----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:06:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.742193345006878 2.737906604288967 3.013506516666663 b -4.742193345006868 2.737906604288967 3.013506516666663 c 0.000000000000005 -5.475813208577942 3.013506516666663 Atomic positions (fractional): *1 O 0.41986603915601 0.17559969567310 0.59509363787826 15.999 2 O 0.59509363787826 0.41986603915601 0.17559969567310 15.999 3 O 0.17559969567310 0.59509363787826 0.41986603915601 15.999 4 O 0.58013396084399 0.82440030432690 0.40490636212174 15.999 5 O 0.40490636212174 0.58013396084399 0.82440030432690 15.999 6 O 0.82440030432690 0.40490636212174 0.58013396084399 15.999 *7 O 0.95958297123949 0.08505881507608 0.30231791836322 15.999 8 O 0.91494118492392 0.69768208163678 0.04041702876051 15.999 9 O 0.69768208163678 0.04041702876052 0.91494118492391 15.999 10 O 0.04041702876051 0.91494118492392 0.69768208163678 15.999 11 O 0.08505881507608 0.30231791836322 0.95958297123949 15.999 12 O 0.30231791836322 0.95958297123949 0.08505881507608 15.999 *13 In 0.14076517764643 0.31831232563966 0.60713454947386 114.818 14 In 0.60713454947386 0.14076517764643 0.31831232563966 114.818 15 In 0.31831232563966 0.60713454947386 0.14076517764643 114.818 16 In 0.85923482235357 0.68168767436035 0.39286545052614 114.818 17 In 0.39286545052614 0.85923482235357 0.68168767436034 114.818 18 In 0.68168767436034 0.39286545052615 0.85923482235357 114.818 *19 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.484386690013746 0.000000000000000 0.000000000000000 b -4.742193345006873 8.213719812866909 0.000000000000000 c 0.000000000000000 0.000000000000000 9.040519549999999 Atomic positions (fractional): *1 O 0.02301291492022 0.80175948635753 0.39685312423579 15.999 > 1 2 O 0.19824051364247 0.22125342856269 0.39685312423579 15.999 > 2 3 O 0.77874657143731 0.97698708507978 0.39685312423579 15.999 > 3 4 O 0.97698708507978 0.19824051364247 0.60314687576421 15.999 > 4 5 O 0.80175948635753 0.77874657143731 0.60314687576421 15.999 > 5 6 O 0.22125342856269 0.02301291492022 0.60314687576421 15.999 > 6 *7 O 0.51059640301322 0.14666864986304 0.44898656822626 15.999 > 7 8 O 0.36392775315018 0.51059640301322 0.55101343177374 15.999 > 8 9 O 0.14666864986304 0.63607224684982 0.55101343177374 15.999 > 9 10 O 0.48940359698678 0.85333135013696 0.55101343177374 15.999 > 10 11 O 0.63607224684982 0.48940359698678 0.44898656822626 15.999 > 11 12 O 0.85333135013696 0.36392775315018 0.44898656822626 15.999 > 12 13 O 0.68967958158689 0.13509281969086 0.73018645756913 15.999 > 1 14 O 0.86490718030914 0.55458676189602 0.73018645756913 15.999 > 2 15 O 0.44541323810398 0.31032041841311 0.73018645756913 15.999 > 3 16 O 0.64365375174645 0.53157384697580 0.93648020909754 15.999 > 4 17 O 0.46842615302420 0.11207990477064 0.93648020909754 15.999 > 5 18 O 0.88792009522936 0.35634624825355 0.93648020909754 15.999 > 6 19 O 0.17726306967989 0.48000198319638 0.78231990155960 15.999 > 7 20 O 0.03059441981684 0.84392973634656 0.88434676510707 15.999 > 8 21 O 0.81333531652971 0.96940558018316 0.88434676510707 15.999 > 9 22 O 0.15607026365344 0.18666468347029 0.88434676510707 15.999 > 10 23 O 0.30273891351649 0.82273693032011 0.78231990155960 15.999 > 11 24 O 0.51999801680362 0.69726108648351 0.78231990155960 15.999 > 12 25 O 0.35634624825355 0.46842615302420 0.06351979090246 15.999 > 1 26 O 0.53157384697580 0.88792009522936 0.06351979090246 15.999 > 2 27 O 0.11207990477064 0.64365375174645 0.06351979090246 15.999 > 3 28 O 0.31032041841311 0.86490718030914 0.26981354243088 15.999 > 4 29 O 0.13509281969086 0.44541323810398 0.26981354243088 15.999 > 5 30 O 0.55458676189602 0.68967958158689 0.26981354243088 15.999 > 6 31 O 0.84392973634656 0.81333531652971 0.11565323489293 15.999 > 7 32 O 0.69726108648351 0.17726306967989 0.21768009844040 15.999 > 8 33 O 0.48000198319638 0.30273891351649 0.21768009844040 15.999 > 9 34 O 0.82273693032011 0.51999801680362 0.21768009844040 15.999 > 10 35 O 0.96940558018316 0.15607026365344 0.11565323489293 15.999 > 11 36 O 0.18666468347029 0.03059441981684 0.11565323489293 15.999 > 12 *37 In 0.78536116005978 0.74826946811279 0.35540401758665 114.818 > 13 38 In 0.25173053188721 0.03709169194699 0.35540401758665 114.818 > 14 39 In 0.96290830805301 0.21463883994022 0.35540401758665 114.818 > 15 40 In 0.21463883994022 0.25173053188721 0.64459598241335 114.818 > 16 41 In 0.74826946811279 0.96290830805301 0.64459598241335 114.818 > 17 42 In 0.03709169194699 0.78536116005978 0.64459598241335 114.818 > 18 43 In 0.45202782672645 0.08160280144613 0.68873735091998 114.818 > 13 44 In 0.91839719855388 0.37042502528033 0.68873735091998 114.818 > 14 45 In 0.62957497471968 0.54797217327355 0.68873735091998 114.818 > 15 46 In 0.88130550660688 0.58506386522054 0.97792931574669 114.818 > 16 47 In 0.41493613477946 0.29624164138634 0.97792931574669 114.818 > 17 48 In 0.70375835861366 0.11869449339312 0.97792931574669 114.818 > 18 49 In 0.11869449339312 0.41493613477946 0.02207068425331 114.818 > 13 50 In 0.58506386522054 0.70375835861366 0.02207068425331 114.818 > 14 51 In 0.29624164138634 0.88130550660688 0.02207068425331 114.818 > 15 52 In 0.54797217327355 0.91839719855388 0.31126264908002 114.818 > 16 53 In 0.08160280144613 0.62957497471968 0.31126264908002 114.818 > 17 54 In 0.37042502528033 0.45202782672645 0.31126264908002 114.818 > 18 *55 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 19 56 Te 0.66666666666667 0.33333333333333 0.33333333333333 127.600 > 19 57 Te 0.33333333333333 0.66666666666667 0.66666666666667 127.600 > 19 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.484386690013746 0.000000000000000 0.000000000000000 b -4.742193345006873 8.213719812866909 0.000000000000000 c 0.000000000000000 0.000000000000000 18.081039099999998 Atomic positions (fractional): *1 O 0.02301291492022 0.80175948635753 0.19842656211790 15.999 > 1 2 O 0.02301291492022 0.80175948635753 0.69842656211790 15.999 > 1 3 O 0.19824051364247 0.22125342856269 0.19842656211790 15.999 > 2 4 O 0.19824051364247 0.22125342856269 0.69842656211790 15.999 > 2 5 O 0.77874657143731 0.97698708507978 0.19842656211790 15.999 > 3 6 O 0.77874657143731 0.97698708507978 0.69842656211790 15.999 > 3 7 O 0.97698708507978 0.19824051364247 0.30157343788210 15.999 > 4 8 O 0.97698708507978 0.19824051364247 0.80157343788210 15.999 > 4 9 O 0.80175948635753 0.77874657143731 0.30157343788210 15.999 > 5 10 O 0.80175948635753 0.77874657143731 0.80157343788210 15.999 > 5 11 O 0.22125342856269 0.02301291492022 0.30157343788210 15.999 > 6 12 O 0.22125342856269 0.02301291492022 0.80157343788210 15.999 > 6 *13 O 0.51059640301322 0.14666864986304 0.22449328411313 15.999 > 7 14 O 0.51059640301322 0.14666864986304 0.72449328411313 15.999 > 7 15 O 0.36392775315018 0.51059640301322 0.27550671588687 15.999 > 8 16 O 0.36392775315018 0.51059640301322 0.77550671588687 15.999 > 8 17 O 0.14666864986304 0.63607224684982 0.27550671588687 15.999 > 9 18 O 0.14666864986304 0.63607224684982 0.77550671588687 15.999 > 9 19 O 0.48940359698678 0.85333135013696 0.27550671588687 15.999 > 10 20 O 0.48940359698678 0.85333135013696 0.77550671588687 15.999 > 10 21 O 0.63607224684982 0.48940359698678 0.22449328411313 15.999 > 11 22 O 0.63607224684982 0.48940359698678 0.72449328411313 15.999 > 11 23 O 0.85333135013696 0.36392775315018 0.22449328411313 15.999 > 12 24 O 0.85333135013696 0.36392775315018 0.72449328411313 15.999 > 12 25 O 0.68967958158689 0.13509281969086 0.36509322878456 15.999 > 1 26 O 0.68967958158689 0.13509281969086 0.86509322878456 15.999 > 1 27 O 0.86490718030914 0.55458676189602 0.36509322878456 15.999 > 2 28 O 0.86490718030914 0.55458676189602 0.86509322878456 15.999 > 2 29 O 0.44541323810398 0.31032041841311 0.36509322878456 15.999 > 3 30 O 0.44541323810398 0.31032041841311 0.86509322878456 15.999 > 3 31 O 0.64365375174645 0.53157384697580 0.46824010454877 15.999 > 4 32 O 0.64365375174645 0.53157384697580 0.96824010454877 15.999 > 4 33 O 0.46842615302420 0.11207990477064 0.46824010454877 15.999 > 5 34 O 0.46842615302420 0.11207990477064 0.96824010454877 15.999 > 5 35 O 0.88792009522936 0.35634624825355 0.46824010454877 15.999 > 6 36 O 0.88792009522936 0.35634624825355 0.96824010454877 15.999 > 6 37 O 0.17726306967989 0.48000198319638 0.39115995077980 15.999 > 7 38 O 0.17726306967989 0.48000198319638 0.89115995077980 15.999 > 7 39 O 0.03059441981684 0.84392973634656 0.44217338255353 15.999 > 8 40 O 0.03059441981684 0.84392973634656 0.94217338255353 15.999 > 8 41 O 0.81333531652971 0.96940558018316 0.44217338255353 15.999 > 9 42 O 0.81333531652971 0.96940558018316 0.94217338255353 15.999 > 9 43 O 0.15607026365344 0.18666468347029 0.44217338255353 15.999 > 10 44 O 0.15607026365344 0.18666468347029 0.94217338255353 15.999 > 10 45 O 0.30273891351649 0.82273693032011 0.39115995077980 15.999 > 11 46 O 0.30273891351649 0.82273693032011 0.89115995077980 15.999 > 11 47 O 0.51999801680362 0.69726108648351 0.39115995077980 15.999 > 12 48 O 0.51999801680362 0.69726108648351 0.89115995077980 15.999 > 12 49 O 0.35634624825355 0.46842615302420 0.03175989545123 15.999 > 1 50 