 -1.383 4.230) 5.005 4.285 ( 0.823 -0.624 3.680) 3.822 4.335 ( 0.828 2.212 -0.179) 2.368 4.513 ( 0.083 -2.549 0.407) 2.583 4.563 ( -2.116 2.103 0.690) 3.062 4.585 ( 1.490 2.481 -0.087) 2.895 4.646 ( 0.170 2.306 -2.192) 3.186 4.670 ( -0.237 -0.128 -2.871) 2.883 4.758 ( 3.563 0.267 5.294) 6.387 4.875 ( 0.714 0.329 -0.312) 0.845 4.884 ( -1.726 -0.241 -1.524) 2.315 5.026 ( 0.975 0.239 1.290) 1.635 5.127 ( 1.253 4.307 -5.698) 7.252 5.135 ( 0.156 -6.033 1.431) 6.203 5.188 ( 1.781 0.247 2.985) 3.485 5.258 ( 1.245 -3.283 2.596) 4.366 5.374 ( -0.643 -4.001 0.498) 4.083 5.469 ( -0.401 -1.975 0.127) 2.019 5.505 ( 1.005 5.640 -3.543) 6.736 5.591 ( -1.006 3.444 0.573) 3.633 5.646 ( 1.390 -2.268 9.490) 9.855 5.717 ( -1.050 -0.579 5.502) 5.631 5.825 ( 1.949 2.309 4.849) 5.714 5.874 ( -2.563 5.490 5.488) 8.175 6.027 ( -0.332 -1.050 2.793) 3.002 6.115 ( -1.716 0.886 -1.772) 2.621 6.167 ( -0.209 -1.347 -1.838) 2.288 6.232 ( 0.459 2.210 1.249) 2.580 6.389 ( -0.425 -3.648 0.805) 3.760 6.462 ( 1.030 -0.305 -4.156) 4.292 6.718 ( 0.796 3.451 -4.163) 5.465 6.783 ( -0.560 0.020 2.037) 2.113 6.995 ( -1.710 -0.635 -9.043) 9.225 7.076 ( -3.665 -0.464 -6.250) 7.260 7.256 ( -2.395 8.176 -0.263) 8.523 7.342 ( 0.041 2.640 2.785) 3.838 7.683 ( -0.334 2.210 -0.628) 2.321 7.780 ( -1.500 0.068 -3.031) 3.383 7.921 ( 1.507 -1.324 2.630) 3.308 8.024 ( 1.209 -3.982 -2.643) 4.930 11.836 ( 0.058 2.270 0.325) 2.294 11.872 ( 0.214 1.110 -0.283) 1.165 12.243 ( -0.340 -2.088 1.013) 2.346 12.315 ( 0.161 -2.317 -0.338) 2.347 12.374 ( 0.295 -0.028 0.761) 0.816 12.477 ( -0.102 -1.504 -1.486) 2.117 12.751 ( 0.111 0.467 1.597) 1.667 12.811 ( -0.191 0.947 -0.313) 1.015 13.846 ( -0.967 -0.093 2.781) 2.946 13.924 ( 0.380 -0.276 1.015) 1.118 14.007 ( 0.316 1.130 2.450) 2.716 14.053 ( -0.245 1.229 0.743) 1.457 14.222 ( -0.358 -1.302 -3.311) 3.576 14.276 ( 0.852 0.052 -3.580) 3.681 14.432 ( 0.333 -2.174 2.370) 3.233 14.479 ( 0.466 -0.217 0.512) 0.726 16.517 ( -0.574 0.405 -0.221) 0.736 16.584 ( -0.518 0.297 -2.075) 2.159 16.633 ( 0.103 0.358 -0.002) 0.372 16.646 ( 1.178 -1.776 -1.002) 2.355 16.985 ( 0.350 0.833 1.387) 1.655 17.073 ( -0.096 1.488 -0.720) 1.656 17.282 ( -0.049 1.433 0.004) 1.434 17.302 ( -0.189 0.309 -0.643) 0.738 17.423 ( 0.669 -0.271 0.418) 0.834 17.469 ( -0.012 -0.021 -0.729) 0.729 17.605 ( 0.555 -0.499 0.885) 1.158 17.619 ( -0.171 -1.347 1.829) 2.278 17.671 ( 0.512 -0.902 0.594) 1.195 17.735 ( -0.374 2.546 -2.072) 3.304 17.754 ( -0.664 -1.929 0.128) 2.045 17.815 ( -0.330 0.672 -1.375) 1.566 18.946 ( -1.405 -1.570 -1.863) 2.813 18.948 ( -0.525 -0.980 -1.298) 1.709 19.044 ( -1.676 0.505 -4.084) 4.443 19.149 ( -2.377 -1.680 -4.880) 5.683 19.298 ( 3.348 -1.090 5.458) 6.495 19.343 ( 0.315 -3.118 5.073) 5.963 19.497 ( -1.470 3.121 2.853) 4.477 19.586 ( -0.760 0.249 -1.473) 1.676 27.752 ( 0.136 0.462 0.783) 0.919 27.867 ( -0.758 3.755 -2.352) 4.495 27.889 ( 1.392 -1.622 0.425) 2.179 27.934 ( -0.980 0.122 -0.654) 1.184 28.149 ( 0.296 0.141 1.576) 1.609 28.256 ( 0.294 -4.163 -1.030) 4.299 28.418 ( -0.128 2.164 0.568) 2.241 28.447 ( 0.191 2.567 -0.168) 2.580 28.466 ( -0.790 3.549 0.916) 3.750 28.680 ( 0.383 5.254 -6.171) 8.113 28.771 ( -0.381 6.803 1.184) 6.916 28.923 ( 0.095 -1.255 -1.096) 1.669 29.441 ( -0.317 1.196 0.537) 1.349 29.715 ( 0.354 0.852 -10.899) 10.938 30.141 ( -2.676 1.583 1.977) 3.684 30.207 ( 0.338 1.948 -1.695) 2.604 31.248 ( -2.872 0.896 15.477) 15.766 31.387 ( 3.934 -1.117 13.098) 13.721 31.794 ( -1.243 1.535 -2.671) 3.323 31.958 ( 0.118 0.412 5.601) 5.617 32.167 ( 4.319 -1.702 -2.599) 5.320 32.405 ( 0.939 -3.364 17.491) 17.836 32.634 ( -1.141 12.009 -1.171) 12.120 34.012 ( -2.991 -5.722 -15.446) 16.741 35.689 ( -3.746 -1.714 -0.150) 4.122 35.756 ( 6.381 -1.654 0.854) 6.647 35.804 ( 1.573 0.935 0.813) 2.003 35.872 ( -2.505 0.900 3.066) 4.060 36.278 ( 2.285 2.493 5.250) 6.245 36.423 ( -1.998 -2.684 7.431) 8.150 37.098 ( -2.475 -7.295 -11.102) 13.513 37.124 ( 1.734 -8.975 -10.340) 13.802 ======================= Grid point 59 (27/64) ======================= q-point: (-0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -8.606 7.322 -1.307) 11.375 1.067 ( -12.372 17.048 8.031) 22.544 1.471 ( -3.678 22.262 13.752) 26.424 1.605 ( -1.170 8.667 -21.915) 23.595 2.108 ( -3.398 3.368 -3.265) 5.792 2.184 ( 3.286 9.246 -3.629) 10.463 2.285 ( 1.687 4.929 0.448) 5.229 2.371 ( 2.904 -3.726 0.968) 4.822 2.471 ( -1.110 8.024 2.483) 8.473 2.577 ( 0.484 -3.956 1.527) 4.268 2.606 ( -0.465 -4.235 -3.282) 5.378 2.646 ( 3.713 3.704 -0.360) 5.257 2.789 ( 1.557 0.970 3.339) 3.810 2.826 ( 0.992 7.245 2.165) 7.626 2.978 ( 6.074 -1.761 0.773) 6.372 2.997 ( -0.776 -4.102 0.441) 4.198 3.101 ( -7.382 -1.583 -2.471) 7.944 3.217 ( 1.446 -1.187 1.887) 2.657 3.250 ( -0.672 -0.928 2.686) 2.920 3.326 ( -0.491 2.899 -2.693) 3.987 3.420 ( 2.602 1.102 -2.686) 3.899 3.479 ( -0.449 -1.750 -0.169) 1.814 3.543 ( 1.734 0.825 -1.859) 2.673 3.594 ( -0.416 -0.700 -4.730) 4.800 3.677 ( -2.742 -6.073 1.507) 6.832 3.756 ( -2.036 -2.384 1.100) 3.323 3.786 ( -2.685 1.236 4.069) 5.029 3.855 ( -1.936 -2.710 0.383) 3.352 3.910 ( -0.523 -0.004 2.386) 2.442 3.982 ( 4.341 -2.473 -2.602) 5.633 4.045 ( 2.469 2.357 -0.418) 3.439 4.141 ( -1.187 -0.377 2.786) 3.052 4.196 ( -2.961 -3.504 2.676) 5.311 4.335 ( 5.347 2.823 4.561) 7.574 4.388 ( 3.730 3.800 -5.120) 7.387 4.478 ( -2.099 -1.305 0.372) 2.500 4.553 ( 0.602 0.850 -0.247) 1.071 4.629 ( 3.562 1.389 0.715) 3.890 4.673 ( 1.107 0.473 -2.862) 3.105 4.716 ( 4.211 -0.804 -1.257) 4.468 4.814 ( 1.459 0.330 8.634) 8.763 4.867 ( 0.142 -0.142 -1.489) 1.503 4.884 ( 0.115 -0.900 -2.582) 2.737 5.025 ( -1.026 1.318 1.246) 2.084 5.101 ( -2.241 -4.097 -5.515) 7.226 5.134 ( -0.997 3.824 -0.895) 4.052 5.229 ( 1.921 -0.349 1.846) 2.687 5.295 ( 1.546 -2.483 1.562) 3.316 5.341 ( -2.535 -4.299 2.071) 5.403 5.459 ( -0.442 0.846 -3.429) 3.559 5.522 ( 1.132 3.320 -2.557) 4.341 5.568 ( -1.822 3.455 0.150) 3.909 5.661 ( -0.946 -0.301 6.670) 6.743 5.726 ( 1.596 -3.344 7.448) 8.319 5.782 ( -4.234 4.088 3.462) 6.828 5.910 ( 5.503 2.579 12.183) 13.614 6.029 ( 0.347 0.572 2.825) 2.903 6.064 ( -3.020 -0.163 -0.431) 3.055 6.156 ( -0.471 -0.634 -1.618) 1.800 6.212 ( -1.944 1.016 0.066) 2.195 6.354 ( -2.882 -0.683 2.290) 3.744 6.512 ( 3.065 -0.368 -2.824) 4.184 6.740 ( 1.955 3.325 0.394) 3.877 6.776 ( -0.324 -0.087 1.929) 1.958 6.903 ( -6.495 -2.722 -13.799) 15.492 7.026 ( -0.771 3.030 -5.825) 6.611 7.252 ( 1.368 8.522 -1.104) 8.701 7.342 ( -0.449 2.146 3.326) 3.983 7.684 ( 0.210 1.409 -0.728) 1.600 7.768 ( 0.640 1.185 -3.324) 3.586 7.965 ( 2.581 -0.730 2.821) 3.893 8.058 ( 2.677 -5.866 -1.448) 6.609 11.859 ( 2.242 1.801 0.410) 2.905 11.911 ( 3.496 1.462 -0.296) 3.801 12.254 ( 1.337 -2.336 0.730) 2.789 12.320 ( -0.114 -1.423 0.581) 1.541 12.389 ( 1.626 -0.769 0.189) 1.809 12.455 ( -1.983 -1.139 -1.425) 2.694 12.736 ( -1.723 -0.180 1.419) 2.239 12.787 ( -2.136 1.317 -0.213) 2.519 13.837 ( -0.138 0.087 2.602) 2.607 13.930 ( 0.216 -0.659 1.570) 1.716 14.013 ( -0.045 1.252 2.084) 2.431 14.064 ( 1.214 0.876 0.455) 1.565 14.215 ( -0.065 -1.268 -2.815) 3.088 14.288 ( 0.556 -0.062 -3.373) 3.420 14.435 ( -0.237 -2.130 2.183) 3.059 14.484 ( 0.001 -0.096 0.381) 0.393 16.533 ( 2.380 1.032 -0.677) 2.681 16.589 ( 1.163 0.422 -2.017) 2.367 16.661 ( 2.530 0.287 -0.384) 2.575 16.695 ( 3.622 -2.642 -0.290) 4.492 16.984 ( -0.449 0.548 1.614) 1.763 17.067 ( -0.391 2.228 -0.731) 2.378 17.264 ( -2.107 0.946 -0.389) 2.342 17.277 ( -2.069 0.798 -0.439) 2.261 17.414 ( -1.431 -0.609 0.937) 1.816 17.477 ( 0.907 -0.126 -1.344) 1.627 17.605 ( -0.580 -0.951 0.995) 1.493 17.631 ( 1.035 -0.664 2.361) 2.662 17.680 ( 0.662 0.196 0.964) 1.185 17.725 ( -0.749 -0.679 -1.283) 1.634 17.751 ( 0.614 0.129 -0.670) 0.918 17.801 ( -1.040 0.231 -1.501) 1.841 18.901 ( -1.970 -0.152 -2.304) 3.035 18.964 ( 1.113 -1.504 -1.016) 2.129 19.030 ( 0.375 0.623 -1.409) 1.586 19.106 ( -1.583 -1.197 -4.296) 4.732 19.330 ( -1.196 -2.761 3.088) 4.311 19.362 ( 2.058 -1.445 5.399) 5.955 19.463 ( -2.271 2.359 2.370) 4.043 19.544 ( -3.221 0.432 -1.971) 3.801 27.757 ( 0.238 0.506 0.861) 1.027 27.847 ( -0.463 0.645 -0.247) 0.831 27.905 ( -0.522 1.742 -2.690) 3.247 27.941 ( 2.084 0.562 -0.200) 2.168 28.134 ( -1.614 -0.916 1.178) 2.198 28.280 ( 1.608 -2.134 -1.358) 2.997 28.422 ( 0.277 6.089 -0.520) 6.118 28.451 ( -0.257 1.460 1.025) 1.803 28.471 ( 2.545 1.982 0.202) 3.232 28.680 ( 0.173 7.259 -7.621) 10.527 28.764 ( -0.548 5.351 2.191) 5.808 28.926 ( 0.352 -1.297 -1.603) 2.092 29.391 ( -3.730 3.292 -0.013) 4.975 29.692 ( -2.361 2.846 -12.723) 13.249 30.091 ( -2.294 0.542 3.736) 4.418 30.239 ( 2.611 1.196 -1.801) 3.390 31.219 ( -1.361 1.048 11.661) 11.787 31.489 ( 5.146 -2.391 12.069) 13.336 31.741 ( -3.205 2.245 -3.773) 5.436 31.974 ( 1.080 0.382 7.129) 7.220 32.198 ( -1.652 -1.844 -0.809) 2.605 32.501 ( 8.522 -4.824 26.771) 28.505 32.684 ( 5.866 11.199 -0.103) 12.643 34.029 ( 6.096 -4.704 -15.790) 17.567 35.589 ( -5.827 -2.434 0.795) 6.365 35.738 ( -3.915 3.769 0.494) 5.457 35.879 ( 4.643 -1.283 4.604) 6.663 35.923 ( 4.031 -1.076 -0.961) 4.281 36.259 ( -3.851 0.175 5.673) 6.859 36.441 ( 1.916 -3.478 6.228) 7.386 36.984 ( -8.852 -10.076 -15.407) 20.427 37.139 ( 0.742 -6.075 -8.275) 10.292 ======================= Grid point 60 (28/64) ======================= q-point: (-0.17 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -0.418 14.502 18.486) 23.499 0.877 ( -7.033 19.180 15.326) 25.539 1.370 ( -7.492 32.467 23.901) 41.006 1.688 ( 10.924 5.149 -19.510) 22.945 2.034 ( -2.602 8.804 -11.018) 14.341 2.197 ( -2.132 2.851 1.865) 4.019 2.303 ( 0.235 -1.668 0.612) 1.792 2.451 ( 2.470 1.098 3.026) 4.057 2.483 ( 5.081 2.171 2.559) 6.089 2.584 ( 0.021 -3.704 3.719) 5.248 2.625 ( 0.997 -3.086 -0.350) 3.262 2.706 ( 3.509 3.541 -2.575) 5.611 2.812 ( -0.746 0.666 5.485) 5.576 2.890 ( 5.060 8.078 1.741) 9.690 2.961 ( -3.766 2.826 1.126) 4.840 2.993 ( 1.143 -2.984 -0.682) 3.267 3.142 ( 7.955 -0.536 -0.483) 7.987 3.226 ( -1.412 -1.036 -0.190) 1.762 3.258 ( 0.989 -1.084 0.852) 1.697 3.323 ( -0.771 3.067 -1.207) 3.385 3.359 ( -4.082 -2.003 -0.888) 4.633 3.550 ( -3.438 -2.710 -2.044) 4.831 3.561 ( -1.484 0.431 -1.602) 2.226 3.584 ( 4.244 -0.141 1.054) 4.376 3.607 ( -3.798 -4.813 2.231) 6.525 3.678 ( -3.633 -1.824 0.404) 4.085 3.704 ( -3.235 0.702 0.239) 3.319 3.825 ( -2.071 -0.361 -2.718) 3.436 3.921 ( 1.081 -2.557 -1.498) 3.154 4.004 ( -2.526 -1.723 -1.451) 3.384 4.094 ( -5.325 -1.504 1.332) 5.691 4.114 ( 3.046 -3.110 -0.613) 4.396 4.145 ( 2.720 2.511 2.686) 4.574 4.410 ( -0.056 -0.916 -3.691) 3.803 4.451 ( 5.186 3.691 0.784) 6.413 4.494 ( 1.322 0.889 -3.564) 3.904 4.553 ( -0.865 -1.490 -1.543) 2.312 4.668 ( 0.915 -0.050 -1.628) 1.868 4.721 ( 1.878 3.524 -5.170) 6.532 4.746 ( 0.440 0.079 -1.544) 1.608 4.826 ( -0.725 -0.476 6.688) 6.744 4.873 ( -0.417 -1.448 -2.556) 2.967 4.892 ( 1.694 0.793 -0.715) 2.003 4.996 ( -1.816 1.091 -0.798) 2.264 5.049 ( -2.224 -3.543 -6.230) 7.504 5.111 ( -0.754 3.821 -0.765) 3.969 5.256 ( 0.092 -0.625 -0.580) 0.858 5.278 ( -3.417 -2.456 3.369) 5.390 5.307 ( -0.151 -2.899 0.012) 2.903 5.447 ( -0.489 1.880 -5.663) 5.987 5.510 ( -2.846 1.561 -0.057) 3.246 5.555 ( 2.084 1.693 -1.646) 3.149 5.640 ( -1.570 0.718 5.808) 6.059 5.709 ( -2.446 1.340 -0.367) 2.813 5.767 ( 1.100 2.684 4.818) 5.624 5.973 ( -3.299 0.348 -3.912) 5.129 6.045 ( 0.401 0.470 3.125) 3.185 6.073 ( 0.780 -3.654 6.455) 7.459 6.165 ( 0.801 1.910 0.195) 2.081 6.268 ( 7.097 -0.315 5.396) 8.921 6.325 ( 7.339 -0.526 15.809) 17.437 6.547 ( 2.223 -0.269 -3.668) 4.298 6.712 ( -10.372 -2.985 -9.537) 14.403 6.779 ( -1.102 0.238 1.764) 2.094 6.792 ( 1.754 2.796 5.134) 6.103 7.020 ( 0.377 3.500 -4.555) 5.757 7.309 ( 4.678 9.019 -2.108) 10.376 7.335 ( 0.174 1.355 4.052) 4.277 7.683 ( -0.299 0.942 -1.860) 2.106 7.795 ( 2.191 1.986 -3.581) 4.644 8.014 ( 1.863 -0.239 4.020) 4.437 8.126 ( 4.071 -8.203 1.648) 9.305 11.914 ( 2.949 1.859 0.509) 3.523 11.987 ( 3.735 0.991 -0.477) 3.894 12.280 ( 0.643 -2.358 0.320) 2.465 12.317 ( 0.342 -0.838 1.532) 1.779 12.405 ( -2.559 -0.504 -1.168) 2.858 12.437 ( 2.694 -1.594 -0.381) 3.153 12.697 ( -1.943 -0.254 0.748) 2.098 12.735 ( -2.948 1.147 0.308) 3.178 13.848 ( 1.111 -0.460 3.500) 3.701 13.935 ( 0.016 -0.835 1.626) 1.828 14.006 ( -0.755 1.398 1.394) 2.113 14.091 ( 1.371 0.199 0.530) 1.484 14.216 ( 0.386 -1.365 -1.958) 2.417 14.289 ( -0.169 -0.106 -3.928) 3.933 14.428 ( -0.651 -1.931 1.792) 2.714 14.479 ( -0.506 -0.054 -0.173) 0.538 16.608 ( 5.097 2.358 -1.175) 5.738 16.623 ( 2.288 -0.304 -1.484) 2.744 16.700 ( 1.155 -1.374 0.434) 1.847 16.777 ( 3.803 -1.285 -0.745) 4.083 16.976 ( -0.415 0.977 1.137) 1.555 17.054 ( -0.937 2.199 -0.834) 2.532 17.202 ( -3.498 0.122 -0.522) 3.538 17.224 ( -3.541 1.309 -0.357) 3.792 17.392 ( -0.488 0.283 0.971) 1.123 17.489 ( -0.026 -0.196 -2.490) 2.498 17.591 ( -0.966 -0.622 1.722) 2.071 17.642 ( -0.011 -0.346 -0.059) 0.351 17.712 ( 1.789 -1.603 2.139) 3.217 17.717 ( 0.489 -0.835 -0.168) 0.982 17.765 ( 0.582 -0.257 -0.854) 1.065 17.778 ( -0.848 -0.241 -0.460) 0.994 18.888 ( 2.143 0.188 3.864) 4.422 18.996 ( 2.537 -0.322 -0.497) 2.605 19.042 ( 0.405 -0.335 -0.018) 0.526 19.086 ( -0.082 -1.085 -1.939) 2.223 19.309 ( -0.855 -1.076 1.288) 1.883 19.387 ( -0.199 -1.350 3.880) 4.113 19.413 ( -2.661 -0.073 1.341) 2.981 19.472 ( -3.565 -0.001 -1.869) 4.025 27.761 ( 0.066 0.599 0.710) 0.932 27.846 ( -0.136 -1.127 0.761) 1.366 27.902 ( 1.075 1.471 -2.928) 3.449 27.974 ( 0.658 0.301 -1.639) 1.792 28.114 ( 0.512 1.125 0.054) 1.237 28.286 ( -1.236 -0.186 -2.112) 2.454 28.426 ( 0.421 6.581 -0.491) 6.613 28.459 ( 0.696 0.446 1.005) 1.301 28.551 ( 4.831 2.154 -2.038) 5.668 28.680 ( 1.007 12.772 -11.872) 17.467 28.752 ( -0.820 3.884 2.534) 4.710 28.933 ( 0.453 -1.555 -2.010) 2.582 29.355 ( 1.763 10.778 -4.808) 11.932 29.597 ( -5.978 4.808 -13.649) 15.657 30.063 ( -1.043 -0.111 5.292) 5.395 30.286 ( 2.073 0.489 -2.464) 3.256 31.211 ( -0.386 1.114 9.462) 9.535 31.577 ( 2.293 -3.944 7.207) 8.530 31.695 ( -0.686 2.022 -3.810) 4.367 32.002 ( 0.610 -0.796 6.074) 6.156 32.137 ( -3.331 -0.088 -0.056) 3.333 32.735 ( 6.700 1.920 -0.531) 6.989 32.920 ( 24.030 -10.597 46.766) 53.636 34.211 ( 13.495 -3.364 -10.716) 17.558 35.489 ( -3.780 -1.589 0.818) 4.182 35.678 ( -2.233 5.169 0.143) 5.633 35.950 ( 2.342 -2.329 3.030) 4.483 35.993 ( 3.623 -1.803 1.861) 4.454 36.143 ( -11.219 -5.827 -2.543) 12.896 36.413 ( -8.820 -4.605 3.127) 10.430 36.738 ( -11.375 -3.863 -9.874) 15.550 37.144 ( 0.440 -5.314 -7.367) 9.094 ======================= Grid point 61 (29/64) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -1.916 21.298 12.362) 24.700 1.340 ( 6.913 22.040 18.381) 29.520 1.869 ( 1.476 5.521 -0.634) 5.750 2.081 ( 1.571 22.779 11.332) 25.491 2.141 ( 3.996 -0.311 -5.937) 7.163 2.246 ( 1.980 7.350 -3.576) 8.411 2.286 ( 0.220 1.288 1.467) 1.964 2.482 ( 1.303 -3.688 6.608) 7.679 2.508 ( -0.302 3.108 1.170) 3.334 2.631 ( 0.629 2.661 -0.495) 2.778 2.675 ( 2.461 2.322 -3.470) 4.847 2.750 ( -1.816 0.179 4.019) 4.414 2.908 ( 4.385 5.257 3.413) 7.649 2.994 ( 3.960 0.950 0.729) 4.137 3.021 ( -0.501 3.432 0.351) 3.486 3.113 ( 1.787 2.973 1.691) 3.859 3.167 ( -3.834 -0.507 0.598) 3.914 3.201 ( 0.849 -1.728 1.619) 2.515 3.251 ( 1.520 -1.344 -2.471) 3.197 3.295 ( -0.712 -0.173 5.034) 5.087 3.348 ( -3.128 1.821 -1.339) 3.860 3.406 ( -3.740 -2.149 2.552) 5.012 3.438 ( 0.381 -4.362 -3.057) 5.341 3.510 ( 1.124 -0.052 -2.348) 2.603 3.579 ( -3.183 -0.503 -1.041) 3.386 3.682 ( 1.749 -1.447 3.037) 3.792 3.726 ( 0.273 -0.334 2.394) 2.433 3.759 ( -0.847 -3.306 -7.337) 8.092 3.891 ( -1.378 0.146 -1.887) 2.341 3.917 ( -0.643 -2.990 0.982) 3.212 3.933 ( -3.658 0.498 0.429) 3.717 4.097 ( 0.894 -3.596 2.781) 4.633 4.214 ( -1.686 -3.381 -1.293) 3.993 4.361 ( 1.044 -2.317 -5.591) 6.141 4.391 ( -4.139 -3.428 -5.138) 7.435 4.424 ( -2.452 -1.294 1.656) 3.229 4.614 ( 3.316 0.912 -2.228) 4.098 4.693 ( -1.033 0.299 -3.127) 3.306 4.748 ( -3.272 0.454 -0.291) 3.316 4.783 ( 0.357 -2.033 -3.346) 3.932 4.818 ( 0.012 -0.233 -2.803) 2.813 4.899 ( 2.098 4.192 -5.691) 7.373 4.914 ( 1.626 1.423 -2.566) 3.354 4.962 ( -0.002 0.421 -4.047) 4.069 5.054 ( -0.687 3.213 -0.480) 3.320 5.148 ( 0.181 -2.195 0.136) 2.207 5.171 ( -0.059 -3.530 4.185) 5.476 5.219 ( -1.761 -1.795 -0.141) 2.519 5.315 ( -0.917 7.083 0.683) 7.174 5.474 ( 0.736 1.275 -3.907) 4.176 5.506 ( -0.735 1.385 -0.818) 1.768 5.566 ( 0.501 -1.329 -1.716) 2.227 5.661 ( -1.011 3.236 4.122) 5.337 5.722 ( -0.915 3.879 -2.775) 4.857 5.886 ( -0.457 1.182 1.339) 1.844 5.971 ( 0.252 4.717 -3.113) 5.657 6.018 ( -0.924 -2.005 3.237) 3.919 6.060 ( 0.419 2.022 0.812) 2.219 6.190 ( 0.229 -0.941 1.196) 1.539 6.233 ( -1.898 0.700 1.353) 2.434 6.383 ( -2.520 -3.499 -4.842) 6.484 6.530 ( -2.304 0.126 9.335) 9.615 6.656 ( 8.619 -2.933 1.228) 9.187 6.832 ( -0.189 4.979 3.728) 6.223 6.872 ( 1.440 1.176 1.583) 2.442 7.074 ( 0.283 0.610 0.114) 0.682 7.370 ( 1.404 -0.140 0.320) 1.447 7.445 ( 1.190 0.022 2.196) 2.498 7.713 ( -0.060 2.205 -2.575) 3.391 7.854 ( 0.490 0.762 0.430) 1.003 8.008 ( -0.952 -3.062 4.049) 5.164 8.030 ( 0.597 -3.892 1.255) 4.133 12.005 ( -0.018 3.278 0.082) 3.279 12.042 ( -0.073 1.661 -0.191) 1.674 12.247 ( 1.706 -3.603 0.116) 3.988 12.253 ( -1.866 -3.418 0.783) 3.972 12.388 ( 0.573 0.369 0.093) 0.688 12.429 ( -0.512 -1.169 -0.379) 1.331 12.696 ( 0.234 0.768 0.438) 0.915 12.710 ( -0.201 0.799 -0.013) 0.824 13.861 ( 0.469 0.145 3.405) 3.440 13.914 ( 0.050 -0.982 1.514) 1.806 14.034 ( -0.608 2.665 -0.326) 2.753 14.113 ( 0.232 0.591 0.661) 0.917 14.188 ( 0.555 -2.136 -1.446) 2.638 14.260 ( -0.498 -1.968 -4.247) 4.707 14.391 ( -0.568 -0.339 1.560) 1.695 14.457 ( -0.535 -0.927 -0.941) 1.425 16.642 ( -0.570 0.189 0.427) 0.737 16.677 ( 0.174 -0.230 -0.407) 0.499 16.764 ( 2.788 1.204 -1.357) 3.327 16.788 ( -2.127 0.352 -0.549) 2.225 17.017 ( 0.452 2.553 0.674) 2.679 17.059 ( -1.072 1.455 0.051) 1.808 17.169 ( -1.866 -0.157 0.050) 1.873 17.180 ( 1.855 -0.212 0.178) 1.876 17.433 ( 1.120 2.203 -0.871) 2.621 17.470 ( -1.658 1.077 -0.851) 2.152 17.582 ( -0.734 0.214 2.503) 2.617 17.611 ( -0.142 -2.141 0.650) 2.242 17.680 ( -1.051 -1.290 -0.181) 1.674 17.699 ( 0.323 -2.524 0.581) 2.610 17.766 ( 1.095 0.414 -1.386) 1.815 17.781 ( 1.053 -0.359 -0.526) 1.230 18.925 ( 0.652 -0.727 2.707) 2.878 19.031 ( 2.435 -2.654 2.013) 4.126 19.054 ( 1.990 0.017 -1.438) 2.455 19.083 ( 1.442 -0.907 0.624) 1.814 19.282 ( -2.568 0.045 0.660) 2.652 19.327 ( -1.783 -1.664 1.765) 3.010 19.379 ( -0.243 0.207 -0.746) 0.812 19.424 ( 1.911 -1.213 -0.717) 2.374 27.779 ( -0.123 1.095 1.236) 1.656 27.819 ( -0.231 -1.136 0.746) 1.378 27.889 ( -0.030 -1.471 -1.152) 1.869 27.926 ( 0.331 -2.466 -1.110) 2.725 28.189 ( 0.698 1.638 0.472) 1.842 28.249 ( -0.924 -0.572 -0.711) 1.299 28.469 ( 0.092 0.135 0.700) 0.719 28.530 ( 0.117 0.583 -0.440) 0.739 28.580 ( 0.011 3.330 0.021) 3.330 28.796 ( -1.261 4.213 -0.566) 4.434 28.859 ( 0.593 -1.107 -3.365) 3.592 28.922 ( 0.823 0.610 -3.399) 3.550 29.589 ( -2.701 5.077 -8.016) 9.865 29.718 ( 1.956 6.009 -20.413) 21.369 30.137 ( 4.285 5.980 -7.470) 10.484 30.318 ( 0.792 0.435 -5.511) 5.585 31.251 ( 0.112 2.212 9.973) 10.216 31.505 ( -1.595 -5.094 13.647) 14.654 31.719 ( 0.149 2.469 -4.004) 4.706 31.949 ( -0.691 -3.108 -2.431) 4.006 32.117 ( -2.493 2.244 9.207) 9.799 32.529 ( -6.870 -14.498 27.584) 31.910 33.190 ( 3.857 10.901 4.959) 12.582 34.167 ( 0.730 -15.379 -9.534) 18.109 35.523 ( 4.260 0.173 -1.493) 4.517 35.594 ( -8.631 -2.164 -1.945) 9.108 35.771 ( 0.145 3.459 2.576) 4.316 35.986 ( 1.996 -2.384 -0.009) 3.109 36.197 ( 7.241 3.929 5.944) 10.158 36.382 ( -2.905 9.169 -0.244) 9.621 36.580 ( -0.769 -5.823 1.874) 6.165 37.001 ( 0.107 -8.874 -6.094) 10.765 ======================= Grid point 62 (30/64) ======================= q-point: ( 0.17 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -3.232 21.527 7.146) 22.911 1.539 ( 10.575 19.542 16.490) 27.671 1.915 ( 3.540 3.129 -2.398) 5.298 2.084 ( -0.669 19.582 12.210) 23.086 2.214 ( 1.170 3.109 -1.115) 3.504 2.264 ( 0.223 2.808 -0.469) 2.856 2.329 ( 0.938 5.458 -12.201) 13.399 2.499 ( -0.322 3.796 -0.404) 3.831 2.516 ( 2.166 -2.531 8.406) 9.042 2.619 ( -2.690 4.289 -1.285) 5.223 2.673 ( -4.328 1.170 -1.506) 4.729 2.699 ( 0.165 -1.867 5.933) 6.222 2.962 ( -1.583 5.501 6.234) 8.463 2.989 ( -2.930 4.170 2.824) 5.826 3.046 ( 1.027 -0.140 -3.796) 3.935 3.071 ( -2.139 3.288 1.655) 4.257 3.155 ( -7.644 3.146 4.197) 9.270 3.188 ( 3.188 -3.766 7.123) 8.665 3.230 ( 2.127 0.118 0.241) 2.144 3.303 ( 1.068 0.879 -3.420) 3.689 3.335 ( 0.142 -1.697 -2.815) 3.290 3.404 ( 1.597 -3.005 -3.431) 4.833 3.414 ( -0.156 -3.874 -1.053) 4.018 3.523 ( -0.316 -3.224 1.228) 3.465 3.640 ( 8.550 2.061 0.147) 8.796 3.682 ( -2.142 -1.415 -1.747) 3.105 3.755 ( 3.211 2.402 2.167) 4.558 3.766 ( 2.568 -0.918 -4.772) 5.497 3.845 ( -2.212 -3.125 1.051) 3.971 3.878 ( 1.084 -2.908 1.181) 3.321 3.956 ( -0.221 1.846 -3.087) 3.604 4.099 ( -1.194 -5.507 3.218) 6.489 4.153 ( -2.479 -2.964 -3.819) 5.433 4.326 ( -4.564 2.169 0.614) 5.090 4.374 ( -0.198 -4.901 -1.133) 5.034 4.376 ( 0.373 -4.182 -2.799) 5.047 4.625 ( -3.526 -0.724 1.863) 4.053 4.671 ( -0.257 -0.295 -5.468) 5.482 4.697 ( 0.170 3.447 -3.390) 4.837 4.756 ( -2.837 -1.829 -3.091) 4.577 4.806 ( -0.463 2.929 -8.747) 9.236 4.903 ( -2.506 0.511 -0.847) 2.695 4.951 ( 2.265 -0.653 -1.427) 2.756 4.965 ( 0.749 0.392 -4.482) 4.561 5.045 ( 0.187 2.530 2.897) 3.851 5.147 ( 0.401 -1.996 3.152) 3.752 5.177 ( -0.689 -0.060 1.196) 1.381 5.196 ( -0.966 -0.008 0.498) 1.087 5.317 ( 0.731 4.061 0.830) 4.209 5.446 ( -1.641 1.679 -2.808) 3.660 5.530 ( 2.316 1.006 1.675) 3.030 5.584 ( 1.569 2.153 -3.968) 4.779 5.654 ( -0.108 0.275 5.630) 5.638 5.723 ( 0.748 2.767 -1.864) 3.419 5.851 ( -2.261 0.536 0.721) 2.433 5.985 ( 0.936 3.931 1.223) 4.222 6.011 ( 0.149 -1.589 2.175) 2.698 6.088 ( 1.929 1.563 -1.162) 2.741 6.174 ( -1.239 -0.792 -0.517) 1.559 6.242 ( 1.597 2.599 2.358) 3.856 6.337 ( -1.015 -0.489 1.835) 2.153 6.490 ( -1.517 1.970 0.465) 2.529 6.763 ( 1.318 -2.324 -0.493) 2.716 6.835 ( 0.256 5.040 3.346) 6.055 6.925 ( 3.377 -3.544 0.319) 4.906 7.076 ( 0.061 0.072 -0.259) 0.275 7.394 ( 0.830 0.622 -0.416) 1.117 7.453 ( -0.998 -1.308 3.306) 3.693 7.716 ( 0.714 1.406 -3.296) 3.654 7.847 ( -1.240 -0.310 0.907) 1.568 7.964 ( -3.626 -0.910 3.275) 4.970 8.011 ( -2.076 -2.553 0.846) 3.398 11.961 ( -3.244 2.774 -0.157) 4.271 12.015 ( -3.209 2.467 0.096) 4.049 12.223 ( -0.671 -3.811 0.247) 3.877 12.270 ( -0.109 -2.907 0.642) 2.979 12.394 ( -1.662 -0.484 -0.313) 1.759 12.406 ( 0.763 -0.861 0.109) 1.155 12.713 ( 2.045 1.233 0.341) 2.412 12.754 ( 3.167 0.453 -0.035) 3.199 13.867 ( -0.145 0.156 3.361) 3.368 13.916 ( 0.009 -0.462 1.503) 1.573 14.027 ( -0.012 2.449 0.189) 2.457 14.110 ( -0.593 0.885 0.648) 1.247 14.196 ( 0.243 -2.318 -2.128) 3.156 14.251 ( 0.027 -1.738 -4.257) 4.598 14.384 ( -0.243 -0.572 1.853) 1.955 14.449 ( -0.116 -1.039 -0.835) 1.338 16.611 ( -2.092 0.473 -0.171) 2.151 16.668 ( -2.096 -0.737 0.048) 2.222 16.688 ( -5.298 2.084 -0.566) 5.721 16.754 ( -3.329 -0.359 -0.949) 3.481 17.016 ( -0.482 2.666 1.172) 2.952 17.060 ( 1.003 1.076 -0.638) 1.603 17.200 ( 4.010 0.225 -0.104) 4.018 17.253 ( 4.566 -0.106 0.226) 4.573 17.414 ( -1.678 2.639 -0.126) 3.130 17.473 ( 0.869 0.876 -0.677) 1.408 17.573 ( -0.147 -0.471 1.952) 2.014 17.605 ( -0.414 -1.370 0.618) 1.559 17.652 ( -1.369 -1.147 -0.684) 1.912 17.706 ( 0.164 -2.944 0.762) 3.046 17.790 ( 0.865 0.910 -1.664) 2.085 17.806 ( 1.497 -0.019 -0.335) 1.534 18.924 ( -0.507 -1.065 1.110) 1.619 19.042 ( -2.349 -2.743 0.374) 3.631 19.092 ( 2.065 -1.778 -0.636) 2.798 19.102 ( 0.506 -0.698 -0.808) 1.181 19.241 ( -1.416 -0.780 1.521) 2.220 19.284 ( -1.673 -1.858 1.610) 2.974 19.437 ( 4.998 0.387 0.953) 5.102 19.497 ( 4.564 -0.804 -0.484) 4.659 27.775 ( -0.413 1.002 1.264) 1.666 27.814 ( -0.013 -1.068 0.567) 1.209 27.894 ( 0.651 -0.689 -1.254) 1.572 27.941 ( 0.891 -2.996 -0.884) 3.248 28.156 ( -2.692 1.599 0.121) 3.133 28.247 ( -0.389 -1.294 -0.340) 1.393 28.472 ( 0.169 0.563 0.587) 0.831 28.519 ( -1.756 -0.687 -0.769) 2.036 28.571 ( -0.206 5.647 0.734) 5.698 28.786 ( 0.219 5.437 -3.002) 6.215 28.863 ( 0.163 -2.126 -1.070) 2.385 28.945 ( 1.382 1.873 -4.267) 4.861 29.511 ( -3.069 8.508 -7.691) 11.872 29.728 ( 0.377 1.016 -12.546) 12.593 30.206 ( 2.582 4.459 -9.302) 10.634 30.314 ( -0.750 1.311 -5.082) 5.302 31.268 ( 0.903 1.463 10.050) 10.196 31.439 ( -6.401 -3.479 20.264) 21.533 31.748 ( 3.045 2.635 -2.448) 4.713 31.956 ( 1.577 -2.663 -3.163) 4.425 32.058 ( -3.473 2.614 8.460) 9.511 32.387 ( -7.018 -7.484 21.416) 23.747 33.170 ( -5.873 13.035 1.783) 14.408 34.092 ( -6.062 -13.645 -9.076) 17.473 35.499 ( 0.802 1.411 0.481) 1.693 35.626 ( 3.789 -2.406 -2.334) 5.059 35.791 ( 1.362 2.701 1.303) 3.294 35.989 ( -1.843 -2.540 1.058) 3.312 36.319 ( -0.164 6.675 1.612) 6.869 36.413 ( 5.659 -1.148 5.127) 7.722 36.621 ( 7.033 -7.369 -2.434) 10.473 36.995 ( -0.291 -8.983 -6.340) 10.999 ======================= Grid point 63 (31/64) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.306 16.726 0.553) 16.738 1.705 ( 3.392 17.821 7.828) 19.758 1.988 ( 2.956 4.219 -7.884) 9.418 2.076 ( -1.606 18.254 11.028) 21.387 2.141 ( -6.583 5.796 -14.622) 17.051 2.278 ( 2.619 4.240 0.420) 5.001 2.299 ( -2.131 -0.323 -2.722) 3.472 2.465 ( -3.027 1.116 -3.658) 4.878 2.506 ( -3.336 6.650 4.125) 8.508 2.561 ( -4.491 -1.289 1.034) 4.785 2.622 ( 2.342 1.526 -1.016) 2.974 2.739 ( 0.894 -3.852 3.595) 5.345 2.868 ( -5.337 3.110 5.521) 8.285 2.932 ( -2.952 5.541 1.314) 6.414 3.001 ( -3.983 4.962 3.222) 7.132 3.061 ( -0.008 3.852 -4.754) 6.119 3.093 ( -0.847 -0.351 11.207) 11.244 3.196 ( -4.695 0.076 1.114) 4.826 3.257 ( 2.065 -3.268 4.570) 5.985 3.314 ( 1.988 0.195 -1.859) 2.729 3.331 ( 0.813 -1.231 -4.400) 4.641 3.436 ( 3.319 -4.266 -4.849) 7.262 3.507 ( 0.951 -7.976 0.819) 8.074 3.549 ( 7.855 -0.216 -2.069) 8.126 3.668 ( -0.053 2.886 -2.137) 3.591 3.733 ( -0.759 -1.508 -2.954) 3.402 3.756 ( 0.009 1.961 -3.420) 3.942 3.861 ( 1.973 -3.399 3.300) 5.132 3.868 ( -0.547 1.714 -4.221) 4.588 3.934 ( 4.948 -0.803 5.246) 7.256 3.946 ( 6.433 1.950 2.799) 7.281 4.061 ( -1.456 -5.095 2.275) 5.767 4.131 ( -2.517 0.316 -2.574) 3.614 4.249 ( -0.802 0.625 4.119) 4.243 4.358 ( -1.745 -3.764 2.781) 4.995 4.412 ( 2.244 -4.916 1.020) 5.499 4.554 ( -2.244 -2.190 1.073) 3.315 4.659 ( -1.263 0.627 -2.723) 3.067 4.667 ( -4.372 -0.416 -2.337) 4.975 4.725 ( 0.879 0.680 -5.121) 5.240 4.787 ( -0.108 3.326 -9.248) 9.829 4.858 ( -1.285 1.444 4.031) 4.471 4.963 ( -0.189 2.192 -2.403) 3.259 4.993 ( 1.783 -3.916 -0.119) 4.304 5.057 ( 0.148 3.735 4.146) 5.582 5.161 ( -0.242 -2.746 1.770) 3.276 5.164 ( 0.660 -1.361 3.279) 3.611 5.189 ( 0.540 1.648 -0.770) 1.897 5.327 ( 0.283 2.025 0.083) 2.046 5.440 ( 0.534 0.789 -0.206) 0.974 5.570 ( 1.561 1.616 2.336) 3.241 5.604 ( 0.311 2.727 0.869) 2.879 5.667 ( 0.669 -0.278 2.159) 2.277 5.732 ( 0.201 2.130 -0.323) 2.164 5.831 ( 0.127 1.413 1.145) 1.823 5.987 ( -0.890 1.349 1.109) 1.960 6.029 ( 1.139 0.812 0.772) 1.598 6.120 ( 1.393 0.358 -0.341) 1.478 6.151 ( -1.166 -0.840 -1.893) 2.377 6.266 ( 0.522 3.426 0.644) 3.524 6.351 ( 1.877 0.187 2.802) 3.378 6.468 ( -0.879 1.827 -1.333) 2.426 6.765 ( 0.119 0.728 -3.389) 3.468 6.838 ( -0.322 4.067 2.458) 4.763 6.958 ( -0.175 -5.640 -4.167) 7.014 7.079 ( 0.135 -0.949 -0.837) 1.272 7.387 ( -1.877 -0.446 -1.914) 2.717 7.428 ( -0.845 3.513 3.226) 4.844 7.727 ( 0.354 0.703 -2.540) 2.659 7.814 ( -1.868 0.039 0.625) 1.970 7.902 ( -2.125 0.373 1.675) 2.731 7.975 ( -1.483 -1.962 0.412) 2.493 11.907 ( -1.852 2.783 -0.114) 3.345 11.942 ( -3.586 2.336 0.002) 4.280 12.207 ( -1.145 -3.161 0.666) 3.427 12.256 ( -0.958 -3.774 -0.174) 3.898 12.372 ( -0.172 0.110 0.461) 0.504 12.430 ( 1.107 -1.741 -0.298) 2.084 12.756 ( 1.827 1.643 0.737) 2.565 12.808 ( 2.080 0.527 -0.363) 2.176 13.861 ( -0.610 0.400 2.692) 2.789 13.916 ( -0.163 -0.382 1.247) 1.314 14.032 ( 0.317 2.114 0.610) 2.223 14.096 ( -0.712 1.791 0.628) 2.027 14.193 ( -0.205 -2.370 -3.117) 3.921 14.256 ( 0.650 -1.362 -3.566) 3.872 14.386 ( 0.251 -0.989 2.606) 2.798 14.452 ( 0.406 -1.293 -0.182) 1.367 16.564 ( -2.695 0.353 -0.086) 2.719 16.592 ( -3.136 -0.747 -0.984) 3.371 16.636 ( -1.186 1.278 -0.292) 1.768 16.690 ( -2.840 0.022 -0.273) 2.854 17.009 ( -0.111 2.119 1.153) 2.415 17.082 ( 0.831 0.307 -0.627) 1.086 17.274 ( 3.133 0.824 -0.163) 3.243 17.322 ( 1.858 1.238 0.180) 2.240 17.400 ( 0.493 1.186 0.229) 1.305 17.479 ( -0.259 0.514 -0.589) 0.823 17.583 ( 0.741 -0.533 1.716) 1.943 17.598 ( -0.225 -0.993 0.553) 1.159 17.635 ( -0.255 -1.385 0.230) 1.427 17.706 ( -0.172 -3.350 0.555) 3.400 17.795 ( -0.017 1.824 -2.102) 2.784 17.827 ( 0.617 0.339 -1.007) 1.229 18.917 ( -0.227 -0.740 0.151) 0.789 18.982 ( -3.063 -1.442 -1.454) 3.684 19.081 ( -1.781 -0.657 -3.345) 3.846 19.125 ( 0.541 -2.962 -1.809) 3.513 19.233 ( 0.716 -0.398 2.729) 2.849 19.278 ( 0.356 -2.081 3.835) 4.378 19.524 ( 3.138 1.027 1.452) 3.607 19.570 ( 2.607 -0.264 -0.622) 2.694 27.767 ( -0.398 0.826 1.234) 1.537 27.825 ( 0.941 -1.605 0.760) 2.010 27.907 ( 0.647 0.218 -1.543) 1.687 27.944 ( -0.656 -2.154 -0.995) 2.462 28.125 ( -0.069 0.417 0.139) 0.445 28.217 ( -2.499 -2.441 0.208) 3.499 28.475 ( -1.198 0.818 0.122) 1.456 28.478 ( -0.441 1.833 0.272) 1.905 28.577 ( 0.337 5.310 0.562) 5.350 28.786 ( 0.003 4.376 -4.577) 6.332 28.872 ( 0.758 -0.566 0.002) 0.946 28.956 ( 0.147 4.846 -4.739) 6.780 29.486 ( 0.650 6.614 -2.923) 7.261 29.723 ( 0.342 0.048 -9.977) 9.983 30.217 ( -0.526 2.719 -4.335) 5.144 30.280 ( -2.223 1.938 -3.468) 4.552 31.303 ( 1.610 0.689 10.947) 11.086 31.334 ( -4.932 -0.605 20.392) 20.989 31.813 ( 3.018 2.456 -1.128) 4.051 31.979 ( -0.005 0.862 3.119) 3.235 32.046 ( 2.506 -1.151 1.023) 2.941 32.320 ( -1.930 -5.028 16.596) 17.447 33.027 ( -7.155 16.431 -3.439) 18.249 33.951 ( -6.863 -12.050 -11.283) 17.878 35.580 ( 6.422 -0.325 1.713) 6.654 35.679 ( 1.641 -2.246 -1.237) 3.044 35.811 ( 0.509 2.354 0.332) 2.431 35.932 ( -3.535 -1.979 1.717) 4.400 36.325 ( 1.150 6.874 0.709) 7.006 36.428 ( -2.533 -2.165 7.420) 8.134 36.799 ( 8.347 -11.513 -6.099) 15.473 36.978 ( -0.995 -8.795 -6.698) 11.100 ======================= Grid point 64 (32/64) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.737 12.657 -2.346) 12.894 1.632 ( -9.907 16.844 -0.510) 19.548 1.899 ( -7.757 11.040 -24.827) 28.256 2.024 ( -2.816 17.460 8.536) 19.638 2.148 ( 5.251 2.048 -7.388) 9.292 2.246 ( -2.012 0.487 2.973) 3.623 2.364 ( 3.182 6.293 0.467) 7.068 2.419 ( -1.104 -5.837 -2.562) 6.469 2.469 ( -0.491 5.831 -0.178) 5.854 2.510 ( -0.671 -2.032 5.824) 6.205 2.659 ( 1.122 5.594 -1.119) 5.814 2.720 ( -0.623 3.587 -1.172) 3.824 2.813 ( -1.967 1.409 4.276) 4.913 2.895 ( 0.088 1.079 1.315) 1.703 2.941 ( -2.848 0.946 7.138) 7.743 3.043 ( -1.283 10.106 -4.181) 11.012 3.100 ( -1.891 -3.089 2.960) 4.678 3.127 ( 0.969 -1.122 6.860) 7.018 3.261 ( -1.608 -3.209 -0.597) 3.639 3.361 ( 3.028 -1.077 -1.971) 3.770 3.378 ( 2.978 0.382 -1.961) 3.586 3.459 ( -0.717 -5.498 -2.806) 6.214 3.548 ( 1.407 -4.058 -2.239) 4.843 3.568 ( -5.374 -0.041 -6.774) 8.647 3.654 ( -0.313 1.757 -1.411) 2.275 3.750 ( 4.781 -0.313 -0.763) 4.852 3.786 ( -0.288 -0.895 -0.359) 1.007 3.832 ( -0.015 3.913 -1.207) 4.094 3.892 ( 1.088 -2.558 3.351) 4.354 3.959 ( -1.369 -1.235 2.290) 2.940 4.034 ( -0.776 -2.383 3.226) 4.085 4.089 ( 0.542 -3.022 -1.144) 3.276 4.136 ( 5.905 3.125 5.739) 8.807 4.291 ( 3.372 -1.334 5.617) 6.687 4.337 ( 0.654 0.245 5.601) 5.644 4.440 ( 0.587 -3.947 1.868) 4.406 4.555 ( 0.925 -2.912 3.129) 4.373 4.591 ( -2.092 -0.112 -3.790) 4.331 4.646 ( 1.050 -1.355 -0.413) 1.764 4.702 ( -1.396 -0.879 -8.014) 8.182 4.826 ( 3.018 4.313 0.070) 5.264 4.846 ( -0.600 -0.042 0.987) 1.156 4.945 ( -1.205 5.118 -1.426) 5.448 5.016 ( -0.025 -4.009 -0.587) 4.052 5.074 ( 1.044 3.382 4.012) 5.350 5.166 ( 0.152 -4.661 3.075) 5.586 5.181 ( 1.493 -1.889 1.722) 2.960 5.216 ( 1.891 0.126 1.058) 2.171 5.327 ( -0.274 2.941 0.189) 2.960 5.452 ( 0.679 0.192 -1.606) 1.754 5.591 ( 0.305 1.980 -0.423) 2.048 5.607 ( 0.397 1.200 8.399) 8.493 5.663 ( -1.163 1.427 -1.053) 2.120 5.735 ( 0.141 2.017 1.268) 2.387 5.844 ( 0.697 0.943 0.239) 1.196 5.960 ( -1.561 3.258 1.772) 4.024 6.045 ( 0.559 1.270 -0.229) 1.406 6.121 ( -1.649 -0.790 -2.806) 3.349 6.142 ( 0.627 -0.093 0.593) 0.868 6.258 ( -1.461 2.110 -0.274) 2.581 6.400 ( 2.543 0.382 3.771) 4.564 6.448 ( -1.099 1.173 -2.617) 3.071 6.775 ( 1.183 1.502 -5.023) 5.375 6.824 ( -1.353 2.283 1.133) 2.885 6.921 ( -2.720 -4.246 -6.584) 8.293 7.074 ( -0.448 -0.581 -1.966) 2.099 7.349 ( -1.277 1.817 -0.780) 2.354 7.421 ( -0.396 3.537 1.071) 3.717 7.722 ( -0.527 1.236 -1.278) 1.855 7.793 ( -0.182 1.612 0.097) 1.625 7.894 ( 0.913 -1.168 0.414) 1.539 7.959 ( -0.093 -2.148 0.735) 2.272 11.891 ( -0.542 2.875 -0.115) 2.928 11.904 ( 0.661 2.040 0.001) 2.144 12.191 ( -0.356 -2.823 0.746) 2.942 12.248 ( 0.332 -4.087 -0.517) 4.133 12.375 ( 0.110 0.101 0.960) 0.971 12.440 ( -0.087 -2.004 -0.601) 2.094 12.774 ( -0.192 1.711 0.965) 1.973 12.829 ( 0.115 0.698 -0.515) 0.875 13.850 ( -0.676 0.563 2.065) 2.245 13.913 ( -0.187 -0.800 1.164) 1.425 14.039 ( 0.382 1.959 0.160) 2.002 14.088 ( -0.098 2.313 0.903) 2.485 14.186 ( -0.210 -2.127 -2.974) 3.663 14.267 ( 0.751 -1.276 -3.153) 3.483 14.394 ( 0.299 -1.155 2.995) 3.224 14.462 ( 0.533 -1.381 0.280) 1.506 16.527 ( -0.526 0.505 -0.132) 0.741 16.569 ( 0.766 -1.476 -1.448) 2.205 16.633 ( 0.381 0.833 0.055) 0.918 16.651 ( -0.733 0.703 -0.238) 1.043 17.010 ( -0.040 1.637 1.206) 2.034 17.091 ( 0.283 0.105 -0.586) 0.659 17.312 ( 0.703 1.269 -0.063) 1.452 17.325 ( -0.999 2.132 0.047) 2.355 17.419 ( 0.504 0.057 0.363) 0.623 17.468 ( -0.406 -0.122 -0.953) 1.043 17.596 ( 0.659 -0.387 1.411) 1.605 17.597 ( -0.090 -0.731 1.596) 1.758 17.645 ( 1.054 -1.525 0.912) 2.066 17.700 ( -0.527 -3.248 0.409) 3.315 17.787 ( -0.621 2.192 -2.740) 3.564 17.827 ( -0.551 0.391 -1.674) 1.805 18.916 ( -0.004 -0.878 -0.378) 0.956 18.934 ( -1.450 -0.731 -1.811) 2.433 19.048 ( -1.139 -0.038 -3.372) 3.560 19.109 ( -1.484 -2.177 -3.655) 4.505 19.270 ( 2.114 -1.444 4.198) 4.917 19.288 ( 0.431 -2.238 4.061) 4.657 19.549 ( -0.701 2.033 1.155) 2.441 19.590 ( -0.458 0.147 -0.983) 1.094 27.765 ( 0.092 0.768 1.356) 1.561 27.836 ( -0.270 -2.317 0.660) 2.425 27.918 ( 0.760 0.437 -1.534) 1.767 27.926 ( -0.591 -0.548 -1.224) 1.466 28.145 ( 0.312 -0.585 0.742) 0.995 28.175 ( -0.036 -3.286 0.137) 3.289 28.460 ( 0.297 2.059 0.659) 2.182 28.480 ( 0.006 1.481 0.305) 1.512 28.576 ( -0.498 5.465 0.062) 5.488 28.787 ( 0.735 2.554 -4.659) 5.363 28.882 ( -0.043 2.182 -0.278) 2.201 28.950 ( -0.208 5.746 -4.352) 7.211 29.499 ( 0.252 5.108 -1.380) 5.297 29.732 ( 1.431 0.448 -9.911) 10.024 30.183 ( -2.866 2.421 -0.347) 3.768 30.245 ( -0.356 1.585 -2.939) 3.358 31.273 ( -2.451 1.505 15.697) 15.959 31.364 ( 2.995 -1.182 12.184) 12.602 31.837 ( -0.662 2.706 -1.693) 3.260 31.980 ( 0.129 1.775 4.869) 5.184 32.113 ( 3.143 -3.101 2.845) 5.252 32.323 ( 0.636 -4.936 16.204) 16.951 32.936 ( -1.051 17.283 -6.313) 18.429 33.849 ( -1.707 -10.443 -14.064) 17.600 35.663 ( -3.566 -0.756 0.224) 3.652 35.714 ( 6.551 -2.111 2.313) 7.261 35.817 ( 0.063 0.307 -0.614) 0.690 35.882 ( -1.137 -0.167 1.519) 1.904 36.347 ( -1.519 3.232 2.694) 4.474 36.380 ( -0.373 -0.018 5.875) 5.887 36.879 ( -0.630 -11.516 -7.070) 13.528 36.960 ( 0.957 -8.206 -6.533) 10.533 ======================= Grid point 65 (33/64) ======================= q-point: (-0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.095 15.081 2.357) 15.265 1.419 ( -10.143 18.530 1.624) 21.187 1.783 ( -1.296 10.922 -20.178) 22.981 2.007 ( 0.658 18.223 6.681) 19.420 2.175 ( -1.422 4.575 -0.217) 4.796 2.286 ( 3.029 -2.399 -0.204) 3.870 2.330 ( -2.779 -2.882 0.728) 4.069 2.410 ( -0.687 1.400 -3.311) 3.660 2.484 ( -0.338 6.407 2.629) 6.933 2.542 ( 3.911 0.306 -0.022) 3.923 2.655 ( -2.378 7.712 -0.481) 8.085 2.731 ( 2.687 4.289 -1.854) 5.389 2.808 ( 1.103 1.945 3.360) 4.036 2.886 ( -1.441 -3.128 3.408) 4.845 2.985 ( 6.874 1.263 2.781) 7.522 3.021 ( -0.008 8.533 -2.211) 8.815 3.066 ( -1.326 -0.961 -1.911) 2.517 3.170 ( 1.078 -2.939 4.696) 5.644 3.221 ( -1.277 -1.481 0.124) 1.960 3.370 ( -0.494 0.299 -5.788) 5.817 3.408 ( -3.811 -3.016 -0.917) 4.946 3.454 ( 5.205 -0.420 -0.499) 5.245 3.521 ( -0.613 -3.433 2.985) 4.591 3.539 ( -1.855 -3.439 -2.398) 4.585 3.653 ( -0.591 1.812 -0.378) 1.943 3.730 ( -1.378 -3.113 -1.735) 3.821 3.794 ( -3.554 0.335 3.485) 4.989 3.820 ( -2.635 2.951 -0.486) 3.986 3.903 ( -0.727 -0.610 2.801) 2.958 3.942 ( 2.247 -0.515 -0.094) 2.307 4.042 ( -0.340 -4.952 1.611) 5.219 4.095 ( -0.370 -4.870 0.985) 4.983 4.187 ( 0.993 4.403 2.752) 5.287 4.378 ( 4.944 0.171 6.360) 8.057 4.403 ( 2.916 -3.397 2.344) 5.054 4.420 ( -1.538 -1.521 0.296) 2.183 4.548 ( -0.641 0.668 -2.095) 2.290 4.604 ( 3.195 -0.724 -2.589) 4.176 4.681 ( 0.211 -3.506 -6.512) 7.399 4.734 ( 6.339 -0.881 0.831) 6.453 4.833 ( -0.510 0.599 0.623) 1.004 4.862 ( -0.471 0.900 5.470) 5.564 4.924 ( -0.655 6.364 -4.865) 8.037 5.002 ( -1.027 -3.461 -4.089) 5.454 5.073 ( -0.876 2.509 2.939) 3.963 5.160 ( -0.797 -3.392 0.543) 3.526 5.200 ( -0.354 -3.442 3.244) 4.744 5.266 ( 2.318 -1.431 1.562) 3.140 5.324 ( 0.097 5.353 -0.383) 5.368 5.459 ( 0.323 -0.581 -2.843) 2.920 5.572 ( -1.327 1.005 -1.556) 2.279 5.612 ( -4.057 0.188 -3.595) 5.424 5.652 ( 2.136 2.005 9.404) 9.850 5.750 ( 1.494 4.351 2.215) 5.106 5.849 ( 0.078 2.518 -0.234) 2.530 5.961 ( 1.708 3.821 4.954) 6.485 6.055 ( 0.427 1.130 -1.172) 1.683 6.082 ( -1.687 0.319 -0.697) 1.853 6.150 ( 0.548 0.264 2.033) 2.122 6.218 ( -2.029 0.771 0.413) 2.209 6.394 ( -3.078 2.768 3.388) 5.350 6.464 ( 2.184 -3.905 -2.876) 5.319 6.780 ( -3.293 -1.642 -3.349) 4.976 6.803 ( 1.831 0.825 -4.845) 5.244 6.863 ( -2.314 2.314 -0.695) 3.346 7.064 ( -0.221 0.526 -2.228) 2.300 7.338 ( 0.033 1.288 0.446) 1.364 7.415 ( -0.073 3.276 -0.210) 3.284 7.714 ( -0.083 1.514 -0.937) 1.783 7.805 ( 1.249 2.298 -0.055) 2.616 7.926 ( 2.257 -3.237 -0.437) 3.970 7.975 ( 1.504 -1.562 2.116) 3.030 11.903 ( 2.006 2.520 -0.084) 3.222 11.950 ( 3.596 2.269 -0.008) 4.252 12.197 ( 0.865 -3.059 0.338) 3.197 12.264 ( 1.074 -3.780 0.192) 3.935 12.378 ( 0.372 -0.332 0.601) 0.781 12.426 ( -1.204 -1.597 -0.456) 2.051 12.752 ( -1.957 1.659 0.655) 2.648 12.810 ( -2.021 0.802 -0.279) 2.192 13.843 ( -0.168 0.569 2.085) 2.168 13.911 ( -0.083 -1.203 1.288) 1.764 14.047 ( 0.332 1.987 -0.104) 2.017 14.092 ( 0.338 1.983 0.771) 2.154 14.181 ( -0.067 -1.954 -2.439) 3.126 14.276 ( 0.317 -1.501 -3.093) 3.452 14.400 ( 0.026 -0.927 2.732) 2.885 14.470 ( 0.169 -1.257 0.131) 1.275 16.555 ( 3.488 1.101 -0.408) 3.680 16.599 ( 1.660 0.281 -1.071) 1.995 16.652 ( 2.029 -0.820 0.770) 2.321 16.670 ( 2.613 0.087 -1.065) 2.823 17.008 ( -0.188 1.700 1.097) 2.032 17.093 ( -0.020 0.312 -0.302) 0.435 17.281 ( -3.158 1.011 -0.031) 3.316 17.309 ( -1.713 1.761 -0.086) 2.459 17.405 ( -1.125 0.153 0.402) 1.204 17.477 ( 1.165 0.087 -0.750) 1.389 17.593 ( -0.398 -0.388 1.631) 1.723 17.617 ( 0.955 -0.791 2.200) 2.525 17.664 ( 0.584 -1.407 0.670) 1.664 17.687 ( -0.420 -2.416 -0.090) 2.454 17.772 ( -0.515 1.329 -2.354) 2.752 17.806 ( -1.386 0.162 -2.097) 2.519 18.901 ( -0.746 0.189 -0.531) 0.935 18.941 ( 1.579 -0.912 -0.844) 2.009 19.034 ( -0.141 -0.044 -2.188) 2.193 19.076 ( -1.342 -1.578 -3.639) 4.187 19.283 ( -0.144 -1.735 2.787) 3.286 19.324 ( 1.922 -2.141 4.322) 5.192 19.504 ( -3.813 1.716 0.595) 4.224 19.552 ( -3.361 0.208 -1.196) 3.574 27.771 ( 0.356 0.831 1.460) 1.717 27.823 ( -0.685 -1.699 0.526) 1.906 27.906 ( -0.832 -0.827 -1.296) 1.748 27.942 ( 0.770 -0.997 -1.221) 1.755 28.125 ( -0.378 0.114 0.212) 0.448 28.225 ( 3.088 -2.885 0.362) 4.241 28.477 ( -0.350 1.329 0.351) 1.419 28.487 ( 2.164 1.067 0.413) 2.448 28.562 ( -0.673 5.851 0.042) 5.890 28.809 ( 1.883 1.185 -4.830) 5.318 28.865 ( -1.587 3.747 0.298) 4.080 28.942 ( -0.395 4.081 -4.876) 6.371 29.502 ( 1.124 7.585 -3.366) 8.374 29.749 ( 0.682 2.028 -11.868) 12.060 30.124 ( -2.725 2.885 0.602) 4.014 30.259 ( 1.719 0.598 -3.615) 4.047 31.251 ( -1.107 2.179 12.469) 12.706 31.436 ( 3.141 -2.930 12.154) 12.891 31.794 ( -2.936 3.181 -2.900) 5.211 31.989 ( 0.062 0.676 4.152) 4.207 32.146 ( -0.131 -2.540 4.920) 5.538 32.379 ( 4.088 -6.716 24.340) 25.578 32.977 ( 4.956 16.953 -6.871) 18.952 33.883 ( 6.458 -9.922 -14.042) 18.367 35.567 ( -5.449 0.340 0.653) 5.499 35.798 ( -1.386 2.019 -1.233) 2.742 35.811 ( 2.230 -5.027 4.812) 7.307 35.900 ( 2.457 -1.449 -0.374) 2.877 36.268 ( -5.335 1.364 1.220) 5.640 36.416 ( 1.787 1.289 4.974) 5.441 36.787 ( -7.092 -8.438 -5.924) 12.514 36.987 ( 1.426 -8.624 -6.305) 10.778 ======================= Grid point 66 (34/64) ======================= q-point: (-0.17 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 2.631 19.031 11.589) 22.437 1.291 ( -2.984 21.711 10.633) 24.358 1.815 ( 4.669 6.848 -10.972) 13.750 2.030 ( 0.413 24.033 10.074) 26.063 2.146 ( -1.316 -0.115 -5.842) 5.990 2.232 ( -2.065 0.307 0.631) 2.180 2.323 ( -2.783 4.498 5.278) 7.472 2.450 ( 2.732 -5.237 -0.422) 5.922 2.478 ( 2.274 7.129 1.580) 7.648 2.609 ( 1.161 2.662 -1.688) 3.359 2.621 ( 1.543 3.739 -0.881) 4.140 2.775 ( 0.129 1.409 -3.971) 4.216 2.831 ( 1.955 3.597 7.153) 8.242 2.914 ( 3.891 -1.855 -0.442) 4.333 3.023 ( 0.079 2.591 -0.780) 2.707 3.069 ( 2.112 7.059 1.086) 7.448 3.131 ( 6.460 -0.888 2.716) 7.064 3.187 ( 1.579 -2.285 -1.915) 3.373 3.232 ( 0.901 -1.405 0.162) 1.677 3.321 ( -4.001 -1.154 0.332) 4.178 3.371 ( -0.396 0.925 -2.113) 2.340 3.460 ( -3.271 -5.043 0.505) 6.032 3.517 ( -1.835 -2.882 1.232) 3.632 3.558 ( 3.933 -1.954 0.494) 4.419 3.578 ( -7.193 -3.229 2.036) 8.144 3.697 ( -1.821 2.749 1.164) 3.497 3.741 ( -2.363 2.062 2.430) 3.968 3.776 ( -0.585 -1.676 -1.789) 2.521 3.865 ( -0.331 -0.342 -2.240) 2.290 3.974 ( -2.858 -4.026 0.092) 4.938 4.045 ( -2.572 -2.368 3.150) 4.706 4.051 ( 0.710 -2.178 0.672) 2.387 4.214 ( 1.398 1.855 -1.433) 2.729 4.362 ( -1.435 -3.828 -2.808) 4.960 4.440 ( 0.582 -4.576 2.559) 5.275 4.477 ( -1.540 -0.217 3.214) 3.571 4.535 ( 3.049 1.000 -7.259) 7.937 4.671 ( 3.544 0.254 -4.470) 5.710 4.727 ( 4.198 -2.649 -3.581) 6.121 4.816 ( -3.379 -1.547 2.667) 4.575 4.823 ( -0.670 0.251 3.626) 3.696 4.850 ( 4.710 2.717 -1.189) 5.566 4.904 ( -1.044 3.980 -7.126) 8.229 4.977 ( -0.995 -0.935 -5.392) 5.562 5.063 ( -0.317 3.047 0.510) 3.105 5.144 ( -0.473 -2.079 -1.220) 2.456 5.185 ( -1.184 -4.626 4.032) 6.250 5.270 ( -2.329 -1.608 -0.619) 2.897 5.326 ( 0.143 6.748 0.728) 6.788 5.469 ( 0.704 0.324 -2.890) 2.992 5.525 ( -2.809 -0.097 -1.899) 3.392 5.562 ( -0.027 -1.368 -1.613) 2.115 5.677 ( -0.213 4.441 4.444) 6.287 5.755 ( -1.472 4.770 -2.677) 5.664 5.868 ( 1.634 3.769 2.186) 4.654 5.982 ( -0.653 1.582 -2.010) 2.639 6.038 ( -1.222 1.137 1.861) 2.500 6.068 ( -1.053 0.016 2.033) 2.290 6.182 ( 0.377 0.637 0.912) 1.174 6.253 ( 4.741 -1.447 4.500) 6.695 6.348 ( 1.336 0.737 6.277) 6.460 6.485 ( 0.820 -4.857 -1.399) 5.120 6.676 ( -6.281 -0.581 -5.525) 8.386 6.831 ( 0.280 3.800 1.682) 4.165 6.848 ( 0.912 2.514 2.374) 3.575 7.066 ( 0.448 0.853 -0.950) 1.354 7.347 ( 0.822 0.073 0.844) 1.180 7.422 ( 0.841 2.714 0.207) 2.849 7.715 ( 0.109 1.858 -1.518) 2.402 7.833 ( 1.468 1.909 0.010) 2.409 7.979 ( 3.047 -5.452 0.539) 6.269 8.008 ( 1.286 -0.989 3.153) 3.546 11.959 ( 3.394 2.624 -0.023) 4.290 12.021 ( 2.897 2.260 -0.066) 3.675 12.216 ( 1.008 -3.673 -0.000) 3.809 12.277 ( -0.039 -3.163 1.096) 3.348 12.387 ( -0.408 -0.886 -0.762) 1.238 12.414 ( 1.107 -0.780 0.398) 1.412 12.710 ( -1.982 1.387 0.315) 2.440 12.756 ( -3.206 0.785 0.010) 3.301 13.848 ( 0.452 0.410 2.710) 2.778 13.912 ( 0.034 -1.324 1.445) 1.960 14.046 ( -0.426 2.421 -0.187) 2.465 14.102 ( 0.660 1.090 0.528) 1.379 14.181 ( 0.265 -2.013 -1.839) 2.739 14.273 ( -0.336 -1.818 -3.568) 4.019 14.399 ( -0.339 -0.523 2.053) 2.145 14.467 ( -0.375 -1.062 -0.445) 1.211 16.625 ( 1.766 0.498 0.170) 1.842 16.658 ( 5.790 2.368 -1.464) 6.424 16.678 ( 0.821 -0.860 0.522) 1.299 16.754 ( 4.765 -1.085 -0.921) 4.973 17.009 ( 0.182 2.118 0.702) 2.239 17.085 ( -0.947 0.869 0.045) 1.286 17.207 ( -3.855 0.370 0.034) 3.873 17.244 ( -4.561 0.396 0.058) 4.579 17.406 ( 1.112 1.432 -0.134) 1.819 17.494 ( 0.051 0.706 -0.761) 1.039 17.588 ( -0.166 -0.039 2.304) 2.311 17.617 ( -0.777 -1.738 0.446) 1.955 17.677 ( 0.899 -1.821 1.528) 2.541 17.694 ( 0.563 -1.496 0.044) 1.599 17.763 ( -0.299 0.113 -1.932) 1.958 17.777 ( -0.933 0.022 -1.539) 1.800 18.901 ( 0.836 1.049 1.704) 2.168 18.982 ( 2.482 -1.009 0.550) 2.735 19.034 ( 0.302 -0.350 -1.558) 1.625 19.060 ( 0.302 -1.280 -2.171) 2.538 19.289 ( 0.686 -0.696 1.813) 2.060 19.352 ( 0.326 -2.051 3.347) 3.939 19.418 ( -4.320 0.570 -0.353) 4.372 19.469 ( -4.604 -0.394 -1.351) 4.814 27.778 ( 0.158 1.005 1.340) 1.682 27.819 ( 0.073 -1.404 0.786) 1.611 27.893 ( -0.370 -1.151 -1.253) 1.741 27.936 ( -0.944 -2.490 -1.145) 2.899 28.147 ( 2.367 1.685 -0.109) 2.907 28.264 ( 0.463 -1.772 0.154) 1.838 28.470 ( -0.282 0.737 0.503) 0.936 28.523 ( 0.983 0.194 -0.622) 1.179 28.564 ( 1.061 4.706 0.510) 4.851 28.828 ( -1.831 2.883 0.842) 3.517 28.843 ( 1.460 0.660 -4.825) 5.084 28.925 ( -0.671 1.841 -4.423) 4.838 29.560 ( 4.836 7.828 -7.397) 11.806 29.730 ( -1.172 5.840 -17.830) 18.799 30.095 ( 0.108 4.112 -0.786) 4.188 30.294 ( 1.934 0.088 -4.954) 5.319 31.246 ( -0.451 2.442 10.695) 10.980 31.493 ( 1.523 -4.510 11.282) 12.245 31.741 ( -1.949 2.863 -3.847) 5.176 31.976 ( -1.513 -2.130 0.402) 2.644 32.138 ( -0.817 0.727 7.301) 7.382 32.511 ( 5.338 -13.233 32.777) 35.748 33.080 ( 5.814 15.667 -3.336) 17.041 34.050 ( 10.271 -12.117 -10.888) 19.258 35.488 ( -1.779 1.336 0.018) 2.225 35.763 ( -3.146 0.257 -3.475) 4.694 35.796 ( -3.941 -6.061 6.002) 9.396 35.947 ( 1.914 -1.937 -1.090) 2.933 36.166 ( -3.666 5.238 0.378) 6.404 36.431 ( -1.191 3.927 3.747) 5.557 36.640 ( -6.129 -5.142 -1.390) 8.120 37.000 ( 0.557 -8.674 -6.106) 10.622 ======================= Grid point 67 (35/64) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.146 20.161 9.039) 22.095 1.753 ( 5.212 15.718 11.795) 20.331 1.839 ( 0.194 -6.898 7.375) 10.101 2.072 ( 1.105 -9.995 7.054) 12.283 2.099 ( 2.199 0.884 -1.787) 2.968 2.210 ( 4.039 -7.854 2.298) 9.126 2.506 ( 1.377 5.008 -6.553) 8.361 2.559 ( -0.835 1.380 -3.931) 4.250 2.634 ( -0.196 5.437 4.027) 6.769 2.665 ( 0.698 2.222 3.151) 3.919 2.781 ( 0.590 8.015 -7.006) 10.662 2.824 ( 2.014 10.684 0.612) 10.890 2.931 ( 3.858 -1.930 -2.134) 4.813 3.023 ( 1.314 3.869 2.927) 5.026 3.094 ( 1.925 -3.514 0.753) 4.077 3.104 ( -0.961 -3.179 4.424) 5.532 3.154 ( 1.945 0.187 1.319) 2.357 3.182 ( -0.505 1.777 1.917) 2.663 3.236 ( -0.050 0.556 -0.916) 1.073 3.302 ( -3.159 -3.533 4.170) 6.313 3.331 ( 0.462 0.541 1.722) 1.863 3.369 ( 0.981 -1.890 -1.243) 2.465 3.402 ( -3.557 3.231 0.017) 4.805 3.514 ( -2.029 -4.393 1.325) 5.018 3.563 ( 2.544 2.654 0.490) 3.709 3.651 ( -0.553 -1.303 1.825) 2.309 3.682 ( -2.237 -3.833 -0.564) 4.474 3.706 ( 0.288 -2.405 -3.759) 4.472 3.829 ( -2.340 -0.240 6.450) 6.866 3.882 ( -2.545 -2.825 5.803) 6.937 4.023 ( -0.917 2.751 -1.776) 3.400 4.069 ( 1.640 2.430 0.006) 2.932 4.127 ( -3.097 -0.831 -3.766) 4.946 4.266 ( -2.230 -7.414 -5.443) 9.464 4.371 ( -2.468 0.405 -7.425) 7.835 4.393 ( 0.066 -1.782 -3.631) 4.045 4.626 ( 1.093 0.897 3.687) 3.949 4.657 ( 0.068 -2.530 3.415) 4.251 4.754 ( -1.373 0.624 -3.110) 3.456 4.768 ( -1.294 -0.436 -5.463) 5.631 4.842 ( 0.692 3.076 -4.161) 5.221 4.895 ( 2.102 -1.549 -5.742) 6.308 4.993 ( 0.998 2.850 -0.897) 3.150 5.028 ( -0.223 2.782 -2.677) 3.867 5.073 ( -1.076 -1.057 0.935) 1.774 5.091 ( -0.225 -2.839 4.497) 5.323 5.127 ( -0.255 1.531 1.029) 1.862 5.182 ( -0.866 -2.465 0.132) 2.616 5.455 ( 0.881 4.704 -5.128) 7.014 5.505 ( 1.669 2.247 -2.056) 3.473 5.511 ( 1.790 -1.511 -1.584) 2.828 5.544 ( 0.499 -0.631 -3.950) 4.031 5.738 ( -4.129 4.276 -0.873) 6.008 5.791 ( -3.482 1.058 -3.386) 4.971 5.887 ( -1.524 0.661 0.122) 1.666 5.951 ( -1.713 -4.104 0.122) 4.449 6.048 ( 0.776 2.968 -2.871) 4.202 6.097 ( 0.179 -0.582 -1.354) 1.484 6.203 ( -0.149 2.795 4.236) 5.077 6.274 ( 1.547 -0.821 0.474) 1.815 6.325 ( 0.035 2.793 3.931) 4.823 6.458 ( 4.588 -6.689 10.565) 13.319 6.694 ( 0.423 5.833 -3.453) 6.792 6.824 ( 0.531 -5.655 -1.095) 5.784 6.952 ( -0.168 6.105 3.947) 7.272 7.050 ( -0.178 -3.217 3.068) 4.449 7.378 ( 0.881 2.142 -0.096) 2.318 7.434 ( 0.575 -2.249 0.715) 2.429 7.768 ( -0.133 3.753 1.262) 3.962 7.847 ( -0.053 -2.983 3.327) 4.469 7.952 ( 0.396 0.271 -1.399) 1.479 7.986 ( -0.354 -2.066 0.538) 2.164 12.074 ( -0.164 3.433 0.063) 3.438 12.085 ( 0.173 2.364 -0.014) 2.370 12.173 ( 0.178 -3.274 -0.027) 3.279 12.177 ( -0.020 -3.683 0.116) 3.685 12.398 ( 0.309 0.644 0.241) 0.754 12.412 ( -0.223 -0.730 0.166) 0.781 12.712 ( -0.025 0.698 0.192) 0.724 12.719 ( -0.258 0.026 -0.002) 0.259 13.873 ( 0.467 0.913 2.612) 2.806 13.893 ( 0.434 -1.096 2.081) 2.391 14.091 ( -0.272 2.788 -2.047) 3.469 14.139 ( 0.347 0.246 -1.036) 1.119 14.145 ( -0.113 -0.281 -0.344) 0.458 14.203 ( -0.504 -3.394 -1.458) 3.728 14.403 ( -0.534 1.261 -0.010) 1.370 14.432 ( -0.521 -1.485 -0.811) 1.770 16.653 ( -0.372 0.762 0.576) 1.025 16.668 ( -0.176 -0.663 0.305) 0.751 16.781 ( 1.347 0.613 -1.185) 1.896 16.789 ( -0.342 -0.181 -0.878) 0.959 17.069 ( 0.393 2.238 0.414) 2.309 17.085 ( -0.597 0.733 0.223) 0.971 17.159 ( -1.262 -0.516 0.398) 1.420 17.165 ( 1.015 -1.010 0.399) 1.486 17.482 ( 1.606 2.739 -0.349) 3.195 17.509 ( -1.197 1.964 0.051) 2.301 17.557 ( -0.165 -2.241 1.012) 2.464 17.574 ( -1.237 -1.725 1.858) 2.821 17.659 ( -0.146 -0.700 0.659) 0.973 17.661 ( -0.761 -0.907 -0.937) 1.510 17.771 ( 1.264 0.156 -1.031) 1.639 17.775 ( 0.992 -0.228 -0.868) 1.338 18.937 ( -0.071 1.611 1.078) 1.940 18.980 ( 0.648 -2.465 0.886) 2.699 19.057 ( 1.972 0.347 -1.072) 2.271 19.067 ( 1.738 -0.660 -0.427) 1.908 19.287 ( -2.987 0.441 1.102) 3.214 19.301 ( -2.478 -0.974 1.503) 3.058 19.385 ( 1.000 0.463 -0.852) 1.393 19.400 ( 1.888 -1.050 -0.832) 2.315 27.796 ( -0.128 0.462 1.264) 1.352 27.803 ( -0.085 -0.421 0.843) 0.946 27.870 ( 0.229 -0.105 -0.859) 0.895 27.886 ( 0.091 -1.474 -0.381) 1.525 28.215 ( 0.332 1.061 0.399) 1.181 28.234 ( -0.411 -0.879 0.023) 0.971 28.479 ( -0.060 0.884 0.058) 0.888 28.504 ( -0.149 -1.556 -0.517) 1.646 28.687 ( 0.259 5.586 1.021) 5.684 28.788 ( 0.369 -4.460 0.524) 4.505 28.875 ( -0.515 3.114 -1.532) 3.509 28.921 ( 0.297 -1.257 -2.424) 2.747 29.681 ( -1.069 4.105 -6.977) 8.165 29.743 ( -1.019 -1.792 -9.300) 9.526 30.254 ( 3.287 4.696 -13.668) 14.821 30.313 ( 1.817 -1.283 -10.039) 10.282 31.311 ( -0.596 3.826 11.999) 12.608 31.401 ( -1.315 -5.091 13.791) 14.760 31.786 ( -0.049 4.113 -2.927) 5.048 31.873 ( -0.536 -4.325 -2.964) 5.270 32.183 ( -2.023 4.578 14.893) 15.712 32.307 ( -2.870 -8.173 21.793) 23.451 33.486 ( 1.864 16.989 -5.562) 17.973 33.834 ( 1.089 -17.503 -8.817) 19.628 35.530 ( 1.223 0.661 -0.667) 1.542 35.553 ( -2.905 -1.675 -0.439) 3.382 35.846 ( 0.383 3.872 0.904) 3.995 35.923 ( 1.062 -3.689 0.439) 3.864 36.307 ( 2.158 6.586 4.233) 8.121 36.447 ( 0.120 -7.158 3.166) 7.828 36.586 ( -1.299 10.870 -2.896) 11.324 36.804 ( -0.297 -10.682 -4.670) 11.662 ======================= Grid point 68 (36/64) ======================= q-point: ( 0.17 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -3.244 22.193 6.227) 23.277 1.842 ( 1.472 -11.296 5.756) 12.764 1.899 ( 5.875 12.203 9.835) 16.738 2.075 ( 0.034 -2.404 2.151) 3.226 2.190 ( 6.033 -0.876 2.211) 6.485 2.337 ( 7.984 -8.931 5.096) 13.019 2.494 ( -2.768 3.857 -8.694) 9.906 2.512 ( -3.857 3.132 -5.310) 7.272 2.604 ( -3.995 5.296 1.545) 6.811 2.647 ( -3.892 -0.937 0.929) 4.109 2.771 ( -1.061 10.214 -3.792) 10.947 2.817 ( -1.417 9.223 2.100) 9.564 2.997 ( -1.434 -2.358 0.533) 2.811 3.010 ( -0.002 0.827 3.875) 3.962 3.089 ( 1.865 -0.674 2.761) 3.399 3.111 ( -2.919 4.273 1.336) 5.344 3.145 ( -1.973 -3.048 2.475) 4.394 3.184 ( 1.875 1.662 0.435) 2.543 3.248 ( -1.233 -3.095 -1.754) 3.765 3.275 ( -0.332 -3.816 4.308) 5.765 