O 0.35634624825355 0.46842615302420 0.53175989545123 15.999 > 1 51 O 0.53157384697580 0.88792009522936 0.03175989545123 15.999 > 2 52 O 0.53157384697580 0.88792009522936 0.53175989545123 15.999 > 2 53 O 0.11207990477064 0.64365375174645 0.03175989545123 15.999 > 3 54 O 0.11207990477064 0.64365375174645 0.53175989545123 15.999 > 3 55 O 0.31032041841311 0.86490718030914 0.13490677121544 15.999 > 4 56 O 0.31032041841311 0.86490718030914 0.63490677121544 15.999 > 4 57 O 0.13509281969086 0.44541323810398 0.13490677121544 15.999 > 5 58 O 0.13509281969086 0.44541323810398 0.63490677121544 15.999 > 5 59 O 0.55458676189602 0.68967958158689 0.13490677121544 15.999 > 6 60 O 0.55458676189602 0.68967958158689 0.63490677121544 15.999 > 6 61 O 0.84392973634656 0.81333531652971 0.05782661744647 15.999 > 7 62 O 0.84392973634656 0.81333531652971 0.55782661744647 15.999 > 7 63 O 0.69726108648351 0.17726306967989 0.10884004922020 15.999 > 8 64 O 0.69726108648351 0.17726306967989 0.60884004922020 15.999 > 8 65 O 0.48000198319638 0.30273891351649 0.10884004922020 15.999 > 9 66 O 0.48000198319638 0.30273891351649 0.60884004922020 15.999 > 9 67 O 0.82273693032011 0.51999801680362 0.10884004922020 15.999 > 10 68 O 0.82273693032011 0.51999801680362 0.60884004922020 15.999 > 10 69 O 0.96940558018316 0.15607026365344 0.05782661744647 15.999 > 11 70 O 0.96940558018316 0.15607026365344 0.55782661744647 15.999 > 11 71 O 0.18666468347029 0.03059441981684 0.05782661744647 15.999 > 12 72 O 0.18666468347029 0.03059441981684 0.55782661744647 15.999 > 12 *73 In 0.78536116005978 0.74826946811279 0.17770200879332 114.818 > 13 74 In 0.78536116005978 0.74826946811279 0.67770200879332 114.818 > 13 75 In 0.25173053188721 0.03709169194699 0.17770200879332 114.818 > 14 76 In 0.25173053188721 0.03709169194699 0.67770200879332 114.818 > 14 77 In 0.96290830805301 0.21463883994022 0.17770200879332 114.818 > 15 78 In 0.96290830805301 0.21463883994022 0.67770200879332 114.818 > 15 79 In 0.21463883994022 0.25173053188721 0.32229799120668 114.818 > 16 80 In 0.21463883994022 0.25173053188721 0.82229799120668 114.818 > 16 81 In 0.74826946811279 0.96290830805301 0.32229799120668 114.818 > 17 82 In 0.74826946811279 0.96290830805301 0.82229799120668 114.818 > 17 83 In 0.03709169194699 0.78536116005978 0.32229799120668 114.818 > 18 84 In 0.03709169194699 0.78536116005978 0.82229799120668 114.818 > 18 85 In 0.45202782672645 0.08160280144613 0.34436867545999 114.818 > 13 86 In 0.45202782672645 0.08160280144613 0.84436867545999 114.818 > 13 87 In 0.91839719855388 0.37042502528033 0.34436867545999 114.818 > 14 88 In 0.91839719855388 0.37042502528033 0.84436867545999 114.818 > 14 89 In 0.62957497471968 0.54797217327355 0.34436867545999 114.818 > 15 90 In 0.62957497471968 0.54797217327355 0.84436867545999 114.818 > 15 91 In 0.88130550660688 0.58506386522054 0.48896465787334 114.818 > 16 92 In 0.88130550660688 0.58506386522054 0.98896465787334 114.818 > 16 93 In 0.41493613477946 0.29624164138634 0.48896465787334 114.818 > 17 94 In 0.41493613477946 0.29624164138634 0.98896465787334 114.818 > 17 95 In 0.70375835861366 0.11869449339312 0.48896465787334 114.818 > 18 96 In 0.70375835861366 0.11869449339312 0.98896465787334 114.818 > 18 97 In 0.11869449339312 0.41493613477946 0.01103534212666 114.818 > 13 98 In 0.11869449339312 0.41493613477946 0.51103534212666 114.818 > 13 99 In 0.58506386522054 0.70375835861366 0.01103534212666 114.818 > 14 100 In 0.58506386522054 0.70375835861366 0.51103534212666 114.818 > 14 101 In 0.29624164138634 0.88130550660688 0.01103534212666 114.818 > 15 102 In 0.29624164138634 0.88130550660688 0.51103534212666 114.818 > 15 103 In 0.54797217327355 0.91839719855388 0.15563132454001 114.818 > 16 104 In 0.54797217327355 0.91839719855388 0.65563132454001 114.818 > 16 105 In 0.08160280144613 0.62957497471968 0.15563132454001 114.818 > 17 106 In 0.08160280144613 0.62957497471968 0.65563132454001 114.818 > 17 107 In 0.37042502528033 0.45202782672645 0.15563132454001 114.818 > 18 108 In 0.37042502528033 0.45202782672645 0.65563132454001 114.818 > 18 *109 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 19 110 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 19 111 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 19 112 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 19 113 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 19 114 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 19 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9449358 -0.0000006 0.0000000 0.0000006 4.9449358 0.0000000 0.0000000 0.0000000 4.9061016 -------------------------- Born effective charges -------------------------- 1 O -2.2845373 -0.1289670 0.0172428 -0.1806699 -2.0466942 -0.0956379 0.0377218 0.0048960 -2.0168258 2 O -2.2402317 0.2062498 0.0742035 0.1545469 -2.0909998 0.0627517 -0.0231010 0.0302200 -2.0168258 3 O -1.9720783 0.0002716 -0.0914463 -0.0514314 -2.3591533 0.0328862 -0.0146208 -0.0351161 -2.0168258 4 O -2.2845373 -0.1289670 0.0172428 -0.1806699 -2.0466942 -0.0956379 0.0377218 0.0048960 -2.0168258 5 O -2.2402317 0.2062498 0.0742035 0.1545469 -2.0909998 0.0627517 -0.0231010 0.0302200 -2.0168258 6 O -1.9720783 0.0002716 -0.0914463 -0.0514314 -2.3591533 0.0328862 -0.0146208 -0.0351161 -2.0168258 7 O -1.8519680 -0.3913759 0.1331557 -0.3459981 -2.3141786 0.4334631 0.2097807 0.5040632 -2.2110414 8 O -1.8793337 0.3617977 0.3088122 0.4071754 -2.2868130 -0.3320478 0.3316411 -0.4337070 -2.2110414 9 O -2.5179183 -0.0384884 -0.4419679 0.0068893 -1.6482283 -0.1014153 -0.5414219 -0.0703561 -2.2110414 10 O -1.8519680 -0.3913759 0.1331557 -0.3459981 -2.3141786 0.4334631 0.2097807 0.5040632 -2.2110414 11 O -1.8793337 0.3617977 0.3088122 0.4071754 -2.2868130 -0.3320478 0.3316411 -0.4337070 -2.2110414 12 O -2.5179183 -0.0384884 -0.4419679 0.0068893 -1.6482283 -0.1014153 -0.5414219 -0.0703561 -2.2110414 13 In 3.3267195 -0.2706300 0.0233712 -0.1975907 3.3608272 -0.1602462 0.1116802 0.0542965 3.4920684 14 In 3.1495547 0.0953046 0.1270916 0.1683439 3.5379920 0.1003632 -0.1028623 0.0695696 3.4920684 15 In 3.5550458 0.0657665 -0.1504629 0.1388058 3.1325009 0.0598830 -0.0088179 -0.1238662 3.4920684 16 In 3.3267195 -0.2706300 0.0233712 -0.1975907 3.3608272 -0.1602462 0.1116802 0.0542965 3.4920684 17 In 3.1495547 0.0953046 0.1270916 0.1683439 3.5379920 0.1003632 -0.1028623 0.0695696 3.4920684 18 In 3.5550458 0.0657665 -0.1504629 0.1388058 3.1325009 0.0598830 -0.0088179 -0.1238662 3.4920684 19 Te 5.4294946 0.2001423 -0.0000000 -0.2001423 5.4294946 -0.0000000 0.0000000 -0.0000000 4.4147933 ---------------------------------------------------------------------------- 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: 342/342 Permutation basis: 13062/13062 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1664 Number of blocks in projector: 754 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 239 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 720 / 720 (1) 208 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1664, 1635), data: False |-- (196, 192), data: True |-- (720, 708), data: False |-- (720, 12), data: (720, 24) @ (24, 12) |-- (220, 208), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (748, 735), data: False |-- (748, 9), data: (748, 22) @ (22, 9) |-- (248, 239), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 237), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 114 / 114 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 2.510 Solver_block: 200 / 400 - Time: 2.520 Solver_block: 300 / 400 - Time: 2.522 Solver_block: 400 / 400 - Time: 2.529 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.124 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 342/342 Permutation basis: 13062/13062 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1664 Number of blocks in projector: 754 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 748 / 748 (1) 239 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 720 / 720 (1) 208 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1664, 1635), data: False |-- (196, 192), data: True |-- (720, 708), data: False |-- (720, 12), data: (720, 24) @ (24, 12) |-- (220, 208), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (748, 735), data: False |-- (748, 9), data: (748, 22) @ (22, 9) |-- (248, 239), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 237), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:06:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:06:32]------------------------- 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 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.742193345006878 2.737906604288967 3.013506516666663 b -4.742193345006868 2.737906604288967 3.013506516666663 c 0.000000000000005 -5.475813208577942 3.013506516666663 Atomic positions (fractional): 1 O 0.41986603915601 0.17559969567310 0.59509363787826 15.999 2 O 0.59509363787826 0.41986603915601 0.17559969567310 15.999 3 O 0.17559969567310 0.59509363787826 0.41986603915601 15.999 4 O 0.58013396084399 0.82440030432690 0.40490636212174 15.999 5 O 0.40490636212174 0.58013396084399 0.82440030432690 15.999 6 O 0.82440030432690 0.40490636212174 