3.330 ( 0.203 0.639 1.083) 1.273 3.355 ( -1.473 1.331 0.538) 2.057 3.384 ( 0.894 2.508 -0.145) 2.666 3.462 ( -0.346 -2.404 2.813) 3.717 3.619 ( 2.625 -1.174 -1.204) 3.117 3.674 ( 0.803 -4.681 -0.996) 4.852 3.717 ( 6.023 -0.310 1.427) 6.197 3.753 ( 3.249 -2.550 -2.853) 5.020 3.819 ( 1.575 2.095 4.673) 5.358 3.867 ( 1.800 -0.526 4.699) 5.059 4.003 ( -0.761 0.248 -1.035) 1.309 4.049 ( -3.578 2.626 -6.743) 8.072 4.099 ( 1.330 -0.338 -0.056) 1.373 4.232 ( -0.602 -7.188 -2.293) 7.568 4.327 ( -1.310 0.538 -3.760) 4.017 4.368 ( -2.487 -1.169 -2.222) 3.534 4.609 ( -4.619 -0.227 0.996) 4.731 4.632 ( -2.205 -2.409 1.173) 3.471 4.720 ( -0.770 1.363 -6.652) 6.833 4.762 ( 1.291 -1.490 -2.581) 3.248 4.823 ( -1.767 2.956 -2.265) 4.122 4.885 ( -1.811 -2.575 -1.140) 3.349 5.002 ( -0.395 3.121 -4.440) 5.441 5.017 ( -0.248 3.230 -1.932) 3.772 5.069 ( 0.815 -0.020 1.119) 1.385 5.104 ( 0.726 -2.575 3.458) 4.372 5.131 ( -0.099 -0.110 4.207) 4.210 5.175 ( -0.240 -2.503 1.859) 3.127 5.465 ( -0.990 6.631 -5.018) 8.375 5.496 ( -1.490 2.695 -4.216) 5.221 5.551 ( 2.425 0.133 -2.029) 3.164 5.576 ( 3.884 -2.349 -2.251) 5.067 5.681 ( -1.908 3.332 2.228) 4.439 5.753 ( -0.340 -1.852 -0.526) 1.956 5.862 ( -0.476 2.109 -1.288) 2.517 5.932 ( -0.151 -4.202 -1.682) 4.528 6.060 ( 0.432 2.653 -1.210) 2.947 6.106 ( 0.409 -1.369 -2.187) 2.612 6.191 ( -0.512 3.640 3.299) 4.939 6.278 ( 0.044 -4.104 -0.316) 4.117 6.369 ( 2.581 8.585 5.491) 10.513 6.518 ( 0.789 -3.216 6.908) 7.660 6.718 ( 1.729 1.815 -4.180) 4.874 6.827 ( -0.120 -6.170 -1.878) 6.450 6.955 ( 0.190 5.641 3.209) 6.492 7.047 ( -0.358 -3.152 2.256) 3.893 7.394 ( 0.599 1.698 -0.281) 1.822 7.444 ( 0.270 -1.993 1.257) 2.372 7.763 ( -0.360 3.614 1.097) 3.794 7.836 ( -1.269 -2.433 3.213) 4.225 7.942 ( -1.341 0.120 -0.997) 1.675 7.968 ( -1.450 -1.754 0.092) 2.278 12.019 ( -3.497 2.965 -0.118) 4.587 12.056 ( -3.808 0.427 0.117) 3.834 12.165 ( 0.294 -0.856 -0.041) 0.906 12.203 ( 0.048 -3.443 0.170) 3.447 12.389 ( -1.317 -0.009 0.227) 1.337 12.393 ( -0.294 -0.404 0.412) 0.648 12.739 ( 2.616 1.193 0.072) 2.876 12.756 ( 3.016 -0.389 -0.106) 3.042 13.880 ( 0.066 1.037 2.641) 2.838 13.902 ( 0.177 -0.985 2.209) 2.425 14.083 ( -0.217 3.018 -2.103) 3.685 14.140 ( -0.091 0.301 -1.331) 1.368 14.145 ( 0.127 -0.826 -0.754) 1.125 14.199 ( 0.244 -3.100 -1.015) 3.271 14.393 ( -0.438 1.214 0.189) 1.304 14.422 ( -0.340 -1.571 -0.699) 1.753 16.628 ( -2.238 1.062 0.245) 2.490 16.650 ( -2.240 -1.048 0.279) 2.489 16.722 ( -4.596 1.317 -0.639) 4.824 16.742 ( -3.885 -0.772 -0.804) 4.042 17.061 ( -0.702 1.625 0.763) 1.928 17.075 ( -0.128 0.202 -0.098) 0.258 17.211 ( 4.806 0.972 0.223) 4.908 17.236 ( 4.919 -1.343 0.409) 5.116 17.474 ( -1.760 2.936 -0.126) 3.425 17.502 ( -0.098 1.348 -0.137) 1.358 17.549 ( 0.230 -1.047 0.923) 1.415 17.577 ( 0.767 -1.945 1.373) 2.501 17.636 ( -1.437 -0.277 -0.429) 1.525 17.650 ( -0.792 -1.955 0.395) 2.146 17.801 ( 1.500 0.297 -1.103) 1.885 17.804 ( 1.795 -0.101 -0.856) 1.992 18.932 ( -0.491 1.657 0.808) 1.908 18.981 ( -0.797 -3.071 0.880) 3.293 19.078 ( 0.221 0.117 -1.834) 1.851 19.088 ( 0.144 -0.698 -1.428) 1.596 19.236 ( -1.498 0.270 1.683) 2.269 19.252 ( -1.659 -1.270 1.693) 2.689 19.454 ( 5.035 1.101 -0.130) 5.156 19.477 ( 4.949 -1.132 -0.441) 5.096 27.790 ( -0.533 0.470 1.095) 1.305 27.799 ( -0.214 -0.478 0.836) 0.987 27.884 ( 1.107 -0.100 -0.676) 1.301 27.897 ( 0.817 -1.381 -0.433) 1.662 28.185 ( -2.610 1.451 0.221) 2.995 28.217 ( -1.774 -1.684 0.164) 2.452 28.485 ( 0.548 0.845 0.047) 1.008 28.503 ( -0.033 -0.869 -0.327) 0.929 28.685 ( -0.397 5.555 1.138) 5.684 28.787 ( -0.601 -4.594 0.468) 4.657 28.885 ( 1.684 4.100 -2.007) 4.865 28.945 ( 2.241 -1.732 -2.867) 4.030 29.646 ( -1.535 5.066 -7.622) 9.280 29.716 ( -0.827 -2.075 -8.508) 8.796 30.286 ( 0.702 3.162 -11.271) 11.727 30.324 ( 0.030 -0.582 -8.967) 8.986 31.308 ( -0.601 2.555 12.378) 12.653 31.369 ( -3.063 -3.426 15.950) 16.598 31.812 ( 2.736 3.669 -2.209) 5.082 31.888 ( 2.256 -3.830 -3.172) 5.460 32.137 ( -3.455 5.001 13.858) 15.132 32.250 ( -3.777 -6.285 18.018) 19.453 33.465 ( -3.600 16.055 -5.767) 17.435 33.790 ( -4.352 -16.148 -8.934) 18.961 35.531 ( 1.157 1.814 -0.025) 2.152 35.573 ( 2.720 -2.509 -0.945) 3.819 35.858 ( 0.576 3.680 0.716) 3.793 35.929 ( -0.744 -3.358 0.542) 3.482 36.372 ( 3.214 2.250 5.753) 6.963 36.440 ( -0.908 -3.193 2.772) 4.325 36.599 ( 2.912 8.007 -3.945) 9.389 36.798 ( 0.113 -10.457 -5.058) 11.616 ======================= Grid point 69 (37/64) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -2.590 23.150 2.554) 23.434 1.851 ( -1.022 -19.257 2.171) 19.406 2.006 ( 3.945 9.162 2.860) 10.378 2.091 ( 1.525 2.257 -2.528) 3.716 2.304 ( -3.128 4.621 -12.730) 13.899 2.354 ( 0.484 3.502 -3.591) 5.039 2.413 ( -4.712 0.926 -6.895) 8.402 2.489 ( -3.163 -0.045 -0.025) 3.164 2.526 ( -0.704 -4.331 10.543) 11.420 2.546 ( -0.776 -2.951 0.300) 3.066 2.706 ( -4.578 14.048 2.367) 14.964 2.810 ( 0.152 4.992 -0.613) 5.032 2.930 ( -3.316 2.240 3.569) 5.362 2.970 ( -4.910 -1.297 3.499) 6.167 3.062 ( -3.369 2.064 0.950) 4.064 3.100 ( -1.532 -0.189 1.392) 2.078 3.154 ( 1.488 0.360 2.249) 2.720 3.185 ( -0.737 3.725 4.022) 5.531 3.207 ( -0.519 -3.133 -3.431) 4.675 3.311 ( 0.918 -5.549 1.400) 5.797 3.333 ( 1.638 -0.598 -0.990) 2.005 3.336 ( 1.260 -1.226 -2.166) 2.790 3.426 ( 2.874 3.995 0.744) 4.977 3.529 ( 4.095 -2.883 0.265) 5.015 3.652 ( 0.662 -1.793 -2.013) 2.776 3.699 ( 2.264 -3.566 -1.460) 4.469 3.785 ( 0.833 -0.896 4.238) 4.411 3.797 ( 1.517 -0.389 1.286) 2.026 3.882 ( 0.911 2.052 -0.341) 2.271 3.934 ( 2.425 -0.500 0.952) 2.653 4.021 ( 4.134 1.242 -0.689) 4.371 4.031 ( 3.632 3.749 -0.987) 5.312 4.122 ( 0.552 0.554 0.611) 0.992 4.225 ( -1.459 -6.010 1.483) 6.360 4.313 ( -0.378 1.580 1.702) 2.353 4.338 ( 2.006 -1.443 3.028) 3.908 4.515 ( -3.868 -0.882 0.990) 4.089 4.566 ( -3.363 -5.813 -2.007) 7.009 4.689 ( -2.853 2.315 -3.231) 4.893 4.749 ( -3.741 -2.741 -4.276) 6.308 4.817 ( 2.461 4.501 1.252) 5.280 4.898 ( 2.874 -2.737 3.491) 5.286 4.971 ( -2.181 3.579 -3.927) 5.743 5.009 ( 0.011 1.250 -3.723) 3.928 5.088 ( 0.454 -0.803 3.081) 3.216 5.117 ( -0.057 -2.639 3.251) 4.187 5.128 ( 0.180 1.462 3.778) 4.055 5.174 ( 0.014 -2.370 2.033) 3.123 5.431 ( -0.969 5.082 -3.090) 6.026 5.476 ( -0.582 1.100 -2.324) 2.636 5.605 ( 2.418 1.382 -2.340) 3.638 5.632 ( 1.128 -1.013 1.366) 2.041 5.667 ( 0.642 3.656 1.076) 3.865 5.749 ( -0.440 -2.328 2.409) 3.379 5.869 ( 1.242 3.010 -3.614) 4.864 5.942 ( 1.367 -3.989 -3.696) 5.607 6.059 ( -0.421 1.933 0.197) 1.988 6.101 ( -0.672 -2.159 -1.568) 2.752 6.197 ( 0.535 4.591 1.986) 5.031 6.287 ( 0.555 -3.694 -1.441) 4.004 6.404 ( 0.624 7.407 3.329) 8.144 6.518 ( -0.944 -0.704 2.494) 2.758 6.740 ( 1.005 -0.352 -5.127) 5.237 6.814 ( -1.071 -5.426 -3.483) 6.536 6.961 ( 0.154 4.814 2.243) 5.313 7.043 ( -0.183 -2.931 1.284) 3.206 7.395 ( -0.416 1.816 -0.543) 1.941 7.444 ( -0.381 -1.889 0.623) 2.025 7.760 ( 0.029 2.995 1.162) 3.213 7.815 ( -0.833 -1.380 2.655) 3.106 7.908 ( -1.662 0.873 -0.901) 2.083 7.938 ( -1.427 -1.720 -0.053) 2.235 11.960 ( -2.220 2.298 -0.061) 3.196 11.980 ( -3.419 0.776 0.021) 3.506 12.159 ( -0.753 -0.948 0.151) 1.220 12.184 ( -1.336 -3.016 -0.143) 3.302 12.379 ( 0.088 0.613 0.570) 0.842 12.398 ( 0.507 -1.348 0.293) 1.470 12.789 ( 2.075 1.474 0.174) 2.551 12.809 ( 2.176 -0.449 -0.273) 2.239 13.878 ( -0.472 1.149 2.070) 2.414 13.901 ( -0.379 -1.036 1.740) 2.060 14.081 ( 0.100 2.732 -2.017) 3.398 14.133 ( -0.376 -1.006 -2.913) 3.104 14.151 ( 0.419 1.049 0.595) 1.277 14.208 ( 0.628 -3.079 -0.562) 3.192 14.390 ( 0.096 1.137 0.946) 1.482 14.420 ( 0.204 -1.742 -0.017) 1.754 16.571 ( -2.997 0.419 -0.010) 3.026 16.581 ( -3.742 -0.536 -0.107) 3.782 16.664 ( -1.403 1.314 -0.450) 1.974 16.684 ( -1.967 -0.639 -0.428) 2.112 17.050 ( -0.431 1.785 0.799) 2.002 17.076 ( 0.055 -0.831 0.009) 0.832 17.297 ( 3.602 1.367 0.211) 3.858 17.322 ( 3.425 -0.936 0.347) 3.567 17.447 ( -1.020 2.820 -0.132) 3.002 17.484 ( -1.266 -0.491 -0.443) 1.428 17.572 ( 1.432 0.264 1.240) 1.913 17.590 ( 0.270 -0.425 1.390) 1.479 17.613 ( -0.633 -0.499 0.232) 0.839 17.636 ( -0.489 -3.055 0.463) 3.128 17.821 ( 0.621 0.805 -1.834) 2.097 17.830 ( 0.772 -0.113 -1.483) 1.676 18.921 ( -0.647 1.079 0.191) 1.272 18.951 ( -1.953 -1.692 -0.283) 2.600 19.071 ( -1.016 -0.215 -2.989) 3.164 19.080 ( -0.066 -1.322 -2.581) 2.901 19.230 ( 0.408 0.203 2.721) 2.759 19.244 ( 0.212 -1.246 3.092) 3.340 19.545 ( 3.642 0.978 0.163) 3.775 19.561 ( 3.227 -0.652 -0.382) 3.314 27.782 ( -0.330 0.704 1.023) 1.285 27.799 ( 0.107 -1.036 0.895) 1.373 27.905 ( 1.016 -0.197 -0.670) 1.233 27.910 ( 0.480 -0.881 -0.681) 1.212 28.140 ( -1.666 1.112 0.148) 2.008 28.171 ( -2.562 -2.034 0.319) 3.287 28.493 ( 0.122 0.824 0.125) 0.842 28.500 ( -0.110 0.319 0.178) 0.381 28.679 ( -0.237 4.987 0.954) 5.083 28.771 ( -0.931 -3.929 0.181) 4.042 28.925 ( 2.247 4.280 -2.539) 5.460 28.988 ( 2.044 -1.404 -3.986) 4.694 29.622 ( -0.238 5.902 -6.590) 8.850 29.703 ( 0.252 -2.331 -8.280) 8.606 30.269 ( -1.396 2.320 -6.184) 6.751 30.298 ( -1.903 -0.363 -5.813) 6.127 31.313 ( 0.200 0.532 12.746) 12.759 31.325 ( -2.388 -0.526 15.858) 16.045 31.872 ( 2.996 3.411 -0.992) 4.647 31.943 ( 3.028 -3.430 -1.982) 4.986 32.096 ( -1.342 5.059 11.703) 12.820 32.210 ( -1.580 -5.889 14.769) 15.978 33.361 ( -5.468 16.670 -7.918) 19.248 33.679 ( -5.444 -15.014 -10.454) 19.088 35.590 ( 4.512 1.352 0.727) 4.766 35.630 ( 2.923 -2.419 -0.242) 3.802 35.858 ( -0.980 2.151 -0.085) 2.365 35.896 ( -2.352 -1.742 0.593) 2.987 36.407 ( -0.354 0.803 5.887) 5.952 36.426 ( -0.434 0.829 2.031) 2.236 36.675 ( 4.380 1.097 -4.277) 6.219 36.798 ( 0.261 -8.750 -5.014) 10.088 ======================= Grid point 70 (38/64) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -0.723 22.185 0.309) 22.199 1.809 ( -3.692 -16.490 -1.736) 16.987 1.983 ( -4.835 8.183 -1.797) 9.673 2.109 ( -8.878 5.603 -18.845) 21.572 2.162 ( 5.116 2.223 -6.692) 8.712 2.321 ( -2.537 -6.478 -9.504) 11.778 2.353 ( -5.776 2.586 2.713) 6.886 2.427 ( -1.575 -1.839 -1.072) 2.648 2.552 ( 6.953 4.303 7.467) 11.074 2.645 ( -0.516 11.579 6.092) 13.094 2.658 ( 4.292 -2.308 5.858) 7.620 2.816 ( -0.714 0.799 -0.638) 1.247 2.888 ( -0.426 4.117 2.436) 4.802 2.912 ( -0.985 4.364 0.063) 4.475 2.978 ( -3.042 0.130 0.386) 3.069 3.026 ( -4.645 -3.865 1.403) 6.203 3.164 ( -0.847 4.462 4.321) 6.269 3.194 ( 1.625 1.626 1.885) 2.972 3.236 ( 1.209 1.132 -3.406) 3.787 3.306 ( -1.080 -6.083 -1.043) 6.265 3.371 ( 2.268 0.131 -1.484) 2.714 3.383 ( 2.522 -0.292 -2.444) 3.524 3.461 ( 0.260 -1.712 -0.654) 1.851 3.528 ( -3.304 -3.961 -4.303) 6.717 3.664 ( 0.499 1.276 -0.302) 1.403 3.752 ( -2.852 -2.337 -0.221) 3.694 3.773 ( 4.333 -2.068 0.756) 4.861 3.838 ( 2.026 -1.841 3.189) 4.203 3.890 ( 1.769 2.466 0.765) 3.130 3.931 ( -1.833 1.469 3.091) 3.882 4.058 ( -3.847 2.589 -0.220) 4.643 4.070 ( -2.388 -0.180 -1.201) 2.679 4.162 ( 5.207 1.051 4.098) 6.709 4.239 ( 4.514 -4.269 2.143) 6.573 4.368 ( 3.555 2.300 5.939) 7.294 4.391 ( 2.560 -0.134 6.229) 6.736 4.500 ( 2.194 -1.961 4.322) 5.228 4.536 ( 0.947 -4.602 -1.219) 4.854 4.628 ( -1.971 0.588 -3.063) 3.690 4.665 ( -4.183 -2.339 -2.921) 5.612 4.855 ( 0.761 3.077 -1.226) 3.398 4.920 ( -1.814 -1.088 -1.300) 2.483 4.963 ( 2.188 2.422 1.004) 3.415 5.019 ( 0.767 0.312 -0.204) 0.853 5.087 ( -0.479 -1.303 4.490) 4.700 5.115 ( -0.513 -2.054 2.973) 3.650 5.149 ( 1.451 1.339 2.301) 3.032 5.184 ( 1.284 -1.886 1.608) 2.791 5.424 ( 0.188 4.179 -2.133) 4.695 5.464 ( -0.518 0.148 -1.301) 1.408 5.621 ( -0.609 1.298 -2.878) 3.216 5.643 ( -0.226 -0.195 -0.612) 0.681 5.681 ( 0.799 3.397 2.885) 4.528 5.751 ( 0.972 -1.732 4.570) 4.983 5.896 ( 1.702 3.911 -4.387) 6.119 5.975 ( 2.183 -2.878 -3.793) 5.238 6.051 ( -0.317 1.296 0.884) 1.601 6.086 ( -0.707 -1.920 -0.742) 2.176 6.199 ( -0.578 4.532 0.640) 4.614 6.281 ( -1.227 -2.261 -2.973) 3.932 6.405 ( -0.446 3.664 1.613) 4.028 6.484 ( -2.779 -1.120 0.191) 3.003 6.751 ( 0.447 -1.234 -5.869) 6.014 6.788 ( -0.839 -2.915 -4.206) 5.186 6.963 ( -0.193 4.796 2.068) 5.227 7.042 ( -0.009 -2.802 0.949) 2.958 7.381 ( -0.817 2.182 -0.663) 2.422 7.432 ( -0.676 -2.032 -0.422) 2.183 7.761 ( -0.133 2.956 1.363) 3.258 7.811 ( 0.048 -1.020 2.282) 2.500 7.890 ( 0.028 1.171 -1.127) 1.625 7.924 ( 0.219 -1.742 0.250) 1.773 11.938 ( -0.660 1.646 -0.011) 1.773 11.943 ( 0.550 1.297 -0.037) 1.410 12.148 ( -0.163 -0.878 0.240) 0.925 12.171 ( 0.250 -3.040 -0.312) 3.066 12.382 ( -0.044 0.656 0.712) 0.970 12.404 ( -0.075 -1.537 0.182) 1.550 12.810 ( -0.033 1.659 0.254) 1.678 12.832 ( 0.143 -0.480 -0.297) 0.582 13.868 ( -0.649 1.168 1.511) 2.017 13.893 ( -0.557 -1.216 1.267) 1.842 14.082 ( 0.258 2.367 -2.154) 3.211 14.125 ( -0.124 -0.875 -2.998) 3.126 14.159 ( 0.278 1.639 1.155) 2.024 14.220 ( 0.506 -3.207 -0.282) 3.259 14.396 ( 0.442 1.157 1.425) 1.888 14.429 ( 0.537 -1.833 0.479) 1.969 16.536 ( -0.110 0.408 -0.033) 0.424 16.546 ( 0.503 -0.736 -0.247) 0.925 16.652 ( -0.127 0.788 -0.430) 0.906 16.659 ( -0.459 0.061 -0.436) 0.636 17.046 ( -0.086 1.815 0.769) 1.973 17.078 ( 0.137 -1.262 0.052) 1.270 17.340 ( 0.510 1.377 0.396) 1.521 17.355 ( -0.169 0.301 0.283) 0.446 17.436 ( -0.272 1.591 -0.128) 1.619 17.462 ( -0.567 -0.681 -0.812) 1.203 17.588 ( 0.105 -0.027 1.437) 1.441 17.593 ( 0.012 -0.186 1.194) 1.208 17.620 ( 1.144 -0.654 1.151) 1.749 17.637 ( 0.345 -2.545 1.011) 2.761 17.819 ( -0.690 1.022 -2.642) 2.916 17.830 ( -0.627 -0.129 -2.172) 2.265 18.911 ( -0.299 0.213 -0.430) 0.565 18.920 ( -0.908 -0.649 -0.931) 1.454 19.050 ( -0.785 0.462 -2.960) 3.097 19.070 ( -0.799 -1.543 -2.984) 3.453 19.250 ( 1.011 -0.447 3.245) 3.428 19.256 ( 0.882 -1.017 3.245) 3.514 19.578 ( -0.387 0.964 0.115) 1.045 19.590 ( -0.295 -0.257 -0.486) 0.624 27.780 ( 0.036 0.759 1.107) 1.343 27.800 ( -0.157 -1.338 0.755) 1.544 27.911 ( -0.305 -0.062 -0.761) 0.822 27.919 ( 0.362 -0.590 -0.670) 0.964 28.132 ( 0.277 -0.493 0.272) 0.628 28.134 ( -0.313 -0.910 0.244) 0.992 28.494 ( 0.157 1.119 0.430) 1.209 28.501 ( 0.020 0.426 0.270) 0.505 28.676 ( -0.252 4.636 0.707) 4.697 28.759 ( -0.197 -3.532 0.057) 3.538 28.953 ( 0.534 3.936 -2.702) 4.804 29.006 ( -0.005 -0.641 -4.646) 4.690 29.626 ( 1.114 6.287 -5.791) 8.620 29.716 ( 1.705 -2.512 -8.385) 8.918 30.231 ( -2.038 2.176 -3.266) 4.422 30.259 ( -1.175 -0.403 -4.124) 4.307 31.305 ( -0.955 1.688 14.321) 14.452 31.338 ( 1.126 -1.504 12.669) 12.808 31.903 ( -0.090 3.834 -0.462) 3.863 31.979 ( 0.470 -3.065 -0.404) 3.127 32.108 ( 1.267 3.739 11.642) 12.294 32.213 ( 0.524 -5.869 14.106) 15.287 33.286 ( -0.728 17.109 -9.751) 19.706 33.601 ( -0.852 -14.275 -12.191) 18.792 35.660 ( -0.434 0.491 0.927) 1.136 35.680 ( 3.362 -1.365 1.788) 4.045 35.827 ( -0.921 1.082 -0.981) 1.727 35.860 ( -1.206 -1.824 -0.027) 2.187 36.381 ( -2.304 2.503 3.868) 5.151 36.423 ( -0.199 0.209 2.561) 2.577 36.728 ( 0.881 -1.682 -3.953) 4.385 36.803 ( 0.809 -7.074 -4.477) 8.411 ======================= Grid point 71 (39/64) ======================= q-point: (-0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 1.490 20.778 1.739) 20.904 1.711 ( -4.509 -0.086 -3.085) 5.464 1.902 ( -3.986 -0.357 2.548) 4.744 2.004 ( 0.241 2.410 -13.503) 13.718 2.184 ( -3.752 -5.347 1.841) 6.787 2.233 ( -4.357 -5.207 0.015) 6.789 2.346 ( 5.597 6.765 -6.083) 10.682 2.469 ( 5.144 -3.438 -3.647) 7.182 2.636 ( 0.072 10.294 7.579) 12.784 2.656 ( 0.789 6.810 0.326) 6.863 2.724 ( 0.514 -0.583 2.327) 2.453 2.818 ( 2.337 0.097 -2.005) 3.080 2.864 ( -1.653 3.135 -2.119) 4.129 2.899 ( 0.825 6.567 3.034) 7.281 2.972 ( -0.482 -4.845 -0.736) 4.924 3.017 ( 4.077 -1.010 1.369) 4.417 3.155 ( 0.440 1.949 1.149) 2.305 3.199 ( -1.735 2.756 -0.742) 3.340 3.230 ( -0.624 3.798 -1.314) 4.067 3.310 ( 2.033 -0.920 -0.003) 2.232 3.355 ( -3.120 -3.328 -2.125) 5.032 3.420 ( 1.309 -6.141 0.408) 6.292 3.473 ( 0.990 -0.554 0.550) 1.261 3.480 ( -0.971 -0.636 1.884) 2.212 3.620 ( -4.901 1.627 -2.446) 5.714 3.727 ( -0.641 -4.288 -0.847) 4.418 3.813 ( -2.639 1.016 -0.125) 2.830 3.841 ( 1.242 -1.971 4.560) 5.121 3.905 ( -3.060 2.244 7.526) 8.429 3.951 ( 1.826 -1.466 3.689) 4.369 3.970 ( -0.309 1.800 -3.514) 3.960 4.030 ( -2.184 -1.310 1.574) 2.994 4.218 ( 0.679 -0.128 0.886) 1.123 4.295 ( 0.510 -6.327 -0.807) 6.398 4.397 ( -1.322 5.089 2.748) 5.933 4.473 ( 4.931 3.561 7.650) 9.773 4.552 ( -0.899 -6.042 -2.673) 6.668 4.558 ( 1.453 -0.801 3.696) 4.051 4.630 ( 4.085 1.098 -4.997) 6.547 4.674 ( 6.372 -3.661 -1.845) 7.576 4.850 ( -0.893 1.608 -1.793) 2.568 4.882 ( -2.363 -0.845 2.015) 3.219 4.987 ( 0.155 2.189 -0.601) 2.275 5.020 ( -0.451 1.210 -1.135) 1.719 5.087 ( 0.152 -0.972 3.389) 3.529 5.102 ( -0.621 -2.087 2.012) 2.965 5.163 ( -0.228 1.966 1.551) 2.514 5.224 ( 1.518 -2.940 0.825) 3.410 5.431 ( 0.855 3.884 -2.678) 4.795 5.461 ( 0.580 0.375 -1.964) 2.082 5.576 ( -3.204 0.046 -4.210) 5.291 5.590 ( -4.117 -1.317 -5.199) 6.761 5.738 ( 3.722 5.011 6.663) 9.130 5.806 ( 3.691 -0.790 7.065) 8.010 5.917 ( 0.211 5.141 -3.005) 5.958 6.016 ( 1.735 -3.067 -2.263) 4.188 6.052 ( 0.374 2.022 0.338) 2.084 6.076 ( 0.220 -0.377 -1.514) 1.576 6.178 ( -1.218 2.727 1.063) 3.170 6.236 ( -2.832 -0.868 -2.839) 4.103 6.394 ( -1.390 -1.125 -1.187) 2.146 6.417 ( -3.204 -1.269 2.372) 4.184 6.738 ( -1.138 0.549 -4.550) 4.723 6.788 ( 0.934 -2.691 -3.677) 4.651 6.959 ( -0.375 5.343 2.741) 6.017 7.044 ( 0.135 -2.759 1.368) 3.083 7.368 ( -0.446 2.341 -0.450) 2.425 7.422 ( -0.187 -2.170 -0.984) 2.390 7.760 ( -0.025 3.104 1.423) 3.414 7.817 ( 0.486 -1.916 2.568) 3.241 7.906 ( 1.450 1.625 -1.549) 2.672 7.946 ( 1.732 -1.819 0.650) 2.594 11.955 ( 2.296 2.451 -0.113) 3.360 11.982 ( 3.295 0.264 -0.004) 3.306 12.155 ( 0.684 -0.427 0.024) 0.807 12.189 ( 1.305 -3.315 0.012) 3.563 12.378 ( -0.182 0.454 0.544) 0.732 12.396 ( -0.551 -1.310 0.268) 1.446 12.789 ( -2.010 1.760 0.150) 2.676 12.813 ( -2.017 -0.536 -0.149) 2.092 13.860 ( -0.250 1.112 1.540) 1.915 13.885 ( -0.272 -1.369 1.229) 1.860 14.087 ( 0.395 2.066 -2.093) 2.967 14.124 ( 0.263 -0.820 -2.551) 2.692 14.160 ( -0.257 1.937 1.062) 2.224 14.224 ( -0.059 -3.373 -0.427) 3.400 14.406 ( 0.352 1.253 1.206) 1.774 14.438 ( 0.340 -1.770 0.319) 1.831 16.575 ( 3.940 0.908 0.127) 4.046 16.592 ( 3.761 -0.754 0.130) 3.838 16.656 ( 0.866 0.779 -0.487) 1.263 16.668 ( 1.352 -0.376 -0.920) 1.678 17.046 ( 0.121 1.999 0.672) 2.112 17.082 ( 0.207 -1.352 0.204) 1.383 17.305 ( -3.628 1.306 0.404) 3.877 17.324 ( -3.300 -0.348 0.394) 3.341 17.433 ( 0.421 2.363 -0.392) 2.432 17.472 ( 1.286 -1.029 -0.589) 1.749 17.587 ( -0.296 -0.065 1.644) 1.671 17.598 ( 0.339 -0.999 1.936) 2.205 17.640 ( 0.421 -0.593 0.672) 0.990 17.647 ( 0.896 -1.295 1.008) 1.870 17.794 ( -1.414 0.825 -2.710) 3.166 17.805 ( -1.571 -0.253 -2.500) 2.963 18.909 ( 0.424 0.628 -0.025) 0.758 18.924 ( 1.246 -0.812 -0.399) 1.540 19.035 ( -0.525 0.300 -2.699) 2.766 19.049 ( -0.962 -1.083 -3.078) 3.402 19.266 ( 0.763 0.102 2.742) 2.848 19.285 ( 1.461 -1.641 3.277) 3.945 19.532 ( -4.130 1.148 -0.275) 4.295 19.549 ( -3.785 -0.514 -0.699) 3.883 27.785 ( 0.337 0.480 1.241) 1.373 27.796 ( -0.124 -0.880 0.695) 1.128 27.897 ( -0.994 0.215 -0.913) 1.366 27.915 ( -0.736 -1.389 -0.511) 1.653 28.138 ( 1.551 1.206 0.133) 1.969 28.173 ( 2.764 -2.245 0.344) 3.577 28.498 ( -0.279 0.710 0.224) 0.795 28.502 ( 0.462 0.349 0.223) 0.620 28.672 ( -0.108 5.129 0.696) 5.177 28.763 ( 0.576 -3.943 0.012) 3.985 28.939 ( -1.583 3.265 -1.958) 4.123 28.982 ( -1.872 -0.582 -4.209) 4.643 29.654 ( 2.169 6.622 -6.492) 9.524 29.746 ( 1.837 -2.482 -8.765) 9.293 30.197 ( -0.757 3.813 -4.608) 6.029 30.253 ( 0.851 -1.522 -5.562) 5.829 31.305 ( -0.313 3.138 12.795) 13.178 31.372 ( 1.204 -3.406 12.470) 12.983 31.871 ( -2.728 4.448 -1.356) 5.391 31.960 ( -2.166 -3.815 -0.794) 4.458 32.149 ( 1.694 3.311 13.492) 13.995 32.249 ( 1.870 -6.105 18.035) 19.132 33.322 ( 4.742 17.090 -9.797) 20.261 33.639 ( 5.503 -14.347 -12.058) 19.532 35.604 ( -4.241 3.365 0.790) 5.471 35.696 ( -2.043 -5.600 1.741) 6.210 35.833 ( 0.709 1.484 -0.629) 1.761 35.865 ( 1.848 -1.794 -0.443) 2.614 36.333 ( -2.629 4.865 2.226) 5.962 36.424 ( 0.134 -2.597 2.947) 3.931 36.704 ( -2.604 1.539 -2.867) 4.168 36.816 ( 0.564 -8.014 -4.234) 9.081 ======================= Grid point 72 (40/64) ======================= q-point: (-0.17 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 3.776 19.769 7.123) 21.350 1.680 ( 1.394 10.993 4.239) 11.864 1.846 ( -1.823 -3.462 6.005) 7.167 2.040 ( 2.454 -5.773 -4.934) 7.981 2.106 ( -3.040 -2.981 5.712) 7.124 2.181 ( -1.062 -5.352 1.607) 5.688 2.458 ( 4.742 5.941 -8.011) 11.043 2.553 ( 2.315 -1.063 -3.057) 3.980 2.635 ( 0.077 2.457 0.467) 2.502 2.654 ( -0.249 8.043 4.116) 9.039 2.723 ( 2.228 6.023 1.666) 6.635 2.827 ( -1.471 8.945 -6.830) 11.350 2.867 ( 2.464 -3.623 -1.365) 4.589 2.965 ( 4.455 7.318 3.839) 9.388 3.009 ( 4.412 -5.520 -1.697) 7.267 3.086 ( 2.588 -2.600 1.447) 3.943 3.146 ( -0.838 1.401 0.055) 1.633 3.181 ( -0.777 -1.494 -0.301) 1.710 3.249 ( 2.518 4.862 1.476) 5.671 3.317 ( -1.597 0.827 3.314) 3.770 3.348 ( 0.943 -2.821 -1.780) 3.467 3.381 ( -3.724 -4.276 3.230) 6.526 3.470 ( -1.886 -0.308 1.830) 2.646 3.510 ( 1.863 -2.224 1.279) 3.170 3.532 ( -1.641 2.547 -2.235) 3.765 3.679 ( -2.422 -8.198 -0.911) 8.597 3.769 ( -4.170 2.984 1.477) 5.336 3.783 ( -6.721 0.826 3.448) 7.599 3.862 ( -0.965 -0.890 6.351) 6.486 3.918 ( -2.257 -1.633 1.710) 3.269 4.021 ( 2.349 0.332 0.666) 2.464 4.035 ( 1.321 0.830 0.288) 1.587 4.188 ( -3.199 -0.038 -1.097) 3.382 4.294 ( -0.174 -6.733 -3.924) 7.795 4.379 ( 0.279 2.160 -1.524) 2.659 4.453 ( -4.701 -3.299 -5.313) 7.824 4.581 ( 3.566 2.893 3.407) 5.718 4.624 ( 2.942 -2.215 3.349) 4.977 4.737 ( 5.253 1.692 -5.757) 7.975 4.779 ( 1.918 -2.301 -2.386) 3.830 4.824 ( -0.715 0.886 1.334) 1.754 4.850 ( 0.695 -1.038 -2.343) 2.656 4.984 ( 0.075 2.418 -1.420) 2.805 5.015 ( 0.522 1.282 -2.462) 2.825 5.089 ( -0.292 -0.212 1.852) 1.887 5.101 ( -0.164 -1.457 1.262) 1.934 5.144 ( -1.514 2.233 0.699) 2.787 5.218 ( -2.006 -3.621 -0.252) 4.147 5.452 ( 1.033 4.666 -4.401) 6.497 5.479 ( 0.891 0.747 -1.924) 2.248 5.511 ( -2.165 -0.874 -3.157) 3.927 5.531 ( -0.473 -1.716 -3.881) 4.270 5.792 ( 0.212 5.758 2.466) 6.268 5.852 ( -1.025 1.807 1.174) 2.386 5.901 ( -0.505 2.838 -0.339) 2.902 5.996 ( -2.648 -4.418 0.048) 5.151 6.049 ( -0.749 3.804 -5.757) 6.941 6.100 ( 0.840 0.915 0.580) 1.371 6.189 ( -0.673 -0.733 0.873) 1.324 6.215 ( 4.540 -1.614 4.520) 6.607 6.342 ( -2.040 0.569 1.554) 2.627 6.397 ( -0.016 -3.793 4.105) 5.589 6.709 ( -1.340 4.105 -3.021) 5.270 6.808 ( 1.193 -4.427 -1.827) 4.935 6.954 ( -0.351 5.920 3.666) 6.972 7.048 ( 0.118 -2.954 2.494) 3.868 7.366 ( 0.290 2.414 -0.174) 2.438 7.424 ( 0.369 -2.289 -0.454) 2.363 7.764 ( 0.300 3.342 1.399) 3.635 7.834 ( 0.911 -2.829 3.021) 4.238 7.934 ( 1.448 1.439 -1.701) 2.657 7.978 ( 1.187 -2.106 0.776) 2.539 12.017 ( 3.735 2.987 -0.100) 4.784 12.056 ( 3.760 0.142 0.036) 3.763 12.161 ( -0.237 -0.570 -0.127) 0.630 12.204 ( -0.293 -3.688 0.228) 3.706 12.383 ( 0.684 0.375 0.103) 0.786 12.397 ( 0.926 -0.876 0.478) 1.362 12.741 ( -2.611 1.460 0.101) 2.993 12.761 ( -3.080 -0.413 0.014) 3.107 13.862 ( 0.321 0.980 2.063) 2.307 13.885 ( 0.176 -1.312 1.596) 2.073 14.093 ( 0.246 2.137 -1.892) 2.865 14.130 ( 0.518 -0.713 -1.863) 2.061 14.152 ( -0.555 1.609 0.494) 1.772 14.216 ( -0.615 -3.488 -1.053) 3.695 14.409 ( -0.095 1.285 0.522) 1.390 14.440 ( -0.177 -1.594 -0.294) 1.631 16.640 ( 1.571 0.983 0.729) 1.991 16.660 ( 1.578 -0.922 0.734) 1.969 16.700 ( 5.075 1.806 -1.395) 5.564 16.731 ( 4.942 -1.293 -1.153) 5.237 17.053 ( 0.598 2.160 0.387) 2.275 17.086 ( 0.228 -0.853 0.291) 0.930 17.218 ( -4.898 0.814 0.386) 4.980 17.237 ( -5.216 -0.871 0.468) 5.309 17.452 ( 1.433 2.913 -0.441) 3.276 17.500 ( 1.459 -1.057 -0.106) 1.804 17.575 ( -1.219 -0.065 1.572) 1.991 17.595 ( -0.862 -1.034 2.224) 2.599 17.650 ( 0.728 -0.357 0.418) 0.912 17.663 ( 0.564 -1.327 -0.105) 1.445 17.769 ( -0.823 0.361 -2.021) 2.212 17.775 ( -0.944 -0.247 -1.747) 2.001 18.927 ( 1.026 1.485 1.021) 2.074 18.957 ( 1.695 -1.464 0.743) 2.359 19.031 ( 0.543 0.081 -2.233) 2.299 19.039 ( 0.621 -0.775 -2.302) 2.507 19.287 ( 1.220 0.595 2.221) 2.602 19.312 ( 1.000 -1.767 2.661) 3.347 19.435 ( -5.207 1.031 -0.908) 5.386 19.455 ( -5.243 -0.940 -1.101) 5.439 27.793 ( 0.320 0.358 1.292) 1.378 27.799 ( 0.278 -0.507 0.811) 0.996 27.877 ( -0.783 0.042 -0.955) 1.236 27.896 ( -0.953 -1.574 -0.434) 1.890 28.181 ( 2.467 1.828 0.135) 3.073 28.222 ( 1.834 -2.200 0.310) 2.881 28.488 ( -0.685 1.017 0.081) 1.229 28.508 ( -0.016 -0.955 -0.231) 0.983 28.676 ( 0.511 5.574 0.853) 5.662 28.777 ( 0.723 -4.395 0.159) 4.457 28.901 ( -1.861 2.800 -1.303) 3.606 28.939 ( -1.821 -0.829 -3.101) 3.691 29.686 ( 1.230 5.121 -6.705) 8.527 29.761 ( 0.245 -1.959 -9.432) 9.636 30.205 ( 2.210 5.374 -9.695) 11.303 30.278 ( 2.192 -1.997 -8.569) 9.067 31.310 ( -0.308 3.922 11.998) 12.627 31.398 ( 0.375 -4.788 12.419) 13.316 31.815 ( -2.431 4.473 -2.457) 5.653 31.908 ( -2.580 -4.481 -1.992) 5.541 32.185 ( 0.523 4.091 14.520) 15.094 32.303 ( 1.294 -7.907 22.370) 23.762 33.419 ( 5.133 17.565 -7.914) 19.938 33.760 ( 6.658 -16.307 -10.083) 20.296 35.536 ( -2.150 3.482 -0.042) 4.093 35.629 ( -4.265 -6.014 0.202) 7.376 35.842 ( 0.184 3.050 0.528) 3.101 35.900 ( 1.365 -2.737 -0.158) 3.063 36.295 ( -1.118 7.245 2.471) 7.736 36.434 ( 0.622 -5.609 3.112) 6.445 36.639 ( -3.451 6.739 -2.203) 7.885 36.814 ( -0.285 -9.610 -4.312) 10.537 ======================= Grid point 91 (41/64) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -11.648 0.000 27.217) 29.605 1.049 ( 2.722 0.000 26.232) 26.373 1.486 ( 14.133 0.000 -25.474) 29.132 1.510 ( -2.345 0.000 -22.401) 22.523 1.863 ( 9.615 0.000 40.444) 41.571 2.275 ( 1.219 0.000 4.837) 4.988 2.343 ( -0.352 0.000 -2.525) 2.549 2.380 ( -3.652 0.000 -9.694) 10.359 2.556 ( -2.715 0.000 1.268) 2.997 2.588 ( 0.896 0.000 -2.886) 3.021 2.753 ( -3.825 0.000 2.318) 4.473 2.781 ( -1.301 0.000 1.590) 2.054 2.865 ( 7.217 0.000 0.536) 7.237 2.945 ( 0.898 0.000 -2.354) 2.520 3.053 ( 1.747 0.000 