0.58013396084399 15.999 7 O 0.95958297123949 0.08505881507608 0.30231791836322 15.999 8 O 0.91494118492392 0.69768208163678 0.04041702876051 15.999 9 O 0.69768208163678 0.04041702876052 0.91494118492391 15.999 10 O 0.04041702876051 0.91494118492392 0.69768208163678 15.999 11 O 0.08505881507608 0.30231791836322 0.95958297123949 15.999 12 O 0.30231791836322 0.95958297123949 0.08505881507608 15.999 13 In 0.14076517764643 0.31831232563966 0.60713454947386 114.818 14 In 0.60713454947386 0.14076517764643 0.31831232563966 114.818 15 In 0.31831232563966 0.60713454947386 0.14076517764643 114.818 16 In 0.85923482235357 0.68168767436035 0.39286545052614 114.818 17 In 0.39286545052614 0.85923482235357 0.68168767436034 114.818 18 In 0.68168767436034 0.39286545052615 0.85923482235357 114.818 19 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.484386690013746 0.000000000000000 0.000000000000000 b -4.742193345006873 8.213719812866909 0.000000000000000 c 0.000000000000000 0.000000000000000 18.081039099999998 Atomic positions (fractional): 1 O 0.02301291492022 0.80175948635753 0.19842656211790 15.999 > 1 2 O 0.02301291492022 0.80175948635753 0.69842656211790 15.999 > 1 3 O 0.19824051364247 0.22125342856269 0.19842656211790 15.999 > 3 4 O 0.19824051364247 0.22125342856269 0.69842656211790 15.999 > 3 5 O 0.77874657143731 0.97698708507978 0.19842656211790 15.999 > 5 6 O 0.77874657143731 0.97698708507978 0.69842656211790 15.999 > 5 7 O 0.97698708507978 0.19824051364247 0.30157343788210 15.999 > 7 8 O 0.97698708507978 0.19824051364247 0.80157343788210 15.999 > 7 9 O 0.80175948635753 0.77874657143731 0.30157343788210 15.999 > 9 10 O 0.80175948635753 0.77874657143731 0.80157343788210 15.999 > 9 11 O 0.22125342856269 0.02301291492022 0.30157343788210 15.999 > 11 12 O 0.22125342856269 0.02301291492022 0.80157343788210 15.999 > 11 13 O 0.51059640301322 0.14666864986304 0.22449328411313 15.999 > 13 14 O 0.51059640301322 0.14666864986304 0.72449328411313 15.999 > 13 15 O 0.36392775315018 0.51059640301322 0.27550671588687 15.999 > 15 16 O 0.36392775315018 0.51059640301322 0.77550671588687 15.999 > 15 17 O 0.14666864986304 0.63607224684982 0.27550671588687 15.999 > 17 18 O 0.14666864986304 0.63607224684982 0.77550671588687 15.999 > 17 19 O 0.48940359698678 0.85333135013696 0.27550671588687 15.999 > 19 20 O 0.48940359698678 0.85333135013696 0.77550671588687 15.999 > 19 21 O 0.63607224684982 0.48940359698678 0.22449328411313 15.999 > 21 22 O 0.63607224684982 0.48940359698678 0.72449328411313 15.999 > 21 23 O 0.85333135013696 0.36392775315018 0.22449328411313 15.999 > 23 24 O 0.85333135013696 0.36392775315018 0.72449328411313 15.999 > 23 25 O 0.68967958158689 0.13509281969086 0.36509322878456 15.999 > 1 26 O 0.68967958158689 0.13509281969086 0.86509322878456 15.999 > 1 27 O 0.86490718030914 0.55458676189602 0.36509322878456 15.999 > 3 28 O 0.86490718030914 0.55458676189602 0.86509322878456 15.999 > 3 29 O 0.44541323810398 0.31032041841311 0.36509322878456 15.999 > 5 30 O 0.44541323810398 0.31032041841311 0.86509322878456 15.999 > 5 31 O 0.64365375174645 0.53157384697580 0.46824010454877 15.999 > 7 32 O 0.64365375174645 0.53157384697580 0.96824010454877 15.999 > 7 33 O 0.46842615302420 0.11207990477064 0.46824010454877 15.999 > 9 34 O 0.46842615302420 0.11207990477064 0.96824010454877 15.999 > 9 35 O 0.88792009522936 0.35634624825355 0.46824010454877 15.999 > 11 36 O 0.88792009522936 0.35634624825355 0.96824010454877 15.999 > 11 37 O 0.17726306967989 0.48000198319638 0.39115995077980 15.999 > 13 38 O 0.17726306967989 0.48000198319638 0.89115995077980 15.999 > 13 39 O 0.03059441981684 0.84392973634656 0.44217338255353 15.999 > 15 40 O 0.03059441981684 0.84392973634656 0.94217338255353 15.999 > 15 41 O 0.81333531652971 0.96940558018316 0.44217338255353 15.999 > 17 42 O 0.81333531652971 0.96940558018316 0.94217338255353 15.999 > 17 43 O 0.15607026365344 0.18666468347029 0.44217338255353 15.999 > 19 44 O 0.15607026365344 0.18666468347029 0.94217338255353 15.999 > 19 45 O 0.30273891351649 0.82273693032011 0.39115995077980 15.999 > 21 46 O 0.30273891351649 0.82273693032011 0.89115995077980 15.999 > 21 47 O 0.51999801680362 0.69726108648351 0.39115995077980 15.999 > 23 48 O 0.51999801680362 0.69726108648351 0.89115995077980 15.999 > 23 49 O 0.35634624825355 0.46842615302420 0.03175989545123 15.999 > 1 50 O 0.35634624825355 0.46842615302420 0.53175989545123 15.999 > 1 51 O 0.53157384697580 0.88792009522936 0.03175989545123 15.999 > 3 52 O 0.53157384697580 0.88792009522936 0.53175989545123 15.999 > 3 53 O 0.11207990477064 0.64365375174645 0.03175989545123 15.999 > 5 54 O 0.11207990477064 0.64365375174645 0.53175989545123 15.999 > 5 55 O 0.31032041841311 0.86490718030914 0.13490677121544 15.999 > 7 56 O 0.31032041841311 0.86490718030914 0.63490677121544 15.999 > 7 57 O 0.13509281969086 0.44541323810398 0.13490677121544 15.999 > 9 58 O 0.13509281969086 0.44541323810398 0.63490677121544 15.999 > 9 59 O 0.55458676189602 0.68967958158689 0.13490677121544 15.999 > 11 60 O 0.55458676189602 0.68967958158689 0.63490677121544 15.999 > 11 61 O 0.84392973634656 0.81333531652971 0.05782661744647 15.999 > 13 62 O 0.84392973634656 0.81333531652971 0.55782661744647 15.999 > 13 63 O 0.69726108648351 0.17726306967989 0.10884004922020 15.999 > 15 64 O 0.69726108648351 0.17726306967989 0.60884004922020 15.999 > 15 65 O 0.48000198319638 0.30273891351649 0.10884004922020 15.999 > 17 66 O 0.48000198319638 0.30273891351649 0.60884004922020 15.999 > 17 67 O 0.82273693032011 0.51999801680362 0.10884004922020 15.999 > 19 68 O 0.82273693032011 0.51999801680362 0.60884004922020 15.999 > 19 69 O 0.96940558018316 0.15607026365344 0.05782661744647 15.999 > 21 70 O 0.96940558018316 0.15607026365344 0.55782661744647 15.999 > 21 71 O 0.18666468347029 0.03059441981684 0.05782661744647 15.999 > 23 72 O 0.18666468347029 0.03059441981684 0.55782661744647 15.999 > 23 73 In 0.78536116005978 0.74826946811279 0.17770200879332 114.818 > 73 74 In 0.78536116005978 0.74826946811279 0.67770200879332 114.818 > 73 75 In 0.25173053188721 0.03709169194699 0.17770200879332 114.818 > 75 76 In 0.25173053188721 0.03709169194699 0.67770200879332 114.818 > 75 77 In 0.96290830805301 0.21463883994022 0.17770200879332 114.818 > 77 78 In 0.96290830805301 0.21463883994022 0.67770200879332 114.818 > 77 79 In 0.21463883994022 0.25173053188721 0.32229799120668 114.818 > 79 80 In 0.21463883994022 0.25173053188721 0.82229799120668 114.818 > 79 81 In 0.74826946811279 0.96290830805301 0.32229799120668 114.818 > 81 82 In 0.74826946811279 0.96290830805301 0.82229799120668 114.818 > 81 83 In 0.03709169194699 0.78536116005978 0.32229799120668 114.818 > 83 84 In 0.03709169194699 0.78536116005978 0.82229799120668 114.818 > 83 85 In 0.45202782672645 0.08160280144613 0.34436867545999 114.818 > 73 86 In 0.45202782672645 0.08160280144613 0.84436867545999 114.818 > 73 87 In 0.91839719855388 0.37042502528033 0.34436867545999 114.818 > 75 88 In 0.91839719855388 0.37042502528033 0.84436867545999 114.818 > 75 89 In 0.62957497471968 0.54797217327355 0.34436867545999 114.818 > 77 90 In 0.62957497471968 0.54797217327355 0.84436867545999 114.818 > 77 91 In 0.88130550660688 0.58506386522054 0.48896465787334 114.818 > 79 92 In 0.88130550660688 0.58506386522054 0.98896465787334 114.818 > 79 93 In 0.41493613477946 0.29624164138634 0.48896465787334 114.818 > 81 94 In 0.41493613477946 0.29624164138634 0.98896465787334 114.818 > 81 95 In 0.70375835861366 0.11869449339312 0.48896465787334 114.818 > 83 96 In 0.70375835861366 0.11869449339312 0.98896465787334 114.818 > 83 97 In 0.11869449339312 0.41493613477946 0.01103534212666 114.818 > 73 98 In 0.11869449339312 0.41493613477946 0.51103534212666 114.818 > 73 99 In 0.58506386522054 0.70375835861366 0.01103534212666 114.818 > 75 100 In 0.58506386522054 0.70375835861366 0.51103534212666 114.818 > 75 101 In 0.29624164138634 0.88130550660688 0.01103534212666 114.818 > 77 102 In 0.29624164138634 0.88130550660688 0.51103534212666 114.818 > 77 103 In 0.54797217327355 0.91839719855388 0.15563132454001 114.818 > 79 104 In 0.54797217327355 0.91839719855388 0.65563132454001 114.818 > 79 105 In 0.08160280144613 0.62957497471968 0.15563132454001 114.818 > 81 106 In 0.08160280144613 0.62957497471968 0.65563132454001 114.818 > 81 107 In 0.37042502528033 0.45202782672645 0.15563132454001 114.818 > 83 108 In 0.37042502528033 0.45202782672645 0.65563132454001 114.818 > 83 109 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 109 110 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 109 111 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 109 112 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 109 113 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 109 114 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9449358 -0.0000006 0.0000000 0.0000006 4.9449358 0.0000000 0.0000000 0.0000000 4.9061016 -------------------------- Born effective charges -------------------------- 1 O -2.2845373 -0.1289670 0.0172428 -0.1806699 -2.0466942 -0.0956379 0.0377218 0.0048960 -2.0168258 2 O -2.2402317 0.2062498 0.0742035 0.1545469 -2.0909998 