6.103) 6.348 3.105 ( 1.941 0.000 1.611) 2.522 3.173 ( 1.095 0.000 -1.583) 1.925 3.196 ( -2.725 0.000 -7.878) 8.336 3.264 ( 0.658 0.000 4.542) 4.589 3.304 ( -3.243 0.000 2.889) 4.343 3.356 ( 2.196 0.000 3.293) 3.958 3.389 ( 3.202 0.000 10.311) 10.797 3.473 ( -4.789 0.000 -5.466) 7.267 3.533 ( -4.195 0.000 -2.434) 4.849 3.553 ( 1.003 0.000 -4.893) 4.995 3.612 ( 0.120 0.000 -1.304) 1.309 3.624 ( 1.789 0.000 -0.364) 1.825 3.654 ( -4.045 0.000 -8.565) 9.472 3.946 ( -3.436 0.000 1.282) 3.667 3.980 ( 1.766 0.000 -1.748) 2.485 4.143 ( -0.578 0.000 4.051) 4.092 4.193 ( 0.814 0.000 -0.755) 1.110 4.251 ( 2.469 0.000 4.016) 4.714 4.312 ( -3.325 0.000 -3.228) 4.634 4.374 ( -5.645 0.000 -3.388) 6.584 4.383 ( 6.391 0.000 -4.162) 7.627 4.550 ( -4.293 0.000 -1.330) 4.494 4.551 ( 0.630 0.000 -2.668) 2.741 4.673 ( 0.345 0.000 3.475) 3.492 4.760 ( 0.181 0.000 -4.979) 4.983 4.773 ( 1.707 0.000 1.334) 2.167 4.837 ( -1.142 0.000 -4.629) 4.768 4.911 ( -5.856 0.000 5.380) 7.952 4.949 ( 2.964 0.000 0.744) 3.055 5.049 ( -0.430 0.000 -0.296) 0.522 5.088 ( 0.922 0.000 -4.271) 4.370 5.202 ( -0.266 0.000 2.099) 2.116 5.260 ( 2.503 0.000 -4.204) 4.893 5.317 ( -0.525 0.000 7.217) 7.236 5.451 ( -1.915 0.000 -3.082) 3.629 5.487 ( 1.166 0.000 -2.240) 2.525 5.501 ( 0.496 0.000 -0.471) 0.684 5.683 ( -2.572 0.000 3.004) 3.955 5.710 ( 3.472 0.000 0.484) 3.506 5.820 ( -0.562 0.000 5.922) 5.948 5.884 ( -2.705 0.000 -0.651) 2.782 6.138 ( 3.033 0.000 4.058) 5.066 6.151 ( -0.041 0.000 0.673) 0.675 6.197 ( -0.975 0.000 4.765) 4.864 6.287 ( 0.579 0.000 -2.004) 2.086 6.307 ( -4.215 0.000 -4.583) 6.227 6.367 ( -0.316 0.000 -6.343) 6.351 6.793 ( -0.899 0.000 2.102) 2.286 6.849 ( 0.456 0.000 -4.282) 4.306 6.972 ( -4.433 0.000 8.720) 9.782 7.116 ( 9.924 0.000 -5.868) 11.529 7.280 ( -1.345 0.000 7.451) 7.571 7.418 ( 7.371 0.000 -6.400) 9.762 7.641 ( -2.211 0.000 1.232) 2.531 7.702 ( 2.020 0.000 -4.601) 5.025 8.146 ( 0.781 0.000 5.656) 5.709 8.236 ( -3.435 0.000 -3.814) 5.132 11.950 ( -0.463 0.000 2.041) 2.093 11.992 ( 0.222 0.000 -2.268) 2.279 12.309 ( 0.300 0.000 1.484) 1.514 12.336 ( -0.407 0.000 -1.247) 1.312 12.407 ( 1.415 0.000 1.931) 2.394 12.447 ( -1.417 0.000 -2.179) 2.599 12.691 ( 1.528 0.000 0.450) 1.592 12.697 ( -1.453 0.000 -0.123) 1.458 13.955 ( -1.592 0.000 0.685) 1.733 13.959 ( 2.184 0.000 0.264) 2.200 14.054 ( 0.718 0.000 5.840) 5.884 14.144 ( 0.074 0.000 1.438) 1.440 14.177 ( -0.649 0.000 -5.074) 5.115 14.202 ( 0.118 0.000 -2.707) 2.710 14.451 ( -0.265 0.000 0.200) 0.332 14.454 ( -0.427 0.000 -0.234) 0.486 16.635 ( 0.651 0.000 0.121) 0.662 16.645 ( -0.190 0.000 -0.878) 0.898 16.743 ( -4.364 0.000 0.857) 4.447 16.752 ( 2.268 0.000 -0.137) 2.272 16.978 ( -0.323 0.000 1.136) 1.181 17.001 ( 0.304 0.000 -1.259) 1.295 17.155 ( 0.033 0.000 -0.145) 0.149 17.156 ( 0.389 0.000 -0.275) 0.476 17.399 ( -1.253 0.000 2.233) 2.561 17.441 ( 0.782 0.000 -2.150) 2.288 17.611 ( -0.869 0.000 1.662) 1.875 17.630 ( 0.633 0.000 -0.456) 0.780 17.699 ( -1.418 0.000 -0.505) 1.505 17.708 ( 0.881 0.000 -1.208) 1.495 17.793 ( 1.860 0.000 0.244) 1.876 17.795 ( -2.291 0.000 0.107) 2.293 19.034 ( -2.726 0.000 -0.135) 2.729 19.034 ( 3.502 0.000 -0.255) 3.511 19.144 ( 3.655 0.000 2.224) 4.279 19.194 ( -3.398 0.000 -2.977) 4.518 19.341 ( 10.530 0.000 1.038) 10.581 19.357 ( -6.501 0.000 -0.588) 6.527 19.420 ( -3.461 0.000 2.006) 4.001 19.452 ( 3.896 0.000 -1.235) 4.087 27.760 ( -0.452 0.000 0.369) 0.584 27.768 ( 0.551 0.000 -0.472) 0.726 27.950 ( 4.352 0.000 -0.081) 4.352 27.952 ( -2.115 0.000 -0.255) 2.130 28.105 ( -0.043 0.000 0.700) 0.702 28.118 ( -0.690 0.000 -0.598) 0.913 28.383 ( 0.828 0.000 1.445) 1.665 28.407 ( -1.022 0.000 -1.085) 1.490 28.526 ( 1.046 0.000 2.768) 2.960 28.580 ( -0.771 0.000 -2.791) 2.895 28.790 ( -0.374 0.000 5.104) 5.118 28.886 ( 0.343 0.000 -4.646) 4.659 29.245 ( 0.225 0.000 4.133) 4.139 29.354 ( 0.864 0.000 -7.529) 7.578 30.170 ( 0.254 0.000 4.831) 4.838 30.248 ( -0.238 0.000 -3.490) 3.498 31.391 ( -0.783 0.000 9.812) 9.843 31.547 ( 1.810 0.000 -6.500) 6.748 31.790 ( 2.815 0.000 7.432) 7.947 31.942 ( -3.562 0.000 -7.969) 8.729 32.230 ( -1.592 0.000 13.427) 13.521 32.493 ( 0.150 0.000 -13.650) 13.651 34.236 ( -15.191 0.000 3.430) 15.573 34.309 ( 10.581 0.000 -4.120) 11.355 35.464 ( -3.811 0.000 1.763) 4.199 35.507 ( 3.467 0.000 -2.620) 4.345 35.844 ( -6.862 0.000 4.022) 7.953 35.918 ( 3.035 0.000 -3.667) 4.760 36.266 ( -6.742 0.000 3.849) 7.764 36.324 ( 13.814 0.000 -2.423) 14.025 36.774 ( -0.127 0.000 11.794) 11.795 37.008 ( 0.367 0.000 -12.118) 12.124 ======================= Grid point 92 (42/64) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -7.492 0.000 18.107) 19.596 1.153 ( 5.676 0.000 23.898) 24.563 1.495 ( 2.681 0.000 -21.026) 21.196 1.645 ( 2.083 0.000 -26.067) 26.150 2.014 ( 0.225 0.000 30.805) 30.806 2.260 ( -6.617 0.000 -20.302) 21.354 2.296 ( 0.381 0.000 3.306) 3.328 2.310 ( -3.367 0.000 -2.096) 3.966 2.473 ( -3.008 0.000 3.148) 4.354 2.538 ( -4.265 0.000 1.114) 4.408 2.683 ( -5.120 0.000 -3.460) 6.180 2.735 ( -3.000 0.000 5.115) 5.930 2.939 ( -1.967 0.000 -6.816) 7.094 2.948 ( 2.354 0.000 4.597) 5.164 3.027 ( -3.617 0.000 -1.732) 4.011 3.092 ( -0.587 0.000 2.468) 2.537 3.162 ( -0.148 0.000 5.245) 5.248 3.177 ( 0.722 0.000 -4.178) 4.240 3.267 ( -0.278 0.000 -0.083) 0.290 3.274 ( 0.600 0.000 1.272) 1.406 3.423 ( -2.137 0.000 4.614) 5.085 3.434 ( -3.235 0.000 -5.453) 6.340 3.451 ( 3.257 0.000 -0.033) 3.257 3.522 ( 6.978 0.000 1.608) 7.161 3.625 ( -0.488 0.000 -3.906) 3.936 3.637 ( 4.457 0.000 -1.035) 4.576 3.682 ( 11.314 0.000 0.020) 11.314 3.748 ( 9.220 0.000 4.357) 10.198 3.892 ( -1.439 0.000 2.148) 2.586 3.990 ( -1.371 0.000 -0.288) 1.401 4.116 ( -3.018 0.000 4.107) 5.097 4.184 ( -2.865 0.000 -1.488) 3.229 4.252 ( -0.936 0.000 -3.246) 3.378 4.257 ( -1.476 0.000 2.239) 2.682 4.298 ( -0.450 0.000 1.478) 1.545 4.478 ( -2.425 0.000 -0.783) 2.548 4.493 ( 3.999 0.000 -3.817) 5.528 4.560 ( 0.340 0.000 1.783) 1.815 4.659 ( -1.971 0.000 2.812) 3.434 4.759 ( 0.284 0.000 -4.106) 4.116 4.798 ( -0.533 0.000 0.440) 0.691 4.824 ( 0.653 0.000 -6.705) 6.736 4.831 ( -1.910 0.000 5.565) 5.883 4.976 ( -0.494 0.000 3.369) 3.405 5.049 ( 0.783 0.000 1.918) 2.072 5.155 ( 5.831 0.000 -3.661) 6.885 5.211 ( 1.460 0.000 0.972) 1.755 5.274 ( -0.979 0.000 -5.497) 5.583 5.318 ( -0.562 0.000 7.842) 7.862 5.412 ( -1.658 0.000 -3.091) 3.507 5.525 ( 2.895 0.000 -0.676) 2.973 5.532 ( 2.410 0.000 -1.129) 2.661 5.673 ( 1.925 0.000 2.668) 3.290 5.786 ( 3.335 0.000 -0.278) 3.347 5.820 ( -0.784 0.000 6.428) 6.476 5.850 ( -0.059 0.000 2.898) 2.899 6.137 ( -0.537 0.000 -1.964) 2.036 6.188 ( 0.959 0.000 3.827) 3.946 6.202 ( 0.794 0.000 7.546) 7.588 6.228 ( -2.228 0.000 0.611) 2.311 6.320 ( 1.833 0.000 -3.363) 3.830 6.369 ( 0.867 0.000 -5.147) 5.219 6.765 ( -3.633 0.000 2.336) 4.319 6.858 ( 0.724 0.000 -3.906) 3.972 6.864 ( -5.498 0.000 1.405) 5.674 7.209 ( 2.172 0.000 -6.655) 7.000 7.242 ( -2.303 0.000 5.311) 5.789 7.473 ( -5.761 0.000 -14.832) 15.912 7.614 ( 1.153 0.000 -0.376) 1.213 7.730 ( 1.157 0.000 -4.106) 4.266 8.086 ( -8.396 0.000 3.006) 8.918 8.111 ( -4.325 0.000 5.426) 6.939 11.910 ( -3.282 0.000 1.717) 3.703 11.950 ( -3.657 0.000 -1.361) 3.902 12.335 ( 1.769 0.000 1.666) 2.430 12.342 ( 0.048 0.000 -0.216) 0.221 12.397 ( -2.735 0.000 -1.883) 3.321 12.416 ( 0.199 0.000 0.462) 0.503 12.701 ( 1.775 0.000 0.196) 1.786 12.742 ( 3.003 0.000 0.252) 3.014 13.925 ( -1.154 0.000 0.015) 1.155 13.976 ( -0.493 0.000 0.641) 0.809 14.072 ( 0.131 0.000 6.759) 6.761 14.123 ( -1.754 0.000 -0.550) 1.838 14.173 ( 0.247 0.000 -3.253) 3.262 14.190 ( -0.763 0.000 -3.600) 3.680 14.457 ( 0.631 0.000 0.625) 0.888 14.458 ( 0.828 0.000 0.693) 1.079 16.585 ( -3.010 0.000 -1.365) 3.305 16.597 ( -3.405 0.000 -0.101) 3.406 16.688 ( -2.886 0.000 0.845) 3.007 16.757 ( -2.569 0.000 1.125) 2.805 16.964 ( -0.288 0.000 1.259) 1.291 17.015 ( 1.750 0.000 -0.933) 1.983 17.203 ( 3.653 0.000 -0.482) 3.684 17.205 ( 3.310 0.000 -0.385) 3.332 17.389 ( 0.260 0.000 1.912) 1.929 17.454 ( 0.609 0.000 -1.055) 1.218 17.606 ( 0.239 0.000 1.583) 1.601 17.647 ( 1.133 0.000 -0.246) 1.159 17.674 ( -0.961 0.000 0.216) 0.985 17.717 ( -0.011 0.000 -0.685) 0.685 17.763 ( -0.767 0.000 -0.359) 0.847 17.821 ( 0.579 0.000 0.783) 0.974 18.984 ( -2.001 0.000 -0.610) 2.092 19.082 ( -0.910 0.000 -2.039) 2.233 19.083 ( -5.894 0.000 -2.129) 6.267 19.158 ( -1.784 0.000 -2.389) 2.982 19.285 ( 0.468 0.000 1.609) 1.675 19.376 ( -0.139 0.000 2.531) 2.535 19.491 ( 4.440 0.000 -1.487) 4.682 19.538 ( 3.285 0.000 -2.419) 4.080 27.752 ( -0.248 0.000 0.316) 0.401 27.779 ( 0.584 0.000 -0.604) 0.841 27.908 ( -1.605 0.000 -1.325) 2.081 27.974 ( -1.038 0.000 -0.701) 1.253 28.136 ( 2.223 0.000 1.721) 2.812 28.186 ( 5.632 0.000 -2.773) 6.278 28.388 ( -0.573 0.000 -0.767) 0.958 28.399 ( 0.619 0.000 1.432) 1.560 28.532 ( -0.606 0.000 2.579) 2.649 28.552 ( -1.478 0.000 -3.229) 3.551 28.782 ( -0.792 0.000 5.070) 5.132 28.884 ( -0.070 0.000 -4.622) 4.623 29.301 ( 4.851 0.000 3.557) 6.016 29.407 ( 4.684 0.000 -9.153) 10.282 30.176 ( -0.093 0.000 3.568) 3.569 30.223 ( -1.929 0.000 -3.078) 3.633 31.409 ( 1.782 0.000 8.726) 8.906 31.612 ( 5.279 0.000 -6.427) 8.317 31.843 ( 1.262 0.000 12.264) 12.329 31.884 ( -1.714 0.000 -10.037) 10.182 32.171 ( -5.284 0.000 13.937) 14.905 32.447 ( -3.222 0.000 -11.937) 12.364 33.603 ( -36.055 0.000 25.717) 44.287 34.245 ( -14.558 0.000 -12.003) 18.868 35.505 ( 6.532 0.000 3.164) 7.258 35.615 ( 4.858 0.000 -1.394) 5.054 35.829 ( 0.714 0.000 3.214) 3.292 36.048 ( 9.195 0.000 1.426) 9.305 36.146 ( -5.018 0.000 2.768) 5.731 36.638 ( 15.774 0.000 -15.814) 22.335 36.761 ( -2.164 0.000 12.185) 12.375 36.995 ( -0.698 0.000 -13.008) 13.026 ======================= Grid point 93 (43/64) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 2.709 0.000 2.822) 3.912 1.277 ( 3.466 0.000 15.436) 15.820 1.505 ( -11.709 0.000 -19.982) 23.160 1.583 ( 7.713 0.000 -17.385) 19.019 1.893 ( -10.873 0.000 15.955) 19.308 2.118 ( -6.815 0.000 -16.783) 18.114 2.220 ( -4.125 0.000 -4.301) 5.959 2.299 ( -2.815 0.000 0.834) 2.936 2.471 ( -2.243 0.000 5.200) 5.663 2.483 ( 2.027 0.000 4.514) 4.948 2.575 ( -2.218 0.000 -3.016) 3.744 2.682 ( -2.674 0.000 2.184) 3.452 2.889 ( -2.140 0.000 -1.053) 2.385 2.958 ( -3.080 0.000 1.943) 3.642 3.035 ( 6.526 0.000 1.082) 6.615 3.082 ( -0.147 0.000 3.472) 3.476 3.200 ( -0.750 0.000 8.066) 8.101 3.201 ( 2.205 0.000 -3.344) 4.005 3.263 ( -1.825 0.000 0.466) 1.883 3.297 ( 2.576 0.000 -2.100) 3.323 3.352 ( -2.951 0.000 -11.964) 12.323 3.357 ( -2.671 0.000 0.415) 2.704 3.522 ( 3.019 0.000 -3.251) 4.437 3.527 ( -4.276 0.000 -4.727) 6.374 3.686 ( 0.992 0.000 4.901) 5.000 3.723 ( 7.181 0.000 2.700) 7.672 3.877 ( 2.533 0.000 6.602) 7.071 3.917 ( 3.439 0.000 -0.704) 3.511 3.926 ( 10.434 0.000 -0.162) 10.435 3.933 ( -2.386 0.000 0.907) 2.553 4.043 ( -4.252 0.000 3.279) 5.370 4.105 ( -3.755 0.000 -0.380) 3.775 4.259 ( 0.888 0.000 4.102) 4.197 4.283 ( 3.161 0.000 -0.447) 3.193 4.331 ( 2.802 0.000 5.270) 5.969 4.476 ( 2.781 0.000 -0.450) 2.817 4.507 ( -1.131 0.000 -4.629) 4.765 4.557 ( -1.465 0.000 1.025) 1.788 4.631 ( -0.587 0.000 4.305) 4.345 4.726 ( -3.848 0.000 0.142) 3.851 4.772 ( 1.013 0.000 -3.521) 3.664 4.853 ( 2.007 0.000 -7.322) 7.592 4.857 ( 1.421 0.000 4.148) 4.384 4.938 ( -3.200 0.000 1.419) 3.501 5.092 ( 3.292 0.000 3.693) 4.947 5.247 ( 1.704 0.000 1.930) 2.574 5.248 ( 1.939 0.000 -1.857) 2.685 5.258 ( 1.234 0.000 -3.208) 3.437 5.308 ( -0.763 0.000 5.742) 5.793 5.390 ( -0.162 0.000 -2.300) 2.306 5.575 ( 1.828 0.000 -0.733) 1.969 5.575 ( 1.688 0.000 -0.145) 1.694 5.751 ( 4.818 0.000 4.876) 6.855 5.800 ( -0.638 0.000 5.235) 5.274 5.829 ( 1.952 0.000 2.370) 3.070 5.881 ( 1.530 0.000 2.175) 2.659 6.113 ( -1.982 0.000 -4.417) 4.842 6.174 ( -1.476 0.000 3.137) 3.467 6.219 ( -0.538 0.000 3.261) 3.305 6.268 ( 5.466 0.000 11.563) 12.790 6.344 ( 0.936 0.000 -4.287) 4.388 6.383 ( 0.434 0.000 -3.335) 3.363 6.628 ( -7.306 0.000 -5.216) 8.977 6.825 ( -0.109 0.000 0.806) 0.814 6.866 ( 0.252 0.000 -3.680) 3.689 7.145 ( -13.279 0.000 -14.503) 19.664 7.212 ( -1.277 0.000 5.314) 5.465 7.296 ( -2.383 0.000 -5.539) 6.030 7.642 ( 1.237 0.000 -1.054) 1.625 7.736 ( -0.327 0.000 -3.511) 3.526 8.003 ( -1.111 0.000 1.887) 2.190 8.025 ( -3.910 0.000 3.395) 5.178 11.850 ( -2.496 0.000 1.233) 2.784 11.879 ( -2.997 0.000 -0.886) 3.126 12.317 ( -1.992 0.000 1.553) 2.526 12.337 ( -1.421 0.000 -1.334) 1.949 12.384 ( 1.192 0.000 1.772) 2.135 12.436 ( 1.412 0.000 -2.149) 2.572 12.746 ( 2.336 0.000 0.932) 2.515 12.788 ( 1.492 0.000 -0.140) 1.498 13.917 ( 0.365 0.000 -0.385) 0.530 13.947 ( -2.281 0.000 2.111) 3.108 14.071 ( -0.494 0.000 4.945) 4.969 14.087 ( -1.763 0.000 0.818) 1.944 14.177 ( -0.252 0.000 -2.991) 3.002 14.181 ( 0.962 0.000 -3.732) 3.854 14.473 ( 0.841 0.000 0.937) 1.259 14.477 ( 0.867 0.000 0.757) 1.151 16.537 ( -2.248 0.000 0.040) 2.248 16.561 ( -0.072 0.000 -3.421) 3.422 16.626 ( -2.488 0.000 0.734) 2.594 16.685 ( -4.067 0.000 0.893) 4.164 16.979 ( 1.417 0.000 1.471) 2.043 17.043 ( 0.681 0.000 -0.681) 0.963 17.254 ( 1.645 0.000 -0.057) 1.646 17.262 ( 2.129 0.000 -0.778) 2.267 17.410 ( 1.533 0.000 1.137) 1.908 17.460 ( 0.024 0.000 -0.579) 0.579 17.617 ( 0.613 0.000 0.985) 1.160 17.667 ( 0.223 0.000 1.756) 1.770 17.670 ( 1.010 0.000 -0.838) 1.312 17.703 ( -1.308 0.000 0.103) 1.312 17.763 ( 0.597 0.000 -1.316) 1.445 17.811 ( -1.472 0.000 0.104) 1.476 18.957 ( -1.423 0.000 -1.606) 2.146 18.994 ( -2.280 0.000 1.122) 2.541 19.004 ( -3.930 0.000 -4.865) 6.254 19.127 ( -2.475 0.000 -4.680) 5.294 19.332 ( 3.825 0.000 4.578) 5.965 19.422 ( 3.343 0.000 3.914) 5.147 19.538 ( -0.382 0.000 -2.231) 2.263 19.550 ( -0.206 0.000 -1.298) 1.314 27.752 ( 0.154 0.000 0.491) 0.515 27.785 ( -0.029 0.000 -0.987) 0.987 27.897 ( 0.562 0.000 -0.752) 0.939 27.948 ( -1.370 0.000 -0.217) 1.387 28.173 ( 1.263 0.000 2.459) 2.764 28.253 ( 1.171 0.000 -3.423) 3.617 28.391 ( 0.864 0.000 -0.187) 0.884 28.410 ( 0.397 0.000 0.923) 1.005 28.511 ( -1.641 0.000 2.472) 2.967 28.532 ( -0.055 0.000 -4.032) 4.032 28.772 ( -0.575 0.000 5.139) 5.171 28.877 ( -0.205 0.000 -4.748) 4.752 29.408 ( 4.909 0.000 2.776) 5.639 29.492 ( 4.269 0.000 -8.173) 9.221 30.168 ( -1.023 0.000 1.313) 1.664 30.179 ( -2.030 0.000 -1.985) 2.839 31.468 ( 3.478 0.000 9.072) 9.716 31.713 ( 3.729 0.000 -4.066) 5.517 31.812 ( -6.762 0.000 20.691) 21.768 31.869 ( 2.484 0.000 -15.212) 15.413 32.102 ( -1.251 0.000 10.552) 10.626 32.374 ( -2.926 0.000 -10.207) 10.618 33.134 ( -14.374 0.000 32.767) 35.781 33.897 ( -16.417 0.000 -23.616) 28.762 35.640 ( 6.408 0.000 0.642) 6.441 35.699 ( 3.903 0.000 -0.080) 3.904 35.821 ( -1.275 0.000 3.034) 3.291 36.003 ( -6.491 0.000 -1.182) 6.598 36.301 ( 11.580 0.000 14.223) 18.341 36.715 ( -3.487 0.000 13.192) 13.645 36.847 ( 7.666 0.000 -18.919) 20.413 36.956 ( -2.385 0.000 -15.213) 15.399 ======================= Grid point 94 (44/64) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 4.346 0.000 4.755) 6.442 1.154 ( -11.584 0.000 -23.989) 26.640 1.353 ( -6.971 0.000 21.055) 22.179 1.677 ( -1.476 0.000 7.181) 7.331 1.798 ( 3.738 0.000 -7.551) 8.425 2.031 ( 1.349 0.000 -8.264) 8.373 2.185 ( -5.219 0.000 -3.413) 6.236 2.197 ( 2.866 0.000 -9.210) 9.645 2.455 ( -0.263 0.000 6.245) 6.251 2.533 ( 2.520 0.000 2.238) 3.370 2.597 ( 2.431 0.000 -1.016) 2.635 2.638 ( -2.145 0.000 -1.425) 2.575 2.878 ( 0.866 0.000 7.639) 7.688 2.907 ( -2.295 0.000 3.639) 4.303 3.075 ( -1.871 0.000 7.798) 8.019 3.111 ( -5.762 0.000 2.897) 6.449 3.159 ( 3.464 0.000 -3.127) 4.667 3.219 ( -2.044 0.000 1.401) 2.478 3.251 ( -4.104 0.000 -3.739) 5.552 3.270 ( 4.342 0.000 -2.338) 4.931 3.346 ( -0.197 0.000 -2.504) 2.512 3.351 ( 2.870 0.000 -8.333) 8.813 3.491 ( 1.280 0.000 -0.697) 1.458 3.529 ( -1.608 0.000 -4.012) 4.322 3.728 ( 3.012 0.000 4.209) 5.175 3.789 ( -0.271 0.000 -1.465) 1.489 3.898 ( 0.365 0.000 4.042) 4.058 3.925 ( 1.807 0.000 0.576) 1.896 3.958 ( -3.989 0.000 2.964) 4.970 3.988 ( 2.796 0.000 0.187) 2.802 4.035 ( -3.083 0.000 0.749) 3.173 4.085 ( 4.748 0.000 -2.663) 5.443 4.297 ( 2.437 0.000 7.391) 7.782 4.326 ( 0.158 0.000 2.304) 2.310 4.348 ( -2.028 0.000 2.317) 3.079 4.450 ( -4.179 0.000 -6.487) 7.717 4.543 ( 0.974 0.000 0.428) 1.064 4.568 ( 4.925 0.000 -0.728) 4.978 4.645 ( 0.661 0.000 6.362) 6.396 4.712 ( 3.734 0.000 2.049) 4.259 4.774 ( -0.498 0.000 -5.556) 5.578 4.817 ( -3.573 0.000 -7.124) 7.970 4.878 ( 0.678 0.000 2.188) 2.291 4.926 ( 1.314 0.000 -3.505) 3.743 5.159 ( 2.318 0.000 5.986) 6.419 5.229 ( -2.743 0.000 -2.328) 3.598 5.266 ( -0.157 0.000 2.013) 2.020 5.285 ( 0.404 0.000 -2.644) 2.675 5.308 ( 0.614 0.000 3.231) 3.289 5.396 ( 0.965 0.000 -2.353) 2.543 5.570 ( -1.955 0.000 3.073) 3.642 5.595 ( -0.059 0.000 0.437) 0.441 5.790 ( -0.052 0.000 5.018) 5.018 5.873 ( -1.576 0.000 5.207) 5.440 5.876 ( 4.898 0.000 6.205) 7.905 5.890 ( 2.884 0.000 -1.152) 3.105 6.079 ( -0.151 0.000 -3.399) 3.402 6.102 ( -5.912 0.000 -2.390) 6.377 6.231 ( 1.664 0.000 6.607) 6.813 6.336 ( -4.913 0.000 2.240) 5.400 6.361 ( 1.551 0.000 1.110) 1.908 6.385 ( 3.790 0.000 0.772) 3.867 6.608 ( 7.554 0.000 0.543) 7.574 6.811 ( -10.692 0.000 -13.153) 16.950 6.828 ( 0.036 0.000 1.361) 1.362 6.890 ( -3.436 0.000 -7.944) 8.655 7.196 ( -0.953 0.000 5.318) 5.402 7.301 ( 1.047 0.000 -4.545) 4.664 7.667 ( 1.291 0.000 1.233) 1.786 7.711 ( -1.825 0.000 -3.214) 3.696 7.989 ( -0.069 0.000 1.826) 1.827 8.011 ( 1.719 0.000 -1.325) 2.170 11.828 ( 0.210 0.000 1.019) 1.040 11.847 ( -0.057 0.000 -0.962) 0.964 12.292 ( -0.450 0.000 1.695) 1.754 12.323 ( 0.309 0.000 -1.447) 1.479 12.401 ( 0.202 0.000 2.232) 2.241 12.449 ( -0.108 0.000 -2.631) 2.633 12.780 ( 0.856 0.000 1.251) 1.516 12.795 ( -0.811 0.000 -0.456) 0.930 13.907 ( -1.725 0.000 2.611) 3.129 13.935 ( 1.411 0.000 -0.340) 1.451 14.065 ( -0.415 0.000 1.878) 1.923 14.065 ( -0.395 0.000 3.087) 3.112 14.172 ( -0.066 0.000 -2.256) 2.257 14.200 ( 1.140 0.000 -4.038) 4.196 14.486 ( 0.295 0.000 0.640) 0.705 14.487 ( 0.117 0.000 0.465) 0.479 16.516 ( -0.227 0.000 0.691) 0.728 16.542 ( -0.962 0.000 -1.983) 2.204 16.627 ( -1.432 0.000 0.004) 1.432 16.635 ( 2.804 0.000 -1.147) 3.030 17.009 ( 1.307 0.000 1.718) 2.159 17.036 ( -1.121 0.000 -1.104) 1.573 17.270 ( -0.035 0.000 0.273) 0.276 17.280 ( -0.110 0.000 -0.893) 0.899 17.438 ( 0.973 0.000 0.733) 1.218 17.453 ( -0.586 0.000 -0.926) 1.096 17.631 ( 0.733 0.000 1.410) 1.589 17.659 ( -1.733 0.000 -1.379) 2.215 17.684 ( 1.290 0.000 1.910) 2.304 17.697 ( 0.656 0.000 0.014) 0.656 17.776 ( -1.868 0.000 -0.374) 1.905 17.777 ( 0.831 0.000 -0.958) 1.268 18.919 ( -1.440 0.000 0.080) 1.442 18.952 ( -1.210 0.000 -3.229) 3.448 19.004 ( 2.028 0.000 2.438) 3.171 19.069 ( -2.464 0.000 -4.519) 5.147 19.416 ( 3.888 0.000 4.947) 6.292 19.478 ( -4.272 0.000 -1.079) 4.406 19.481 ( 2.094 0.000 3.905) 4.431 19.540 ( -1.604 0.000 -2.658) 3.105 27.758 ( 0.416 0.000 0.778) 0.882 27.776 ( -0.608 0.000 -1.130) 1.283 27.919 ( 1.403 0.000 -0.031) 1.404 27.920 ( -1.665 0.000 -0.136) 1.670 28.192 ( 0.637 0.000 2.786) 2.858 28.246 ( -0.931 0.000 -2.903) 3.048 28.410 ( -0.601 0.000 0.354) 0.697 28.412 ( 0.940 0.000 0.061) 0.942 28.480 ( -1.441 0.000 2.458) 2.849 28.542 ( 1.163 0.000 -4.122) 4.283 28.771 ( -0.021 0.000 5.267) 5.268 28.871 ( 0.007 0.000 -4.921) 4.921 29.457 ( -0.694 0.000 2.380) 2.479 29.536 ( 0.318 0.000 -6.454) 6.462 30.146 ( -0.970 0.000 0.569) 1.125 30.162 ( 0.721 0.000 -1.144) 1.352 31.548 ( 3.161 0.000 11.874) 12.287 31.666 ( -7.847 0.000 17.475) 19.156 31.697 ( -3.470 0.000 -5.758) 6.723 31.990 ( 9.331 0.000 -14.488) 17.233 32.124 ( 1.616 0.000 10.749) 10.870 32.322 ( -1.649 0.000 -9.974) 10.110 33.068 ( 3.958 0.000 33.999) 34.229 33.656 ( -5.153 0.000 -27.419) 27.899 35.715 ( -2.702 0.000 0.581) 2.764 35.735 ( 2.394 0.000 -1.489) 2.819 35.849 ( 4.509 0.000 2.889) 5.355 35.890 ( -3.873 0.000 -0.974) 3.993 36.495 ( 6.153 0.000 17.745) 18.781 36.658 ( -2.897 0.000 13.281) 13.594 36.862 ( -6.155 0.000 -19.711) 20.649 36.936 ( 3.536 0.000 -15.956) 16.343 ======================= Grid point 95 (45/64) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 6.812 0.000 23.022) 24.009 1.003 ( -1.138 0.000 -18.709) 18.744 1.204 ( -7.094 0.000 18.547) 19.858 1.641 ( -2.374 0.000 10.144) 10.418 1.796 ( -4.756 0.000 -5.904) 7.581 2.148 ( 9.573 0.000 -5.687) 11.135 2.192 ( 4.276 0.000 0.488) 4.304 2.307 ( 7.729 0.000 -6.221) 9.922 2.473 ( 2.205 0.000 5.181) 5.630 2.558 ( 0.605 0.000 -2.514) 2.585 2.588 ( -2.556 0.000 -3.939) 4.696 2.675 ( 5.818 0.000 1.255) 5.952 2.872 ( -1.853 0.000 3.371) 3.846 2.906 ( 0.179 0.000 11.697) 11.699 3.023 ( -0.299 0.000 2.427) 2.446 3.067 ( -0.586 0.000 4.569) 4.607 3.081 ( -5.519 0.000 1.130) 5.634 3.206 ( 0.419 0.000 0.575) 0.711 3.268 ( 2.192 0.000 -3.117) 3.811 3.321 ( -1.847 0.000 -1.430) 2.336 3.360 ( 3.068 0.000 -2.999) 4.290 3.409 ( 3.569 0.000 -6.005) 6.986 3.498 ( -0.555 0.000 -0.691) 0.887 3.520 ( 0.575 0.000 -2.319) 2.389 3.753 ( -3.033 0.000 -2.358) 3.842 3.761 ( -1.073 0.000 -1.269) 1.661 3.892 ( -3.324 0.000 2.226) 4.001 3.893 ( -6.945 0.000 2.480) 7.375 3.934 ( -1.486 0.000 1.393) 2.037 3.941 ( 2.216 0.000 -0.651) 2.309 4.090 ( 4.634 0.000 -1.173) 4.781 4.141 ( 2.189 0.000 -2.389) 3.240 4.262 ( -4.889 0.000 1.577) 5.137 4.287 ( -3.138 0.000 -1.052) 3.309 4.376 ( -2.158 0.000 -2.636) 3.406 4.383 ( 4.427 0.000 6.841) 8.148 4.570 ( 0.643 0.000 -4.663) 4.707 4.626 ( 1.578 0.000 -3.747) 4.065 4.660 ( 0.217 0.000 7.062) 7.065 4.746 ( -0.638 0.000 -7.064) 7.092 4.782 ( -0.370 0.000 0.436) 0.572 4.793 ( 1.635 0.000 -7.460) 7.637 4.929 ( 5.700 0.000 2.476) 6.215 4.934 ( -0.545 0.000 -3.983) 4.021 5.157 ( -3.618 0.000 -3.362) 4.939 5.159 ( -3.183 0.000 8.182) 8.779 5.242 ( -2.307 0.000 0.051) 2.308 5.270 ( -1.561 0.000 -2.254) 2.742 5.333 ( 1.197 0.000 1.517) 1.932 5.424 ( 2.164 0.000 -4.357) 4.865 5.526 ( -2.590 0.000 3.853) 4.642 5.563 ( -3.098 0.000 0.874) 3.219 5.778 ( -1.559 0.000 5.297) 5.522 5.782 ( -6.253 0.000 2.418) 6.704 5.905 ( -1.788 0.000 1.980) 2.668 5.942 ( 0.145 0.000 -7.775) 7.776 6.039 ( 1.483 0.000 3.051) 3.392 6.111 ( 2.059 0.000 2.994) 3.633 6.250 ( -3.016 0.000 0.688) 3.094 6.271 ( 1.262 0.000 4.446) 4.621 6.411 ( -0.119 0.000 -5.951) 5.952 6.446 ( 7.390 0.000 12.331) 14.376 6.601 ( -6.572 0.000 -17.829) 19.002 6.820 ( 1.138 0.000 4.562) 4.702 6.849 ( 11.048 0.000 10.641) 15.339 6.865 ( -0.607 0.000 -4.146) 4.191 7.190 ( 0.485 0.000 5.151) 5.174 7.314 ( 0.751 0.000 -4.263) 4.329 7.676 ( -1.162 0.000 -3.632) 3.813 7.685 ( 0.211 0.000 1.835) 1.847 8.017 ( 2.677 0.000 0.896) 2.823 8.074 ( 5.116 0.000 -2.244) 5.586 11.859 ( 2.730 0.000 1.165) 2.968 11.876 ( 2.981 0.000 -1.384) 3.287 12.306 ( 1.640 0.000 1.670) 2.341 12.338 ( 0.551 0.000 -0.308) 0.631 12.403 ( 0.498 0.000 1.017) 1.132 12.426 ( -1.890 0.000 -2.394) 3.050 12.759 ( -2.690 0.000 -0.525) 2.740 12.778 ( -1.158 0.000 1.094) 1.593 13.891 ( -0.072 0.000 2.440) 2.441 13.962 ( 1.130 0.000 0.444) 1.214 14.059 ( -0.618 0.000 3.177) 3.236 14.078 ( 1.534 0.000 2.167) 2.655 14.174 ( 0.527 0.000 -2.369) 2.427 14.212 ( 0.287 0.000 -4.712) 4.721 14.482 ( -0.674 0.000 0.118) 0.685 14.484 ( -0.476 0.000 0.031) 0.477 16.521 ( 1.012 0.000 0.877) 1.339 16.547 ( 1.761 0.000 -1.221) 2.143 16.644 ( 2.900 0.000 -0.979) 3.061 16.705 ( 4.251 0.000 -1.250) 4.431 17.007 ( -1.491 0.000 -1.402) 2.047 17.023 ( -0.332 0.000 1.531) 1.567 17.252 ( -1.913 0.000 0.240) 1.927 17.257 ( -2.183 0.000 -0.481) 2.235 17.439 ( -0.603 0.000 -1.952) 2.043 17.444 ( -0.439 0.000 1.104) 1.188 17.632 ( -0.853 0.000 -0.700) 1.104 17.641 ( -0.045 0.000 1.663) 1.663 17.703 ( -0.211 0.000 -1.658) 1.672 17.715 ( 1.368 0.000 0.013) 1.368 17.750 ( -0.381 0.000 -0.002) 0.381 17.797 ( 1.455 0.000 1.206) 1.890 18.919 ( 1.852 0.000 3.716) 4.152 18.946 ( 0.726 0.000 -0.940) 1.188 19.040 ( 0.069 0.000 -3.494) 3.495 19.054 ( 2.525 0.000 2.982) 3.908 19.391 ( -4.319 0.000 -1.221) 4.488 19.473 ( 1.271 0.000 4.548) 4.722 19.487 ( -3.427 0.000 -3.109) 4.627 19.501 ( -0.328 0.000 3.531) 3.547 27.765 ( -0.424 0.000 -0.879) 0.976 27.766 ( 0.264 0.000 0.902) 0.940 27.887 ( -1.482 0.000 0.289) 1.510 27.944 ( 1.161 0.000 0.209) 1.179 28.195 ( -1.070 0.000 2.856) 3.050 28.223 ( -1.373 0.000 -2.941) 3.245 28.388 ( -1.415 0.000 0.132) 1.421 28.420 ( 0.136 0.000 -0.237) 0.274 28.471 ( 0.342 0.000 2.455) 2.479 28.564 ( 1.309 0.000 -3.139) 3.401 28.778 ( 0.305 0.000 5.296) 5.305 28.871 ( 0.457 0.000 -4.980) 5.001 29.391 ( -5.476 0.000 3.056) 6.271 29.489 ( -4.248 0.000 -6.236) 7.546 30.142 ( 0.469 0.000 2.019) 2.072 30.197 ( 2.503 0.000 -1.665) 3.006 31.509 ( -6.101 0.000 18.052) 19.055 31.615 ( -3.885 0.000 -6.568) 7.631 31.657 ( 3.625 0.000 5.691) 6.748 32.101 ( 0.502 0.000 -10.016) 10.029 32.168 ( 2.058 0.000 11.382) 11.567 32.331 ( 5.309 0.000 -12.932) 13.979 33.334 ( 20.840 0.000 36.453) 41.990 33.681 ( 9.933 0.000 -25.148) 27.039 35.645 ( -3.992 0.000 -0.089) 3.993 35.691 ( -5.288 0.000 0.806) 5.349 35.888 ( 1.984 0.000 -3.600) 4.111 35.954 ( 5.601 0.000 3.432) 6.569 36.509 ( -5.041 0.000 16.518) 17.270 36.658 ( -13.904 0.000 -22.924) 26.811 36.682 ( 3.326 0.000 13.072) 13.489 36.978 ( 2.182 0.000 -13.913) 14.083 ======================= Grid point 96 (46/64) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.059 0.000 16.705) 16.705 1.088 ( 0.952 0.000 28.619) 28.635 1.235 ( 10.749 0.000 -14.617) 18.144 1.601 ( -3.089 0.000 -14.457) 14.783 1.704 ( -0.655 0.000 30.395) 30.402 2.250 ( 1.367 0.000 3.815) 4.052 2.314 ( 5.203 0.000 -0.526) 5.230 2.404 ( 2.396 0.000 -7.322) 7.704 2.529 ( 1.969 0.000 -2.038) 2.834 2.570 ( 0.452 0.000 -0.746) 0.872 2.636 ( 10.591 0.000 -1.615) 10.713 2.778 ( 2.684 0.000 1.108) 2.904 2.837 ( -2.011 0.000 4.363) 4.804 2.938 ( 1.903 0.000 8.566) 8.774 3.018 ( 1.109 0.000 0.704) 1.314 3.026 ( -0.571 0.000 6.806) 6.830 3.146 ( 6.584 0.000 2.721) 7.124 3.195 ( -0.797 0.000 -0.910) 1.210 3.270 ( -1.990 0.000 -8.024) 8.267 3.325 ( 2.479 0.000 4.140) 4.825 3.358 ( -2.609 0.000 1.808) 3.174 3.401 ( -4.234 0.000 -6.290) 7.582 3.510 ( 1.285 0.000 -1.662) 2.101 3.555 ( 4.218 0.000 -4.202) 5.954 3.668 ( -6.312 0.000 -3.385) 7.163 3.672 ( -7.774 0.000 -3.258) 8.429 3.714 ( -9.688 0.000 -3.287) 10.230 3.777 ( -7.297 0.000 3.005) 7.891 3.943 ( 1.907 0.000 -1.646) 2.519 3.987 ( 0.300 0.000 -0.619) 0.688 4.154 ( -0.921 0.000 3.263) 3.390 4.174 ( 3.559 0.000 -1.221) 3.763 4.193 ( -0.805 0.000 3.115) 3.218 4.282 ( 3.709 0.000 -6.062) 7.107 4.352 ( -0.865 0.000 -1.688) 1.897 4.447 ( -0.014 0.000 1.054) 1.055 4.555 ( -0.762 0.000 -7.626) 7.664 4.621 ( -2.269 0.000 -2.077) 3.077 4.664 ( 0.016 0.000 4.269) 4.269 4.744 ( -0.588 0.000 0.275) 0.649 4.749 ( 1.111 0.000 -5.883) 5.987 4.849 ( 2.803 0.000 -4.533) 5.329 4.905 ( -0.813 0.000 -2.621) 2.744 5.024 ( 0.195 0.000 1.742) 1.753 5.060 ( -5.026 0.000 5.692) 7.593 5.103 ( -1.683 0.000 -3.784) 4.141 5.201 ( -0.848 0.000 1.010) 1.319 5.239 ( -0.653 0.000 -2.830) 2.904 5.337 ( -1.108 0.000 3.347) 3.525 5.464 ( 1.942 0.000 -6.113) 6.414 5.485 ( -1.835 0.000 2.982) 3.501 5.513 ( -1.597 0.000 0.984) 1.876 5.691 ( -2.282 0.000 1.205) 2.581 5.739 ( -2.915 0.000 4.350) 5.236 5.852 ( -2.967 0.000 2.751) 4.046 5.925 ( -1.028 0.000 -4.426) 4.544 6.084 ( 2.117 0.000 3.501) 4.091 6.136 ( 0.786 0.000 3.280) 3.373 6.220 ( -1.144 0.000 2.615) 2.854 6.280 ( -0.052 0.000 1.501) 1.502 6.389 ( -1.209 0.000 -6.966) 7.070 6.415 ( -5.806 0.000 -11.932) 13.270 6.792 ( 18.283 0.000 4.088) 18.735 6.809 ( -0.938 0.000 1.915) 2.132 6.857 ( 1.283 0.000 -1.877) 2.274 7.001 ( 1.356 0.000 13.327) 13.396 7.248 ( 3.913 0.000 8.380) 9.248 7.332 ( 1.999 0.000 -3.256) 3.820 7.670 ( 1.122 0.000 -4.666) 4.799 7.674 ( -1.326 0.000 1.443) 1.960 8.086 ( 4.031 0.000 2.353) 4.668 8.193 ( 6.314 0.000 -3.223) 7.089 11.920 ( 2.932 0.000 1.654) 3.367 11.946 ( 3.881 0.000 -2.069) 4.398 12.324 ( -1.514 0.000 1.384) 2.051 12.347 ( 1.620 0.000 1.126) 1.973 12.383 ( -1.428 0.000 -1.164) 1.843 12.436 ( 2.209 0.000 -1.338) 2.582 12.703 ( -2.485 0.000 -0.130) 2.488 12.741 ( -2.520 0.000 0.503) 2.570 13.911 ( 1.984 0.000 1.737) 2.637 13.973 ( -0.219 0.000 1.014) 1.037 14.049 ( -0.513 0.000 4.255) 4.286 14.118 ( 2.018 0.000 2.350) 3.098 14.189 ( 1.113 0.000 -2.296) 2.552 14.201 ( -0.926 0.000 -5.454) 5.532 14.465 ( -0.963 0.000 -0.057) 0.965 14.470 ( -0.927 0.000 -0.502) 1.054 16.571 ( 4.074 0.000 0.073) 4.075 16.600 ( 3.366 0.000 -0.650) 3.428 16.707 ( 2.969 0.000 -0.958) 3.120 16.778 ( 2.269 0.000 -1.046) 2.499 16.990 ( 0.138 0.000 -1.392) 1.399 16.995 ( -2.161 0.000 1.124) 2.436 17.198 ( -3.362 0.000 0.014) 3.362 17.200 ( -3.415 0.000 0.031) 3.415 17.425 ( -1.449 0.000 1.891) 2.383 17.432 ( 0.164 0.000 -2.699) 2.704 17.624 ( 0.027 0.000 -0.543) 0.544 17.630 ( -1.033 0.000 1.400) 1.740 17.696 ( 0.155 0.000 -1.746) 1.753 17.721 ( -0.585 0.000 -1.018) 1.174 17.761 ( 1.268 0.000 -0.170) 1.279 17.823 ( 0.185 0.000 0.784) 0.805 18.975 ( 2.313 0.000 -0.069) 2.314 19.027 ( 8.309 0.000 5.028) 9.712 19.071 ( 3.127 0.000 -0.695) 3.204 19.088 ( 1.537 0.000 3.437) 3.765 19.320 ( -3.056 0.000 -1.306) 3.324 19.426 ( -1.536 0.000 -2.655) 3.068 19.458 ( -3.319 0.000 2.057) 3.905 19.478 ( -2.346 0.000 3.731) 4.407 27.761 ( 0.120 0.000 -0.594) 0.606 27.767 ( -0.280 0.000 0.626) 0.686 27.881 ( 1.438 0.000 1.477) 2.062 27.963 ( 0.627 0.000 0.402) 0.745 28.148 ( -3.474 0.000 1.642) 3.843 28.175 ( -3.441 0.000 -2.554) 4.285 28.372 ( -0.040 0.000 0.937) 0.938 28.421 ( -0.221 0.000 -0.889) 0.916 28.494 ( 1.657 0.000 2.804) 3.257 28.582 ( 0.661 0.000 -2.590) 2.673 28.788 ( 0.164 0.000 5.199) 5.202 28.879 ( 0.665 0.000 -4.837) 4.883 29.288 ( -4.642 0.000 3.969) 6.108 29.394 ( -4.056 0.000 -6.442) 7.613 30.158 ( 0.685 0.000 3.969) 4.028 30.237 ( 1.566 0.000 -2.871) 3.270 31.425 ( -3.655 0.000 12.871) 13.380 31.553 ( -1.751 0.000 -6.446) 6.680 31.728 ( 3.124 0.000 5.876) 6.655 32.032 ( -4.779 0.000 -7.882) 9.217 32.216 ( 1.535 0.000 12.078) 12.175 32.448 ( 5.618 0.000 -14.186) 15.258 33.912 ( 33.214 0.000 25.396) 41.810 33.972 ( 20.179 0.000 -15.432) 25.403 35.564 ( -4.547 0.000 -2.626) 5.251 35.578 ( -6.340 0.000 2.250) 6.728 35.906 ( 0.058 0.000 -4.355) 4.356 36.045 ( 0.404 0.000 2.097) 2.135 36.293 ( -17.695 0.000 -15.103) 23.263 36.396 ( -7.135 0.000 10.812) 12.954 36.746 ( 1.981 0.000 12.432) 12.589 37.001 ( 1.326 0.000 -12.483) 12.553 ======================= Grid point 97 (47/64) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -9.663 10.460 24.126) 28.015 1.283 ( 4.687 18.686 20.167) 27.889 1.545 ( 9.951 6.400 -21.888) 24.881 1.669 ( -0.555 12.873 -20.071) 23.851 2.016 ( 5.740 15.260 32.039) 35.949 2.229 ( -0.325 -0.090 2.984) 3.003 2.337 ( 2.022 -0.487 1.428) 2.523 2.503 ( -2.313 4.450 -4.997) 7.079 2.564 ( -2.638 1.982 -1.118) 3.484 2.586 ( 0.594 0.585 -1.364) 1.599 2.712 ( -1.004 -2.288 4.736) 5.355 2.783 ( 5.416 -0.948 -2.502) 6.041 2.911 ( -1.691 4.301 3.880) 6.034 2.971 ( 2.146 2.173 -1.724) 3.507 3.052 ( 1.929 -0.826 3.825) 4.363 3.102 ( -0.900 0.202 1.291) 1.587 3.161 ( 3.370 -0.604 -0.760) 3.507 3.171 ( -2.880 -0.569 -5.863) 6.557 3.307 ( -2.275 0.585 3.044) 3.845 3.309 ( 0.243 1.877 2.741) 3.331 3.349 ( 2.287 0.429 6.255) 6.674 3.415 ( 0.099 0.094 -1.444) 1.450 3.466 ( -3.567 -0.406 -4.159) 5.494 3.487 ( 2.319 -0.946 3.091) 3.979 3.509 ( -3.599 -1.591 -3.274) 5.119 3.624 ( -2.986 -1.344 -6.343) 7.139 3.692 ( 1.655 4.411 -0.255) 4.718 3.729 ( -1.082 5.609 -2.924) 6.418 3.909 ( -1.978 -2.807 0.602) 3.486 3.929 ( 1.206 -4.182 -1.128) 4.496 4.079 ( -3.001 -4.726 6.235) 8.380 4.189 ( 0.915 -1.284 -0.048) 1.577 4.219 ( 4.313 -3.292 -2.070) 5.807 4.271 ( -3.577 -3.621 -8.055) 9.528 4.369 ( -1.223 0.533 0.651) 1.485 4.426 ( 0.228 1.509 -4.749) 4.989 4.552 ( -0.702 1.966 2.931) 3.598 4.611 ( -0.805 1.054 -3.299) 3.555 4.655 ( -0.894 -1.646 -1.108) 2.176 4.681 ( 0.646 1.468 -3.735) 4.065 4.818 ( 0.540 0.108 -1.021) 1.160 4.837 ( -2.639 -0.949 -1.289) 3.086 4.925 ( -1.959 -0.834 2.365) 3.182 4.966 ( 3.396 -3.154 -1.726) 4.945 5.019 ( -0.101 2.051 4.146) 4.627 5.093 ( -0.453 4.353 -2.462) 5.022 5.227 ( 0.299 0.917 0.628) 1.151 5.253 ( -0.691 -0.302 -1.081) 1.318 5.347 ( 0.269 0.920 5.018) 5.109 5.425 ( 0.388 -2.255 2.987) 3.763 5.477 ( -0.310 0.576 -4.507) 4.554 5.492 ( 0.018 -0.704 -4.469) 4.524 5.687 ( -1.843 0.474 2.075) 2.815 5.710 ( 2.387 -0.350 0.233) 2.424 5.870 ( 0.902 4.054 4.161) 5.879 5.907 ( -1.980 1.643 1.071) 2.787 6.075 ( 1.320 -3.567 3.780) 5.362 6.143 ( -1.022 -3.515 2.752) 4.579 6.199 ( 2.184 1.728 -1.278) 3.064 6.216 ( -4.036 -3.594 -6.797) 8.683 6.341 ( -0.074 2.697 2.538) 3.704 6.434 ( -1.043 3.287 -5.551) 6.535 6.806 ( 1.071 1.340 2.438) 2.981 6.845 ( -1.633 0.691 -1.091) 2.082 6.987 ( 2.369 -6.066 4.455) 7.890 7.010 ( 1.594 1.074 0.868) 2.109 7.377 ( -0.616 4.552 1.732) 4.909 7.420 ( 5.341 0.839 -3.196) 6.281 7.659 ( -1.748 2.014 2.679) 3.780 7.747 ( 2.069 3.199 -5.640) 6.806 8.125 ( 0.233 -2.058 4.424) 4.884 8.184 ( -1.678 -4.834 -1.375) 5.298 11.968 ( -0.364 1.699 1.597) 2.360 12.001 ( 0.210 0.954 -1.727) 1.984 12.302 ( 0.900 -1.067 0.873) 1.646 12.318 ( -1.219 -1.983 -0.551) 2.392 12.399 ( 1.317 -0.413 1.537) 2.066 12.433 ( -1.168 -1.129 -1.797) 2.422 12.696 ( 1.370 0.332 0.272) 1.436 12.697 ( -1.247 0.302 0.109) 1.288 13.940 ( 0.790 -1.250 1.536) 2.132 13.950 ( -0.393 -0.580 0.403) 0.808 14.050 ( 0.388 -0.103 5.309) 5.324 14.135 ( 0.085 -0.761 0.739) 1.065 14.174 ( -0.550 -0.539 -4.686) 4.749 14.190 ( 0.126 -0.782 -2.530) 2.651 14.437 ( -0.309 -1.053 0.841) 1.383 14.452 ( -0.358 -0.468 -0.796) 0.990 16.643 ( -1.271 0.169 -0.165) 1.293 16.648 ( 1.575 0.881 -0.738) 1.950 16.745 ( 0.445 0.382 1.064) 1.215 16.764 ( -1.467 0.670 -0.781) 1.792 16.994 ( 0.199 1.502 1.170) 1.915 17.017 ( -0.470 1.417 -1.189) 1.909 17.162 ( -1.318 0.668 0.094) 1.481 17.167 ( 1.622 0.847 -0.406) 1.874 17.405 ( -0.877 0.697 1.521) 1.889 17.438 ( 0.525 -0.122 -1.796) 1.875 17.619 ( -0.447 0.779 2.111) 2.293 17.640 ( 0.130 0.515 -0.084) 0.538 17.688 ( -1.422 -1.112 -0.362) 1.842 17.707 ( 1.150 -0.007 -2.013) 2.318 17.779 ( -1.378 -1.479 0.665) 2.128 17.786 ( 1.334 -0.815 -0.192) 1.575 19.012 ( -0.558 -1.846 1.083) 2.212 19.032 ( 1.352 -0.508 -1.053) 1.788 19.119 ( 3.369 -2.328 1.566) 4.384 19.148 ( -1.205 -3.762 -1.090) 4.098 19.322 ( 4.512 -0.997 2.452) 5.231 19.357 ( -3.936 -0.080 -1.163) 4.105 19.403 ( -1.971 -1.723 1.769) 3.159 19.430 ( 2.580 -1.414 -1.104) 3.142 27.778 ( -0.104 1.628 1.365) 2.127 27.810 ( -0.569 2.357 -1.882) 3.070 27.917 ( 0.151 -2.558 0.119) 2.565 27.933 ( 0.928 -1.960 -1.632) 2.714 28.155 ( 1.587 2.952 0.553) 3.397 28.179 ( -1.673 4.507 -2.322) 5.339 28.445 ( 1.047 5.553 0.963) 5.732 28.472 ( -1.219 5.076 -1.654) 5.476 28.531 ( 0.835 1.847 0.602) 2.115 28.569 ( -0.326 -0.218 -2.631) 2.660 28.810 ( -0.144 1.761 3.781) 4.173 28.883 ( 0.370 -0.274 -3.681) 3.710 29.304 ( -0.380 5.750 1.813) 6.041 29.390 ( 1.245 3.462 -6.887) 7.808 30.160 ( 0.219 -0.978 4.590) 4.698 30.240 ( 0.030 -0.806 -3.996) 4.077 31.407 ( -0.815 1.565 10.007) 10.161 31.565 ( 1.715 1.800 -6.516) 6.975 31.765 ( 2.363 -2.467 7.664) 8.390 31.914 ( -2.958 -2.537 -7.492) 8.444 32.271 ( -1.397 3.827 13.974) 14.555 32.543 ( -0.863 4.674 -13.857) 14.650 33.924 ( -4.738 -22.838 19.794) 30.591 34.210 ( 2.378 -11.719 -12.396) 17.224 35.492 ( 1.479 1.601 0.542) 2.246 35.525 ( -2.692 1.455 -2.846) 4.179 35.845 ( -5.553 0.220 5.488) 7.811 35.940 ( 3.992 1.486 -4.441) 6.153 36.265 ( 4.291 0.425 3.751) 5.715 36.310 ( 0.557 0.004 -0.317) 0.641 36.753 ( -0.395 -2.491 9.725) 10.047 36.965 ( 0.370 -4.218 -11.394) 12.155 ======================= Grid point 98 (48/64) ======================= q-point: ( 0.17 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -9.638 11.101 16.995) 22.471 1.400 ( 5.537 19.961 16.255) 26.331 1.613 ( 2.864 8.851 -16.336) 18.798 1.702 ( -0.322 6.757 -26.178) 27.038 2.088 ( -1.850 8.030 20.405) 22.006 2.236 ( 0.434 0.510 2.859) 2.937 2.379 ( -3.231 8.141 -1.741) 8.930 2.411 ( -4.957 2.740 -2.944) 6.384 2.449 ( -1.484 0.935 -5.712) 5.975 2.574 ( -3.072 2.873 3.235) 5.306 2.675 ( -2.880 -3.149 0.465) 4.293 2.785 ( -4.540 6.517 -2.781) 8.415 2.891 ( -0.024 -2.096 0.307) 2.118 3.002 ( 0.207 2.496 0.416) 2.539 3.028 ( -4.631 0.212 -1.077) 4.760 3.073 ( 0.217 -1.146 3.018) 3.236 3.140 ( 0.240 -1.121 -1.361) 1.779 3.211 ( 0.958 1.714 -1.243) 2.324 3.268 ( -0.023 0.995 3.367) 3.511 3.284 ( 0.147 1.209 1.260) 1.752 3.409 ( -0.753 -2.265 -4.529) 5.119 3.421 ( 0.954 -0.205 8.373) 8.430 3.435 ( -0.503 -1.431 -2.752) 3.142 3.533 ( 2.230 -0.992 -4.574) 5.185 3.581 ( 5.080 -1.592 1.751) 5.604 3.667 ( 9.619 -0.681 1.652) 9.784 3.705 ( -0.326 3.417 -1.710) 3.835 3.775 ( 5.611 3.067 1.933) 6.680 3.870 ( -0.294 -2.104 0.526) 2.189 3.951 ( -0.750 -2.837 1.057) 3.119 4.063 ( 0.472 -4.673 7.066) 8.484 4.149 ( -2.931 -2.299 -2.200) 4.326 4.236 ( -0.607 -2.985 1.251) 3.292 4.275 ( 2.461 -1.010 -6.395) 6.926 4.293 ( -3.722 2.211 0.534) 4.362 4.478 ( 2.990 -2.230 -1.712) 4.104 4.549 ( -0.115 4.454 2.053) 4.906 4.591 ( -0.726 2.061 -2.187) 3.092 4.622 ( -1.923 -1.021 -0.597) 2.258 4.685 ( -0.054 -0.973 -1.416) 1.719 4.775 ( -1.758 -2.164 2.467) 3.723 4.846 ( 0.616 0.840 -1.361) 1.714 4.899 ( -0.353 0.160 -2.122) 2.158 5.022 ( -0.148 3.472 4.598) 5.764 5.041 ( 1.182 1.429 -0.871) 2.049 5.092 ( 3.172 -2.723 -0.457) 4.205 5.228 ( 0.010 -0.140 0.634) 0.649 5.252 ( 0.168 0.467 0.170) 0.525 5.348 ( -0.422 0.077 3.696) 3.721 5.433 ( -0.072 1.499 -1.169) 1.902 5.489 ( 1.971 -1.629 -0.122) 2.560 5.524 ( 3.157 -0.560 -2.892) 4.318 5.669 ( 0.482 -0.431 0.392) 0.756 5.774 ( 3.286 -1.215 -0.041) 3.504 5.825 ( -2.371 2.584 3.085) 4.671 5.955 ( 3.175 5.411 4.437) 7.684 6.112 ( 1.111 -2.984 3.099) 4.443 6.126 ( -0.766 -4.029 2.138) 4.625 6.150 ( -1.044 -2.427 -2.020) 3.326 6.235 ( 1.064 0.745 -0.446) 1.373 6.345 ( 0.213 1.322 0.801) 1.560 6.418 ( -0.114 3.340 -2.495) 4.170 6.772 ( -6.087 -0.562 -1.249) 6.239 6.820 ( 0.405 2.065 2.500) 3.267 6.937 ( -2.377 1.940 -3.360) 4.550 7.081 ( 1.602 -4.935 -0.056) 5.189 7.356 ( -1.109 4.112 -0.972) 4.369 7.467 ( -2.469 0.216 -6.745) 7.186 7.634 ( -0.037 2.123 1.003) 2.348 7.765 ( 0.042 2.265 -5.779) 6.207 8.070 ( -5.913 -1.706 2.841) 6.779 8.095 ( -5.048 -1.716 3.339) 6.291 11.923 ( -3.399 1.310 0.935) 3.761 11.969 ( -3.305 1.791 -0.698) 3.824 12.300 ( -0.165 -3.102 -0.012) 3.107 12.334 ( 0.654 -1.321 1.376) 2.017 12.391 ( -2.186 -0.481 -1.217) 2.548 12.414 ( 0.690 -0.101 0.093) 0.703 12.704 ( 1.920 0.351 0.211) 1.963 12.746 ( 2.953 0.365 0.072) 2.976 13.924 ( -0.860 -0.036 0.290) 0.909 13.958 ( -0.372 -1.489 1.269) 1.991 14.065 ( 0.330 -0.331 5.843) 5.862 14.118 ( -1.492 -0.459 -0.724) 1.721 14.166 ( -0.084 -0.768 -3.218) 3.310 14.185 ( -0.158 -0.232 -3.211) 3.223 14.442 ( 0.653 -1.102 1.482) 1.959 14.455 ( 0.664 -0.560 -0.127) 0.878 16.591 ( -2.761 0.652 -0.851) 2.962 16.622 ( -3.880 2.116 -0.771) 4.486 16.686 ( -2.894 -0.216 0.819) 3.015 16.752 ( -2.862 -0.549 0.352) 2.935 16.991 ( -0.331 2.355 1.518) 2.821 17.024 ( 1.662 0.887 -0.887) 2.082 17.194 ( 3.515 -0.009 -0.196) 3.520 17.232 ( 3.768 1.545 -0.523) 4.105 17.391 ( -0.194 0.346 1.241) 1.303 17.455 ( 0.850 0.126 -0.744) 1.137 17.612 ( -0.162 0.505 1.689) 1.771 17.641 ( -0.171 -0.772 0.489) 0.929 17.670 ( -0.021 -0.574 0.551) 0.796 17.721 ( 0.167 0.597 -1.975) 2.070 17.755 ( -0.656 -0.962 -0.091) 1.168 17.811 ( 0.699 -0.913 0.107) 1.155 18.969 ( -2.101 -1.296 -0.143) 2.473 19.055 ( -3.981 -2.047 -1.668) 4.777 19.079 ( -1.638 -0.527 -2.238) 2.823 19.133 ( -1.143 -2.427 -2.376) 3.583 19.286 ( -0.188 -0.030 1.583) 1.595 19.361 ( 0.288 -1.286 2.669) 2.977 19.486 ( 5.509 -1.007 -1.104) 5.708 19.497 ( 3.458 -2.534 -0.928) 4.387 27.776 ( -0.267 1.958 1.603) 2.545 27.807 ( 0.417 1.849 -1.212) 2.250 27.888 ( -1.063 -1.613 -1.214) 2.281 27.971 ( 0.537 -1.692 -1.329) 2.218 28.117 ( -0.432 0.923 0.027) 1.020 28.234 ( 2.449 2.010 -0.807) 3.269 28.439 ( -1.136 4.139 -0.822) 4.370 28.469 ( 0.451 5.800 0.629) 5.851 28.525 ( -1.231 -0.562 0.899) 1.625 28.564 ( 0.137 2.445 -3.459) 4.239 28.810 ( -0.174 2.492 3.099) 3.981 28.885 ( 0.120 -0.031 -3.517) 3.520 29.333 ( 3.369 3.267 2.099) 5.141 29.449 ( 4.514 3.848 -8.117) 10.053 30.164 ( -0.104 -0.923 2.632) 2.791 30.226 ( -1.047 0.108 -3.260) 3.426 31.421 ( 1.499 1.226 8.764) 8.976 31.630 ( 5.203 1.662 -6.149) 8.225 31.804 ( 0.225 -3.461 10.648) 11.199 31.872 ( -0.398 -1.303 -8.207) 8.319 32.211 ( -5.489 3.999 14.554) 16.060 32.492 ( -2.887 4.005 -10.196) 11.329 33.517 ( -27.995 -7.497 26.042) 38.963 34.116 ( -11.825 -11.802 -14.401) 22.057 35.498 ( 4.810 -0.322 1.219) 4.972 35.625 ( 4.967 0.414 0.025) 4.985 35.821 ( 0.396 -0.059 4.065) 4.085 36.059 ( 7.100 -2.143 1.610) 7.589 36.150 ( -4.895 3.911 -2.062) 6.595 36.578 ( 14.588 -4.642 -6.852) 16.772 36.736 ( -2.165 -2.868 9.298) 9.969 36.953 ( -0.654 -4.091 -11.833) 12.537 ======================= Grid point 99 (49/64) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.995 6.673 6.731) 9.530 1.467 ( -5.997 11.459 -11.904) 17.578 1.567 ( -4.270 9.742 -0.611) 10.654 1.690 ( 5.617 9.001 -14.145) 17.683 1.985 ( -8.027 8.961 12.142) 17.093 2.187 ( -4.417 4.738 -7.998) 10.293 2.279 ( -1.967 8.552 -4.673) 9.942 2.362 ( -5.935 3.638 1.650) 7.154 2.452 ( 1.526 1.078 -1.758) 2.565 2.527 ( -0.053 0.137 5.555) 5.557 2.634 ( -1.540 1.267 -1.007) 2.234 2.685 ( -4.061 4.663 -1.738) 6.423 2.886 ( -0.679 0.568 -0.326) 0.943 2.941 ( -3.907 -1.712 1.501) 4.522 3.015 ( 1.442 -1.641 4.623) 5.114 3.097 ( 2.691 1.566 1.649) 3.524 3.151 ( -0.196 -2.662 3.559) 4.449 3.226 ( 0.208 0.776 -1.572) 1.766 3.268 ( -2.720 -0.208 -0.727) 2.823 3.305 ( 1.704 0.198 1.859) 2.530 3.343 ( -1.230 0.970 -10.275) 10.393 3.410 ( -1.444 2.816 -0.969) 3.310 3.471 ( 1.797 -2.928 -3.951) 5.236 3.569 ( 0.726 1.533 -0.913) 1.927 3.634 ( -2.889 -1.974 3.161) 4.715 3.701 ( 4.945 -3.287 3.880) 7.093 3.823 ( 4.212 -3.002 3.946) 6.506 3.837 ( -0.826 -5.056 -1.864) 5.452 3.948 ( 2.402 0.239 1.910) 3.079 3.971 ( 8.628 2.737 1.263) 9.139 4.050 ( -2.407 0.107 2.633) 3.569 4.108 ( -2.544 0.413 1.210) 2.847 4.237 ( 1.942 -4.166 5.318) 7.029 4.304 ( 3.910 -0.912 2.681) 4.827 4.324 ( 2.363 2.712 -2.540) 4.403 4.500 ( 0.265 0.207 0.566) 0.658 4.522 ( -1.972 0.187 -4.325) 4.757 4.580 ( -0.319 2.702 -1.607) 3.160 4.619 ( 0.276 -0.057 2.387) 2.404 4.654 ( -2.606 -2.220 -1.464) 3.723 4.786 ( 2.492 -1.211 3.828) 4.725 4.850 ( 0.001 0.030 -0.754) 0.754 4.907 ( 1.326 1.218 -4.201) 4.571 4.985 ( -3.872 5.489 1.438) 6.869 5.069 ( 3.071 0.300 2.022) 3.689 5.155 ( 1.321 -4.825 2.095) 5.423 5.241 ( 1.701 -0.405 1.427) 2.257 5.272 ( 1.282 0.183 1.067) 1.678 5.348 ( 0.152 0.212 2.692) 2.704 5.434 ( 0.562 3.911 -2.150) 4.499 5.525 ( 0.985 -3.327 2.558) 4.311 5.570 ( 1.549 0.020 -3.265) 3.614 5.705 ( 2.514 -2.459 0.403) 3.540 5.808 ( -0.081 1.653 4.663) 4.948 5.828 ( 3.037 -1.235 -1.047) 3.441 5.995 ( 0.264 6.456 4.887) 8.101 6.099 ( -1.485 -0.000 -1.501) 2.112 6.116 ( -0.259 -5.318 2.447) 5.860 6.187 ( 2.386 -5.222 3.604) 6.779 6.241 ( -0.276 1.586 2.215) 2.738 6.350 ( 0.695 0.423 -2.167) 2.315 6.433 ( 1.753 3.238 2.517) 4.460 6.639 ( -5.689 1.127 -7.150) 9.206 6.830 ( 0.428 2.279 2.972) 3.770 6.897 ( -2.302 0.381 -5.478) 5.954 7.049 ( -5.387 -3.283 -6.703) 9.205 7.325 ( -3.465 2.778 -3.070) 5.399 7.359 ( -3.002 7.280 -0.582) 7.896 7.654 ( 1.323 1.322 -0.741) 2.012 7.748 ( -1.093 1.045 -3.811) 4.100 7.988 ( -2.512 -1.104 3.297) 4.290 8.013 ( -2.979 -1.359 1.192) 3.485 11.865 ( -2.194 1.468 0.616) 2.710 11.898 ( -3.280 1.789 -0.373) 3.755 12.285 ( -1.145 -2.874 0.682) 3.168 12.315 ( -1.898 -2.226 -0.394) 2.952 12.384 ( 1.068 0.024 1.358) 1.728 12.434 ( 1.039 -0.300 -1.569) 1.905 12.751 ( 2.379 0.534 0.785) 2.561 12.791 ( 1.490 0.327 -0.268) 1.549 13.918 ( 0.053 -0.026 0.322) 0.327 13.937 ( -1.554 -0.717 1.744) 2.443 14.065 ( -0.724 -0.477 3.590) 3.693 14.089 ( -1.148 0.168 0.392) 1.224 14.165 ( 0.147 -0.801 -2.080) 2.234 14.187 ( 0.705 0.302 -3.564) 3.646 14.459 ( 0.752 -1.211 1.691) 2.212 14.472 ( 0.860 -0.700 0.097) 1.113 16.544 ( -2.140 0.543 -0.732) 2.326 16.566 ( -1.513 0.652 -1.759) 2.410 16.627 ( -2.223 0.113 0.763) 2.353 16.685 ( -3.500 -0.086 0.185) 3.506 16.998 ( 0.920 1.679 1.595) 2.492 17.052 ( 0.781 0.797 -0.820) 1.385 17.256 ( 2.473 0.464 -0.251) 2.528 17.282 ( 1.345 1.741 -0.453) 2.246 17.406 ( 1.481 -0.308 0.902) 1.761 17.461 ( -0.124 0.146 -0.540) 0.573 17.615 ( 0.343 -0.120 1.054) 1.115 17.647 ( 0.728 -1.151 1.287) 1.874 17.678 ( 0.360 -0.780 1.492) 1.722 17.710 ( -0.945 1.303 -2.074) 2.625 17.753 ( 0.321 -1.110 -0.674) 1.338 17.808 ( -0.933 -0.331 -0.672) 1.197 18.938 ( -1.147 -1.391 -1.224) 2.179 18.977 ( -3.359 -1.045 -0.211) 3.525 19.015 ( -2.401 0.368 -3.314) 4.109 19.111 ( -2.106 -1.530 -4.267) 4.998 19.318 ( 3.214 -1.219 3.897) 5.196 19.400 ( 2.150 -2.028 3.693) 4.730 19.535 ( 0.637 -0.332 -1.385) 1.560 19.551 ( 1.508 0.152 -1.281) 1.985 27.772 ( -0.130 1.695 1.575) 2.317 27.818 ( 0.470 2.511 -1.795) 3.123 27.881 ( 0.420 -1.494 -0.548) 1.646 27.951 ( -1.741 -0.314 -0.781) 1.933 28.147 ( 2.505 -1.934 1.096) 3.349 28.247 ( -0.721 -0.368 -0.792) 1.132 28.425 ( -0.201 3.001 -0.318) 3.024 28.463 ( -1.116 3.210 0.467) 3.430 28.508 ( -0.585 1.468 1.972) 2.527 28.565 ( 0.327 3.308 -4.781) 5.823 28.810 ( 0.006 3.316 2.929) 4.424 28.883 ( -0.053 0.411 -3.214) 3.240 29.419 ( 4.462 1.332 2.018) 5.075 29.520 ( 3.007 2.366 -7.058) 8.028 30.159 ( -0.337 -0.237 -0.080) 0.420 30.198 ( -1.685 1.136 -1.652) 2.619 31.475 ( 3.241 0.669 8.706) 9.314 31.710 ( -0.042 -1.058 -0.427) 1.141 31.785 ( -1.260 -0.977 11.804) 11.911 31.885 ( 2.629 0.505 -9.795) 10.155 32.136 ( -1.819 3.623 11.898) 12.569 32.427 ( -2.901 4.773 -8.876) 10.487 33.121 ( -13.629 -1.031 29.752) 32.741 33.820 ( -14.220 -7.341 -23.506) 28.436 35.622 ( 6.675 -1.482 -0.196) 6.840 35.703 ( 2.956 -0.003 1.070) 3.144 35.819 ( -0.640 0.201 3.123) 3.195 36.005 ( -6.205 -0.810 -0.247) 6.262 36.282 ( 10.615 -0.268 8.107) 13.359 36.677 ( -4.003 -3.524 11.659) 12.821 36.792 ( 7.540 -5.255 -14.073) 16.808 36.919 ( -1.896 -3.510 -12.490) 13.111 ======================= Grid point 100 (50/64) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 5.325 4.005 8.082) 10.474 1.203 ( -11.958 5.454 -25.342) 28.548 1.504 ( -7.832 11.689 16.072) 21.360 1.811 ( 6.758 10.123 -8.116) 14.629 1.897 ( -0.847 11.185 7.434) 13.457 2.132 ( -2.327 9.543 -7.304) 12.240 2.240 ( -1.069 5.596 -1.550) 5.904 2.262 ( 0.310 4.316 -5.379) 6.903 2.502 ( 3.224 4.672 3.547) 6.694 2.560 ( 1.036 -3.734 1.443) 4.135 2.597 ( -1.873 5.382 -2.013) 6.044 2.634 ( -0.948 -0.536 -1.812) 2.114 2.875 ( -1.237 -1.122 5.779) 6.016 2.901 ( 0.464 0.888 2.801) 2.975 3.035 ( -0.114 -3.211 7.162) 7.850 3.098 ( -4.867 -0.759 6.811) 8.405 3.146 ( -1.108 -1.561 -1.959) 2.739 3.213 ( 2.162 -0.060 -1.192) 2.470 3.253 ( -0.030 -0.427 -2.275) 2.315 3.310 ( -2.569 2.454 -5.940) 6.922 3.335 ( 1.745 0.162 -1.363) 2.220 3.380 ( 0.059 1.735 -4.752) 5.059 3.504 ( 2.387 0.452 -0.638) 2.512 3.525 ( -2.076 0.274 -3.324) 3.928 3.690 ( 5.357 -2.874 2.745) 6.671 3.728 ( -1.392 -3.604 -0.162) 3.867 3.837 ( 0.166 -4.549 2.740) 5.313 3.876 ( 1.538 -4.575 -1.093) 4.949 3.987 ( -2.571 1.233 2.478) 3.777 4.000 ( 1.123 1.625 2.887) 3.498 4.045 ( -3.053 0.691 1.278) 3.382 4.117 ( 4.814 2.470 -2.821) 6.102 4.287 ( 1.006 -3.448 5.635) 6.683 4.339 ( -0.445 1.444 0.277) 1.537 4.371 ( 1.316 2.679 5.060) 5.875 4.480 ( -2.428 1.079 -5.584) 6.184 4.520 ( 1.889 -1.092 0.395) 2.217 4.585 ( -0.269 -2.352 -3.934) 4.591 4.608 ( 1.254 1.093 1.374) 2.158 4.639 ( 1.286 -2.676 -0.750) 3.062 4.839 ( -0.786 -0.884 -0.399) 1.248 4.851 ( 3.137 1.136 1.149) 3.529 4.901 ( -3.241 4.934 0.625) 5.936 4.944 ( 1.835 2.835 -4.788) 5.859 5.140 ( 2.711 -0.768 2.867) 4.020 5.156 ( -1.394 -2.950 1.021) 3.419 5.265 ( 0.453 -0.101 2.560) 2.602 5.281 ( -0.405 -0.681 0.188) 0.815 5.356 ( 0.473 1.241 2.399) 2.742 5.444 ( 0.392 3.377 -3.824) 5.116 5.520 ( -1.511 -3.100 4.428) 5.612 5.589 ( 0.488 0.046 -2.134) 2.189 5.742 ( 0.646 -2.091 2.382) 3.235 5.800 ( -0.847 -3.701 0.025) 3.796 5.918 ( 5.399 -0.477 3.170) 6.279 5.955 ( -5.078 2.274 2.336) 6.035 6.067 ( -0.750 1.338 1.261) 1.986 6.120 ( 0.306 -0.710 0.283) 0.824 6.207 ( -0.874 -4.389 3.362) 5.597 6.236 ( 0.395 -0.182 3.841) 3.865 6.377 ( 1.780 0.404 -1.426) 2.316 6.464 ( -0.061 3.889 1.717) 4.252 6.619 ( 5.326 0.805 -1.776) 5.672 6.781 ( -8.558 -2.338 -12.347) 15.203 6.841 ( 0.435 2.414 3.671) 4.415 6.944 ( -2.336 3.653 -6.897) 8.147 7.280 ( -0.970 6.257 3.165) 7.079 7.346 ( 0.364 3.867 -2.578) 4.662 7.677 ( 1.077 1.190 0.817) 1.801 7.719 ( -1.491 0.954 -3.146) 3.609 7.968 ( 0.336 -1.788 2.101) 2.780 7.995 ( 0.761 -1.472 -0.907) 1.889 11.847 ( 0.062 1.806 0.756) 1.959 11.862 ( 0.071 1.424 -0.752) 1.612 12.268 ( -0.503 -2.289 1.590) 2.832 12.298 ( 0.437 -2.478 -1.424) 2.891 12.402 ( 0.265 -0.013 1.981) 1.999 12.442 ( -0.197 -0.679 -2.140) 2.254 12.781 ( 0.259 0.281 1.384) 1.435 12.801 ( -0.291 0.565 -0.760) 0.991 13.903 ( -1.291 -0.322 2.773) 3.076 13.935 ( 0.984 -0.112 -0.372) 1.058 14.052 ( -0.492 -0.595 2.325) 2.450 14.078 ( -0.137 0.569 0.889) 1.064 14.165 ( -0.022 -0.551 -1.320) 1.431 14.202 ( 0.959 0.204 -3.855) 3.977 14.469 ( 0.124 -1.290 1.389) 1.899 14.483 ( 0.300 -0.692 -0.180) 0.776 16.519 ( -0.652 0.348 0.564) 0.930 16.542 ( -0.016 0.025 -1.932) 1.933 16.631 ( 1.280 0.138 -0.138) 1.295 16.633 ( -0.552 0.257 -0.333) 0.694 17.018 ( 0.587 0.871 1.977) 2.239 17.052 ( -0.364 1.213 -1.496) 1.960 17.283 ( 0.143 1.285 0.138) 1.300 17.289 ( -0.316 0.953 -0.560) 1.149 17.434 ( 0.966 -0.286 0.746) 1.254 17.451 ( -0.688 -0.214 -1.012) 1.243 17.628 ( 0.725 -0.206 1.645) 1.810 17.652 ( -0.625 -0.762 0.160) 0.998 17.684 ( 0.488 -0.547 0.859) 1.130 17.699 ( 0.152 0.633 -1.169) 1.339 17.759 ( 0.024 -1.112 0.669) 1.298 17.785 ( -0.873 0.184 -1.747) 1.961 18.915 ( -1.164 -0.306 -0.085) 1.206 18.934 ( -0.532 -1.279 -1.516) 2.053 19.008 ( 1.228 0.193 0.830) 1.495 19.060 ( -2.261 -0.905 -4.162) 4.822 19.390 ( 3.077 -2.278 3.783) 5.382 19.414 ( -1.112 -3.481 1.729) 4.043 19.531 ( -0.709 2.077 0.866) 2.360 19.553 ( -1.027 0.984 -1.728) 2.238 27.775 ( 0.232 1.459 1.723) 2.269 27.817 ( -0.217 2.943 -2.615) 3.943 27.901 ( 0.861 -1.389 0.813) 1.825 27.918 ( -1.026 -0.583 -0.948) 1.514 28.186 ( 0.371 -0.760 2.226) 2.381 28.227 ( -0.068 -2.156 -1.964) 2.917 28.430 ( -0.078 2.235 0.679) 2.337 28.441 ( 0.026 2.639 -0.417) 2.672 28.498 ( -0.684 2.387 2.632) 3.619 28.569 ( 0.366 3.152 -4.964) 5.892 28.815 ( 0.137 3.645 3.123) 4.802 28.878 ( -0.130 0.614 -3.269) 3.328 29.467 ( -0.621 1.044 2.502) 2.781 29.548 ( 0.523 1.164 -6.520) 6.644 30.154 ( -1.025 0.747 0.434) 1.340 30.173 ( 0.557 0.962 -1.607) 1.954 31.552 ( 3.339 0.276 10.388) 10.915 31.623 ( -6.039 -2.331 10.289) 12.156 31.745 ( -4.206 2.978 2.470) 5.715 31.981 ( 6.174 -0.906 -10.694) 12.381 32.168 ( 3.374 3.732 9.313) 10.585 32.375 ( -1.027 5.488 -10.993) 12.330 33.043 ( 2.536 -2.202 32.126) 32.301 33.610 ( -4.134 -4.541 -26.667) 27.365 35.698 ( -3.560 -1.245 1.137) 3.939 35.729 ( 3.818 -0.692 -2.100) 4.412 35.856 ( 4.351 0.421 3.180) 5.406 35.898 ( -3.980 0.485 -0.767) 4.082 36.462 ( 5.555 -2.461 13.655) 14.946 36.592 ( -4.810 -5.417 7.888) 10.710 36.835 ( -3.452 -3.194 -13.120) 13.938 36.898 ( 2.724 -3.511 -12.537) 13.301 ======================= Grid point 101 (51/64) ======================= q-point: (-0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 8.017 5.363 19.588) 21.834 1.075 ( 1.478 8.447 -16.082) 18.225 1.362 ( -6.078 12.226 13.100) 18.922 1.839 ( -0.940 17.967 9.704) 20.441 1.924 ( -3.533 11.396 -6.407) 13.543 2.124 ( 7.269 0.444 -2.824) 7.811 2.297 ( 2.634 6.992 -2.194) 7.787 2.334 ( 6.145 2.213 -0.011) 6.531 2.508 ( -2.522 -1.589 -4.319) 5.247 2.557 ( 1.929 5.449 5.379) 7.895 2.615 ( 0.906 -0.834 -2.734) 2.999 2.655 ( 3.983 0.962 1.224) 4.277 2.861 ( -0.341 -1.169 3.365) 3.579 2.928 ( 1.067 1.638 5.691) 6.018 3.026 ( -0.754 -0.871 4.950) 5.082 3.053 ( 0.836 -0.004 