0.0627517 -0.0231010 0.0302200 -2.0168258 3 O -1.9720783 0.0002716 -0.0914463 -0.0514314 -2.3591533 0.0328862 -0.0146208 -0.0351161 -2.0168258 4 O -2.2845373 -0.1289670 0.0172428 -0.1806699 -2.0466942 -0.0956379 0.0377218 0.0048960 -2.0168258 5 O -2.2402317 0.2062498 0.0742035 0.1545469 -2.0909998 0.0627517 -0.0231010 0.0302200 -2.0168258 6 O -1.9720783 0.0002716 -0.0914463 -0.0514314 -2.3591533 0.0328862 -0.0146208 -0.0351161 -2.0168258 7 O -1.8519680 -0.3913759 0.1331557 -0.3459981 -2.3141786 0.4334631 0.2097807 0.5040632 -2.2110414 8 O -1.8793337 0.3617977 0.3088122 0.4071754 -2.2868130 -0.3320478 0.3316411 -0.4337070 -2.2110414 9 O -2.5179183 -0.0384884 -0.4419679 0.0068893 -1.6482283 -0.1014153 -0.5414219 -0.0703561 -2.2110414 10 O -1.8519680 -0.3913759 0.1331557 -0.3459981 -2.3141786 0.4334631 0.2097807 0.5040632 -2.2110414 11 O -1.8793337 0.3617977 0.3088122 0.4071754 -2.2868130 -0.3320478 0.3316411 -0.4337070 -2.2110414 12 O -2.5179183 -0.0384884 -0.4419679 0.0068893 -1.6482283 -0.1014153 -0.5414219 -0.0703561 -2.2110414 13 In 3.3267195 -0.2706300 0.0233712 -0.1975907 3.3608272 -0.1602462 0.1116802 0.0542965 3.4920684 14 In 3.1495547 0.0953046 0.1270916 0.1683439 3.5379920 0.1003632 -0.1028623 0.0695696 3.4920684 15 In 3.5550458 0.0657665 -0.1504629 0.1388058 3.1325009 0.0598830 -0.0088179 -0.1238662 3.4920684 16 In 3.3267195 -0.2706300 0.0233712 -0.1975907 3.3608272 -0.1602462 0.1116802 0.0542965 3.4920684 17 In 3.1495547 0.0953046 0.1270916 0.1683439 3.5379920 0.1003632 -0.1028623 0.0695696 3.4920684 18 In 3.5550458 0.0657665 -0.1504629 0.1388058 3.1325009 0.0598830 -0.0088179 -0.1238662 3.4920684 19 Te 5.4294946 0.2001423 -0.0000000 -0.2001423 5.4294946 -0.0000000 0.0000000 -0.0000000 4.4147933 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 05:06:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:06:50]------------------------- 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 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.742193345006878 2.737906604288967 3.013506516666663 b -4.742193345006868 2.737906604288967 3.013506516666663 c 0.000000000000005 -5.475813208577942 3.013506516666663 Atomic positions (fractional): 1 O 0.41986603915601 0.17559969567310 0.59509363787826 15.999 2 O 0.59509363787826 0.41986603915601 0.17559969567310 15.999 3 O 0.17559969567310 0.59509363787826 0.41986603915601 15.999 4 O 0.58013396084399 0.82440030432690 0.40490636212174 15.999 5 O 0.40490636212174 0.58013396084399 0.82440030432690 15.999 6 O 0.82440030432690 0.40490636212174 0.58013396084399 15.999 7 O 0.95958297123949 0.08505881507608 0.30231791836322 15.999 8 O 0.91494118492392 0.69768208163678 0.04041702876051 15.999 9 O 0.69768208163678 0.04041702876052 0.91494118492391 15.999 10 O 0.04041702876051 0.91494118492392 0.69768208163678 15.999 11 O 0.08505881507608 0.30231791836322 0.95958297123949 15.999 12 O 0.30231791836322 0.95958297123949 0.08505881507608 15.999 13 In 0.14076517764643 0.31831232563966 0.60713454947386 114.818 14 In 0.60713454947386 0.14076517764643 0.31831232563966 114.818 15 In 0.31831232563966 0.60713454947386 0.14076517764643 114.818 16 In 0.85923482235357 0.68168767436035 0.39286545052614 114.818 17 In 0.39286545052614 0.85923482235357 0.68168767436034 114.818 18 In 0.68168767436034 0.39286545052615 0.85923482235357 114.818 19 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.484386690013746 0.000000000000000 0.000000000000000 b -4.742193345006873 8.213719812866909 0.000000000000000 c 0.000000000000000 0.000000000000000 18.081039099999998 Atomic positions (fractional): 1 O 0.02301291492022 0.80175948635753 0.19842656211790 15.999 > 1 2 O 0.02301291492022 0.80175948635753 0.69842656211790 15.999 > 1 3 O 0.19824051364247 0.22125342856269 0.19842656211790 15.999 > 3 4 O 0.19824051364247 0.22125342856269 0.69842656211790 15.999 > 3 5 O 0.77874657143731 0.97698708507978 0.19842656211790 15.999 > 5 6 O 0.77874657143731 0.97698708507978 0.69842656211790 15.999 > 5 7 O 0.97698708507978 0.19824051364247 0.30157343788210 15.999 > 7 8 O 0.97698708507978 0.19824051364247 0.80157343788210 15.999 > 7 9 O 0.80175948635753 0.77874657143731 0.30157343788210 15.999 > 9 10 O 0.80175948635753 0.77874657143731 0.80157343788210 15.999 > 9 11 O 0.22125342856269 0.02301291492022 0.30157343788210 15.999 > 11 12 O 0.22125342856269 0.02301291492022 0.80157343788210 15.999 > 11 13 O 0.51059640301322 0.14666864986304 0.22449328411313 15.999 > 13 14 O 0.51059640301322 0.14666864986304 0.72449328411313 15.999 > 13 15 O 0.36392775315018 0.51059640301322 0.27550671588687 15.999 > 15 16 O 0.36392775315018 0.51059640301322 0.77550671588687 15.999 > 15 17 O 0.14666864986304 0.63607224684982 0.27550671588687 15.999 > 17 18 O 0.14666864986304 0.63607224684982 0.77550671588687 15.999 > 17 19 O 0.48940359698678 0.85333135013696 0.27550671588687 15.999 > 19 20 O 0.48940359698678 0.85333135013696 0.77550671588687 15.999 > 19 21 O 0.63607224684982 0.48940359698678 0.22449328411313 15.999 > 21 22 O 0.63607224684982 0.48940359698678 0.72449328411313 15.999 > 21 23 O 0.85333135013696 0.36392775315018 0.22449328411313 15.999 > 23 24 O 0.85333135013696 0.36392775315018 0.72449328411313 15.999 > 23 25 O 0.68967958158689 0.13509281969086 0.36509322878456 15.999 > 1 26 O 0.68967958158689 0.13509281969086 0.86509322878456 15.999 > 1 27 O 0.86490718030914 0.55458676189602 0.36509322878456 15.999 > 3 28 O 0.86490718030914 0.55458676189602 0.86509322878456 15.999 > 3 29 O 0.44541323810398 0.31032041841311 0.36509322878456 15.999 > 5 30 O 0.44541323810398 0.31032041841311 0.86509322878456 15.999 > 5 31 O 0.64365375174645 0.53157384697580 0.46824010454877 15.999 > 7 32 O 0.64365375174645 0.53157384697580 0.96824010454877 15.999 > 7 33 O 0.46842615302420 0.11207990477064 0.46824010454877 15.999 > 9 34 O 0.46842615302420 0.11207990477064 0.96824010454877 15.999 > 9 35 O 0.88792009522936 0.35634624825355 0.46824010454877 15.999 > 11 36 O 0.88792009522936 0.35634624825355 0.96824010454877 15.999 > 11 37 O 0.17726306967989 0.48000198319638 0.39115995077980 15.999 > 13 38 O 0.17726306967989 0.48000198319638 0.89115995077980 15.999 > 13 39 O 0.03059441981684 0.84392973634656 0.44217338255353 15.999 > 15 40 O 0.03059441981684 0.84392973634656 0.94217338255353 15.999 > 15 41 O 0.81333531652971 0.96940558018316 0.44217338255353 15.999 > 17 42 O 0.81333531652971 0.96940558018316 0.94217338255353 15.999 > 17 43 O 0.15607026365344 0.18666468347029 0.44217338255353 15.999 > 19 44 O 0.15607026365344 0.18666468347029 0.94217338255353 15.999 > 19 45 O 0.30273891351649 0.82273693032011 0.39115995077980 15.999 > 21 46 O 0.30273891351649 0.82273693032011 0.89115995077980 15.999 > 21 47 O 0.51999801680362 0.69726108648351 0.39115995077980 15.999 > 23 48 O 0.51999801680362 0.69726108648351 0.89115995077980 15.999 > 23 49 O 0.35634624825355 0.46842615302420 0.03175989545123 15.999 > 1 50 O 0.35634624825355 0.46842615302420 0.53175989545123 15.999 > 1 51 O 0.53157384697580 0.88792009522936 0.03175989545123 15.999 > 3 52 O 0.53157384697580 0.88792009522936 0.53175989545123 15.999 > 3 53 O 0.11207990477064 0.64365375174645 0.03175989545123 15.999 > 5 54 O 0.11207990477064 0.64365375174645 0.53175989545123 15.999 > 5 55 O 0.31032041841311 0.86490718030914 0.13490677121544 15.999 > 7 56 O 0.31032041841311 0.86490718030914 0.63490677121544 15.999 > 7 57 O 0.13509281969086 0.44541323810398 0.13490677121544 15.999 > 9 58 O 0.13509281969086 0.44541323810398 0.63490677121544 15.999 > 9 59 O 0.55458676189602 0.68967958158689 0.13490677121544 15.999 > 11 60 O 0.55458676189602 0.68967958158689 0.63490677121544 15.999 > 11 61 O 0.84392973634656 0.81333531652971 0.05782661744647 15.999 > 13 62 O 0.84392973634656 0.81333531652971 0.55782661744647 15.999 > 13 63 O 0.69726108648351 0.17726306967989 0.10884004922020 15.999 > 15 64 O 0.69726108648351 0.17726306967989 0.60884004922020 15.999 > 15 65 O 0.48000198319638 0.30273891351649 0.10884004922020 15.999 > 17 66 O 0.48000198319638 0.30273891351649 0.60884004922020 15.999 > 17 67 O 0.82273693032011 0.51999801680362 0.10884004922020 15.999 > 19 68 O 0.82273693032011 0.51999801680362 0.60884004922020 15.999 > 19 69 O 0.96940558018316 0.15607026365344 0.05782661744647 15.999 > 21 70 O 0.96940558018316 0.15607026365344 0.55782661744647 15.999 > 21 71 O 0.18666468347029 0.03059441981684 0.05782661744647 15.999 > 23 72 O 0.18666468347029 0.03059441981684 0.55782661744647 15.999 > 23 73 In 0.78536116005978 0.74826946811279 0.17770200879332 114.818 > 73 74 In 0.78536116005978 0.74826946811279 0.67770200879332 114.818 > 73 75 In 0.25173053188721 0.03709169194699 0.17770200879332 114.818 > 75 76 In 0.25173053188721 0.03709169194699 0.67770200879332 114.818 > 75 77 In 0.96290830805301 0.21463883994022 0.17770200879332 114.818 > 77 78 In 0.96290830805301 0.21463883994022 0.67770200879332 114.818 > 77 79 In 0.21463883994022 0.25173053188721 0.32229799120668 114.818 > 79 80 In 0.21463883994022 0.25173053188721 0.82229799120668 114.818 > 79 81 In 0.74826946811279 0.96290830805301 0.32229799120668 114.818 > 81 82 In 0.74826946811279 0.96290830805301 0.82229799120668 