5.726) 5.786 3.080 ( -3.645 -0.325 2.259) 4.301 3.221 ( -1.147 1.115 0.211) 1.614 3.262 ( 0.439 -2.582 -2.674) 3.743 3.283 ( 0.778 -0.004 -3.500) 3.586 3.371 ( -0.290 -0.300 -3.075) 3.103 3.424 ( 5.807 1.836 -1.866) 6.370 3.495 ( -1.232 -0.529 -4.895) 5.075 3.552 ( 1.766 2.854 0.729) 3.434 3.687 ( -2.428 -4.072 -0.905) 4.827 3.785 ( 2.737 -0.623 -1.620) 3.241 3.801 ( -3.830 -5.196 -0.337) 6.464 3.860 ( -4.719 -2.593 0.875) 5.455 3.951 ( -3.938 0.792 1.575) 4.315 3.971 ( 1.374 -0.288 0.385) 1.456 4.037 ( 1.198 -0.236 0.827) 1.475 4.165 ( -0.114 1.005 -1.567) 1.865 4.247 ( -4.398 -1.969 2.736) 5.541 4.307 ( -1.094 2.119 -2.622) 3.544 4.413 ( -1.313 -0.227 -1.064) 1.706 4.425 ( 1.603 2.835 -0.297) 3.271 4.551 ( 0.860 -0.260 -1.235) 1.527 4.597 ( 1.561 -3.104 -3.320) 4.806 4.644 ( 2.048 -0.359 0.009) 2.080 4.676 ( 1.008 -1.256 -2.950) 3.361 4.816 ( -1.383 -0.143 -1.777) 2.256 4.849 ( -0.489 0.596 0.384) 0.861 4.912 ( 1.238 2.482 -5.184) 5.879 4.989 ( 3.112 1.982 1.757) 4.087 5.107 ( -2.766 -0.533 -1.640) 3.260 5.137 ( -3.552 -1.644 4.767) 6.168 5.256 ( -1.287 0.287 0.099) 1.323 5.276 ( -0.316 0.753 -0.807) 1.148 5.369 ( 0.273 1.471 2.448) 2.869 5.442 ( -0.126 0.238 -3.274) 3.285 5.494 ( -1.166 -0.731 2.815) 3.134 5.566 ( -2.828 0.521 -1.298) 3.155 5.723 ( -1.762 -3.546 0.342) 3.975 5.781 ( -2.240 -3.242 1.021) 4.070 5.848 ( -3.480 1.686 1.052) 4.008 6.003 ( 1.318 -0.443 3.777) 4.024 6.072 ( 0.604 2.093 2.711) 3.478 6.126 ( 0.381 0.832 -2.645) 2.799 6.170 ( -1.457 -3.160 2.571) 4.327 6.291 ( 3.494 -0.355 6.195) 7.121 6.386 ( -1.455 -1.170 -3.971) 4.388 6.487 ( 3.674 3.036 5.473) 7.257 6.589 ( -5.067 -0.757 -14.439) 15.321 6.798 ( 5.367 -1.449 4.088) 6.900 6.863 ( 1.892 3.207 5.604) 6.728 6.934 ( 2.458 3.373 -2.606) 4.921 7.275 ( 0.422 6.792 2.853) 7.379 7.360 ( 1.131 3.390 -0.936) 3.694 7.683 ( -0.522 0.942 -0.573) 1.220 7.704 ( 0.296 1.931 -1.560) 2.500 8.002 ( 2.940 -1.632 1.051) 3.523 8.039 ( 4.023 -2.721 -0.959) 4.950 11.868 ( 2.302 1.135 0.412) 2.599 11.899 ( 3.345 2.027 -0.637) 3.963 12.275 ( 0.944 -2.775 1.260) 3.191 12.322 ( 1.672 -1.941 -0.550) 2.620 12.399 ( -0.364 -0.401 0.748) 0.923 12.424 ( -1.264 -0.148 -1.428) 1.913 12.756 ( -2.504 -0.085 0.405) 2.538 12.786 ( -1.466 0.781 0.176) 1.671 13.892 ( -0.019 0.089 2.654) 2.656 13.954 ( 0.839 -0.772 0.353) 1.193 14.052 ( -0.010 -0.467 2.518) 2.561 14.085 ( 0.874 0.516 1.314) 1.660 14.165 ( 0.308 -0.734 -1.772) 1.943 14.211 ( 0.140 -0.035 -4.501) 4.503 14.465 ( -0.609 -1.270 0.911) 1.677 14.481 ( -0.461 -0.606 -0.693) 1.029 16.529 ( 1.877 0.782 0.380) 2.068 16.560 ( 1.692 1.110 -0.755) 2.160 16.646 ( 2.706 0.188 -1.106) 2.929 16.689 ( 3.590 -1.281 -0.275) 3.822 17.012 ( -0.977 0.661 0.803) 1.427 17.048 ( -0.308 1.864 -0.868) 2.079 17.256 ( -2.526 0.661 -0.273) 2.625 17.275 ( -1.579 1.552 0.213) 2.225 17.423 ( -1.227 -0.920 -0.410) 1.588 17.455 ( 0.362 0.503 -0.311) 0.694 17.626 ( -0.629 -0.277 0.440) 0.816 17.647 ( -0.264 0.223 0.525) 0.629 17.696 ( 0.652 -1.299 -0.290) 1.482 17.705 ( 0.466 -0.125 -0.873) 0.998 17.748 ( -0.532 -0.266 -0.146) 0.612 17.788 ( 0.850 -0.816 0.869) 1.464 18.910 ( 0.950 -0.523 1.928) 2.212 18.949 ( 2.101 0.055 0.630) 2.194 19.025 ( 0.048 -1.186 -2.291) 2.580 19.050 ( 1.691 -0.579 1.382) 2.259 19.361 ( -3.057 -2.353 -0.268) 3.867 19.439 ( 0.603 -2.740 1.170) 3.040 19.496 ( -2.787 0.858 1.316) 3.199 19.523 ( -2.046 1.214 0.943) 2.560 27.780 ( 0.004 1.393 1.446) 2.007 27.818 ( 0.749 3.137 -2.418) 4.031 27.877 ( -1.639 -0.768 -0.172) 1.818 27.941 ( 1.612 -0.615 0.241) 1.742 28.154 ( -2.662 -2.314 0.542) 3.568 28.250 ( 1.211 0.646 -1.231) 1.844 28.420 ( -0.212 4.046 0.160) 4.054 28.467 ( 1.466 1.665 0.086) 2.220 28.490 ( 0.044 3.098 2.458) 3.955 28.570 ( 0.129 2.278 -4.087) 4.680 28.817 ( -0.238 3.125 3.312) 4.560 28.875 ( 0.116 0.326 -3.414) 3.431 29.410 ( -4.444 1.866 2.186) 5.293 29.518 ( -3.286 2.670 -5.995) 7.340 30.140 ( -0.074 -0.064 1.815) 1.818 30.202 ( 1.891 0.307 -1.722) 2.576 31.507 ( -5.270 0.028 14.254) 15.197 31.632 ( 0.594 0.241 4.658) 4.702 31.663 ( -1.669 1.665 -1.542) 2.817 32.040 ( 0.118 -3.771 -5.931) 7.029 32.221 ( 0.878 3.187 7.227) 7.947 32.420 ( 6.564 8.112 -13.106) 16.753 33.256 ( 16.219 -6.860 34.730) 38.940 33.650 ( 10.751 -3.374 -23.873) 26.398 35.606 ( -5.487 -2.170 1.025) 5.989 35.729 ( -2.989 2.044 -1.228) 3.824 35.883 ( 1.691 -0.294 -3.194) 3.626 35.961 ( 5.836 -0.248 3.778) 6.957 36.390 ( -11.514 -7.997 3.647) 14.486 36.590 ( -0.718 -3.233 7.176) 7.904 36.737 ( -3.668 0.494 -3.268) 4.938 36.936 ( 2.041 -4.026 -12.348) 13.147 ======================= Grid point 102 (52/64) ======================= q-point: (-0.17 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 3.767 7.840 12.777) 15.456 1.184 ( 5.104 12.348 19.652) 23.764 1.355 ( 6.551 11.360 -6.206) 14.508 1.762 ( -5.871 13.162 -16.953) 22.251 1.899 ( 1.980 18.946 28.666) 34.418 2.241 ( 0.512 1.327 2.055) 2.499 2.313 ( 1.167 -0.532 -0.611) 1.421 2.451 ( 7.095 -1.530 -2.376) 7.637 2.521 ( 2.070 5.086 -2.398) 5.992 2.608 ( 1.479 -0.244 1.426) 2.069 2.628 ( 4.205 0.797 0.672) 4.332 2.737 ( 1.654 -1.507 3.281) 3.971 2.874 ( 2.356 1.241 1.012) 2.849 2.975 ( 1.966 2.576 3.044) 4.446 3.014 ( 0.858 -0.922 3.051) 3.301 3.041 ( -0.120 2.565 7.443) 7.873 3.142 ( 4.674 -0.179 0.902) 4.764 3.195 ( 0.251 0.114 -0.221) 0.353 3.268 ( -2.136 -0.566 -6.429) 6.798 3.293 ( 2.665 -1.857 2.858) 4.326 3.358 ( -1.061 0.138 3.034) 3.217 3.432 ( -3.150 1.809 -7.356) 8.204 3.535 ( 0.694 -1.353 -3.987) 4.267 3.551 ( 0.220 4.055 -1.420) 4.302 3.636 ( -7.380 -2.592 -3.917) 8.747 3.666 ( -3.403 -1.839 1.030) 4.003 3.718 ( -8.023 0.013 -0.403) 8.033 3.795 ( -2.826 2.200 0.039) 3.582 3.893 ( -0.634 -3.789 -1.366) 4.078 3.980 ( -1.919 -1.104 -1.879) 2.904 4.110 ( 5.401 -3.360 1.207) 6.475 4.141 ( -1.893 -1.292 2.521) 3.407 4.170 ( -1.530 -1.784 0.618) 2.430 4.328 ( 1.832 2.456 -3.753) 4.845 4.350 ( -2.150 -2.153 -8.414) 8.947 4.467 ( -0.898 1.271 -0.751) 1.728 4.559 ( 0.273 1.203 0.311) 1.272 4.612 ( 0.673 -2.627 -3.128) 4.140 4.659 ( -0.388 -1.852 -1.722) 2.558 4.680 ( 0.301 3.144 -3.051) 4.391 4.799 ( 0.296 0.517 -1.757) 1.855 4.870 ( 1.266 -2.652 -1.468) 3.285 4.909 ( 0.247 1.353 -4.211) 4.430 5.020 ( -1.049 -1.238 1.180) 2.006 5.030 ( -5.971 -1.919 6.828) 9.271 5.090 ( 0.634 3.935 -1.421) 4.232 5.231 ( -0.992 1.243 -1.550) 2.221 5.267 ( -0.194 1.670 -1.714) 2.401 5.355 ( -1.569 0.749 4.148) 4.498 5.429 ( -1.046 -2.682 2.149) 3.593 5.485 ( 0.125 1.072 -3.999) 4.143 5.516 ( -1.812 0.321 -1.295) 2.250 5.688 ( -1.156 -1.820 -1.457) 2.602 5.734 ( -2.140 -0.736 3.207) 3.925 5.833 ( 0.930 2.347 2.202) 3.349 5.974 ( -3.295 0.998 3.239) 4.727 6.072 ( -0.884 -0.963 1.190) 1.768 6.144 ( 1.466 -1.169 0.290) 1.897 6.164 ( 0.266 -1.036 1.714) 2.020 6.309 ( -3.920 -3.028 -5.989) 7.773 6.341 ( -0.105 2.370 -0.190) 2.380 6.469 ( -2.305 2.017 -8.201) 8.754 6.706 ( 11.062 -2.994 5.906) 12.892 6.843 ( 1.735 0.407 2.877) 3.384 6.881 ( 0.836 2.863 1.262) 3.238 7.015 ( 2.088 -0.125 5.506) 5.890 7.316 ( 3.764 5.700 2.051) 7.132 7.383 ( 0.853 3.217 1.932) 3.848 7.679 ( -0.297 1.422 1.135) 1.843 7.712 ( 1.263 2.995 -3.995) 5.150 8.074 ( 3.902 -1.379 1.945) 4.572 8.137 ( 5.246 -4.861 -0.829) 7.200 11.928 ( 3.349 0.982 0.657) 3.551 11.968 ( 3.213 1.955 -0.976) 3.886 12.291 ( 0.292 -2.924 0.732) 3.028 12.344 ( 0.316 -1.060 0.946) 1.455 12.382 ( -1.027 -0.193 -0.897) 1.377 12.425 ( 1.518 -0.744 -0.792) 1.867 12.704 ( -2.225 0.155 0.126) 2.234 12.743 ( -2.753 0.451 0.389) 2.816 13.908 ( 1.429 -0.197 2.234) 2.659 13.962 ( -0.188 -1.000 0.812) 1.302 14.048 ( -0.448 0.008 3.627) 3.654 14.113 ( 1.643 -0.313 1.624) 2.331 14.176 ( 0.806 -1.193 -2.196) 2.626 14.200 ( -0.806 -0.097 -5.039) 5.104 14.450 ( -0.898 -1.152 0.599) 1.579 14.467 ( -0.889 -0.524 -1.071) 1.488 16.587 ( 3.682 1.374 -0.522) 3.964 16.614 ( 3.673 1.289 0.075) 3.893 16.700 ( 2.231 -0.607 -0.457) 2.356 16.762 ( 3.284 -1.236 -0.719) 3.582 16.998 ( -0.613 0.971 1.045) 1.552 17.029 ( -1.116 2.479 -1.561) 3.135 17.194 ( -3.376 0.269 -0.227) 3.394 17.223 ( -3.662 1.487 0.293) 3.963 17.408 ( -0.125 -0.759 0.120) 0.779 17.450 ( -0.895 0.973 -0.959) 1.633 17.620 ( -0.071 0.090 0.855) 0.862 17.640 ( -0.134 0.134 0.331) 0.382 17.696 ( -0.083 0.140 -1.377) 1.386 17.709 ( -0.466 -1.112 -1.180) 1.688 17.756 ( 1.253 -0.585 -0.272) 1.409 17.801 ( -0.114 -1.939 1.382) 2.384 18.957 ( 3.223 -1.240 1.322) 3.698 19.028 ( 5.888 -0.338 3.697) 6.961 19.048 ( 1.603 -1.750 -0.433) 2.412 19.074 ( 1.557 -1.437 2.205) 3.058 19.313 ( -1.902 -0.502 -0.861) 2.148 19.409 ( -1.814 -1.294 -2.160) 3.103 19.456 ( -2.156 -1.704 3.150) 4.180 19.461 ( -4.527 -0.047 1.154) 4.672 27.779 ( -0.112 1.392 1.206) 1.845 27.827 ( -0.462 3.370 -3.278) 4.724 27.869 ( 1.711 -1.146 0.779) 2.202 27.958 ( -0.379 -1.450 -0.031) 1.499 28.117 ( -0.208 0.360 0.106) 0.429 28.243 ( -2.192 2.892 -1.697) 4.005 28.425 ( 0.725 5.314 0.474) 5.384 28.484 ( 0.346 1.635 0.350) 1.707 28.508 ( 1.154 5.108 -0.046) 5.237 28.570 ( 0.297 0.043 -2.633) 2.651 28.813 ( -0.419 2.065 3.738) 4.291 28.878 ( 0.435 -0.111 -3.522) 3.550 29.334 ( -2.962 4.314 1.814) 5.539 29.431 ( -4.264 3.684 -5.772) 8.067 30.149 ( 0.511 -0.780 3.810) 3.923 30.231 ( 1.152 -0.662 -3.064) 3.340 31.436 ( -3.140 1.129 12.040) 12.493 31.576 ( -2.207 2.273 -5.395) 6.257 31.710 ( 2.713 -1.759 6.018) 6.832 31.989 ( -3.827 -3.523 -6.766) 8.535 32.253 ( 1.558 3.308 10.845) 11.445 32.525 ( 4.151 6.906 -14.474) 16.566 33.668 ( 20.991 -16.868 24.732) 36.563 33.969 ( 21.162 -5.518 -12.684) 25.282 35.503 ( -4.534 -2.038 0.547) 5.002 35.653 ( -4.927 3.235 -2.351) 6.346 35.906 ( 0.874 0.121 -4.352) 4.441 36.085 ( -0.174 -9.393 2.704) 9.776 36.095 ( -10.324 1.830 -0.175) 10.487 36.470 ( -9.404 1.948 3.322) 10.161 36.737 ( 1.158 -1.653 8.687) 8.919 36.958 ( 1.253 -4.176 -11.682) 12.469 ======================= Grid point 103 (53/64) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -5.875 16.482 18.461) 25.436 1.653 ( 8.233 17.222 9.879) 21.494 1.726 ( 4.428 11.373 -10.186) 15.896 1.928 ( -1.010 11.943 -12.976) 17.665 2.234 ( 0.091 -2.119 4.897) 5.336 2.302 ( -0.186 -0.766 -1.184) 1.422 2.406 ( 2.887 12.519 10.576) 16.641 2.507 ( -4.833 0.893 -0.699) 4.964 2.555 ( 3.846 -2.086 1.545) 4.640 2.640 ( 1.248 0.240 -0.755) 1.478 2.702 ( 1.276 5.215 9.127) 10.589 2.799 ( 1.025 3.125 1.128) 3.477 2.967 ( 2.548 -3.929 -0.938) 4.776 2.996 ( 1.711 3.146 0.918) 3.697 3.063 ( 1.298 3.428 3.144) 4.829 3.125 ( -1.974 1.834 -1.327) 3.004 3.159 ( 0.979 1.407 -1.187) 2.085 3.193 ( -1.411 1.681 -2.760) 3.526 3.313 ( 1.026 -0.131 5.157) 5.259 3.317 ( 1.933 -0.952 -0.702) 2.266 3.361 ( 1.340 0.345 5.295) 5.473 3.395 ( -5.638 -1.356 -3.055) 6.554 3.469 ( -1.529 0.525 1.706) 2.351 3.483 ( 1.882 1.051 2.503) 3.303 3.542 ( -1.606 3.198 -2.682) 4.472 3.597 ( -2.621 -0.514 -7.175) 7.656 3.731 ( -0.105 -3.066 0.374) 3.090 3.746 ( -0.985 -1.166 -0.679) 1.671 3.884 ( 3.341 1.725 1.410) 4.015 3.917 ( -2.457 2.242 -1.199) 3.536 3.986 ( -4.645 -3.871 5.899) 8.447 4.128 ( 2.099 -3.257 0.791) 3.954 4.167 ( 0.641 -3.057 -4.903) 5.813 4.171 ( -1.888 -5.685 -9.873) 11.548 4.341 ( -0.831 -4.498 1.007) 4.684 4.399 ( -1.533 -3.897 -4.112) 5.869 4.588 ( 0.267 1.862 -2.060) 2.790 4.605 ( 0.800 0.909 -2.615) 2.882 4.693 ( -0.725 3.182 -0.299) 3.277 4.752 ( -0.986 2.352 -2.666) 3.689 4.805 ( -0.230 -0.513 -0.922) 1.080 4.825 ( -0.602 0.726 -1.381) 1.672 4.887 ( 3.456 -0.784 0.504) 3.579 4.914 ( -2.958 -0.007 -1.720) 3.422 5.107 ( 0.925 3.884 5.121) 6.493 5.164 ( 1.124 1.392 0.229) 1.803 5.224 ( -0.385 -1.323 1.009) 1.708 5.252 ( -1.713 -0.464 0.810) 1.951 5.326 ( 0.794 -0.292 4.091) 4.177 5.437 ( -0.089 2.095 1.022) 2.333 5.477 ( -0.627 -0.957 -7.542) 7.629 5.489 ( -0.055 0.455 -2.379) 2.423 5.690 ( 0.894 -0.097 0.311) 0.952 5.708 ( -0.333 0.345 -0.206) 0.522 5.907 ( -2.681 -1.072 2.715) 3.964 5.950 ( 2.967 2.402 -0.295) 3.829 6.035 ( -0.649 -2.320 -0.366) 2.437 6.051 ( -0.805 -1.804 -2.665) 3.317 6.218 ( 0.489 3.281 1.830) 3.789 6.243 ( -0.766 2.254 -0.694) 2.480 6.372 ( -0.796 0.985 4.584) 4.756 6.493 ( -0.132 3.390 -6.706) 7.515 6.783 ( 2.481 -5.404 6.218) 8.604 6.860 ( 0.195 -1.226 -2.308) 2.620 6.941 ( 0.155 3.472 6.653) 7.506 7.046 ( 0.337 2.459 -3.722) 4.473 7.404 ( -0.615 -0.266 3.049) 3.121 7.456 ( 2.287 0.745 -1.608) 2.893 7.720 ( -1.096 4.027 3.495) 5.443 7.807 ( 1.013 3.117 -4.548) 5.606 8.063 ( 0.594 -5.145 1.673) 5.442 8.069 ( -0.699 -5.061 1.532) 5.333 12.014 ( -0.287 2.859 0.834) 2.992 12.031 ( 0.272 2.129 -0.871) 2.316 12.252 ( 1.802 -3.741 0.406) 4.172 12.259 ( -1.988 -3.799 -0.176) 4.291 12.398 ( 1.063 0.244 0.948) 1.445 12.417 ( -0.944 -0.370 -0.919) 1.368 12.704 ( 0.338 0.603 0.380) 0.789 12.709 ( -0.334 0.662 -0.148) 0.756 13.923 ( 0.377 -0.273 2.457) 2.501 13.941 ( -0.060 -0.214 0.624) 0.662 14.052 ( 0.217 0.101 2.862) 2.872 14.119 ( -0.002 -0.903 -1.761) 1.979 14.151 ( -0.155 -1.046 -0.857) 1.361 14.184 ( -0.188 -0.184 -3.165) 3.176 14.415 ( -0.305 -0.959 1.113) 1.500 14.436 ( -0.345 -1.021 -1.152) 1.578 16.651 ( -0.690 0.654 0.601) 1.125 16.665 ( 0.581 0.710 -0.799) 1.217 16.755 ( 1.643 0.497 0.455) 1.776 16.772 ( -1.430 0.126 -1.073) 1.792 17.034 ( 0.925 2.320 1.016) 2.697 17.052 ( -1.210 1.914 -0.787) 2.397 17.173 ( -2.044 0.199 0.369) 2.086 17.179 ( 2.025 0.113 -0.214) 2.039 17.431 ( 0.848 2.022 0.523) 2.255 17.448 ( -1.020 1.555 -1.193) 2.209 17.626 ( 0.427 -1.101 1.413) 1.841 17.644 ( -0.732 0.381 2.923) 3.037 17.656 ( -1.481 -1.912 -1.212) 2.705 17.702 ( 1.147 -0.997 -1.940) 2.465 17.748 ( -0.672 -0.892 0.450) 1.204 17.766 ( 1.439 -1.014 -1.002) 2.026 18.974 ( -0.884 -1.468 2.439) 2.980 19.017 ( 1.787 -1.037 -2.127) 2.965 19.066 ( 2.153 -2.410 1.391) 3.518 19.086 ( -0.007 -2.218 -0.607) 2.300 19.313 ( -0.675 -0.011 2.381) 2.474 19.355 ( -0.228 -0.092 -1.795) 1.812 19.366 ( -2.792 -1.634 2.128) 3.872 19.402 ( 2.691 -1.458 -1.601) 3.454 27.813 ( -0.033 1.600 2.134) 2.667 27.835 ( -0.351 0.078 0.478) 0.598 27.868 ( -0.410 -2.010 -0.645) 2.150 27.890 ( 0.771 -1.836 -2.356) 3.085 28.203 ( 1.310 1.695 1.097) 2.407 28.228 ( -1.485 0.896 -1.409) 2.234 28.488 ( 0.077 -0.480 1.258) 1.348 28.513 ( 0.015 -0.807 -1.289) 1.521 28.601 ( 0.054 6.447 2.624) 6.961 28.694 ( -0.334 7.921 -7.347) 10.810 28.842 ( 0.390 0.738 1.297) 1.543 28.874 ( 0.161 -0.439 -1.988) 2.042 29.448 ( -2.089 7.427 -3.386) 8.426 29.480 ( 2.300 5.182 -5.894) 8.179 30.139 ( 0.320 -0.855 3.051) 3.184 30.215 ( 0.565 -1.737 -4.946) 5.273 31.452 ( -0.761 2.991 10.332) 10.784 31.616 ( 1.249 3.249 -6.742) 7.588 31.698 ( 1.447 -4.001 8.440) 9.451 31.851 ( -1.990 -3.640 -7.272) 8.372 32.372 ( -0.890 6.228 16.139) 17.321 32.645 ( -2.867 4.116 -10.166) 11.336 33.523 ( -0.129 -14.325 23.985) 27.937 33.915 ( 1.378 -16.193 -17.153) 23.629 35.513 ( 3.953 0.688 0.527) 4.047 35.543 ( -5.450 0.194 -2.562) 6.025 35.855 ( -2.233 0.807 5.419) 5.916 35.949 ( 2.841 -0.905 -3.938) 4.939 36.302 ( 8.160 3.541 4.617) 10.022 36.366 ( -6.227 5.488 -2.047) 8.549 36.671 ( -0.472 -5.567 7.986) 9.746 36.848 ( 0.217 -7.283 -9.671) 12.109 ======================= Grid point 104 (54/64) ======================= q-point: ( 0.17 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -9.883 19.033 13.099) 25.129 1.745 ( 0.197 10.720 -7.473) 13.069 1.820 ( 6.461 15.049 4.546) 16.996 1.906 ( -2.404 11.826 -18.633) 22.200 2.236 ( -0.432 -3.838 2.903) 4.832 2.266 ( -3.772 3.982 0.825) 5.547 2.396 ( -2.640 -0.709 -1.568) 3.151 2.472 ( -0.504 6.141 4.078) 7.389 2.580 ( -0.243 -4.497 0.815) 4.577 2.618 ( -3.083 2.919 -0.928) 4.346 2.675 ( -4.765 13.716 1.767) 14.627 2.807 ( 0.945 -3.928 3.736) 5.503 2.968 ( -1.612 1.755 -2.481) 3.440 2.997 ( -2.819 4.002 -2.986) 5.734 3.051 ( -4.400 2.161 1.141) 5.033 3.084 ( 1.510 0.964 1.683) 2.458 3.143 ( 0.135 0.931 -5.075) 5.162 3.229 ( -0.006 1.582 -1.691) 2.316 3.301 ( 1.367 0.705 -2.816) 3.208 3.322 ( 0.751 0.236 6.716) 6.762 3.370 ( -1.928 0.596 5.054) 5.442 3.378 ( -1.068 -1.936 2.992) 3.720 3.431 ( -1.663 -0.938 2.055) 2.805 3.506 ( 4.704 -0.677 -4.550) 6.579 3.562 ( -0.062 0.189 0.137) 0.242 3.649 ( 6.564 -1.199 0.396) 6.684 3.742 ( 0.791 -0.338 0.434) 0.963 3.826 ( 7.409 1.327 3.370) 8.247 3.850 ( -2.555 0.269 -3.409) 4.269 3.910 ( 0.088 -0.512 2.588) 2.640 3.972 ( 1.840 -3.303 7.546) 8.440 4.096 ( -1.590 -2.618 -1.571) 3.442 4.161 ( 0.408 -3.968 2.718) 4.827 4.232 ( 4.403 -3.037 -8.955) 10.430 4.338 ( -1.991 0.836 0.579) 2.235 4.378 ( 1.900 -6.874 0.918) 7.191 4.559 ( -1.389 -0.751 -2.782) 3.199 4.607 ( -2.092 -0.150 -5.243) 5.647 4.683 ( 0.163 1.943 2.404) 3.096 4.732 ( -0.619 4.464 0.230) 4.513 4.757 ( -2.784 1.587 2.296) 3.942 4.857 ( -0.009 0.605 -3.215) 3.271 4.880 ( 1.403 0.327 -3.630) 3.906 4.976 ( 5.272 -2.916 2.827) 6.655 5.111 ( -0.559 2.649 1.740) 3.218 5.159 ( -1.320 4.660 0.252) 4.850 5.215 ( -0.265 -0.941 1.508) 1.797 5.252 ( 0.821 -0.758 2.877) 3.086 5.340 ( -0.569 0.022 3.575) 3.620 5.446 ( 2.105 1.065 3.337) 4.086 5.485 ( 1.371 -0.988 -7.190) 7.386 5.527 ( 3.314 1.007 -1.764) 3.887 5.675 ( -0.832 1.326 -1.864) 2.435 5.731 ( 1.507 -2.611 -0.370) 3.038 5.863 ( -1.654 0.268 3.201) 3.613 5.998 ( 0.717 -3.343 -1.444) 3.712 6.035 ( 1.302 -0.626 1.184) 1.868 6.062 ( 1.665 -0.783 -0.933) 2.063 6.192 ( -1.591 3.402 1.177) 3.936 6.269 ( 1.416 3.083 0.698) 3.464 6.361 ( -0.497 1.277 3.580) 3.834 6.484 ( -0.168 3.652 -2.996) 4.727 6.743 ( -4.524 -2.965 -1.689) 5.667 6.886 ( 0.945 -0.729 -1.708) 2.084 6.933 ( -1.738 1.824 4.404) 5.074 7.046 ( 0.026 1.102 -3.433) 3.606 7.390 ( -0.969 0.200 0.686) 1.204 7.482 ( -0.055 -0.057 -1.706) 1.708 7.700 ( -0.796 4.464 2.405) 5.133 7.807 ( -0.727 2.435 -4.036) 4.769 8.022 ( -3.101 -2.922 0.865) 4.347 8.036 ( -3.565 -4.215 2.181) 5.936 11.960 ( -3.452 2.425 0.122) 4.220 12.016 ( -2.982 2.717 -0.079) 4.035 12.224 ( -0.681 -4.103 -0.165) 4.162 12.283 ( -0.063 -3.578 0.669) 3.641 12.387 ( -1.282 0.092 -0.493) 1.377 12.410 ( 0.461 -0.371 0.369) 0.697 12.718 ( 2.201 1.065 0.099) 2.447 12.755 ( 2.944 0.359 0.046) 2.967 13.923 ( -0.416 -0.055 1.909) 1.955 13.939 ( -0.317 -0.162 0.401) 0.536 14.060 ( 0.100 -0.362 3.145) 3.167 14.106 ( -0.938 -0.896 -2.951) 3.223 14.149 ( 0.084 -0.407 0.117) 0.432 14.183 ( 0.358 -0.066 -2.915) 2.938 14.418 ( 0.455 -1.101 1.798) 2.157 14.437 ( 0.481 -1.141 -0.492) 1.333 16.611 ( -2.661 1.250 0.135) 2.943 16.663 ( -2.429 1.517 -0.990) 3.030 16.681 ( -4.432 -0.018 0.480) 4.458 16.738 ( -3.343 -0.752 -0.594) 3.477 17.041 ( -0.705 2.261 0.741) 2.481 17.048 ( 1.292 1.517 -0.033) 1.993 17.201 ( 3.862 0.592 0.199) 3.912 17.254 ( 4.536 0.367 -0.168) 4.554 17.412 ( -1.114 1.941 -0.120) 2.241 17.466 ( 0.991 1.253 -0.036) 1.598 17.612 ( -1.053 -2.160 0.948) 2.583 17.623 ( -0.860 0.569 1.610) 1.912 17.651 ( 0.372 -1.189 1.101) 1.662 17.718 ( -0.121 -2.499 0.317) 2.522 17.743 ( 0.409 1.095 -2.630) 2.878 17.791 ( 1.045 -0.936 -1.217) 1.857 18.945 ( -1.631 -0.691 1.018) 2.044 19.021 ( -3.349 -1.127 -1.724) 3.931 19.061 ( 0.481 -1.702 -2.146) 2.781 19.073 ( -1.599 -2.798 -2.185) 3.894 19.283 ( -0.829 -0.184 2.107) 2.271 19.331 ( 0.114 -1.622 2.883) 3.310 19.446 ( 5.634 -1.129 -0.291) 5.753 19.478 ( 4.623 -0.780 -1.355) 4.881 27.811 ( -0.616 1.148 2.445) 2.771 27.826 ( 0.130 -0.177 0.544) 0.587 27.864 ( 0.284 -0.235 -1.865) 1.901 27.915 ( 1.252 -2.869 -1.469) 3.458 28.154 ( -2.895 1.877 -0.306) 3.464 28.248 ( 0.269 -0.489 0.449) 0.716 28.486 ( -0.202 -0.007 0.825) 0.849 28.503 ( -1.090 0.053 -0.836) 1.375 28.598 ( -0.242 6.520 2.395) 6.951 28.684 ( -0.152 7.203 -6.014) 9.385 28.857 ( 0.840 1.099 0.455) 1.456 28.880 ( 0.597 -0.121 -2.244) 2.325 29.426 ( 0.699 5.635 -0.969) 5.760 29.534 ( 2.832 3.853 -6.298) 7.908 30.150 ( 0.598 -0.333 0.491) 0.843 30.220 ( 0.242 -0.881 -4.317) 4.413 31.459 ( 0.719 2.572 9.035) 9.422 31.667 ( 3.338 1.353 -4.271) 5.587 31.725 ( 0.876 -3.680 8.460) 9.267 31.835 ( 1.169 -2.288 -7.062) 7.514 32.324 ( -5.100 6.976 16.835) 18.924 32.574 ( -3.143 3.252 -3.512) 5.726 33.372 ( -14.469 -5.216 18.945) 24.402 33.834 ( -7.783 -15.143 -17.977) 24.760 35.503 ( 2.326 0.897 -0.247) 2.505 35.614 ( 4.742 -1.497 1.356) 5.154 35.839 ( -0.208 1.604 3.570) 3.920 35.985 ( 0.357 -3.864 -1.985) 4.358 36.287 ( -0.716 8.496 -3.452) 9.198 36.500 ( 10.625 -2.460 1.023) 10.953 36.653 ( -2.177 -4.971 7.758) 9.467 36.839 ( -0.323 -7.182 -9.475) 11.894 ======================= Grid point 105 (55/64) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -5.025 18.685 8.396) 21.092 1.645 ( -11.878 10.034 -24.221) 28.782 1.819 ( 1.425 10.347 -4.778) 11.486 1.907 ( -2.384 11.627 1.904) 12.021 2.204 ( -0.089 10.771 0.594) 10.788 2.226 ( -0.106 -5.296 -1.099) 5.410 2.351 ( -3.357 -3.614 -1.658) 5.204 2.436 ( -3.084 0.690 -1.557) 3.523 2.549 ( -1.856 6.000 3.603) 7.240 2.580 ( -1.084 6.593 4.612) 8.119 2.606 ( -0.586 6.180 -2.951) 6.873 2.808 ( -2.078 1.004 0.871) 2.467 2.908 ( -2.697 3.479 -1.987) 4.829 2.936 ( -3.150 -0.233 0.808) 3.260 3.007 ( -0.182 3.739 1.908) 4.202 3.108 ( 0.612 -0.970 5.265) 5.389 3.161 ( 0.179 3.121 -3.497) 4.690 3.222 ( -0.181 -2.294 -5.880) 6.314 3.246 ( -3.538 -0.504 0.717) 3.645 3.291 ( -2.959 -1.077 -0.398) 3.174 3.356 ( 2.148 -0.364 -0.616) 2.264 3.394 ( -0.007 -2.437 2.050) 3.184 3.455 ( 2.069 -0.464 -2.830) 3.536 3.563 ( 0.895 -2.396 3.732) 4.525 3.628 ( 1.262 -2.313 -0.866) 2.774 3.682 ( 1.879 5.655 1.826) 6.232 3.763 ( -1.773 -1.757 -2.733) 3.701 3.806 ( 2.913 1.490 2.360) 4.034 3.915 ( 1.307 -3.333 2.189) 4.196 4.000 ( 1.897 -2.647 0.867) 3.370 4.044 ( 7.215 1.107 3.821) 8.239 4.107 ( 2.735 -0.754 4.484) 5.307 4.154 ( -2.359 -1.745 4.736) 5.571 4.287 ( 2.836 -1.536 -2.488) 4.073 4.360 ( 4.814 0.648 -0.735) 4.913 4.439 ( 3.177 -5.371 2.548) 6.740 4.521 ( -2.141 -0.348 -1.753) 2.789 4.561 ( -1.946 -2.599 -5.123) 6.065 4.653 ( -2.495 0.979 -2.006) 3.348 4.682 ( -3.954 2.767 1.808) 5.154 4.774 ( 2.540 1.796 4.004) 5.070 4.857 ( 0.545 0.826 -2.924) 3.087 4.928 ( 3.652 2.317 -0.412) 4.344 5.061 ( 1.255 -1.846 4.192) 4.750 5.110 ( 0.486 3.890 -2.004) 4.402 5.132 ( 0.029 2.939 1.859) 3.478 5.224 ( 0.960 -1.062 2.209) 2.633 5.263 ( -0.184 -1.036 4.355) 4.481 5.338 ( 0.583 -0.107 3.545) 3.595 5.487 ( 0.479 -0.802 4.106) 4.211 5.500 ( 1.124 2.064 -4.582) 5.150 5.584 ( 2.140 0.918 -4.374) 4.956 5.682 ( 1.823 0.687 -2.005) 2.795 5.753 ( 0.409 -3.926 -0.619) 3.995 5.851 ( 0.317 0.321 2.939) 2.973 5.983 ( -1.650 -5.124 -1.339) 5.547 6.065 ( 0.932 0.275 2.238) 2.440 6.094 ( 1.404 -2.123 -0.845) 2.681 6.171 ( -0.639 3.491 1.809) 3.983 6.274 ( -1.117 1.215 -0.236) 1.667 6.371 ( 1.428 2.862 3.071) 4.434 6.494 ( 1.490 3.122 1.628) 3.823 6.655 ( -3.432 -0.378 -7.164) 7.953 6.845 ( -5.082 -5.145 -5.767) 9.250 6.914 ( -0.138 5.361 4.281) 6.862 7.034 ( -0.993 1.062 -4.274) 4.515 7.370 ( -0.897 1.409 0.585) 1.770 7.454 ( -2.073 1.696 -1.328) 2.989 7.703 ( 0.779 3.727 0.802) 3.892 7.781 ( -1.392 2.498 -2.819) 4.015 7.963 ( -3.179 -1.767 3.149) 4.811 7.974 ( -1.802 -2.285 -0.638) 2.979 11.906 ( -1.865 2.482 -0.052) 3.105 11.943 ( -3.647 2.500 0.089) 4.422 12.216 ( -0.337 -3.723 0.043) 3.739 12.254 ( -2.176 -3.630 0.136) 4.234 12.385 ( 0.772 0.062 0.762) 1.087 12.421 ( 0.508 -0.936 -0.556) 1.201 12.769 ( 2.451 1.203 0.402) 2.760 12.801 ( 1.579 0.492 -0.244) 1.671 13.913 ( -0.800 -0.189 2.257) 2.402 13.931 ( -0.332 0.028 -0.136) 0.360 14.054 ( -0.744 -0.515 1.701) 1.927 14.087 ( -0.599 -0.577 -2.674) 2.800 14.156 ( 0.472 0.251 1.268) 1.377 14.193 ( 0.849 0.200 -2.936) 3.063 14.432 ( 0.596 -1.316 2.095) 2.545 14.450 ( 0.755 -1.334 -0.202) 1.546 16.556 ( -2.423 0.722 -0.578) 2.593 16.582 ( -3.976 0.606 -0.166) 4.025 16.633 ( -1.164 0.683 0.259) 1.374 16.681 ( -2.429 -0.326 -0.634) 2.531 17.036 ( 0.122 1.843 1.302) 2.260 17.068 ( 0.535 0.686 -0.585) 1.048 17.274 ( 3.152 1.294 0.147) 3.411 17.320 ( 1.774 1.613 -0.332) 2.421 17.406 ( 0.695 0.634 0.344) 1.002 17.467 ( -0.723 0.473 -0.491) 0.994 17.614 ( 0.033 0.016 1.154) 1.154 17.620 ( 1.282 -1.456 1.650) 2.547 17.654 ( -0.282 -1.272 1.475) 1.968 17.714 ( -0.117 -2.639 0.241) 2.653 17.744 ( -0.095 1.683 -2.599) 3.098 17.799 ( -0.146 -0.480 -1.916) 1.980 18.918 ( -1.133 -0.426 -0.302) 1.247 18.958 ( -2.890 -0.798 -0.412) 3.027 19.015 ( -1.597 -0.256 -3.034) 3.438 19.070 ( -0.920 -2.377 -3.176) 4.072 19.293 ( 1.784 -1.065 2.772) 3.465 19.350 ( 0.588 -2.717 3.193) 4.234 19.532 ( 3.222 0.174 -0.716) 3.306 19.553 ( 2.613 0.003 -0.944) 2.778 27.800 ( -0.404 0.701 2.057) 2.211 27.844 ( 1.078 -1.182 1.124) 1.955 27.866 ( 0.116 1.294 -2.663) 2.963 27.923 ( -0.489 -2.001 -0.958) 2.272 28.128 ( 0.471 0.074 0.147) 0.499 28.224 ( -2.460 -2.036 0.435) 3.223 28.480 ( -0.810 1.435 0.326) 1.680 28.486 ( -0.069 1.266 0.432) 1.340 28.598 ( -0.103 5.801 2.058) 6.156 28.674 ( -0.258 6.490 -5.957) 8.813 28.872 ( 0.684 1.543 0.142) 1.694 28.891 ( 0.541 0.923 -1.901) 2.182 29.466 ( 2.817 3.304 0.562) 4.378 29.566 ( 0.958 1.764 -5.361) 5.724 30.162 ( 0.728 0.478 -1.312) 1.575 30.212 ( -0.861 0.145 -2.922) 3.049 31.496 ( 2.287 1.418 8.510) 8.926 31.660 ( -3.366 -3.350 7.686) 9.035 31.792 ( 3.616 1.069 1.698) 4.135 31.877 ( 3.745 -1.124 -8.205) 9.088 32.250 ( -2.564 7.519 15.695) 17.591 32.524 ( -1.879 3.695 -1.672) 4.470 33.115 ( -11.492 1.242 17.229) 20.748 33.629 ( -9.908 -11.144 -22.453) 26.953 35.597 ( 6.267 -0.604 -0.328) 6.305 35.689 ( 2.518 -1.455 2.345) 3.735 35.834 ( -0.640 0.996 2.115) 2.424 35.953 ( -3.071 -3.598 -0.316) 4.741 36.337 ( 5.142 5.424 0.569) 7.495 36.594 ( -4.492 -4.185 7.693) 9.842 36.671 ( 6.603 -5.771 -4.601) 9.903 36.821 ( -0.726 -6.202 -8.719) 10.725 ======================= Grid point 106 (56/64) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 3.538 15.884 10.424) 19.325 1.396 ( -8.760 13.618 -23.295) 28.370 1.740 ( -8.438 11.164 8.392) 16.317 1.949 ( 7.866 5.328 -12.231) 15.488 2.172 ( -3.463 3.392 6.954) 8.477 2.290 ( -0.779 -3.101 -2.604) 4.123 2.296 ( 4.059 6.727 -0.808) 7.898 2.356 ( -3.107 2.385 -4.859) 6.241 2.514 ( -2.702 4.985 5.527) 7.918 2.606 ( 2.234 5.869 -1.959) 6.578 2.647 ( 4.368 4.574 4.381) 7.694 2.741 ( -3.565 7.543 -2.698) 8.768 2.863 ( -1.263 1.770 3.780) 4.360 2.918 ( 0.188 -1.306 -1.111) 1.725 3.005 ( -0.279 1.132 6.177) 6.286 3.088 ( -4.879 -2.387 2.585) 6.016 3.115 ( -0.852 1.413 3.169) 3.573 3.210 ( 0.728 -0.405 -2.196) 2.348 3.239 ( -0.421 -0.911 -0.169) 1.018 3.291 ( 1.245 -3.347 -5.693) 6.720 3.371 ( -1.107 1.646 -0.183) 1.992 3.384 ( 0.493 -0.971 -1.929) 2.215 3.501 ( 2.473 -1.877 0.093) 3.106 3.527 ( -1.426 -0.792 -1.994) 2.577 3.643 ( 2.077 -0.678 1.542) 2.674 3.708 ( -2.322 -1.766 -4.408) 5.286 3.787 ( 5.582 2.834 3.201) 7.031 3.828 ( -1.916 2.361 -0.691) 3.118 3.965 ( -0.821 -3.793 2.064) 4.396 3.987 ( 2.195 -3.983 -0.168) 4.550 4.072 ( -4.348 1.791 4.383) 6.428 4.156 ( 3.627 0.344 -1.176) 3.828 4.198 ( 2.881 -2.746 7.271) 8.289 4.331 ( 0.137 -2.749 -3.694) 4.607 4.436 ( 1.782 2.544 4.298) 5.303 4.461 ( -0.816 -1.020 2.292) 2.638 4.518 ( 0.334 -1.932 -3.739) 4.222 4.539 ( 1.141 -0.393 -5.288) 5.424 4.600 ( -2.599 -0.754 1.373) 3.035 4.636 ( 1.358 0.248 -2.196) 2.594 4.813 ( 0.847 0.804 1.699) 2.062 4.869 ( 0.884 0.855 -2.762) 3.023 4.998 ( 2.697 3.936 3.738) 6.061 5.018 ( -4.023 3.765 -0.091) 5.510 5.128 ( 0.915 0.805 1.895) 2.253 5.160 ( 0.514 0.188 -1.586) 1.678 5.246 ( 1.042 -1.753 3.648) 4.179 5.259 ( -0.216 -1.204 2.519) 2.800 5.359 ( 0.921 0.143 4.436) 4.533 5.470 ( -1.616 -0.612 0.807) 1.907 5.514 ( 0.081 1.766 -1.561) 2.358 5.608 ( 0.633 1.039 -4.549) 4.709 5.717 ( 0.431 0.075 -0.598) 0.741 5.736 ( -0.858 -2.370 -0.214) 2.529 5.884 ( 1.753 -2.262 2.415) 3.745 5.939 ( -1.759 -2.132 -2.020) 3.423 6.081 ( 0.656 -0.517 2.344) 2.488 6.105 ( -0.257 -1.060 -0.431) 1.173 6.182 ( 1.702 1.387 3.526) 4.154 6.237 ( -1.964 0.016 -2.495) 3.175 6.403 ( 0.812 2.217 4.488) 5.071 6.528 ( 0.907 2.650 2.829) 3.981 6.623 ( 0.184 -1.016 -6.284) 6.368 6.731 ( -3.750 -2.508 -8.598) 9.710 6.920 ( 0.339 4.884 4.333) 6.538 7.010 ( -0.849 2.841 -4.680) 5.540 7.367 ( 0.503 2.048 2.607) 3.354 7.417 ( -1.456 2.092 -1.788) 3.113 7.719 ( 0.461 3.073 1.143) 3.312 7.759 ( -0.383 3.185 -2.672) 4.175 7.930 ( -0.432 -1.893 2.404) 3.090 7.961 ( 0.612 -1.841 -0.715) 2.068 11.893 ( -0.498 2.601 0.313) 2.667 11.900 ( 0.555 2.269 -0.375) 2.366 12.209 ( -0.556 -3.288 1.186) 3.539 12.232 ( 0.554 -3.811 -1.116) 4.009 12.399 ( 0.153 -0.232 1.416) 1.443 12.424 ( -0.150 -1.047 -1.146) 1.560 12.795 ( -0.221 1.062 1.177) 1.600 12.815 ( 0.187 0.748 -0.945) 1.220 13.899 ( -0.717 -0.006 2.709) 2.802 13.930 ( 0.183 -0.405 -0.106) 0.457 14.043 ( -0.307 -0.230 0.944) 1.019 14.081 ( 0.184 -0.443 -2.317) 2.366 14.162 ( -0.096 0.526 1.301) 1.406 14.207 ( 0.745 0.215 -3.039) 3.137 14.440 ( 0.099 -1.380 1.810) 2.279 14.462 ( 0.365 -1.391 -0.483) 1.517 16.528 ( -0.887 0.506 0.338) 1.075 16.542 ( 0.908 -0.030 -1.168) 1.480 16.636 ( 0.929 0.457 0.284) 1.074 16.643 ( -1.029 0.517 -0.484) 1.249 17.041 ( -0.100 1.230 1.841) 2.216 17.072 ( 0.274 0.637 -1.387) 1.551 17.315 ( 0.915 1.830 0.325) 2.072 17.322 ( -1.094 2.156 -0.330) 2.440 17.430 ( 0.716 -0.079 0.728) 1.025 17.447 ( -0.657 -0.143 -1.099) 1.288 17.624 ( 0.600 -0.244 1.578) 1.705 17.633 ( -0.057 -1.017 1.030) 1.449 17.665 ( 1.361 -1.147 1.359) 2.240 17.699 ( -1.472 -1.435 -1.467) 2.525 17.747 ( 0.514 0.544 0.204) 0.776 17.785 ( -0.989 -0.163 -2.599) 2.786 18.908 ( 0.007 -0.334 -0.107) 0.351 18.914 ( -0.870 -0.575 -0.542) 1.175 19.008 ( 0.484 -0.122 -0.359) 0.615 19.038 ( -1.592 -1.159 -3.200) 3.757 19.339 ( 1.323 -2.545 2.484) 3.795 19.348 ( -0.042 -2.911 1.664) 3.353 19.562 ( -0.582 1.143 0.308) 1.319 19.571 ( -0.292 0.745 -0.831) 1.154 27.801 ( 0.282 0.775 2.393) 2.531 27.841 ( -0.873 -1.153 -0.984) 1.749 27.889 ( 1.933 0.762 -0.599) 2.162 27.901 ( -1.337 -0.662 -1.291) 1.973 28.161 ( 0.548 -1.511 0.900) 1.842 28.174 ( -0.381 -2.585 -0.360) 2.638 28.476 ( 0.366 1.920 0.823) 2.121 28.484 ( -0.093 1.547 -0.006) 1.550 28.592 ( -0.648 6.018 2.204) 6.441 28.671 ( 0.543 6.156 -6.102) 8.685 28.880 ( -0.042 1.537 0.181) 1.548 28.895 ( -0.031 1.667 -1.600) 2.311 29.500 ( -0.357 2.295 1.784) 2.929 29.574 ( 0.908 1.176 -6.293) 6.466 30.170 ( -0.737 0.707 -0.189) 1.038 30.190 ( -0.128 0.537 -2.349) 2.413 31.554 ( 2.833 -0.052 8.521) 8.980 31.586 ( -4.526 -1.399 10.330) 11.365 31.801 ( -2.488 2.550 1.381) 3.821 31.952 ( 3.313 -2.103 -8.358) 9.234 32.265 ( 2.002 6.281 13.849) 15.338 32.509 ( 1.555 5.991 -7.134) 9.445 33.009 ( -0.473 0.100 21.347) 21.352 33.482 ( -2.107 -8.136 -24.168) 25.588 35.679 ( -3.260 -0.436 1.457) 3.598 35.713 ( 4.369 -0.713 -1.835) 4.792 35.849 ( 2.368 -1.341 3.172) 4.179 35.893 ( -2.423 -1.359 -0.931) 2.930 36.436 ( 1.650 0.335 6.524) 6.738 36.498 ( -3.622 -2.797 3.733) 5.906 36.739 ( 0.263 -5.720 -4.629) 7.363 36.808 ( 0.832 -5.369 -8.561) 10.139 ======================= Grid point 107 (57/64) ======================= q-point: (-0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 7.483 13.091 13.353) 20.142 1.343 ( 4.892 17.180 -10.645) 20.794 1.622 ( -3.505 13.291 8.210) 16.011 2.111 ( 8.027 3.350 -10.218) 13.419 2.132 ( -1.762 4.005 2.355) 4.969 2.214 ( -1.909 7.163 2.948) 7.977 2.332 ( -0.577 -4.956 -0.100) 4.990 2.432 ( 5.843 2.404 -2.406) 6.761 2.470 ( -0.178 8.666 6.613) 10.902 2.624 ( -0.244 0.321 -1.511) 1.563 2.671 ( -1.577 7.881 -0.984) 8.098 2.749 ( 2.432 6.233 6.080) 9.040 2.865 ( 0.558 3.199 2.435) 4.059 2.942 ( 2.825 -0.195 1.001) 3.003 3.006 ( -2.808 -2.126 1.813) 3.962 3.021 ( 1.059 -1.377 6.651) 6.874 3.119 ( 1.898 4.021 4.287) 6.176 3.191 ( -2.039 -3.608 -2.403) 4.790 3.237 ( -0.101 -0.084 1.174) 1.181 3.294 ( 1.553 -0.318 -2.137) 2.661 3.370 ( -1.398 -0.126 -2.070) 2.501 3.421 ( 4.432 -1.123 -2.018) 4.997 3.480 ( -1.595 -1.044 -3.279) 3.792 3.596 ( 3.791 -1.815 2.298) 4.790 3.632 ( -2.443 -2.229 -1.846) 3.787 3.716 ( 2.485 -2.954 0.946) 3.974 3.763 ( -3.928 4.459 -4.181) 7.266 3.846 ( -3.358 0.379 0.168) 3.383 3.939 ( 2.972 -2.120 0.131) 3.653 3.980 ( -5.674 1.203 3.003) 6.531 4.037 ( 0.731 -1.314 0.466) 1.574 4.177 ( -2.590 -3.897 5.588) 7.288 4.199 ( -2.064 1.878 -1.833) 3.339 4.309 ( -1.198 -4.408 -8.907) 10.010 4.398 ( -4.149 2.453 -3.176) 5.772 4.457 ( 0.598 -0.559 1.342) 1.572 4.515 ( 0.696 -3.402 -1.010) 3.616 4.559 ( 1.334 -0.103 -3.169) 3.440 4.617 ( 2.360 -0.450 0.081) 2.403 4.711 ( 5.366 -0.012 -1.352) 5.534 4.814 ( -0.439 1.229 -0.023) 1.306 4.866 ( -1.567 2.875 -3.004) 4.443 4.932 ( -4.218 0.732 -1.858) 4.667 5.040 ( 1.137 2.482 5.989) 6.581 5.110 ( -3.212 0.274 1.303) 3.477 5.138 ( -1.408 0.213 -1.415) 2.007 5.245 ( -0.784 -1.389 0.488) 1.668 5.292 ( 2.275 0.029 1.586) 2.773 5.366 ( -0.986 -0.311 5.308) 5.407 5.444 ( -1.124 -0.032 -1.834) 2.152 5.503 ( -0.667 0.447 -1.166) 1.416 5.578 ( -2.907 -0.162 -1.709) 3.376 5.698 ( -1.018 2.282 -4.311) 4.982 5.734 ( -0.570 -0.818 0.660) 1.196 5.886 ( 0.001 0.930 0.978) 1.349 5.951 ( 1.043 -2.662 0.068) 2.860 6.086 ( -0.242 -1.606 0.885) 1.849 6.099 ( -0.377 -0.301 -0.591) 0.762 6.189 ( -0.971 1.592 -0.691) 1.988 6.259 ( 3.792 -1.798 2.932) 5.120 6.393 ( -1.890 1.703 2.255) 3.399 6.529 ( -2.221 0.032 4.601) 5.109 6.587 ( 0.968 1.174 -9.029) 9.157 6.776 ( 5.336 -1.827 0.488) 5.661 6.933 ( 0.466 4.136 5.277) 6.721 7.003 ( 0.717 3.583 -4.139) 5.521 7.383 ( 0.659 2.682 2.460) 3.699 7.403 ( 0.350 0.841 0.176) 0.927 7.721 ( 0.006 2.946 1.105) 3.146 7.765 ( 0.931 4.057 -2.798) 5.015 7.948 ( 2.099 -3.266 1.941) 4.341 7.996 ( 2.759 -1.933 -0.202) 3.374 11.904 ( 1.975 2.333 0.124) 3.059 11.947 ( 3.602 2.480 -0.275) 4.381 12.208 ( 0.360 -3.542 0.682) 3.625 12.262 ( 2.121 -3.769 -0.465) 4.350 12.390 ( -0.858 -0.368 0.455) 1.038 12.417 ( -0.416 -0.649 -0.319) 0.834 12.766 ( -2.464 1.118 0.631) 2.778 12.803 ( -1.590 0.726 -0.400) 1.793 13.895 ( 0.130 0.253 2.931) 2.944 13.935 ( 0.311 -1.018 0.560) 1.202 14.045 ( 0.329 -0.109 0.773) 0.847 14.090 ( 0.827 -0.286 -1.528) 1.761 14.156 ( -0.438 0.235 0.522) 0.720 14.211 ( -0.136 -0.025 -3.588) 3.590 14.438 ( -0.488 -1.268 1.254) 1.849 14.462 ( -0.318 -1.293 -1.031) 1.684 16.551 ( 3.194 1.317 -0.024) 3.455 16.583 ( 2.568 0.955 -0.396) 2.768 16.648 ( 2.235 -0.024 -1.107) 2.494 16.667 ( 1.973 -0.702 0.756) 2.227 17.033 ( -0.571 1.353 1.276) 1.945 17.078 ( 0.184 0.907 -1.194) 1.511 17.278 ( -3.182 1.450 -0.213) 3.503 17.312 ( -1.679 1.880 0.401) 2.552 17.410 ( -1.122 -0.095 0.013) 1.126 17.465 ( 1.279 0.503 -0.343) 1.416 17.622 ( -0.108 -0.295 0.902) 0.955 17.642 ( -1.387 -0.560 -0.366) 1.540 17.665 ( 0.878 -1.588 0.042) 1.815 17.697 ( 0.843 -1.032 0.950) 1.637 17.744 ( -1.029 0.090 -1.052) 1.474 17.771 ( -0.062 -0.638 -0.228) 0.680 18.906 ( 0.842 0.183 0.711) 1.117 18.945 ( 2.969 -0.476 1.221) 3.245 19.003 ( -0.556 -0.872 -1.743) 2.026 19.032 ( 0.578 -1.174 0.258) 1.333 19.317 ( -1.357 -1.728 0.430) 2.239 19.378 ( 0.933 -3.084 0.722) 3.302 19.513 ( -4.059 0.860 0.703) 4.208 19.541 ( -3.075 0.466 0.214) 3.117 27.809 ( 0.160 1.191 2.345) 2.635 27.829 ( -0.037 -1.208 -0.073) 1.210 27.875 ( -1.079 -0.015 -1.993) 2.266 27.919 ( 0.747 -1.109 -0.726) 1.521 28.129 ( -0.756 -0.161 0.086) 0.778 28.229 ( 2.885 -2.308 -0.025) 3.695 28.483 ( -0.059 1.186 0.125) 1.194 28.491 ( 0.956 1.301 -0.061) 1.616 28.583 ( -0.231 6.245 2.612) 6.773 28.684 ( 1.135 6.808 -6.369) 9.392 28.869 ( -1.020 1.199 0.293) 1.601 28.887 ( -0.511 1.335 -1.267) 1.910 29.467 ( -2.180 3.805 -0.019) 4.385 29.576 ( -0.940 2.500 -5.938) 6.511 30.143 ( -1.171 0.378 1.121) 1.665 30.201 ( 0.688 -0.542 -1.905) 2.097 31.514 ( -3.569 0.732 10.677) 11.282 31.611 ( 2.269 -1.675 8.247) 8.716 31.725 ( -4.572 3.818 -2.478) 6.451 31.965 ( -1.235 -3.848 -6.647) 7.779 32.305 ( 1.200 5.704 11.034) 12.479 32.590 ( 6.194 6.675 -10.392) 13.817 33.121 ( 9.241 -4.493 26.463) 28.387 33.539 ( 9.959 -7.671 -21.462) 24.873 35.582 ( -5.683 0.035 0.940) 5.761 35.746 ( -1.340 -0.665 -3.324) 3.645 35.878 ( 1.400 -0.491 -1.915) 2.423 35.909 ( 2.299 -4.468 4.079) 6.472 36.317 ( -8.480 1.411 2.961) 9.092 36.539 ( 1.582 -1.458 6.740) 7.075 36.696 ( -3.126 -3.907 -1.394) 5.194 36.830 ( 1.523 -6.216 -9.460) 11.421 ======================= Grid point 108 (58/64) ======================= q-point: (-0.17 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 6.513 13.246 14.268) 20.529 1.489 ( 8.267 16.937 4.575) 19.394 1.629 ( 3.636 14.856 2.035) 15.429 2.021 ( -6.552 10.953 -8.791) 15.498 2.210 ( 3.018 0.216 5.953) 6.678 2.293 ( -0.143 -1.510 1.179) 1.921 2.333 ( 5.805 2.636 -0.249) 6.381 2.452 ( 2.484 10.583 5.597) 12.227 2.571 ( 2.134 -1.060 0.080) 2.384 2.616 ( 0.533 0.817 0.242) 1.005 2.654 ( 0.399 4.987 5.513) 7.445 2.764 ( 0.690 4.207 5.462) 6.929 2.897 ( 3.122 0.589 0.214) 3.184 2.976 ( -0.206 -1.648 4.228) 4.543 3.018 ( 3.966 1.224 1.578) 4.441 3.092 ( 4.527 1.991 0.686) 4.993 3.147 ( -1.404 -0.357 -1.719) 2.248 3.198 ( 5.030 0.957 4.551) 6.850 3.269 ( 0.824 0.320 2.503) 2.654 3.285 ( -0.753 1.858 -1.096) 2.285 3.353 ( -0.915 -0.504 0.065) 1.046 3.444 ( 0.558 -0.617 -1.992) 2.159 3.489 ( -0.069 -2.725 -2.842) 3.937 3.561 ( -5.692 -3.938 -3.834) 7.912 3.614 ( -0.653 -1.798 -0.032) 1.913 3.667 ( -7.137 2.572 -2.118) 7.876 3.754 ( -1.144 4.862 -0.485) 5.019 3.792 ( 2.840 -1.342 1.938) 3.691 3.846 ( -6.969 -0.141 0.571) 6.994 3.966 ( -1.605 -0.718 -2.424) 2.995 4.064 ( 1.444 -2.550 1.209) 3.170 4.101 ( -4.144 -2.073 3.628) 5.885 4.152 ( -0.865 0.369 -5.377) 5.458 4.248 ( -3.413 -5.929 -8.721) 11.084 4.368 ( -0.685 -0.743 -3.570) 3.710 4.434 ( -2.053 -5.577 -3.684) 6.992 4.549 ( 2.178 0.789 0.526) 2.375 4.588 ( 2.193 0.870 -3.646) 4.343 4.670 ( 2.727 0.248 -0.538) 2.790 4.793 ( -1.519 5.090 -3.112) 6.156 4.803 ( -1.322 2.282 -0.773) 2.749 4.814 ( 2.877 -1.822 -0.623) 3.462 4.877 ( -2.054 -1.481 -3.534) 4.348 4.999 ( -5.437 -0.780 3.177) 6.346 5.077 ( 1.076 3.434 2.748) 4.528 5.139 ( 0.971 0.728 1.656) 2.053 5.230 ( -0.483 -1.370 -0.616) 1.577 5.299 ( -2.257 -1.312 2.476) 3.598 5.338 ( -1.748 0.825 2.510) 3.168 5.424 ( 0.242 0.659 -1.962) 2.083 5.495 ( -0.658 -0.160 -1.773) 1.898 5.531 ( -2.101 0.960 -1.925) 3.007 5.672 ( -0.306 1.185 -2.726) 2.988 5.723 ( -0.617 0.564 -0.174) 0.854 5.901 ( 1.454 2.267 0.607) 2.761 5.949 ( -1.107 -1.604 1.470) 2.441 6.066 ( -2.001 -1.212 -0.545) 2.402 6.079 ( -1.375 -2.404 -2.272) 3.582 6.189 ( 1.096 2.280 0.965) 2.707 6.286 ( -1.890 0.302 -1.173) 2.245 6.377 ( 0.134 1.622 3.501) 3.860 6.496 ( -0.097 1.226 -5.886) 6.013 6.669 ( 6.375 -1.902 6.383) 9.220 6.852 ( 2.034 -1.906 1.049) 2.978 6.937 ( -0.350 3.993 5.601) 6.887 7.029 ( 1.713 2.534 -3.019) 4.298 7.402 ( 0.852 1.523 2.905) 3.388 7.419 ( 1.138 0.659 0.711) 1.495 7.727 ( 0.189 3.342 2.442) 4.143 7.784 ( 1.407 4.125 -4.037) 5.941 8.009 ( 3.708 -5.159 1.804) 6.605 8.051 ( 2.384 -3.178 0.924) 4.079 11.961 ( 3.555 2.293 0.104) 4.232 12.016 ( 2.786 2.678 -0.232) 3.871 12.219 ( 0.826 -3.942 0.310) 4.039 12.291 ( 0.111 -3.964 0.092) 3.966 12.380 ( 0.131 0.137 0.075) 0.204 12.416 ( 0.501 -0.407 -0.151) 0.662 12.716 ( -2.168 1.092 0.264) 2.442 12.756 ( -2.972 0.576 -0.065) 3.028 13.907 ( 0.801 0.179 2.879) 2.994 13.940 ( 0.117 -0.972 0.916) 1.340 14.050 ( -0.046 0.146 1.393) 1.401 14.108 ( 1.030 -0.416 -0.766) 1.349 14.152 ( 0.039 -0.721 -0.357) 0.805 14.198 ( -0.802 -0.189 -3.984) 4.068 14.426 ( -0.730 -1.065 0.868) 1.556 14.449 ( -0.740 -1.123 -1.397) 1.939 16.619 ( 2.543 1.672 -0.668) 3.116 16.647 ( 4.223 1.843 0.440) 4.629 16.687 ( 1.811 -0.631 0.190) 1.927 16.737 ( 4.497 -1.218 -0.610) 4.698 17.026 ( -0.222 1.778 1.065) 2.084 17.072 ( -0.577 1.625 -1.232) 2.119 17.205 ( -3.778 0.698 -0.210) 3.848 17.248 ( -4.514 0.696 0.349) 4.580 17.408 ( 0.799 1.051 0.281) 1.350 17.475 ( -0.610 1.693 -0.943) 2.032 17.618 ( -0.188 -1.755 -0.114) 1.769 17.630 ( 0.940 0.250 1.419) 1.721 17.681 ( -0.379 -1.460 -0.681) 1.655 17.703 ( -0.414 -0.261 -0.089) 0.498 17.735 ( 0.917 -1.252 -0.683) 1.695 17.766 ( -0.633 -1.023 0.832) 1.463 18.944 ( 2.638 0.090 1.720) 3.151 19.003 ( 1.232 -1.567 0.502) 2.056 19.023 ( 2.636 -1.025 1.285) 3.106 19.039 ( 1.569 -1.895 0.446) 2.500 19.306 ( 0.216 -0.156 -0.187) 0.325 19.379 ( -0.497 -1.964 -1.572) 2.565 19.424 ( -4.730 -0.773 1.775) 5.111 19.458 ( -5.107 -0.437 0.395) 5.141 27.812 ( -0.013 1.586 1.957) 2.519 27.835 ( 0.268 -1.369 0.895) 1.658 27.862 ( 0.127 -0.151 -2.185) 2.194 27.909 ( -1.399 -2.325 -1.098) 2.927 28.148 ( 2.563 1.905 0.207) 3.200 28.260 ( -0.097 -0.856 -0.563) 1.029 28.483 ( 0.143 0.011 0.837) 0.849 28.507 ( 0.701 0.486 -0.977) 1.297 28.590 ( 0.578 5.938 2.557) 6.491 28.698 ( 0.688 7.860 -7.348) 10.782 28.847 ( -1.003 0.781 1.226) 1.766 28.877 ( -0.322 0.261 -1.448) 1.506 29.443 ( 0.194 6.110 -2.909) 6.770 29.525 ( -3.478 4.914 -5.249) 7.987 30.133 ( -0.080 -0.578 2.852) 2.911 30.209 ( 0.413 -1.605 -3.428) 3.808 31.469 ( -1.967 2.212 10.572) 10.978 31.636 ( -2.018 2.745 -0.719) 3.482 31.665 ( 0.841 -1.902 3.019) 3.666 31.911 ( -3.231 -4.235 -6.697) 8.557 32.345 ( 1.805 6.071 12.733) 14.222 32.668 ( 1.985 5.356 -12.407) 13.658 33.362 ( 11.779 -11.079 26.450) 31.002 33.778 ( 13.405 -12.255 -17.023) 24.893 35.493 ( -2.581 0.925 0.530) 2.792 35.675 ( -5.660 -1.596 -4.677) 7.514 35.908 ( 1.688 -0.294 -3.107) 3.548 35.911 ( -2.882 -4.756 5.448) 7.785 36.214 ( -0.462 7.261 3.879) 8.245 36.497 ( -6.048 1.912 1.497) 6.518 36.666 ( -0.056 -5.298 5.824) 7.874 36.845 ( 0.858 -6.818 -9.732) 11.914 ======================= Grid point 109 (59/64) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -2.305 17.079 13.689) 22.009 1.918 ( 3.468 6.731 -1.853) 7.795 1.992 ( 2.999 12.414 8.634) 15.416 2.075 ( 2.583 -2.019 2.367) 4.044 2.143 ( -1.410 -0.583 -1.144) 1.907 2.190 ( 1.955 -7.794 -4.297) 9.112 2.394 ( 3.545 -4.795 -2.493) 6.463 2.433 ( -3.196 -5.080 -6.562) 8.893 2.651 ( -0.259 2.615 -0.128) 2.631 2.675 ( 0.837 3.333 -3.185) 4.685 2.807 ( -1.281 1.301 6.592) 6.841 2.874 ( 1.400 -4.644 0.113) 4.852 2.970 ( 1.258 11.644 7.209) 13.753 3.058 ( 4.530 3.654 -1.066) 5.917 3.108 ( 1.109 0.484 0.646) 1.371 3.150 ( 0.832 -0.332 -2.372) 2.536 3.197 ( 3.928 1.011 5.498) 6.833 3.229 ( -4.445 1.468 2.426) 5.272 3.247 ( 2.953 -3.519 3.567) 5.817 3.297 ( -4.208 -3.187 -0.723) 5.328 3.388 ( 0.656 2.725 1.887) 3.379 3.419 ( -1.714 6.445 1.489) 6.833 3.449 ( 0.430 -2.136 5.948) 6.335 3.544 ( 1.187 -0.878 0.860) 1.709 3.565 ( 2.937 2.555 -1.503) 4.173 3.624 ( -4.583 1.439 -5.030) 6.955 3.675 ( 0.618 -4.886 1.206) 5.071 3.686 ( -4.135 -1.822 0.582) 4.556 3.916 ( 0.471 2.254 2.756) 3.591 3.944 ( -4.207 1.914 -0.144) 4.624 4.017 ( 1.889 0.676 1.114) 2.295 4.034 ( -3.447 -2.877 -3.668) 5.798 4.069 ( -0.057 -2.204 -0.113) 2.208 4.142 ( -0.359 -0.574 -8.840) 8.866 4.229 ( -1.782 -4.051 -1.373) 4.634 4.285 ( 0.789 -6.454 -5.863) 8.755 4.623 ( -1.027 1.161 -5.375) 5.594 4.628 ( 0.223 0.591 -4.278) 4.325 4.743 ( -0.466 2.114 5.678) 6.076 4.767 ( -0.221 -0.027 3.342) 3.349 4.815 ( 1.098 0.829 -1.391) 1.957 4.830 ( 1.063 -0.513 -0.375) 1.239 4.918 ( -1.092 2.257 -4.703) 5.330 4.937 ( -0.928 0.866 -5.164) 5.317 5.158 ( -0.954 1.719 4.324) 4.750 5.177 ( 2.717 0.840 4.524) 5.343 5.191 ( -0.301 -1.697 1.181) 2.089 5.213 ( 0.307 -2.482 6.823) 7.267 5.365 ( 1.128 3.196 -3.882) 5.153 5.431 ( 1.345 -2.903 -6.394) 7.150 5.481 ( -1.030 1.242 -0.870) 1.833 5.493 ( -1.575 -0.123 -1.744) 2.353 5.697 ( 0.040 0.851 -1.770) 1.965 5.713 ( -1.468 -0.334 -3.190) 3.527 5.886 ( -0.911 0.183 0.778) 1.212 5.926 ( -1.000 -3.241 -2.758) 4.371 6.031 ( 0.798 1.926 0.668) 2.190 6.055 ( 0.088 -0.184 -1.855) 1.867 6.271 ( -1.198 1.534 2.088) 2.854 6.286 ( 0.540 0.474 0.274) 0.769 6.445 ( 1.223 7.494 7.834) 10.910 6.579 ( 2.547 1.726 -4.607) 5.540 6.653 ( -0.096 -3.392 5.755) 6.681 6.765 ( -0.097 -7.217 -4.894) 8.720 7.044 ( -0.317 5.010 4.796) 6.943 7.093 ( -0.171 0.737 0.185) 0.779 7.396 ( -0.018 0.308 1.982) 2.006 7.432 ( 1.102 -2.533 -1.190) 3.007 7.816 ( -0.282 5.340 3.571) 6.430 7.879 ( -0.004 3.289 -1.918) 3.807 7.943 ( 0.860 -5.056 1.902) 5.470 7.982 ( -0.662 -4.538 -1.297) 4.765 12.078 ( -0.569 3.300 0.275) 3.360 12.083 ( 0.601 2.790 -0.228) 2.863 12.174 ( 0.312 -3.583 0.131) 3.599 12.177 ( -0.241 -3.894 -0.141) 3.904 12.405 ( 0.444 0.413 0.467) 0.765 12.412 ( -0.392 -0.244 -0.184) 0.498 12.716 ( 0.112 0.441 0.198) 0.496 12.718 ( -0.285 0.195 -0.089) 0.356 13.928 ( 0.386 0.569 2.587) 2.677 13.938 ( 0.413 -0.294 1.865) 1.933 14.058 ( -0.112 0.844 -0.708) 1.108 14.088 ( -0.213 -1.913 -3.142) 3.685 14.154 ( -0.060 0.975 0.732) 1.221 14.174 ( -0.152 -0.811 -1.410) 1.634 14.405 ( -0.323 0.019 0.300) 0.441 14.416 ( -0.345 -0.923 -0.801) 1.270 16.666 ( -0.414 0.632 0.672) 1.011 16.673 ( -0.005 -0.007 0.024) 0.025 16.764 ( 0.933 0.396 -0.400) 1.089 16.770 ( -0.265 -0.235 -0.927) 0.992 17.078 ( 0.729 1.761 0.504) 1.971 17.085 ( -0.804 1.093 -0.220) 1.374 17.167 ( -1.342 -0.513 0.353) 1.480 17.170 ( 1.158 -0.762 0.092) 1.390 17.486 ( 1.695 3.297 0.657) 3.765 17.501 ( -1.601 3.094 -0.774) 3.569 17.577 ( 0.753 -2.957 1.208) 3.282 17.596 ( -1.857 -3.551 -0.301) 4.019 17.660 ( -0.350 0.680 1.355) 1.557 17.676 ( -0.133 -1.055 0.583) 1.213 17.746 ( 0.741 0.254 -1.118) 1.365 17.752 ( 0.951 -0.400 -1.331) 1.684 18.965 ( -0.657 0.531 1.654) 1.857 18.988 ( 0.779 -1.606 -0.416) 1.833 19.041 ( 1.200 -0.097 -0.148) 1.213 19.053 ( 1.017 -1.170 -0.993) 1.841 19.319 ( -2.892 0.553 2.109) 3.622 19.336 ( -2.576 -1.128 1.905) 3.397 19.360 ( 1.237 0.427 -1.602) 2.069 19.375 ( 2.927 -1.092 -1.708) 3.561 27.823 ( -0.088 -0.386 1.173) 1.238 27.827 ( -0.334 -0.624 1.561) 1.714 27.853 ( 0.417 0.726 -0.727) 1.109 27.869 ( 0.078 -0.681 -1.445) 1.599 28.224 ( 0.610 0.587 0.525) 0.996 28.232 ( -0.669 -0.225 -0.261) 0.752 28.483 ( 0.006 0.079 0.363) 0.372 28.492 ( -0.124 -0.865 -0.622) 1.073 28.724 ( 0.248 5.273 3.168) 6.157 28.791 ( 0.100 0.230 -2.035) 2.050 28.836 ( -0.149 0.764 -0.701) 1.048 28.867 ( 0.059 -0.909 -2.690) 2.840 29.556 ( -1.442 3.261 -4.373) 5.642 29.568 ( 0.724 2.412 -5.945) 6.456 30.138 ( 0.741 0.956 -0.939) 1.531 30.173 ( 0.910 -2.252 -4.539) 5.148 31.524 ( -0.350 4.110 10.235) 11.035 31.612 ( 0.446 -4.545 9.445) 10.491 31.690 ( 0.294 4.039 -7.061) 8.140 31.773 ( -0.918 -4.131 -7.283) 8.424 32.513 ( -1.198 7.559 16.692) 18.362 32.646 ( -2.834 -4.454 7.079) 8.831 33.420 ( 1.588 3.856 2.576) 4.902 33.610 ( 1.166 -13.518 -13.808) 19.358 35.525 ( 1.401 0.616 0.228) 1.547 35.538 ( -2.313 -0.566 -0.963) 2.569 35.878 ( -0.196 1.484 2.176) 2.642 35.914 ( 0.983 -2.086 -1.394) 2.695 36.404 ( 3.069 6.327 5.639) 9.014 36.503 ( -2.878 5.864 -3.871) 7.593 36.549 ( 0.694 -4.451 5.654) 7.229 36.686 ( -0.488 -8.673 -7.438) 11.436 ======================= Grid point 110 (60/64) ======================= q-point: ( 0.17 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -7.308 20.494 9.476) 23.732 1.947 ( -0.123 10.120 -4.561) 11.101 1.975 ( -2.982 -11.133 5.871) 12.935 2.114 ( -3.309 9.280 -13.770) 16.932 2.120 ( -0.348 -2.246 3.263) 3.976 2.243 ( 2.216 -2.448 -4.776) 5.806 2.347 ( -3.453 0.076 -6.719) 7.555 2.461 ( 3.217 -6.669 -0.597) 7.428 2.613 ( -3.423 2.858 0.333) 4.472 2.676 ( -0.440 -1.438 -0.569) 1.608 2.768 ( -1.686 5.825 4.377) 7.479 2.891 ( 0.078 -4.031 1.279) 4.230 2.949 ( -2.256 9.368 -1.997) 9.840 3.077 ( -2.800 -3.347 -2.952) 5.268 3.113 ( -0.793 1.519 -2.401) 2.950 3.118 ( -2.374 3.983 2.125) 5.101 3.149 ( -1.773 2.947 0.666) 3.503 3.233 ( -1.710 -2.999 -0.055) 3.452 3.307 ( 1.776 0.443 4.078) 4.470 3.317 ( 3.291 0.376 4.203) 5.351 3.371 ( -3.299 0.020 -0.942) 3.431 3.377 ( -2.800 -2.736 3.420) 5.199 3.423 ( -1.916 4.793 4.226) 6.672 3.536 ( -0.573 -4.099 2.409) 4.789 3.549 ( 1.267 4.188 -5.667) 7.159 3.624 ( 3.241 -1.855 -0.372) 3.753 3.739 ( 5.564 1.653 1.988) 6.135 3.814 ( 8.700 -3.989 5.054) 10.823 3.871 ( -1.866 2.912 0.177) 3.464 3.912 ( -1.446 0.467 1.912) 2.442 3.973 ( 0.559 2.668 2.082) 3.430 4.054 ( 0.399 -3.705 4.143) 5.573 4.097 ( 3.214 0.035 0.645) 3.278 4.166 ( 3.962 -4.037 -5.691) 8.024 4.250 ( 3.448 -1.938 -1.070) 4.097 4.307 ( 1.001 -4.374 -2.796) 5.287 4.563 ( -3.842 1.013 -2.856) 4.893 4.588 ( -3.629 -1.353 -3.491) 5.215 4.717 ( -1.750 2.443 3.200) 4.390 4.760 ( -1.424 -1.096 2.015) 2.700 4.845 ( 1.492 4.443 3.709) 5.977 4.878 ( -0.381 1.555 -5.429) 5.660 4.900 ( 3.689 0.541 -3.460) 5.086 4.939 ( 1.616 -1.646 -0.272) 2.322 5.141 ( -0.631 1.348 2.313) 2.751 5.180 ( -0.308 -2.128 1.268) 2.496 5.220 ( 0.608 1.208 5.321) 5.490 5.236 ( 0.512 -0.752 4.528) 4.618 5.372 ( -0.419 2.829 -3.879) 4.820 5.427 ( 0.226 -2.487 -5.544) 6.081 5.492 ( 2.643 1.532 -0.313) 3.070 5.527 ( 3.465 -1.403 -1.080) 3.891 5.700 ( 0.343 0.761 -1.399) 1.629 5.710 ( 0.917 0.405 -1.896) 2.144 5.857 ( -1.682 0.345 1.370) 2.196 5.904 ( -1.162 -4.141 -1.130) 4.447 6.056 ( 1.385 1.102 0.554) 1.854 6.066 ( 0.902 0.194 -1.986) 2.190 6.245 ( -1.216 2.324 1.875) 3.224 6.286 ( -0.615 -1.473 0.836) 1.802 6.473 ( 0.805 8.831 5.324) 10.343 6.587 ( -0.423 6.916 -6.628) 9.589 6.642 ( -1.751 -6.891 2.514) 7.542 6.756 ( -0.814 -8.817 -4.406) 9.890 7.032 ( -1.179 4.653 4.179) 6.365 7.077 ( -1.213 0.413 0.099) 1.285 7.396 ( -0.146 1.140 0.602) 1.297 7.445 ( 0.197 -3.070 -1.572) 3.454 7.804 ( -0.929 5.646 2.962) 6.443 7.866 ( -1.119 2.580 -1.080) 3.012 7.937 ( -1.367 -4.505 0.822) 4.779 7.959 ( -1.453 -3.489 -0.648) 3.835 12.017 ( -3.609 3.047 -0.082) 4.724 12.057 ( -3.877 0.282 0.020) 3.887 12.162 ( 0.354 -0.783 -0.165) 0.875 12.206 ( 0.092 -3.787 0.125) 3.790 12.392 ( -0.963 0.375 -0.034) 1.034 12.401 ( -0.395 -0.488 0.356) 0.722 12.741 ( 2.589 1.081 0.096) 2.807 12.756 ( 2.874 -0.327 0.115) 2.895 13.929 ( -0.419 0.636 1.903) 2.050 13.939 ( -0.371 -0.156 0.844) 0.935 14.056 ( -0.133 0.343 -0.156) 0.400 14.078 ( -0.464 -1.604 -3.137) 3.553 14.159 ( 0.492 1.035 1.058) 1.560 14.177 ( 0.529 -0.639 -1.195) 1.454 14.405 ( 0.266 -0.103 1.044) 1.082 14.415 ( 0.292 -0.960 -0.098) 1.008 16.637 ( -2.478 1.344 0.747) 2.916 16.661 ( -1.958 -0.932 0.844) 2.327 16.702 ( -4.654 1.260 -1.301) 4.994 16.722 ( -3.843 -0.862 -1.113) 4.093 17.072 ( -0.175 0.992 -0.317) 1.056 17.076 ( -0.447 0.707 0.732) 1.111 17.218 ( 4.759 1.150 0.379) 4.911 17.244 ( 4.970 -1.199 0.280) 5.121 17.464 ( -1.692 2.981 -0.762) 3.512 17.502 ( -0.837 0.929 0.016) 1.250 17.569 ( 0.746 -0.672 1.116) 1.502 17.612 ( 1.458 -2.681 1.995) 3.646 17.639 ( -1.337 0.666 0.776) 1.684 17.664 ( -1.151 -2.100 0.799) 2.524 17.764 ( 1.030 0.826 -2.399) 2.738 17.777 ( 1.236 -0.579 -1.881) 2.324 18.950 ( -1.015 1.285 1.157) 2.005 18.992 ( -1.550 -2.522 0.432) 2.992 19.026 ( -0.586 0.124 -3.164) 3.221 19.042 ( -1.747 -1.178 -2.782) 3.490 19.283 ( -0.848 0.365 2.503) 2.668 19.300 ( -0.501 -1.317 2.801) 3.136 19.444 ( 5.555 0.576 -0.951) 5.665 19.460 ( 5.245 -0.958 -1.188) 5.462 27.813 ( -0.739 -0.148 0.948) 1.210 27.820 ( -0.266 -0.586 1.262) 1.417 27.870 ( 1.054 0.449 -0.786) 1.389 27.880 ( 0.937 -0.713 -1.063) 1.586 28.187 ( -2.732 1.628 -0.009) 3.181 28.222 ( -1.616 -1.784 0.340) 2.431 28.488 ( 0.516 0.425 0.201) 0.697 28.498 ( 0.476 -0.468 -0.102) 0.675 28.721 ( -0.698 5.199 2.707) 5.903 28.780 ( -0.889 0.825 -2.306) 2.605 28.850 ( 1.448 0.510 -0.249) 1.555 28.880 ( 1.367 -0.907 -3.245) 3.636 29.532 ( -0.424 4.258 -2.988) 5.219 29.576 ( 0.444 0.024 -4.357) 4.380 30.158 ( 1.345 1.238 -2.751) 3.303 30.192 ( 1.162 -1.805 -4.710) 5.177 31.524 ( -0.283 3.957 9.410) 10.212 31.612 ( -1.095 -4.687 9.052) 10.252 31.733 ( 4.218 2.470 -5.170) 7.115 31.785 ( 2.652 -2.639 -6.285) 7.314 32.471 ( -4.212 7.167 17.921) 19.755 32.581 ( -3.894 -3.049 10.640) 11.733 33.365 ( -6.775 5.055 -1.171) 8.534 33.551 ( -5.647 -12.570 -15.341) 20.621 35.532 ( 1.967 1.903 0.076) 2.738 35.574 ( 3.325 -2.252 1.083) 4.159 35.875 ( -0.356 1.963 1.040) 2.250 35.920 ( -0.521 -2.676 -1.599) 3.160 36.455 ( -0.131 6.515 -0.582) 6.543 36.499 ( 4.274 2.789 2.420) 5.649 36.560 ( -0.141 -2.858 4.305) 5.169 36.676 ( 0.252 -8.785 -7.207) 11.365 ======================= Grid point 111 (61/64) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -5.461 22.542 6.629) 24.123 1.875 ( -6.121 6.069 -11.457) 14.338 1.911 ( -6.783 -6.328 -8.136) 12.338 2.026 ( 0.085 2.775 -0.820) 2.895 