114.818 > 81 83 In 0.03709169194699 0.78536116005978 0.32229799120668 114.818 > 83 84 In 0.03709169194699 0.78536116005978 0.82229799120668 114.818 > 83 85 In 0.45202782672645 0.08160280144613 0.34436867545999 114.818 > 73 86 In 0.45202782672645 0.08160280144613 0.84436867545999 114.818 > 73 87 In 0.91839719855388 0.37042502528033 0.34436867545999 114.818 > 75 88 In 0.91839719855388 0.37042502528033 0.84436867545999 114.818 > 75 89 In 0.62957497471968 0.54797217327355 0.34436867545999 114.818 > 77 90 In 0.62957497471968 0.54797217327355 0.84436867545999 114.818 > 77 91 In 0.88130550660688 0.58506386522054 0.48896465787334 114.818 > 79 92 In 0.88130550660688 0.58506386522054 0.98896465787334 114.818 > 79 93 In 0.41493613477946 0.29624164138634 0.48896465787334 114.818 > 81 94 In 0.41493613477946 0.29624164138634 0.98896465787334 114.818 > 81 95 In 0.70375835861366 0.11869449339312 0.48896465787334 114.818 > 83 96 In 0.70375835861366 0.11869449339312 0.98896465787334 114.818 > 83 97 In 0.11869449339312 0.41493613477946 0.01103534212666 114.818 > 73 98 In 0.11869449339312 0.41493613477946 0.51103534212666 114.818 > 73 99 In 0.58506386522054 0.70375835861366 0.01103534212666 114.818 > 75 100 In 0.58506386522054 0.70375835861366 0.51103534212666 114.818 > 75 101 In 0.29624164138634 0.88130550660688 0.01103534212666 114.818 > 77 102 In 0.29624164138634 0.88130550660688 0.51103534212666 114.818 > 77 103 In 0.54797217327355 0.91839719855388 0.15563132454001 114.818 > 79 104 In 0.54797217327355 0.91839719855388 0.65563132454001 114.818 > 79 105 In 0.08160280144613 0.62957497471968 0.15563132454001 114.818 > 81 106 In 0.08160280144613 0.62957497471968 0.65563132454001 114.818 > 81 107 In 0.37042502528033 0.45202782672645 0.15563132454001 114.818 > 83 108 In 0.37042502528033 0.45202782672645 0.65563132454001 114.818 > 83 109 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 109 110 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 109 111 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 109 112 Te 0.66666666666667 0.33333333333333 0.66666666666667 127.600 > 109 113 Te 0.33333333333333 0.66666666666667 0.33333333333333 127.600 > 109 114 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9449358 -0.0000006 0.0000000 0.0000006 4.9449358 0.0000000 0.0000000 0.0000000 4.9061016 -------------------------- Born effective charges -------------------------- 1 O -2.2845373 -0.1289670 0.0172428 -0.1806699 -2.0466942 -0.0956379 0.0377218 0.0048960 -2.0168258 2 O -2.2402317 0.2062498 0.0742035 0.1545469 -2.0909998 0.0627517 -0.0231010 0.0302200 -2.0168258 3 O -1.9720783 0.0002716 -0.0914463 -0.0514314 -2.3591533 0.0328862 -0.0146208 -0.0351161 -2.0168258 4 O -2.2845373 -0.1289670 0.0172428 -0.1806699 -2.0466942 -0.0956379 0.0377218 0.0048960 -2.0168258 5 O -2.2402317 0.2062498 0.0742035 0.1545469 -2.0909998 0.0627517 -0.0231010 0.0302200 -2.0168258 6 O -1.9720783 0.0002716 -0.0914463 -0.0514314 -2.3591533 0.0328862 -0.0146208 -0.0351161 -2.0168258 7 O -1.8519680 -0.3913759 0.1331557 -0.3459981 -2.3141786 0.4334631 0.2097807 0.5040632 -2.2110414 8 O -1.8793337 0.3617977 0.3088122 0.4071754 -2.2868130 -0.3320478 0.3316411 -0.4337070 -2.2110414 9 O -2.5179183 -0.0384884 -0.4419679 0.0068893 -1.6482283 -0.1014153 -0.5414219 -0.0703561 -2.2110414 10 O -1.8519680 -0.3913759 0.1331557 -0.3459981 -2.3141786 0.4334631 0.2097807 0.5040632 -2.2110414 11 O -1.8793337 0.3617977 0.3088122 0.4071754 -2.2868130 -0.3320478 0.3316411 -0.4337070 -2.2110414 12 O -2.5179183 -0.0384884 -0.4419679 0.0068893 -1.6482283 -0.1014153 -0.5414219 -0.0703561 -2.2110414 13 In 3.3267195 -0.2706300 0.0233712 -0.1975907 3.3608272 -0.1602462 0.1116802 0.0542965 3.4920684 14 In 3.1495547 0.0953046 0.1270916 0.1683439 3.5379920 0.1003632 -0.1028623 0.0695696 3.4920684 15 In 3.5550458 0.0657665 -0.1504629 0.1388058 3.1325009 0.0598830 -0.0088179 -0.1238662 3.4920684 16 In 3.3267195 -0.2706300 0.0233712 -0.1975907 3.3608272 -0.1602462 0.1116802 0.0542965 3.4920684 17 In 3.1495547 0.0953046 0.1270916 0.1683439 3.5379920 0.1003632 -0.1028623 0.0695696 3.4920684 18 In 3.5550458 0.0657665 -0.1504629 0.1388058 3.1325009 0.0598830 -0.0088179 -0.1238662 3.4920684 19 Te 5.4294946 0.2001423 -0.0000000 -0.2001423 5.4294946 -0.0000000 0.0000000 -0.0000000 4.4147933 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] 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: 0.67, Number of G-points: 299, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 90 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 2.716 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 5.059 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 7.599 ( 0.000 0.000 0.000) 0.000 7.599 ( 0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 7.991 ( 0.000 0.000 0.000) 0.000 7.991 ( 0.000 0.000 0.000) 0.000 9.687 ( 0.000 0.000 0.000) 0.000 9.687 ( 0.000 0.000 0.000) 0.000 9.737 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 12.020 ( 0.000 0.000 0.000) 0.000 12.020 ( 0.000 0.000 0.000) 0.000 12.684 ( 0.000 0.000 0.000) 0.000 12.944 ( 0.000 0.000 0.000) 0.000 13.292 ( 0.000 0.000 0.000) 0.000 13.293 ( 0.000 0.000 0.000) 0.000 13.293 ( 0.000 0.000 0.000) 0.000 14.483 ( 0.000 0.000 0.000) 0.000 14.846 ( 0.000 0.000 0.000) 0.000 14.846 ( 0.000 0.000 0.000) 0.000 16.060 ( 0.000 0.000 0.000) 0.000 16.618 ( 0.000 0.000 0.000) 0.000 16.618 ( 0.000 0.000 0.000) 0.000 17.296 ( 0.000 0.000 0.000) 0.000 17.296 ( 0.000 0.000 0.000) 0.000 18.159 ( 0.000 0.000 0.000) 0.000 18.408 ( 0.000 0.000 0.000) 0.000 18.951 ( 0.000 0.000 0.000) 0.000 18.951 ( 0.000 0.000 0.000) 0.000 19.630 ( 0.000 0.000 0.000) 0.000 19.630 ( 0.000 0.000 0.000) 0.000 20.984 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 27.969 8.251 11.532) 31.358 0.677 ( 21.881 -1.447 28.294) 35.798 1.166 ( 25.539 27.012 42.484) 56.451 2.735 ( 1.313 0.959 1.076) 1.950 2.759 ( 2.748 1.076 1.706) 3.409 2.987 ( -1.492 -0.602 -1.462) 2.174 3.276 ( -7.800 -5.336 0.896) 9.493 3.501 ( -3.496 1.198 -8.693) 9.446 3.553 ( 1.392 0.137 -1.685) 2.190 3.736 ( 7.147 2.850 -11.119) 13.521 4.123 ( -7.047 -5.319 -6.381) 10.893 4.287 ( 2.750 2.322 1.466) 3.886 4.669 ( -0.104 -0.258 1.552) 1.577 4.813 ( -3.816 -0.945 -9.559) 10.336 5.129 ( 10.022 7.267 -7.228) 14.335 5.497 ( -5.034 -4.820 6.202) 9.329 5.674 ( 5.783 -2.169 -14.823) 16.058 5.744 ( 6.783 -0.617 3.975) 7.886 6.011 ( -6.549 3.672 -0.485) 7.524 6.071 ( -1.814 -0.363 4.992) 5.323 6.264 ( 6.054 6.066 -1.631) 8.723 6.470 ( 0.419 -0.918 3.881) 4.010 7.477 ( -5.083 -6.570 -3.859) 9.159 7.574 ( -1.390 1.911 -3.323) 4.077 8.047 ( 0.464 5.164 3.199) 6.093 8.130 ( 4.156 -0.464 6.588) 7.803 8.226 ( 4.722 1.392 12.243) 13.196 9.683 ( -0.327 -2.004 1.001) 2.264 9.720 ( 1.118 1.179 2.749) 3.193 9.822 ( -2.489 -1.473 3.308) 4.394 10.270 ( -21.020 -12.543 23.619) 34.015 10.591 ( 1.894 -1.477 -3.991) 4.658 10.748 ( -14.922 -7.962 13.212) 21.462 11.339 ( -4.809 2.114 1.007) 5.349 11.966 ( -2.222 -8.344 -0.760) 8.668 12.008 ( -2.515 4.663 -1.856) 5.613 12.389 ( 18.740 9.492 -22.916) 31.087 12.727 ( -10.083 0.413 -9.202) 13.657 13.002 ( -19.344 -24.884 9.727) 32.985 13.298 ( 0.856 -3.403 1.508) 3.819 13.441 ( 5.726 -2.878 10.017) 11.892 13.630 ( -5.964 15.333 16.971) 23.637 14.500 ( -1.897 -1.742 5.026) 5.647 14.842 ( 3.030 -5.443 -0.367) 6.240 15.500 ( 19.025 14.800 -26.758) 36.013 16.262 ( -9.484 -3.495 11.099) 15.012 16.544 ( -1.825 -4.227 -4.924) 6.741 17.110 ( 7.821 3.836 -16.256) 18.443 17.390 ( 2.903 5.357 6.124) 8.638 17.438 ( 15.336 9.826 -5.296) 18.969 18.142 ( -3.517 -1.541 1.667) 4.186 18.658 ( -10.700 -6.403 12.307) 17.520 18.933 ( 5.961 -8.571 -3.930) 11.155 19.518 ( -14.846 7.523 -1.389) 16.701 19.621 ( -1.706 -0.241 0.549) 1.809 20.125 ( 18.734 5.296 -7.359) 20.812 20.981 ( -0.203 -0.124 -0.206) 0.315 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 25.506 7.344 12.807) 29.470 1.328 ( 20.843 -0.542 25.884) 33.237 2.192 ( 16.010 20.343 34.683) 43.279 2.771 ( 0.200 -0.657 -4.575) 4.627 2.813 ( 3.584 2.309 4.397) 6.125 3.000 ( 3.226 3.010 0.358) 4.426 3.130 ( -3.793 -4.616 -1.282) 6.110 3.347 ( -4.951 3.778 -7.003) 9.372 3.438 ( -5.676 -1.108 -10.951) 12.384 3.704 ( 3.762 2.084 -7.624) 8.753 3.895 ( -3.357 -7.293 -4.261) 9.089 4.382 ( 2.039 2.731 3.928) 5.200 4.599 ( -7.474 -2.427 -4.495) 9.053 4.713 ( 3.478 -1.411 -0.344) 3.769 5.215 ( 3.809 4.389 -1.947) 6.129 5.376 ( -10.846 -9.581 -12.226) 18.945 5.520 ( 0.915 1.152 2.515) 2.914 5.834 ( -0.372 -10.315 -0.282) 10.325 5.975 ( -0.792 6.379 0.005) 6.428 6.063 ( -3.690 -7.110 4.106) 9.001 6.338 ( -0.413 8.952 2.347) 9.264 6.653 ( 10.244 3.352 6.973) 12.838 7.321 ( -4.598 -4.835 -3.051) 7.337 7.506 ( -2.204 1.845 -4.734) 5.538 8.112 ( 0.101 1.943 1.517) 2.467 8.295 ( 0.478 6.059 10.690) 12.297 8.548 ( 14.026 -0.627 12.500) 18.798 9.685 ( 0.550 -3.048 2.243) 3.824 9.780 ( -0.106 2.288 1.099) 2.540 9.837 ( -2.859 -1.442 5.477) 6.345 10.169 ( -2.642 0.632 -8.526) 8.948 10.531 ( 1.337 -1.988 -5.014) 5.557 10.689 ( -10.146 -8.097 11.999) 17.677 11.320 ( -4.939 3.862 2.862) 6.892 11.830 ( -2.825 -11.533 -2.367) 12.108 11.970 ( -4.172 4.247 -2.330) 6.393 12.394 ( 13.842 5.956 -16.771) 22.546 12.442 ( -14.415 3.274 -9.083) 17.350 12.756 ( -9.074 -19.901 7.546) 23.137 13.295 ( -0.078 -4.824 1.546) 5.066 13.566 ( 0.675 -2.786 4.824) 5.612 13.909 ( 0.726 18.953 9.271) 21.112 14.529 ( -1.838 -5.488 5.544) 8.015 14.845 ( 5.740 -9.334 1.223) 11.026 15.469 ( 3.814 10.025 -13.574) 17.300 16.272 ( -4.475 4.354 2.383) 6.683 16.426 ( -0.091 -7.066 -1.646) 7.256 17.027 ( 1.681 -0.089 -7.226) 7.420 17.575 ( 6.096 4.268 5.470) 9.236 17.666 ( 9.481 9.078 3.613) 13.614 18.090 ( -6.921 -1.066 2.438) 7.415 18.626 ( 0.377 -1.504 -3.034) 3.407 18.864 ( 5.246 -13.847 -4.067) 15.355 19.391 ( -14.170 10.239 1.780) 17.573 19.600 ( -2.356 -0.367 0.869) 2.538 20.303 ( 11.181 2.799 -0.827) 11.555 20.972 ( -0.289 -0.203 -0.292) 0.459 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 21.023 5.770 14.464) 26.163 1.920 ( 18.769 0.526 21.467) 28.520 2.563 ( -2.840 0.188 -7.800) 8.303 2.727 ( -1.535 1.455 7.984) 8.260 2.777 ( -9.383 -2.211 -7.629) 12.294 3.026 ( -5.033 2.122 -5.101) 7.474 3.183 ( -2.590 -1.666 -5.237) 6.075 3.269 ( -0.595 3.432 -1.923) 3.979 3.421 ( 12.773 7.772 16.920) 22.580 3.604 ( 1.285 3.548 -1.267) 3.981 3.914 ( 7.424 -1.798 2.383) 8.002 4.406 ( -5.522 2.221 -4.996) 7.771 4.509 ( 0.364 1.233 4.985) 5.148 4.762 ( 8.438 -3.463 -4.560) 10.197 4.892 ( -14.213 -7.473 -13.153) 20.757 5.309 ( -0.353 0.181 3.652) 3.673 5.544 ( -3.379 -2.688 -4.379) 6.150 5.708 ( -6.182 -5.234 -3.271) 8.735 5.799 ( -2.776 -2.995 -0.309) 4.095 6.203 ( 4.477 1.903 4.884) 6.894 6.445 ( 0.338 4.136 3.812) 5.635 6.887 ( 9.052 2.159 4.503) 10.338 7.192 ( -5.738 -1.764 -2.443) 6.481 7.427 ( -1.845 0.648 -3.564) 4.066 8.135 ( -0.118 0.408 0.802) 0.908 8.482 ( 0.127 5.832 7.497) 9.499 8.892 ( 12.234 -3.479 13.109) 18.265 9.718 ( -0.662 -3.559 3.450) 5.001 9.749 ( -4.858 5.256 -6.191) 9.463 9.816 ( -0.134 0.449 -1.606) 1.673 10.045 ( 0.891 -0.387 -7.198) 7.263 10.514 ( 1.606 1.946 1.330) 2.853 10.683 ( -3.396 -6.598 7.212) 10.348 11.347 ( -2.082 3.651 3.010) 5.170 11.670 ( -2.263 -8.826 -3.848) 9.891 11.904 ( -4.189 1.029 -1.506) 4.569 12.149 ( -7.751 0.755 -10.251) 12.874 12.421 ( 4.981 7.177 -6.560) 10.925 12.655 ( -2.162 -12.375 5.121) 13.566 13.269 ( -1.201 -3.339 0.883) 3.657 13.581 ( -0.932 -1.010 0.877) 1.630 14.174 ( 0.244 18.096 7.088) 19.436 14.497 ( -0.140 -11.406 0.750) 11.431 14.895 ( 6.016 -8.881 4.290) 11.553 15.382 ( -2.531 8.011 -9.308) 12.539 16.239 ( -3.069 3.524 -2.904) 5.502 16.437 ( 2.289 -3.650 4.992) 6.593 16.948 ( 0.178 -0.721 -5.291) 5.343 17.748 ( 7.932 1.263 2.873) 8.530 17.898 ( 3.717 6.981 6.165) 10.028 18.019 ( -8.231 0.889 3.040) 8.820 18.548 ( 4.389 -3.052 -10.282) 11.588 18.781 ( 0.099 -8.377 0.511) 8.393 19.344 ( -7.030 6.499 1.647) 9.714 19.582 ( -1.605 -0.278 0.683) 1.766 20.425 ( 5.346 1.468 0.180) 5.547 20.964 ( -0.206 -0.166 -0.206) 0.336 ======================= Grid point 4 (5/90) ======================= 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -0.000 -0.000 -0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.383 ( -0.000 0.000 -0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.852 ( -0.000 0.000 -0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.493 ( 0.000 0.000 0.000) 0.000 3.958 ( -0.000 0.000 -0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 -0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 -0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 -0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.690 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 -0.000 -0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 7.030 ( -0.000 0.000 0.000) 0.000 7.086 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 8.141 ( 0.000 0.000 0.000) 0.000 8.561 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 9.772 ( 0.000 0.000 0.000) 0.000 9.818 ( 0.000 0.000 0.000) 0.000 9.979 ( 0.000 0.000 0.000) 0.000 10.572 ( 0.000 0.000 0.000) 0.000 10.684 ( 0.000 0.000 0.000) 0.000 11.376 ( 0.000 0.000 0.000) 0.000 11.578 ( 0.000 0.000 0.000) 0.000 11.863 ( 0.000 0.000 0.000) 0.000 12.022 ( 0.000 0.000 0.000) 0.000 12.441 ( 0.000 0.000 0.000) 0.000 12.631 ( 0.000 0.000 0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 13.574 ( 0.000 0.000 0.000) 0.000 14.375 ( 0.000 -0.000 -0.000) 0.000 14.376 ( -0.000 0.000 0.000) 0.000 14.944 ( 0.000 0.000 -0.000) 0.000 15.317 ( 0.000 0.000 0.000) 0.000 16.208 ( 0.000 0.000 0.000) 0.000 16.487 ( 0.000 -0.000 0.000) 0.000 16.901 ( 0.000 0.000 0.000) 0.000 17.859 ( -0.000 0.000 -0.000) 0.000 17.918 ( 0.000 0.000 0.000) 0.000 18.052 ( 0.000 -0.000 0.000) 0.000 18.470 ( 0.000 0.000 0.000) 0.000 18.756 ( 0.000 0.000 0.000) 0.000 19.335 ( 0.000 0.000 0.000) 0.000 19.574 ( 0.000 0.000 0.000) 0.000 20.468 ( 0.000 0.000 0.000) 0.000 20.960 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/90) ======================= q-point: ( 0.12 0.12 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -5.649 4.790 27.162) 28.153 1.000 ( -3.439 5.964 32.245) 32.972 1.890 ( 4.450 30.773 48.066) 57.246 2.749 ( -0.897 -0.594 1.652) 1.972 2.799 ( 0.507 2.933 3.182) 4.357 2.939 ( 0.494 -0.646 -5.252) 5.315 3.244 ( -3.519 -10.546 -3.840) 11.763 3.397 ( 7.916 -0.209 -8.497) 11.615 3.506 ( -0.055 -3.830 -5.927) 7.057 3.579 ( -3.400 7.961 -8.243) 11.954 4.105 ( -2.833 -1.093 -5.360) 6.161 4.227 ( 2.215 1.177 -1.416) 2.881 4.669 ( -1.246 -6.976 -3.907) 8.092 4.736 ( 2.284 1.231 1.323) 2.913 5.050 ( -0.641 11.314 -5.233) 12.482 5.486 ( -1.319 -9.591 -2.409) 9.977 5.605 ( -3.407 -0.082 0.879) 3.519 5.801 ( 3.783 2.716 2.199) 5.150 5.987 ( -3.636 -8.832 -2.260) 9.815 6.166 ( -0.221 1.421 6.816) 6.966 6.288 ( 5.239 9.167 1.887) 10.725 6.539 ( -1.580 1.094 6.658) 6.929 7.399 ( -2.869 -6.250 -6.868) 9.719 7.489 ( 3.159 -0.973 -5.225) 6.182 8.126 ( 0.006 -2.175 8.487) 8.761 8.266 ( 4.541 3.937 8.827) 10.679 8.378 ( -4.830 8.756 12.695) 16.160 9.690 ( -0.731 -2.905 1.288) 3.261 9.760 ( 0.452 2.691 2.649) 3.803 9.892 ( -0.706 -2.203 6.371) 6.778 10.307 ( 3.065 -7.345 -15.130) 17.096 10.451 ( -3.094 -2.697 -4.740) 6.271 10.938 ( -2.648 -30.059 12.702) 32.740 11.366 ( 6.506 -1.615 2.077) 7.018 11.909 ( 1.099 -6.323 -3.504) 7.312 11.987 ( -4.217 0.735 -4.069) 5.906 12.153 ( -0.821 24.339 -18.146) 30.370 12.579 ( 4.214 -2.688 -12.760) 13.704 13.158 ( -9.157 -18.722 3.573) 21.145 13.330 ( -5.635 -2.978 3.523) 7.283 13.574 ( -1.252 4.926 9.280) 10.581 13.765 ( 15.194 -16.724 13.786) 26.469 14.593 ( -0.903 -3.285 7.817) 8.527 14.829 ( -11.399 0.471 -2.227) 11.624 15.216 ( 7.945 25.218 -14.233) 30.028 16.294 ( 2.622 -12.436 3.845) 13.278 16.603 ( -6.217 3.170 -2.712) 7.487 16.865 ( 4.279 15.742 -12.870) 20.779 17.428 ( -1.925 -2.769 8.631) 9.266 17.535 ( 2.534 7.097 10.943) 13.287 18.161 ( 0.715 -6.323 2.150) 6.717 18.682 ( 0.909 -3.354 -10.300) 10.871 18.829 ( -6.840 1.719 -2.371) 7.440 19.553 ( 5.645 -3.587 -2.750) 7.232 19.835 ( 17.393 2.781 8.420) 19.523 19.933 ( -17.667 10.872 -1.772) 20.820 20.979 ( -0.013 -0.492 -0.107) 0.503 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 8.269 3.427 25.289) 26.827 1.524 ( 8.558 3.512 29.719) 31.126 2.640 ( -3.287 4.310 4.269) 6.900 2.783 ( 0.044 5.402 8.614) 10.168 2.877 ( -1.660 0.531 -0.296) 1.768 2.967 ( 9.876 12.387 19.002) 24.740 3.125 ( 1.061 -0.051 1.421) 1.775 3.270 ( -2.380 -3.580 -16.039) 16.605 3.351 ( -0.726 1.570 -6.429) 6.658 3.618 ( 6.394 0.534 3.010) 7.088 3.891 ( -12.142 -0.463 -4.989) 13.135 4.355 ( 10.706 3.076 0.971) 11.181 4.541 ( -0.575 -9.333 -3.306) 9.918 4.717 ( -6.221 0.557 -1.508) 6.426 5.060 ( 4.390 3.810 -10.331) 11.854 5.334 ( -5.056 -6.225 -2.689) 8.459 5.584 ( -1.628 1.695 0.831) 2.493 5.711 ( -1.772 -13.508 -7.112) 15.369 5.998 ( 3.900 5.845 2.670) 7.516 6.189 ( -9.137 -3.525 3.718) 10.475 6.389 ( 3.630 0.092 1.542) 3.945 6.705 ( 3.623 7.173 8.695) 11.840 7.250 ( -0.052 -5.794 -4.996) 7.650 7.437 ( 1.454 -1.047 -5.464) 5.751 8.184 ( -3.217 -2.154 6.428) 7.504 8.536 ( 6.036 1.289 10.767) 12.410 8.589 ( -0.108 8.408 15.493) 17.628 9.681 ( 1.187 -3.776 1.491) 4.229 9.803 ( 0.125 1.497 -1.364) 2.029 9.912 ( -4.846 -4.216 1.051) 6.509 10.060 ( -1.777 -0.547 -8.602) 8.801 10.397 ( 5.484 -1.484 -3.556) 6.702 10.827 ( -5.280 -14.292 5.976) 16.366 11.453 ( -0.376 -0.168 5.486) 5.502 11.779 ( -4.925 -4.617 -6.271) 9.214 11.883 ( 2.937 -2.335 -6.954) 7.901 12.070 ( 4.458 10.216 -18.048) 21.212 12.451 ( -0.376 9.102 -11.869) 14.962 12.890 ( -14.577 -24.375 10.058) 30.130 13.298 ( -1.980 -3.420 2.116) 4.483 13.658 ( -4.368 -1.665 6.844) 8.288 14.061 ( 11.631 2.412 8.908) 14.848 14.558 ( -6.647 -4.466 -1.719) 8.191 14.757 ( 2.117 -3.448 3.825) 5.568 15.314 ( 7.593 10.854 -9.969) 16.578 16.348 ( 3.294 -4.171 6.887) 8.699 16.447 ( -10.466 5.418 -3.956) 12.432 16.886 ( 5.495 4.784 -8.999) 11.579 17.536 ( 4.595 -6.032 8.012) 11.031 17.802 ( 3.551 9.758 11.129) 15.221 18.118 ( 0.144 -9.775 -0.378) 9.783 18.518 ( -1.834 1.151 -7.465) 7.773 18.779 ( -0.909 5.343 -4.048) 6.765 19.518 ( 0.080 1.204 -5.461) 5.593 19.773 ( -15.682 2.795 3.813) 16.379 20.167 ( 13.901 3.093 4.542) 14.948 20.971 ( -0.229 -0.589 -0.139) 0.647 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 15.102 4.148 21.689) 26.752 2.048 ( 9.899 1.828 24.088) 26.107 2.510 ( -6.109 0.275 -8.840) 10.749 2.706 ( -1.664 -7.532 -6.919) 10.362 2.873 ( -5.753 0.827 1.673) 6.048 2.936 ( -2.534 -2.347 -12.981) 13.433 3.165 ( 0.230 -1.216 0.884) 1.521 3.258 ( -2.487 3.045 -4.537) 6.003 3.565 ( 0.872 3.001 8.543) 9.097 3.765 ( 0.368 4.765 9.410) 10.554 3.916 ( 8.701 13.426 17.020) 23.359 4.420 ( -1.137 -2.356 -1.736) 3.140 4.534 ( 1.488 -0.132 -0.892) 1.740 4.570 ( -0.286 -2.914 -6.724) 7.333 4.852 ( -6.697 -4.803 -6.336) 10.395 5.267 ( 4.438 3.362 -8.088) 9.819 5.535 ( -0.271 -14.677 0.002) 14.679 5.582 ( -2.852 0.418 -2.545) 3.845 5.943 ( -9.484 5.498 -2.911) 11.343 6.200 ( 3.255 -2.890 3.733) 5.735 6.444 ( 3.686 -2.120 -0.083) 4.253 6.899 ( 3.425 6.700 3.975) 8.510 7.156 ( 0.468 -4.101 -4.284) 5.949 7.375 ( 1.063 -3.990 -2.220) 4.688 8.199 ( -4.078 -2.775 5.524) 7.406 8.655 ( -5.944 3.288 4.976) 8.420 8.913 ( 10.082 -1.730 13.688) 17.088 9.675 ( 1.019 4.223 -12.276) 13.022 9.752 ( 0.277 -3.072 0.455) 3.118 9.775 ( -2.700 0.364 -1.429) 3.076 10.037 ( -2.834 -3.645 5.639) 7.288 10.459 ( 7.177 -4.044 0.830) 8.279 10.760 ( -3.509 -2.278 1.591) 4.476 11.503 ( -7.140 5.863 4.209) 10.152 11.601 ( -2.637 -6.292 -3.274) 7.567 11.797 ( 5.266 -5.286 -9.370) 11.978 11.943 ( 5.119 6.049 -15.898) 17.763 12.414 ( 0.922 10.551 -4.717) 11.594 12.725 ( -6.985 -17.095 9.423) 20.732 13.274 ( -1.230 -3.984 1.388) 4.395 13.649 ( -5.858 -2.450 4.652) 7.871 14.289 ( 7.118 -6.027 1.608) 9.465 14.420 ( -3.585 6.527 -3.066) 8.053 14.850 ( 4.900 -6.488 7.463) 11.036 15.304 ( 2.690 5.236 -8.992) 10.748 16.314 ( -7.726 5.281 -2.098) 9.590 16.483 ( 1.010 0.536 6.668) 6.765 16.852 ( 3.564 -0.524 -4.607) 5.848 17.648 ( 7.298 -7.991 3.874) 11.495 18.009 ( -0.297 -11.084 -0.119) 11.088 18.033 ( 0.903 8.217 2.123) 8.535 18.481 ( -0.799 5.386 2.404) 5.952 18.758 ( -0.185 8.063 -5.194) 9.593 19.435 ( -2.839 5.629 -7.410) 9.729 19.662 ( -9.226 -5.004 4.979) 11.617 20.376 ( 6.788 2.107 3.230) 7.807 20.962 ( -0.122 -0.516 -0.035) 0.531 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -7.975 1.059 -2.325) 8.374 2.271 ( -1.784 -2.163 -5.255) 5.956 2.420 ( 8.720 -5.007 5.347) 11.389 2.525 ( -2.604 0.130 13.632) 13.879 2.733 ( 0.659 -1.466 -9.187) 9.327 2.888 ( 0.838 0.134 0.746) 1.130 3.151 ( -0.389 0.237 1.792) 1.849 3.257 ( 2.172 0.395 0.552) 2.275 3.556 ( -7.081 2.310 1.512) 7.600 3.956 ( 0.764 -0.432 4.968) 5.045 4.069 ( -14.662 1.767 -10.664) 18.215 4.306 ( -1.399 -6.389 1.729) 6.765 4.512 ( 1.433 5.331 0.186) 5.524 4.575 ( 7.275 -1.850 4.835) 8.929 4.931 ( 2.360 2.498 9.149) 9.773 5.195 ( 5.139 3.105 -8.399) 10.324 5.444 ( -3.655 4.577 -0.005) 5.857 5.533 ( 5.152 -9.019 -0.194) 10.389 5.903 ( -4.117 6.527 0.634) 7.743 6.218 ( 2.566 -4.040 -2.732) 5.511 6.440 ( 1.029 -2.508 -3.057) 4.086 6.999 ( 4.907 0.792 -3.953) 6.351 7.079 ( -2.085 1.326 -0.835) 2.608 7.362 ( 2.620 -6.585 2.868) 7.645 8.190 ( -4.230 -3.145 4.499) 6.930 8.577 ( -6.612 -2.203 -3.707) 7.894 9.100 ( -0.815 2.033 -0.564) 2.262 9.588 ( 2.137 3.112 -0.217) 3.781 9.707 ( 2.293 -0.214 -4.491) 5.048 9.822 ( 0.231 -3.691 3.807) 5.307 10.075 ( -1.961 -4.043 10.080) 11.036 10.475 ( 3.604 -5.986 -2.765) 7.514 10.710 ( -3.117 4.247 -5.723) 7.779 11.421 ( -6.868 3.560 -4.562) 8.981 11.609 ( 2.807 -3.071 7.256) 8.364 11.733 ( 7.690 -1.376 -7.083) 10.544 11.898 ( 7.025 7.061 -9.129) 13.511 12.477 ( 1.012 -2.737 6.202) 6.854 12.701 ( -1.959 1.995 3.879) 4.782 13.249 ( -0.437 -3.122 0.771) 3.245 13.612 ( -3.800 -4.253 3.131) 6.506 14.169 ( 0.304 -12.268 -6.820) 14.039 14.496 ( 0.134 10.024 -1.017) 10.077 14.967 ( 2.283 0.374 3.415) 4.125 15.266 ( 4.126 -1.393 -2.060) 4.817 16.260 ( -4.243 3.345 0.764) 5.457 16.506 ( -2.972 1.452 -2.183) 3.963 16.908 ( 3.588 -0.107 5.951) 6.949 17.708 ( 9.678 -8.284 -2.735) 13.029 17.877 ( -0.635 -10.494 -3.124) 10.968 18.053 ( -5.911 2.857 -0.944) 6.632 18.628 ( 0.242 3.939 8.676) 9.532 18.775 ( 0.197 15.930 -2.461) 16.120 19.327 ( -3.483 4.715 -8.027) 9.939 19.589 ( -3.548 -8.470 4.080) 10.048 20.473 ( 1.210 0.625 1.852) 2.299 20.960 ( 0.117 -0.318 0.214) 0.401 ======================= Grid point 14 (10/90) ======================= q-point: (-0.38 0.12 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -20.475 1.427 -13.621) 24.634 1.838 ( -16.451 -14.989 -15.705) 27.239 2.547 ( -7.274 -1.653 -7.960) 10.909 2.747 ( 3.751 0.404 8.260) 9.080 2.799 ( 5.967 4.828 11.710) 14.001 2.947 ( 7.012 -2.710 0.982) 7.581 3.194 ( -1.699 -1.952 0.597) 2.656 3.311 ( 1.963 0.485 2.061) 2.887 3.404 ( -13.621 -1.370 -2.281) 13.878 3.723 ( -8.502 0.744 3.175) 9.105 3.998 ( -4.495 1.267 2.045) 5.098 4.360 ( 8.241 -2.716 -0.443) 8.688 4.400 ( -0.753 -2.079 -5.292) 5.736 4.863 ( 0.569 -2.355 -1.756) 2.992 4.976 ( 9.046 6.467 13.568) 17.543 5.217 ( 1.644 4.370 -8.573) 9.762 5.521 ( 6.254 -8.448 1.317) 10.593 5.666 ( 8.627 10.020 7.400) 15.152 5.919 ( -2.919 9.580 1.591) 10.140 6.145 ( -0.992 -4.291 -4.629) 6.389 6.346 ( -1.592 -5.835 -4.405) 7.482 6.890 ( -3.724 -5.214 -6.324) 9.003 7.154 ( 4.915 6.654 0.471) 8.286 7.414 ( 4.251 -6.653 4.657) 9.166 8.164 ( -4.054 -3.903 3.411) 6.581 8.388 ( -5.936 -2.540 -7.255) 9.713 8.927 ( -13.136 3.866 -10.293) 17.130 9.687 ( 1.485 1.750 -2.853) 3.662 9.716 ( 4.573 -1.741 4.748) 6.819 9.795 ( -0.620 -4.594 -1.641) 4.918 10.182 ( -0.732 -5.836 12.330) 13.661 10.467 ( 3.262 0.822 -1.806) 3.818 10.578 ( -0.748 3.208 -10.502) 11.006 11.292 ( -2.640 -0.670 -5.436) 6.080 11.745 ( 6.412 -3.531 2.061) 7.604 11.798 ( 6.406 8.249 0.721) 10.469 11.989 ( 14.554 3.732 -4.291) 15.626 12.559 ( -0.685 -8.881 12.864) 15.647 12.790 ( -4.147 15.630 3.479) 16.540 13.242 ( 2.027 -0.037 -1.688) 2.638 13.568 ( 0.665 -10.000 0.850) 10.058 13.977 ( -4.117 -8.013 -5.712) 10.667 14.505 ( 0.117 4.257 -5.288) 6.790 14.965 ( -2.862 6.695 -5.111) 8.896 15.383 ( 8.244 -5.467 8.793) 13.235 16.246 ( -2.118 -1.916 0.547) 2.908 16.449 ( -1.664 5.707 -2.287) 6.369 17.047 ( -0.105 1.781 8.196) 8.388 17.635 ( 0.915 -9.869 -8.165) 12.842 17.832 ( 8.724 -7.242 -0.780) 11.365 17.950 ( -9.181 -0.508 0.858) 9.235 18.674 ( -1.052 4.171 -2.589) 5.020 18.990 ( -1.249 20.332 9.763) 22.589 19.194 ( -0.701 -1.539 -8.325) 8.495 19.555 ( 0.266 -8.361 3.408) 9.033 20.474 ( -3.086 -0.984 0.465) 3.272 20.966 ( 0.258 -0.130 0.468) 0.550 ======================= Grid point 15 (11/90) ======================= q-point: (-0.25 0.12 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -18.555 -18.446 -19.210) 32.459 1.350 ( -26.969 2.790 -11.399) 29.411 2.129 ( -35.275 -2.902 -10.016) 36.784 2.829 ( -3.725 1.625 1.306) 4.269 2.844 ( -5.156 -2.459 -0.905) 5.784 2.974 ( 3.181 -2.400 -0.000) 3.984 3.102 ( -0.219 1.694 -1.026) 1.993 3.400 ( 3.861 1.280 6.602) 7.754 3.476 ( 5.092 -2.062 7.803) 9.542 3.857 ( 3.815 3.398 10.480) 11.659 3.999 ( -3.589 3.683 4.389) 6.761 4.283 ( 2.143 -3.903 -5.508) 7.083 4.519 ( 11.180 1.487 0.665) 11.298 4.758 ( -3.744 -2.338 -2.252) 4.955 5.128 ( 4.157 3.020 -9.444) 10.751 5.376 ( 11.100 4.316 4.837) 12.854 5.590 ( 7.030 -5.113 10.838) 13.894 5.806 ( 5.205 -1.195 -2.002) 5.704 5.964 ( -6.191 2.365 -6.840) 9.524 6.094 ( -2.092 10.207 0.369) 10.426 6.266 ( 2.412 -6.127 4.926) 8.223 6.682 ( -9.780 -4.912 -4.406) 11.798 7.286 ( 7.718 5.800 -0.997) 9.706 7.484 ( 4.367 -5.787 3.639) 8.112 8.109 ( -4.456 -6.744 2.361) 8.420 8.228 ( -5.498 4.132 -4.760) 8.364 8.589 ( -16.452 -0.670 -10.560) 19.562 9.670 ( 1.736 2.602 -7.057) 7.719 9.713 ( -1.031 -4.643 0.193) 4.760 9.780 ( 0.324 -0.108 1.621) 1.656 10.195 ( -7.237 -0.495 -8.690) 11.319 10.439 ( 8.022 -4.856 2.448) 9.692 10.622 ( 3.501 3.888 2.154) 5.658 11.224 ( 2.553 0.304 -2.993) 3.946 11.815 ( 9.388 -7.587 -0.356) 12.076 11.950 ( 1.252 12.301 1.342) 12.437 12.198 ( 19.520 0.172 -1.063) 19.550 12.703 ( 2.192 0.225 10.704) 10.928 12.887 ( -10.150 12.224 7.884) 17.737 13.242 ( 4.495 4.606 -7.153) 9.622 13.473 ( 3.746 -20.456 -3.295) 21.056 13.796 ( -11.638 0.874 -0.767) 11.696 14.446 ( 1.584 0.982 -6.142) 6.418 14.902 ( -1.548 3.142 -4.720) 5.878 15.586 ( 6.485 -1.980 9.794) 11.912 16.177 ( -1.492 -3.872 -2.776) 4.992 16.509 ( 1.117 8.076 2.056) 8.408 17.149 ( -0.636 1.075 5.925) 6.055 17.438 ( -2.539 -6.714 -7.308) 10.244 17.810 ( -9.521 -7.057 5.968) 13.269 17.953 ( 8.972 -0.355 -0.028) 8.979 18.623 ( -2.785 6.084 -7.202) 9.831 19.027 ( -1.988 -1.200 -7.724) 8.066 19.299 ( 3.754 12.252 10.144) 16.344 19.567 ( 1.440 -5.812 4.835) 7.696 20.395 ( -6.001 -2.398 -1.003) 6.539 20.976 ( 0.234 -0.038 0.497) 0.551 ======================= Grid point 16 (12/90) ======================= q-point: (-0.12 0.12 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -22.729 -15.209 -6.252) 28.053 0.859 ( -31.172 14.236 -11.148) 36.036 1.476 ( -52.420 -2.357 9.085) 53.254 2.758 ( -3.144 -1.424 -0.109) 3.453 2.785 ( -4.719 1.591 -0.117) 4.982 3.000 ( 0.425 -0.136 -0.226) 0.500 3.163 ( 7.977 0.067 0.203) 7.980 3.506 ( 5.453 0.163 -1.142) 5.573 3.579 ( -0.062 -0.369 2.841) 2.866 3.931 ( -7.827 0.200 -0.604) 7.853 4.111 ( 8.655 -0.328 -1.198) 8.743 4.246 ( 0.835 0.283 1.164) 1.460 4.648 ( 3.706 -0.280 -1.170) 3.897 4.761 ( 10.522 -0.161 0.995) 10.570 5.171 ( 9.629 1.668 1.569) 9.898 5.419 ( -3.541 0.056 -2.716) 4.463 5.757 ( 0.498 -5.521 -2.839) 6.229 5.815 ( 2.321 2.279 -4.450) 5.512 5.964 ( 