2.074 ( -5.510 0.495 -0.603) 5.565 2.158 ( -3.970 -12.789 -10.789) 17.197 2.387 ( 2.559 6.737 -1.860) 7.443 2.451 ( -3.920 -0.568 -2.569) 4.721 2.588 ( 2.129 3.018 4.542) 5.854 2.704 ( 2.963 -4.250 3.879) 6.472 2.769 ( 1.465 7.326 3.365) 8.194 2.845 ( -3.114 5.795 3.678) 7.537 2.936 ( -0.588 2.525 -3.217) 4.132 2.997 ( -4.932 1.168 -0.797) 5.131 3.086 ( -3.736 1.947 1.391) 4.436 3.102 ( 2.185 1.805 -0.214) 2.842 3.141 ( -1.405 -4.043 -4.540) 6.239 3.169 ( -2.420 -1.543 0.234) 2.880 3.255 ( -3.376 0.073 -1.524) 3.705 3.296 ( -1.790 -0.270 -2.229) 2.871 3.350 ( 0.331 0.391 3.163) 3.204 3.383 ( -0.317 -3.502 5.874) 6.846 3.407 ( 0.155 3.585 -1.445) 3.868 3.516 ( -2.023 -4.947 -1.416) 5.529 3.623 ( 4.506 4.120 -1.780) 6.360 3.725 ( 4.933 -1.157 4.357) 6.683 3.766 ( -0.138 -1.838 -3.394) 3.863 3.839 ( -0.896 -0.369 0.613) 1.146 3.906 ( 1.075 1.612 5.175) 5.526 3.936 ( 1.101 2.511 1.642) 3.196 4.066 ( 6.503 -0.267 1.611) 6.705 4.081 ( 3.102 -2.398 4.534) 5.994 4.169 ( 1.549 3.145 3.444) 4.914 4.239 ( 1.784 -3.081 -1.818) 3.998 4.336 ( 5.134 -2.727 1.690) 6.054 4.346 ( 4.705 -2.488 0.164) 5.325 4.505 ( -1.332 -0.339 -0.369) 1.423 4.520 ( -1.832 -1.489 -1.912) 3.038 4.677 ( -2.701 1.963 0.364) 3.359 4.707 ( -3.835 -0.340 0.126) 3.852 4.854 ( 0.497 4.289 0.437) 4.340 4.882 ( 0.162 1.145 -1.881) 2.208 4.977 ( 5.043 1.778 0.832) 5.412 5.016 ( 4.202 -2.404 5.101) 7.033 5.139 ( 0.173 1.111 0.042) 1.125 5.174 ( -0.776 -1.244 -1.070) 1.815 5.214 ( -0.833 0.792 5.936) 6.046 5.236 ( -0.865 -1.331 5.525) 5.749 5.370 ( 0.645 3.109 -1.755) 3.628 5.439 ( 0.829 -3.506 -2.712) 4.510 5.540 ( 1.641 1.989 -0.976) 2.757 5.580 ( 1.752 -1.691 -3.278) 4.084 5.717 ( 1.218 1.866 -0.713) 2.340 5.729 ( 1.337 1.301 -2.359) 3.007 5.836 ( -0.362 -0.513 0.580) 0.855 5.881 ( -0.926 -4.658 -1.520) 4.987 6.074 ( 0.305 0.564 1.000) 1.188 6.080 ( 0.609 -0.070 -0.996) 1.169 6.228 ( -0.798 2.365 0.891) 2.650 6.267 ( -1.374 -1.474 -0.505) 2.077 6.480 ( -0.512 6.764 4.879) 8.356 6.570 ( -1.043 3.549 0.848) 3.795 6.610 ( -0.718 -2.730 -6.593) 7.172 6.714 ( -2.778 -7.358 -5.667) 9.694 7.015 ( -0.647 4.132 3.061) 5.182 7.056 ( -0.775 0.150 -0.363) 0.869 7.391 ( -0.354 1.386 0.240) 1.450 7.436 ( -0.888 -2.550 -1.712) 3.197 7.795 ( -0.162 4.891 2.145) 5.343 7.840 ( -1.213 2.410 -0.540) 2.752 7.909 ( -1.370 -2.797 0.780) 3.211 7.927 ( -1.474 -2.616 -0.574) 3.057 11.958 ( -2.178 2.429 -0.179) 3.267 11.981 ( -3.423 0.627 0.044) 3.480 12.160 ( -0.438 -1.147 -0.085) 1.231 12.183 ( -1.754 -2.992 0.123) 3.470 12.389 ( 0.438 0.391 0.379) 0.699 12.402 ( 0.298 -0.890 0.068) 0.941 12.793 ( 2.281 1.048 0.137) 2.514 12.805 ( 1.906 -0.150 -0.056) 1.912 13.918 ( -0.833 0.563 1.602) 1.891 13.929 ( -0.664 -0.379 0.449) 0.886 14.051 ( -0.358 0.304 -0.654) 0.805 14.067 ( -0.325 -1.172 -2.944) 3.185 14.174 ( 0.768 1.149 1.481) 2.025 14.191 ( 0.915 -0.479 -0.948) 1.402 14.414 ( 0.495 -0.219 1.425) 1.525 14.424 ( 0.587 -1.081 0.247) 1.254 16.572 ( -3.379 0.778 0.172) 3.471 16.584 ( -4.250 -0.359 0.391) 4.283 16.653 ( -0.994 1.065 -0.563) 1.562 16.671 ( -1.564 -0.706 -0.846) 1.913 17.065 ( -0.247 1.038 0.593) 1.221 17.076 ( -0.044 -0.033 0.000) 0.055 17.304 ( 3.676 1.553 0.424) 4.013 17.329 ( 3.330 -0.708 0.284) 3.417 17.439 ( -0.798 2.296 -0.590) 2.501 17.473 ( -1.630 -0.528 -0.603) 1.816 17.603 ( 1.730 0.598 1.740) 2.525 17.618 ( -0.303 0.392 1.333) 1.422 17.632 ( -0.484 -0.850 1.280) 1.611 17.651 ( 0.553 -3.331 1.244) 3.598 17.773 ( 0.097 1.124 -2.754) 2.976 17.789 ( 0.148 -0.577 -2.524) 2.593 18.923 ( -1.622 0.857 -0.016) 1.834 18.943 ( -2.564 -0.863 -0.323) 2.725 19.011 ( -0.552 0.094 -2.695) 2.752 19.027 ( -0.020 -1.610 -2.448) 2.930 19.283 ( 0.547 0.186 2.296) 2.368 19.303 ( 0.105 -1.786 2.590) 3.148 19.540 ( 3.900 0.512 -0.621) 3.982 19.549 ( 3.463 -0.375 -0.695) 3.551 27.804 ( -0.259 0.155 0.980) 1.025 27.818 ( -0.145 -1.207 0.814) 1.463 27.887 ( 0.834 0.691 -1.154) 1.582 27.897 ( 0.712 -0.561 -0.375) 0.981 28.142 ( -1.584 1.260 0.053) 2.025 28.178 ( -2.601 -2.277 0.272) 3.468 28.498 ( 0.369 0.737 0.288) 0.873 28.504 ( 0.141 0.237 0.208) 0.345 28.710 ( -0.532 4.780 2.364) 5.359 28.760 ( -0.829 0.798 -1.934) 2.250 28.880 ( 1.413 0.981 -0.997) 1.988 28.906 ( 1.332 -0.525 -3.687) 3.956 29.537 ( 0.971 3.263 -1.738) 3.822 29.578 ( 0.164 -0.703 -3.658) 3.728 30.178 ( 0.842 1.142 -2.825) 3.161 30.202 ( 0.109 -1.037 -3.595) 3.743 31.534 ( 0.524 2.435 9.005) 9.343 31.592 ( -1.668 -3.304 9.300) 10.010 31.817 ( 3.852 1.414 -2.982) 5.073 31.848 ( 3.904 -1.649 -6.095) 7.423 32.411 ( -2.590 7.853 18.099) 19.899 32.531 ( -1.936 -3.340 12.580) 13.159 33.203 ( -8.273 7.730 -4.531) 12.195 33.400 ( -7.295 -11.301 -17.820) 22.326 35.606 ( 5.068 1.467 0.655) 5.316 35.648 ( 3.810 -2.428 2.042) 4.958 35.854 ( -1.995 1.286 -0.102) 2.376 35.891 ( -2.158 -2.425 -1.252) 3.479 36.461 ( 0.868 5.737 0.293) 5.810 36.531 ( -2.245 -2.270 5.820) 6.638 36.597 ( 3.902 -0.407 -1.727) 4.286 36.683 ( 0.876 -7.048 -6.115) 9.372 ======================= Grid point 112 (62/64) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.121 21.237 8.721) 22.958 1.707 ( -5.207 15.901 -18.090) 24.641 1.834 ( -3.500 -11.024 4.063) 12.259 1.954 ( -1.688 -5.225 -5.526) 7.790 2.069 ( 1.995 0.363 -1.356) 2.439 2.136 ( 1.076 -8.015 -7.614) 11.107 2.378 ( -2.722 1.222 0.676) 3.059 2.398 ( 0.124 0.408 -1.544) 1.602 2.663 ( 3.361 6.479 4.707) 8.686 2.735 ( -0.846 2.138 -1.644) 2.826 2.804 ( 1.568 8.904 6.723) 11.267 2.839 ( 0.476 3.471 5.946) 6.902 2.902 ( -2.007 0.376 -0.796) 2.192 2.928 ( -0.695 0.958 0.179) 1.197 3.008 ( -3.015 0.109 2.978) 4.239 3.042 ( -3.561 -2.187 -0.201) 4.184 3.163 ( 1.347 0.578 -2.038) 2.510 3.178 ( -0.521 -2.196 -3.012) 3.763 3.232 ( 1.099 1.686 0.894) 2.202 3.254 ( -1.637 0.790 -2.739) 3.287 3.368 ( 0.527 -0.220 0.899) 1.065 3.383 ( 0.124 -0.984 1.634) 1.911 3.425 ( 1.841 -2.757 -1.059) 3.480 3.470 ( -0.352 -4.820 -2.934) 5.654 3.676 ( -0.187 4.086 1.455) 4.341 3.715 ( -1.405 3.781 -2.545) 4.769 3.819 ( 1.255 -5.676 3.034) 6.557 3.863 ( 1.915 -7.256 -1.068) 7.580 3.913 ( 0.889 5.339 2.104) 5.807 3.947 ( 0.850 3.665 -0.992) 3.890 4.097 ( -2.781 1.444 3.430) 4.646 4.138 ( -0.061 -0.879 3.393) 3.506 4.200 ( 3.183 0.999 1.381) 3.610 4.256 ( -0.496 -4.110 -0.275) 4.149 4.400 ( 1.128 -2.006 -0.955) 2.492 4.429 ( 3.983 -3.861 -1.521) 5.752 4.520 ( 1.322 1.976 0.013) 2.378 4.539 ( 1.546 -0.041 -0.839) 1.759 4.618 ( -2.636 1.910 2.154) 3.904 4.642 ( -1.303 0.000 -0.599) 1.434 4.863 ( -0.003 2.803 1.791) 3.327 4.885 ( 0.268 0.452 -0.840) 0.990 5.057 ( 1.325 1.458 4.280) 4.712 5.066 ( 0.401 0.779 2.410) 2.564 5.141 ( -0.379 -0.361 0.394) 0.656 5.149 ( -1.106 0.483 -0.414) 1.276 5.217 ( 0.416 -1.097 5.079) 5.213 5.227 ( 0.209 -1.653 3.516) 3.891 5.386 ( 0.703 2.438 -0.300) 2.555 5.439 ( -0.579 -2.505 -1.788) 3.132 5.544 ( -1.041 1.541 -1.415) 2.337 5.585 ( -1.097 -2.469 -2.586) 3.740 5.738 ( 1.205 2.234 -0.676) 2.627 5.761 ( 2.089 2.175 -4.255) 5.215 5.840 ( 0.446 -0.991 -0.262) 1.118 5.885 ( 1.960 -3.498 -4.379) 5.937 6.073 ( -0.532 0.285 1.166) 1.313 6.087 ( 0.128 -0.749 0.112) 0.768 6.217 ( -0.101 1.430 1.193) 1.865 6.234 ( -1.660 -0.387 -0.995) 1.974 6.464 ( -1.379 3.878 5.606) 6.954 6.543 ( -2.318 -2.980 5.619) 6.770 6.609 ( 1.060 2.281 -8.412) 8.780 6.675 ( 0.243 -3.321 -7.220) 7.951 7.012 ( 0.062 3.793 2.750) 4.685 7.048 ( -0.034 0.433 -0.740) 0.858 7.386 ( -0.107 0.776 1.206) 1.438 7.415 ( -0.965 -1.615 -1.410) 2.352 7.796 ( -0.145 4.129 2.080) 4.626 7.830 ( 0.348 2.814 -1.005) 3.008 7.889 ( -0.723 -1.864 1.434) 2.460 7.917 ( 0.664 -2.696 -1.053) 2.970 11.939 ( -0.689 1.639 0.107) 1.781 11.941 ( 0.620 1.426 -0.134) 1.561 12.154 ( -0.315 -1.642 0.444) 1.730 12.163 ( 0.366 -2.483 -0.491) 2.557 12.396 ( -0.019 0.089 0.705) 0.711 12.405 ( -0.053 -0.748 -0.158) 0.766 12.816 ( -0.099 0.889 0.414) 0.986 12.825 ( 0.171 0.084 -0.458) 0.496 13.905 ( -0.540 0.565 2.006) 2.153 13.918 ( -0.393 -0.701 0.880) 1.192 14.046 ( 0.037 0.539 -1.145) 1.266 14.063 ( 0.248 -1.094 -2.788) 3.006 14.184 ( 0.063 1.369 1.237) 1.846 14.205 ( 0.451 -0.588 -1.041) 1.278 14.423 ( 0.203 -0.190 1.134) 1.167 14.434 ( 0.344 -1.173 -0.058) 1.224 16.537 ( -0.299 0.335 0.150) 0.474 16.541 ( 0.527 -0.100 -0.273) 0.602 16.646 ( 0.122 0.437 -0.092) 0.463 16.650 ( -0.466 0.068 -0.468) 0.664 17.063 ( -0.142 0.942 0.919) 1.324 17.076 ( 0.183 -0.269 -0.365) 0.489 17.350 ( 0.627 1.377 0.549) 1.610 17.357 ( -0.421 0.875 -0.119) 0.978 17.435 ( -0.007 0.642 0.199) 0.673 17.445 ( -0.452 -0.170 -0.801) 0.936 17.613 ( 0.436 -0.604 0.907) 1.174 17.616 ( -0.415 -0.652 0.734) 1.066 17.649 ( 1.440 -0.156 1.955) 2.434 17.662 ( -0.018 -1.537 1.213) 1.958 17.766 ( -0.468 0.910 -2.046) 2.287 17.779 ( -0.856 -0.428 -2.727) 2.890 18.906 ( 0.096 0.048 -0.030) 0.112 18.908 ( -0.725 -0.180 -0.301) 0.805 19.007 ( -0.082 0.160 -1.138) 1.152 19.017 ( -0.701 -0.826 -2.080) 2.345 19.301 ( 0.354 -0.974 1.771) 2.052 19.305 ( 0.584 -1.269 1.480) 2.035 19.578 ( -0.374 0.426 -0.082) 0.573 19.580 ( -0.106 0.171 -0.394) 0.442 27.804 ( 0.223 -0.076 1.192) 1.215 27.813 ( -0.346 -1.058 0.359) 1.170 27.898 ( -0.324 0.390 -0.414) 0.654 27.903 ( 0.413 0.115 -0.840) 0.943 28.137 ( 0.693 -0.743 0.198) 1.035 28.138 ( -0.725 -0.918 0.112) 1.175 28.503 ( 0.152 0.764 0.410) 0.880 28.505 ( -0.044 0.500 0.123) 0.517 28.704 ( -0.364 4.592 2.397) 5.193 28.750 ( 0.061 0.668 -1.582) 1.719 28.896 ( 0.276 1.230 -1.885) 2.268 28.918 ( 0.132 -0.172 -3.614) 3.620 29.552 ( 0.258 2.496 -1.310) 2.831 29.583 ( 0.914 -0.505 -4.689) 4.804 30.182 ( -0.595 0.570 -1.329) 1.564 30.192 ( -0.533 -0.322 -2.368) 2.449 31.554 ( 0.668 0.220 8.879) 8.907 31.565 ( -1.824 -0.812 9.767) 9.969 31.850 ( -0.390 2.465 -2.699) 3.676 31.902 ( 1.459 -2.710 -6.242) 6.960 32.411 ( 0.699 7.679 17.498) 19.122 32.535 ( 1.544 -3.606 11.232) 11.898 33.097 ( -1.160 8.492 -4.463) 9.663 33.295 ( -0.861 -10.259 -18.600) 21.259 35.684 ( -0.467 0.883 1.456) 1.765 35.702 ( 2.538 -0.627 0.000) 2.614 35.822 ( -0.003 -0.448 0.814) 0.929 35.848 ( -1.590 -2.568 -1.338) 3.303 36.465 ( -2.708 2.251 4.540) 5.746 36.493 ( 0.117 0.629 3.303) 3.365 36.647 ( 1.158 -1.941 -2.911) 3.685 36.696 ( 0.940 -5.290 -6.095) 8.125 ======================= Grid point 113 (63/64) ======================= q-point: (-0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 5.284 17.553 10.616) 21.183 1.693 ( 3.736 13.697 -3.045) 14.520 1.819 ( 2.804 2.019 0.646) 3.516 1.977 ( 2.283 -8.366 5.079) 10.050 2.110 ( 3.284 -3.910 -6.722) 8.442 2.172 ( 2.425 -7.927 -5.861) 10.152 2.342 ( -1.349 5.116 2.731) 5.954 2.425 ( 2.655 -2.682 -0.264) 3.783 2.677 ( -3.203 5.487 -2.960) 7.009 2.694 ( -0.626 5.990 1.009) 6.106 2.818 ( -0.776 2.546 1.126) 2.890 2.831 ( -1.136 4.892 6.553) 8.256 2.906 ( 1.233 -2.346 6.580) 7.094 2.912 ( -0.720 -2.297 -1.233) 2.705 3.001 ( 1.610 3.640 6.275) 7.431 3.056 ( 3.222 0.933 1.638) 3.732 3.143 ( -0.864 1.056 -2.020) 2.437 3.177 ( 1.123 -0.503 -0.564) 1.353 3.230 ( 0.966 0.883 0.516) 1.407 3.283 ( 1.702 -0.534 -0.728) 1.926 3.351 ( 0.206 0.923 0.795) 1.236 3.424 ( 2.763 -1.955 -0.037) 3.384 3.448 ( 0.803 -0.781 -2.301) 2.559 3.516 ( 2.793 -4.939 -0.026) 5.674 3.601 ( -5.717 3.794 0.233) 6.866 3.720 ( -0.235 -2.376 0.702) 2.488 3.795 ( -2.443 -0.176 -2.166) 3.270 3.883 ( 1.288 -2.880 -1.502) 3.494 3.938 ( 0.398 4.310 0.167) 4.332 3.969 ( -0.405 0.557 -0.224) 0.724 4.038 ( -2.662 2.715 4.361) 5.786 4.114 ( -2.504 -2.562 4.742) 5.943 4.209 ( -2.382 -1.991 -1.558) 3.474 4.222 ( -2.203 -3.232 -4.104) 5.669 4.387 ( -3.061 -0.346 -3.215) 4.453 4.427 ( -5.144 -2.607 -6.983) 9.057 4.530 ( 2.860 3.099 -2.411) 4.858 4.565 ( 2.276 -0.606 -4.647) 5.209 4.623 ( 2.448 2.378 4.675) 5.788 4.686 ( 4.337 -2.468 2.386) 5.531 4.851 ( -1.373 2.177 1.023) 2.770 4.882 ( -0.789 -0.714 -1.169) 1.581 5.008 ( -4.530 4.325 -1.112) 6.362 5.060 ( -2.228 -0.847 3.200) 3.990 5.118 ( -1.127 0.590 0.282) 1.303 5.132 ( -0.537 -0.321 1.836) 1.940 5.220 ( -0.333 -0.152 3.440) 3.459 5.257 ( 1.024 -2.884 4.185) 5.185 5.385 ( -0.568 1.885 -1.566) 2.515 5.425 ( -0.789 -1.742 -4.056) 4.484 5.514 ( -1.326 0.966 1.303) 2.095 5.546 ( -2.021 -2.201 1.050) 3.168 5.755 ( 0.326 2.857 -4.222) 5.108 5.785 ( 0.184 2.792 -8.190) 8.655 5.859 ( 1.502 -0.274 -1.603) 2.213 5.925 ( 1.857 -3.042 -5.216) 6.317 6.054 ( -1.338 0.500 0.986) 1.736 6.087 ( -0.221 -1.444 -0.031) 1.461 6.217 ( 0.279 1.391 1.680) 2.199 6.239 ( 2.258 -0.724 3.354) 4.108 6.442 ( -1.256 3.025 6.419) 7.207 6.500 ( -1.906 -2.422 5.281) 6.115 6.629 ( 1.471 3.142 -5.909) 6.852 6.710 ( 3.061 -4.341 -4.034) 6.670 7.021 ( 0.542 3.935 3.165) 5.079 7.056 ( 0.946 0.883 -0.739) 1.490 7.389 ( 0.146 -0.190 2.479) 2.491 7.403 ( -0.032 -1.087 -0.893) 1.407 7.795 ( 0.166 4.114 1.990) 4.573 7.847 ( 1.290 2.439 -0.794) 2.872 7.889 ( 0.660 -1.362 1.076) 1.857 7.945 ( 1.979 -3.339 -0.891) 3.982 11.955 ( 2.226 2.475 0.094) 3.330 11.981 ( 3.337 0.385 -0.044) 3.359 12.157 ( 0.475 -0.788 0.165) 0.935 12.187 ( 1.665 -3.249 -0.206) 3.656 12.389 ( -0.555 0.299 0.420) 0.758 12.401 ( -0.268 -0.857 0.169) 0.914 12.792 ( -2.203 1.270 0.145) 2.547 12.808 ( -1.843 -0.253 -0.313) 1.886 13.903 ( 0.168 0.542 2.600) 2.661 13.917 ( 0.124 -0.834 1.598) 1.807 14.051 ( 0.528 0.714 -1.246) 1.530 14.072 ( 0.797 -1.223 -2.500) 2.895 14.177 ( -0.781 1.520 0.671) 1.836 14.203 ( -0.527 -0.906 -1.554) 1.874 14.423 ( -0.268 -0.054 0.483) 0.554 14.435 ( -0.197 -1.156 -0.661) 1.346 16.576 ( 4.144 1.090 -0.131) 4.287 16.590 ( 4.169 -0.260 -0.239) 4.184 16.650 ( 0.913 0.338 -0.264) 1.009 16.658 ( 0.854 -0.392 0.227) 0.966 17.061 ( -0.064 1.358 0.732) 1.544 17.081 ( 0.316 -0.541 -0.274) 0.684 17.309 ( -3.716 1.508 -0.050) 4.010 17.330 ( -3.217 -0.323 0.162) 3.237 17.430 ( 0.471 2.058 0.192) 2.119 17.466 ( 1.644 -0.858 0.011) 1.854 17.614 ( -0.040 0.091 0.720) 0.727 17.633 ( 1.046 -1.163 1.066) 1.892 17.644 ( -1.040 0.257 -0.557) 1.208 17.665 ( -0.230 -1.710 0.580) 1.821 17.753 ( -0.844 0.584 -1.094) 1.500 17.763 ( -0.448 -0.384 -0.837) 1.024 18.916 ( 1.571 0.751 0.602) 1.842 18.932 ( 2.542 -0.760 0.978) 2.827 18.995 ( -0.755 0.127 -1.233) 1.452 19.008 ( -0.368 -1.063 -0.664) 1.306 19.301 ( 0.069 0.193 0.585) 0.620 19.324 ( 0.815 -2.111 0.559) 2.331 19.530 ( -4.305 0.769 0.208) 4.378 19.541 ( -3.849 -0.335 0.028) 3.863 27.809 ( 0.002 -0.470 0.415) 0.627 27.813 ( 0.480 -0.600 1.359) 1.561 27.880 ( -1.127 0.952 -0.590) 1.589 27.901 ( -0.659 -0.923 -0.757) 1.364 28.141 ( 1.514 1.304 0.112) 2.001 28.179 ( 2.736 -2.391 0.170) 3.638 28.501 ( -0.426 0.647 0.023) 0.775 28.505 ( 0.017 0.235 0.091) 0.252 28.702 ( 0.039 4.964 2.555) 5.583 28.759 ( 0.868 -0.033 -1.126) 1.422 28.886 ( -1.072 1.260 -2.326) 2.854 28.905 ( -1.041 -0.112 -3.003) 3.180 29.549 ( -0.001 3.859 -3.226) 5.030 29.598 ( 0.588 -0.656 -5.416) 5.488 30.157 ( -1.450 1.045 -0.266) 1.807 30.182 ( -0.575 -1.288 -1.603) 2.135 31.537 ( -1.559 1.547 9.305) 9.561 31.574 ( 0.498 -1.987 8.642) 8.881 31.804 ( -3.578 4.030 -4.036) 6.733 31.885 ( -2.349 -4.117 -6.132) 7.751 32.448 ( 1.632 8.205 14.862) 17.055 32.599 ( 3.504 -5.501 9.008) 11.122 33.159 ( 6.982 7.904 -0.926) 10.587 33.355 ( 8.000 -10.321 -15.935) 20.602 35.612 ( -4.968 2.983 0.019) 5.795 35.691 ( -3.523 -4.343 -1.997) 5.939 35.850 ( 1.905 -0.657 1.633) 2.594 35.861 ( 2.059 -1.149 0.309) 2.378 36.403 ( -3.085 5.973 4.674) 8.188 36.511 ( 0.737 -3.367 5.561) 6.542 36.635 ( -1.925 0.102 -3.616) 4.098 36.706 ( 0.488 -5.660 -6.779) 8.844 ======================= Grid point 114 (64/64) ======================= q-point: (-0.17 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 7.109 15.760 11.924) 21.002 1.805 ( 6.784 10.749 6.482) 14.268 1.907 ( 4.919 11.258 0.313) 12.289 2.024 ( 2.152 -8.089 5.811) 10.189 2.166 ( 1.103 -4.632 -0.602) 4.799 2.187 ( -0.596 -7.339 -2.352) 7.730 2.337 ( 1.655 4.531 -3.185) 5.780 2.466 ( 0.597 -6.158 -2.930) 6.845 2.642 ( 0.165 4.317 -1.044) 4.445 2.673 ( -0.883 2.587 -1.792) 3.268 2.809 ( -0.742 1.869 7.347) 7.617 2.833 ( 2.540 -0.340 -2.167) 3.356 2.914 ( 1.171 5.335 11.761) 12.967 2.963 ( 4.768 1.141 -1.061) 5.016 3.063 ( 3.258 2.991 4.107) 6.036 3.104 ( 2.430 -1.781 0.812) 3.120 3.153 ( 1.247 2.561 0.459) 2.885 3.201 ( 0.639 -2.389 2.159) 3.283 3.284 ( 3.086 1.917 2.862) 4.625 3.317 ( 0.661 1.193 0.693) 1.529 3.372 ( 1.529 0.402 1.799) 2.395 3.428 ( -1.629 -3.346 -0.087) 3.722 3.479 ( 1.790 1.544 -1.845) 2.999 3.491 ( -4.176 4.511 0.652) 6.181 3.555 ( 1.248 -3.488 0.438) 3.730 3.667 ( -3.211 -7.656 -1.351) 8.411 3.769 ( -3.507 4.627 -1.207) 5.930 3.837 ( -8.135 -0.897 1.788) 8.377 3.904 ( -1.265 3.699 -1.793) 4.300 3.955 ( 1.825 -0.715 0.546) 2.034 4.026 ( -0.323 1.566 -1.225) 2.014 4.070 ( -2.671 -0.248 2.908) 3.956 4.126 ( -4.330 -3.531 -3.863) 6.793 4.174 ( -1.888 -2.199 -7.279) 7.835 4.305 ( -5.164 -3.811 -5.612) 8.525 4.319 ( -3.646 -3.141 -4.668) 6.704 4.593 ( 3.125 1.718 -4.734) 5.927 4.606 ( 2.528 0.173 -5.394) 5.959 4.693 ( 3.833 3.256 4.297) 6.615 4.767 ( 2.211 -3.007 2.274) 4.370 4.820 ( -1.242 1.465 0.241) 1.935 4.847 ( -2.349 -1.080 -0.805) 2.707 4.937 ( -1.830 4.808 -4.795) 7.033 4.990 ( -3.788 -0.820 -1.621) 4.201 5.126 ( 1.606 1.515 3.251) 3.930 5.143 ( 1.385 -0.137 3.306) 3.587 5.204 ( -1.551 -0.082 4.046) 4.334 5.244 ( -2.364 -3.072 5.111) 6.415 5.366 ( -0.912 1.800 -4.117) 4.585 5.411 ( 0.421 -2.102 -4.756) 5.217 5.502 ( -0.744 1.049 1.533) 2.001 5.526 ( -0.707 -1.198 1.233) 1.859 5.725 ( -2.425 3.165 -6.369) 7.514 5.757 ( -2.033 1.025 -6.876) 7.243 5.884 ( 0.970 -0.004 -1.250) 1.582 5.939 ( 0.134 -3.357 -4.428) 5.558 6.032 ( -0.860 1.698 1.440) 2.387 6.070 ( -1.248 -1.119 -1.055) 1.980 6.247 ( 2.226 2.852 2.098) 4.182 6.284 ( 1.017 -0.874 1.635) 2.114 6.430 ( -0.468 3.998 7.767) 8.748 6.509 ( 2.960 -1.927 4.543) 5.755 6.648 ( 0.641 2.407 -1.787) 3.066 6.758 ( 1.616 -6.432 -3.144) 7.339 7.036 ( 0.624 4.710 4.063) 6.252 7.080 ( 1.322 0.904 -0.251) 1.621 7.394 ( 0.083 -0.429 2.935) 2.967 7.411 ( 0.906 -1.526 -0.821) 1.955 7.807 ( 0.694 4.506 2.750) 5.325 7.870 ( 0.986 3.024 -1.292) 3.433 7.913 ( 1.624 -2.959 1.408) 3.657 7.978 ( 1.180 -4.348 -0.953) 4.605 12.016 ( 3.751 3.012 0.011) 4.811 12.057 ( 3.837 0.205 0.027) 3.843 12.160 ( -0.320 -0.616 0.064) 0.697 12.207 ( -0.220 -4.008 0.036) 4.014 12.388 ( 0.679 0.662 0.334) 1.006 12.403 ( 0.676 -0.795 0.133) 1.051 12.742 ( -2.584 1.252 0.003) 2.871 12.759 ( -2.921 -0.351 -0.177) 2.947 13.914 ( 0.672 0.470 2.893) 3.007 13.925 ( 0.570 -0.624 2.100) 2.264 14.059 ( 0.251 0.920 -1.208) 1.539 14.086 ( 0.665 -1.570 -2.520) 3.042 14.161 ( -0.720 1.281 0.524) 1.560 14.186 ( -0.884 -1.011 -1.799) 2.244 14.415 ( -0.556 0.038 0.040) 0.559 14.426 ( -0.580 -1.029 -1.052) 1.581 16.650 ( 1.647 1.374 -0.138) 2.149 16.671 ( 0.593 -0.675 0.043) 0.900 16.684 ( 5.793 1.428 0.216) 5.971 16.712 ( 5.033 -1.325 -0.419) 5.222 17.063 ( 0.287 1.736 0.561) 1.847 17.086 ( 0.292 -0.333 -0.260) 0.514 17.222 ( -4.824 1.069 -0.039) 4.942 17.245 ( -5.127 -0.926 0.217) 5.214 17.452 ( 1.553 3.004 0.406) 3.406 17.501 ( 1.629 -0.568 0.097) 1.728 17.587 ( -2.015 0.537 -0.486) 2.141 17.636 ( -0.823 -1.659 1.082) 2.145 17.649 ( 0.005 -0.682 -0.926) 1.150 17.666 ( 1.335 -1.636 0.748) 2.240 17.739 ( -0.310 0.854 -0.482) 1.028 17.754 ( -0.488 -0.562 -0.058) 0.746 18.958 ( 1.846 1.175 1.658) 2.746 18.980 ( 0.376 -0.851 1.094) 1.437 19.002 ( 2.159 -0.759 0.320) 2.311 19.006 ( 1.856 -1.172 -1.184) 2.494 19.311 ( 1.025 0.725 -0.085) 1.259 19.337 ( 0.701 -1.881 -0.519) 2.074 19.426 ( -5.845 0.731 0.443) 5.907 19.444 ( -5.723 -0.894 0.182) 5.796 27.815 ( 0.519 -0.301 0.705) 0.925 27.823 ( 0.418 -0.802 1.399) 1.666 27.860 ( -0.832 0.950 -0.567) 1.384 27.882 ( -1.072 -0.981 -0.920) 1.720 28.185 ( 2.611 1.880 0.195) 3.224 28.226 ( 1.691 -2.131 0.013) 2.720 28.489 ( -0.652 0.562 0.065) 0.863 28.501 ( -0.459 -0.565 -0.355) 0.810 28.711 ( 0.641 5.243 2.880) 6.016 28.778 ( 1.091 -0.613 -0.960) 1.577 28.857 ( -1.561 1.346 -2.071) 2.921 28.880 ( -1.074 -0.442 -2.477) 2.736 29.553 ( 0.765 4.280 -5.226) 6.798 29.590 ( -0.934 0.893 -5.780) 5.922 30.136 ( -0.549 0.993 0.131) 1.142 30.170 ( -0.261 -2.115 -2.738) 3.470 31.523 ( -0.635 3.140 9.453) 9.981 31.591 ( 0.666 -3.508 8.625) 9.335 31.728 ( -3.241 4.599 -5.869) 8.130 31.822 ( -3.153 -4.645 -6.558) 8.633 32.493 ( 1.523 8.511 14.632) 16.996 32.657 ( 1.238 -6.358 6.527) 9.196 33.316 ( 7.891 6.254 2.471) 10.367 33.522 ( 8.585 -12.611 -13.427) 20.322 35.534 ( -2.495 3.005 -0.162) 3.908 35.607 ( -4.328 -4.136 -2.032) 6.322 35.876 ( 0.455 0.268 2.595) 2.648 35.894 ( 1.292 -1.114 -0.626) 1.817 36.371 ( -0.287 8.241 5.175) 9.736 36.529 ( 0.636 -6.413 6.582) 9.211 36.575 ( -3.593 4.158 -4.247) 6.945 36.701 ( -0.372 -7.220 -7.197) 10.201 =================== 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 3/30240 10.0 49.075 117.506 127.918 0.000 5.254 0.000 3/30240 20.0 8.829 28.561 30.180 0.000 2.679 0.000 3/30240 30.0 3.305 11.937 12.562 0.000 1.143 0.000 3/30240 40.0 1.881 6.852 7.175 0.000 0.645 0.000 3/30240 50.0 1.312 4.657 4.872 0.000 0.435 0.000 3/30240 60.0 1.017 3.497 3.666 0.000 0.327 0.000 3/30240 70.0 0.838 2.798 2.943 0.000 0.263 0.000 3/30240 80.0 0.717 2.335 2.467 0.000 0.222 0.000 3/30240 90.0 0.630 2.007 2.129 0.000 0.192 0.000 3/30240 100.0 0.563 1.764 1.877 0.000 0.170 0.000 3/30240 110.0 0.511 1.575 1.682 0.000 0.153 0.000 3/30240 120.0 0.468 1.425 1.526 0.000 0.139 0.000 3/30240 130.0 0.433 1.302 1.398 0.000 0.128 0.000 3/30240 140.0 0.404 1.200 1.291 0.000 0.118 0.000 3/30240 150.0 0.379 1.114 1.200 0.000 0.110 0.000 3/30240 160.0 0.358 1.040 1.123 0.000 0.103 0.000 3/30240 170.0 0.339 0.976 1.056 0.000 0.097 0.000 3/30240 180.0 0.323 0.920 0.998 0.000 0.091 0.000 3/30240 190.0 0.309 0.871 0.947 0.000 0.086 0.000 3/30240 200.0 0.296 0.827 0.902 0.000 0.082 0.000 3/30240 210.0 0.285 0.788 0.862 0.000 0.078 0.000 3/30240 220.0 0.275 0.753 0.826 0.000 0.075 0.000 3/30240 230.0 0.265 0.722 0.794 0.000 0.071 0.000 3/30240 240.0 0.257 0.693 0.766 0.000 0.068 0.000 3/30240 250.0 0.250 0.667 0.740 0.000 0.065 0.000 3/30240 260.0 0.243 0.644 0.717 0.000 0.063 0.000 3/30240 270.0 0.237 0.622 0.696 0.000 0.061 0.000 3/30240 280.0 0.231 0.602 0.676 0.000 0.058 0.000 3/30240 290.0 0.226 0.584 0.659 0.000 0.056 0.000 3/30240 300.0 0.221 0.566 0.642 0.000 0.054 0.000 3/30240 310.0 0.216 0.550 0.627 0.000 0.052 0.000 3/30240 320.0 0.212 0.536 0.613 0.000 0.051 0.000 3/30240 330.0 0.207 0.522 0.600 0.000 0.049 0.000 3/30240 340.0 0.204 0.509 0.588 0.000 0.048 0.000 3/30240 350.0 0.200 0.496 0.577 0.000 0.046 0.000 3/30240 360.0 0.197 0.485 0.566 0.000 0.045 0.000 3/30240 370.0 0.193 0.474 0.556 0.000 0.044 0.000 3/30240 380.0 0.190 0.463 0.546 0.000 0.042 0.000 3/30240 390.0 0.187 0.454 0.537 0.000 0.041 0.000 3/30240 400.0 0.184 0.444 0.528 0.000 0.040 0.000 3/30240 410.0 0.181 0.435 0.520 0.000 0.039 0.000 3/30240 420.0 0.179 0.427 0.512 0.000 0.038 0.000 3/30240 430.0 0.176 0.419 0.504 0.000 0.037 0.000 3/30240 440.0 0.174 0.411 0.497 0.000 0.036 0.000 3/30240 450.0 0.171 0.404 0.490 0.000 0.035 0.000 3/30240 460.0 0.169 0.396 0.483 0.000 0.035 0.000 3/30240 470.0 0.167 0.389 0.476 0.000 0.034 0.000 3/30240 480.0 0.164 0.383 0.470 0.000 0.033 0.000 3/30240 490.0 0.162 0.376 0.463 0.000 0.032 0.000 3/30240 500.0 0.160 0.370 0.457 0.000 0.032 0.000 3/30240 510.0 0.158 0.364 0.451 0.000 0.031 0.000 3/30240 520.0 0.156 0.359 0.446 0.000 0.030 0.000 3/30240 530.0 0.154 0.353 0.440 0.000 0.030 0.000 3/30240 540.0 0.152 0.348 0.435 0.000 0.029 0.000 3/30240 550.0 0.151 0.342 0.429 0.000 0.029 0.000 3/30240 560.0 0.149 0.337 0.424 0.000 0.028 0.000 3/30240 570.0 0.147 0.333 0.419 0.000 0.027 0.000 3/30240 580.0 0.145 0.328 0.414 0.000 0.027 0.000 3/30240 590.0 0.144 0.323 0.409 0.000 0.026 0.000 3/30240 600.0 0.142 0.319 0.404 0.000 0.026 0.000 3/30240 610.0 0.140 0.314 0.400 0.000 0.026 0.000 3/30240 620.0 0.139 0.310 0.395 0.000 0.025 0.000 3/30240 630.0 0.137 0.306 0.391 0.000 0.025 0.000 3/30240 640.0 0.136 0.302 0.386 0.000 0.024 0.000 3/30240 650.0 0.134 0.298 0.382 0.000 0.024 0.000 3/30240 660.0 0.133 0.294 0.378 0.000 0.023 0.000 3/30240 670.0 0.131 0.291 0.374 0.000 0.023 0.000 3/30240 680.0 0.130 0.287 0.370 0.000 0.023 0.000 3/30240 690.0 0.129 0.283 0.366 0.000 0.022 0.000 3/30240 700.0 0.127 0.280 0.362 0.000 0.022 0.000 3/30240 710.0 0.126 0.277 0.358 0.000 0.022 0.000 3/30240 720.0 0.125 0.273 0.355 0.000 0.021 0.000 3/30240 730.0 0.123 0.270 0.351 0.000 0.021 0.000 3/30240 740.0 0.122 0.267 0.347 0.000 0.021 0.000 3/30240 750.0 0.121 0.264 0.344 0.000 0.021 0.000 3/30240 760.0 0.120 0.261 0.340 0.000 0.020 0.000 3/30240 770.0 0.118 0.258 0.337 0.000 0.020 0.000 3/30240 780.0 0.117 0.255 0.334 0.000 0.020 0.000 3/30240 790.0 0.116 0.252 0.330 0.000 0.019 0.000 3/30240 800.0 0.115 0.249 0.327 0.000 0.019 0.000 3/30240 810.0 0.114 0.247 0.324 0.000 0.019 0.000 3/30240 820.0 0.113 0.244 0.321 0.000 0.019 0.000 3/30240 830.0 0.112 0.242 0.318 0.000 0.018 0.000 3/30240 840.0 0.111 0.239 0.315 0.000 0.018 0.000 3/30240 850.0 0.110 0.237 0.312 0.000 0.018 0.000 3/30240 860.0 0.109 0.234 0.309 0.000 0.018 0.000 3/30240 870.0 0.108 0.232 0.306 0.000 0.018 0.000 3/30240 880.0 0.107 0.229 0.303 0.000 0.017 0.000 3/30240 890.0 0.106 0.227 0.301 0.000 0.017 0.000 3/30240 900.0 0.105 0.225 0.298 0.000 0.017 0.000 3/30240 910.0 0.104 0.223 0.295 0.000 0.017 0.000 3/30240 920.0 0.103 0.221 0.293 0.000 0.017 0.000 3/30240 930.0 0.102 0.218 0.290 0.000 0.016 0.000 3/30240 940.0 0.101 0.216 0.288 0.000 0.016 0.000 3/30240 950.0 0.100 0.214 0.285 0.000 0.016 0.000 3/30240 960.0 0.099 0.212 0.283 0.000 0.016 0.000 3/30240 970.0 0.099 0.210 0.280 0.000 0.016 0.000 3/30240 980.0 0.098 0.208 0.278 0.000 0.015 0.000 3/30240 990.0 0.097 0.206 0.276 0.000 0.015 0.000 3/30240 1000.0 0.096 0.205 0.273 0.000 0.015 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m675.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:25:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|