11.726 1.169 6.150) 13.293 6.041 ( -3.257 0.024 -2.229) 3.947 6.387 ( -3.653 3.834 5.550) 7.671 6.484 ( -7.751 -2.961 -1.215) 8.386 7.392 ( 9.415 0.253 -3.444) 10.029 7.547 ( 3.563 -0.632 1.983) 4.126 8.045 ( -4.337 -3.576 5.159) 7.630 8.158 ( -7.786 8.294 -0.424) 11.384 8.245 ( -14.767 -4.406 -3.990) 15.919 9.591 ( 1.960 -0.138 -3.987) 4.445 9.709 ( -1.730 0.011 2.272) 2.856 9.806 ( 0.729 -0.005 0.366) 0.816 9.935 ( -9.183 0.112 -1.671) 9.334 10.559 ( 4.408 -0.300 1.348) 4.619 10.684 ( 2.634 0.018 -0.715) 2.730 11.282 ( 5.192 0.936 1.537) 5.495 11.874 ( 9.128 -7.721 0.239) 11.958 12.038 ( -0.495 7.072 -0.736) 7.127 12.482 ( 21.225 1.993 3.113) 21.544 12.800 ( -4.394 0.537 -5.101) 6.754 12.899 ( -1.370 0.987 -2.759) 3.235 13.264 ( 2.770 -6.962 1.640) 7.671 13.293 ( 0.121 -1.470 -2.441) 2.852 13.673 ( -16.370 5.265 6.409) 18.351 14.430 ( 3.438 -0.051 -0.962) 3.571 14.844 ( 0.258 -0.426 -3.560) 3.595 15.770 ( 6.096 -0.044 1.604) 6.304 16.098 ( -2.629 0.119 0.396) 2.661 16.590 ( 1.275 1.877 -0.939) 2.456 17.177 ( 4.703 -11.195 -0.511) 12.153 17.360 ( -3.683 12.418 -0.250) 12.955 17.736 ( -9.488 -3.814 5.238) 11.489 18.068 ( 6.829 0.149 0.663) 6.863 18.490 ( -5.487 1.219 -4.025) 6.913 18.917 ( 2.043 -0.288 -6.111) 6.450 19.517 ( 6.599 -4.214 4.236) 8.902 19.656 ( -1.617 4.174 6.887) 8.214 20.266 ( -6.222 -0.314 -3.546) 7.169 20.982 ( 0.144 -0.001 -0.006) 0.145 ======================= Grid point 18 (13/90) ======================= q-point: ( 0.12 0.25 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -10.783 12.157 21.992) 27.345 1.602 ( -13.460 6.856 27.355) 31.248 2.614 ( 4.458 7.739 16.506) 18.768 2.738 ( 1.410 0.028 2.762) 3.101 2.862 ( -1.953 5.208 10.083) 11.516 2.973 ( -4.519 2.815 3.372) 6.302 3.180 ( -1.248 1.554 -3.022) 3.620 3.183 ( 3.535 -3.761 0.189) 5.165 3.286 ( 1.553 -4.127 -13.287) 14.000 3.594 ( -1.225 -1.455 -4.101) 4.520 4.001 ( 8.647 5.826 -0.545) 10.441 4.307 ( -11.521 -0.677 -1.106) 11.593 4.508 ( 2.987 -9.381 -5.319) 11.190 4.743 ( 1.702 2.803 0.421) 3.307 5.086 ( -3.709 4.900 -8.595) 10.566 5.399 ( 4.712 -5.470 -4.363) 8.435 5.520 ( 5.010 -4.309 -0.076) 6.608 5.753 ( -7.401 -3.282 -5.483) 9.778 6.022 ( 4.277 3.457 -3.946) 6.769 6.221 ( 6.112 -1.023 4.383) 7.591 6.296 ( -3.397 -3.195 8.233) 9.462 6.731 ( -4.410 6.986 8.034) 11.524 7.282 ( -0.714 -3.991 -7.563) 8.581 7.378 ( 0.654 -4.462 -3.345) 5.614 8.239 ( 4.192 -2.209 11.742) 12.662 8.348 ( -1.733 -0.352 7.110) 7.326 8.754 ( -6.830 12.845 14.636) 20.636 9.677 ( -1.232 -4.494 -2.963) 5.522 9.801 ( 0.486 2.520 1.169) 2.820 9.941 ( 8.997 -4.439 -2.697) 10.389 10.015 ( -2.143 -4.119 -0.490) 4.669 10.411 ( -5.027 1.114 -7.801) 9.346 10.883 ( 3.409 -15.409 7.301) 17.388 11.301 ( 3.587 0.504 0.233) 3.629 11.839 ( -3.784 -7.837 -2.694) 9.110 11.888 ( 5.291 -2.266 -8.129) 9.960 12.116 ( -6.474 13.558 -17.155) 22.804 12.340 ( 5.169 -0.165 -7.333) 8.974 13.079 ( 8.106 -9.056 3.777) 12.727 13.415 ( 1.685 2.107 3.159) 4.154 13.616 ( 7.837 -14.549 6.731) 17.843 13.802 ( -8.359 1.040 9.158) 12.443 14.665 ( 1.994 -2.046 6.100) 6.736 14.980 ( -9.884 1.428 1.239) 10.063 15.104 ( -0.329 7.902 -15.140) 17.081 16.255 ( 2.522 -2.531 3.864) 5.263 16.580 ( 6.622 4.662 -0.324) 8.105 16.840 ( -7.710 3.113 -8.694) 12.030 17.574 ( -5.900 -3.929 7.740) 10.495 17.756 ( -1.483 8.182 12.416) 14.943 18.086 ( 1.785 -12.807 0.782) 12.954 18.547 ( 0.019 3.846 -9.493) 10.242 18.870 ( -3.929 11.923 -9.654) 15.837 19.383 ( 8.141 -6.749 0.100) 10.576 19.767 ( 11.434 0.393 8.464) 14.231 20.208 ( -12.674 5.742 0.542) 13.925 20.971 ( 0.208 -0.550 -0.147) 0.606 ======================= Grid point 19 (14/90) ======================= q-point: ( 0.25 0.25 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -5.410 5.822 24.269) 25.537 1.937 ( -2.616 6.810 27.551) 28.500 2.533 ( 2.515 -5.685 -12.242) 13.730 2.769 ( -2.344 -4.283 -0.961) 4.976 2.937 ( -0.428 -0.305 -6.236) 6.258 3.058 ( -4.691 -4.512 -6.611) 9.278 3.087 ( 5.544 1.749 -0.584) 5.843 3.250 ( 5.872 0.911 2.541) 6.463 3.480 ( -0.776 2.400 9.655) 9.979 3.656 ( 6.051 17.631 25.779) 31.812 4.052 ( -14.611 3.087 -2.307) 15.110 4.210 ( 12.100 0.968 -0.305) 12.142 4.421 ( 1.266 -7.297 -2.758) 7.903 4.773 ( -0.846 1.717 -1.661) 2.534 4.931 ( -3.546 -2.763 -8.252) 9.397 5.278 ( -2.579 -1.732 -10.079) 10.547 5.483 ( 1.338 -9.861 -5.267) 11.260 5.635 ( -0.517 1.286 -0.528) 1.483 6.008 ( 2.127 1.874 -3.788) 4.732 6.279 ( -2.303 -3.173 0.583) 3.964 6.356 ( 1.223 -2.034 4.042) 4.687 6.862 ( -0.682 7.503 6.665) 10.059 7.125 ( -0.461 -8.607 -4.418) 9.686 7.334 ( 1.873 -2.156 -3.492) 4.511 8.331 ( -5.604 -4.576 9.179) 11.687 8.570 ( 10.834 -0.649 12.791) 16.775 8.902 ( -7.330 6.053 7.103) 11.867 9.572 ( 3.515 -2.062 -7.527) 8.559 9.774 ( -1.627 0.338 -3.233) 3.635 9.921 ( -2.655 -1.187 -0.320) 2.926 10.081 ( -0.263 -5.258 9.126) 10.536 10.286 ( 2.021 0.160 -4.649) 5.072 10.835 ( -2.190 -8.431 1.649) 8.866 11.429 ( 10.258 3.256 0.491) 10.774 11.675 ( -3.522 -8.076 -5.012) 10.136 11.749 ( 2.371 -9.608 -10.382) 14.343 11.944 ( -6.397 14.892 -11.513) 19.880 12.335 ( 4.490 10.318 -9.199) 14.534 12.985 ( -8.687 -20.679 5.534) 23.102 13.334 ( -5.307 -8.472 2.640) 10.340 13.817 ( -2.472 3.368 5.653) 7.030 13.947 ( 16.006 -3.324 7.258) 17.886 14.611 ( -10.130 -3.160 -5.228) 11.829 14.795 ( -2.240 -0.748 2.078) 3.146 15.150 ( 7.653 4.131 -6.215) 10.689 16.406 ( 4.176 3.362 9.186) 10.636 16.556 ( -7.406 2.978 -3.941) 8.902 16.743 ( 2.917 1.868 -5.680) 6.652 17.579 ( -2.252 -8.156 7.119) 11.058 17.975 ( 1.660 -8.420 -4.157) 9.536 18.008 ( 0.689 4.178 12.592) 13.285 18.486 ( 0.869 3.944 -3.497) 5.342 18.795 ( -2.910 14.865 -8.743) 17.490 19.397 ( 4.651 -3.340 -4.439) 7.245 19.938 ( -2.882 0.162 -0.740) 2.980 20.193 ( 0.713 4.091 9.314) 10.198 20.964 ( -0.019 -0.730 -0.220) 0.762 ======================= Grid point 20 (15/90) ======================= q-point: ( 0.38 0.25 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 4.151 4.017 22.791) 23.512 2.313 ( 0.360 4.210 17.514) 18.016 2.349 ( 3.282 -8.031 -12.805) 15.467 2.680 ( -4.900 -3.100 1.186) 5.918 2.739 ( -3.424 -0.607 -10.608) 11.163 2.961 ( -2.234 -3.610 0.133) 4.247 3.156 ( 0.991 1.597 1.853) 2.639 3.275 ( -4.005 4.132 -3.357) 6.662 3.597 ( 9.073 -2.707 3.617) 10.136 3.902 ( -6.956 2.526 3.959) 8.393 4.274 ( 0.119 10.794 15.437) 18.837 4.322 ( 4.746 -5.544 2.722) 7.789 4.401 ( 7.033 1.619 -2.938) 7.792 4.669 ( -10.912 3.483 -1.056) 11.503 4.780 ( 2.711 -6.105 -2.178) 7.026 5.084 ( 1.209 1.191 -11.261) 11.389 5.409 ( 3.040 -5.078 -1.584) 6.126 5.631 ( -2.449 -0.420 -0.238) 2.496 5.981 ( -0.392 5.589 -6.073) 8.263 6.187 ( -2.562 -5.551 -1.139) 6.219 6.392 ( 1.048 -2.422 1.004) 2.823 6.943 ( 0.125 3.915 -3.864) 5.503 7.049 ( 2.333 -5.009 0.870) 5.594 7.303 ( 1.724 -5.140 0.365) 5.434 8.332 ( -5.896 -4.826 7.300) 10.552 8.770 ( -5.657 -3.589 -1.097) 6.789 8.937 ( 9.423 -0.956 8.429) 12.678 9.567 ( 1.737 4.499 -1.069) 4.940 9.707 ( -2.362 5.514 -7.558) 9.649 9.859 ( -4.967 -3.391 5.146) 7.915 10.139 ( -1.936 -8.403 9.152) 12.575 10.320 ( 7.762 -3.492 -1.546) 8.650 10.769 ( -1.502 -0.138 -3.752) 4.044 11.486 ( 7.895 -5.012 -12.875) 15.913 11.508 ( 0.194 -7.938 -7.931) 11.223 11.674 ( 0.174 0.764 8.169) 8.207 11.853 ( -5.825 16.996 -7.498) 19.469 12.363 ( 5.799 11.717 -7.729) 15.187 12.811 ( -7.125 -22.045 10.487) 25.431 13.266 ( -1.092 -5.456 0.801) 5.622 13.804 ( -9.329 -2.784 3.945) 10.504 14.113 ( 6.279 -5.237 -3.534) 8.907 14.492 ( -0.385 7.434 -1.250) 7.549 14.833 ( 3.950 -6.035 5.000) 8.776 15.162 ( 4.921 1.609 -6.841) 8.580 16.434 ( -7.872 4.197 -1.654) 9.073 16.566 ( -0.855 1.767 0.868) 2.147 16.763 ( 6.214 0.548 4.619) 7.761 17.566 ( 0.474 -9.494 1.841) 9.682 17.859 ( 1.736 -9.519 -3.651) 10.342 18.173 ( -2.880 4.996 4.367) 7.233 18.553 ( 4.214 3.723 3.419) 6.581 18.787 ( -1.187 17.277 -4.868) 17.989 19.348 ( 2.096 -0.171 -6.685) 7.008 19.803 ( -9.893 -4.276 -0.159) 10.779 20.391 ( 4.056 2.983 6.809) 8.468 20.956 ( 0.126 -0.667 -0.161) 0.698 ======================= Grid point 21 (16/90) ======================= q-point: (-0.50 0.25 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -2.619 -12.964 -15.300) 20.224 2.280 ( -12.995 2.522 -7.145) 15.042 2.407 ( 10.931 0.312 15.445) 18.924 2.643 ( -0.025 -1.188 1.820) 2.173 2.783 ( -1.226 5.165 13.292) 14.313 2.908 ( -2.632 -2.650 0.120) 3.737 3.182 ( -1.752 2.131 2.112) 3.474 3.247 ( 0.778 3.117 0.268) 3.223 3.663 ( 1.066 -1.860 -0.173) 2.150 3.998 ( -0.233 2.541 5.044) 5.653 4.176 ( -9.479 -0.615 -6.687) 11.616 4.250 ( -5.826 -4.012 -2.447) 7.485 4.405 ( 0.684 -0.907 -5.303) 5.423 4.695 ( 1.517 -0.483 7.719) 7.881 4.827 ( 10.671 -8.107 -6.256) 14.789 5.196 ( 5.287 11.171 9.605) 15.652 5.343 ( -0.420 -2.060 -7.890) 8.166 5.611 ( -2.138 2.340 5.335) 6.205 5.962 ( -0.211 7.576 -2.100) 7.865 6.123 ( 1.232 -5.523 -1.531) 5.862 6.363 ( 0.357 -3.530 -3.478) 4.968 6.867 ( 1.344 0.091 -7.765) 7.881 7.090 ( 2.324 1.351 1.125) 2.914 7.315 ( 2.765 -7.945 3.883) 9.265 8.307 ( -6.038 -4.707 5.750) 9.575 8.568 ( -6.517 -3.832 -7.484) 10.638 9.136 ( 0.064 3.210 2.412) 4.016 9.613 ( 0.041 5.864 -0.264) 5.870 9.640 ( 0.995 0.961 -0.507) 1.473 9.846 ( -2.880 -6.643 2.863) 7.785 10.189 ( 0.165 -10.086 11.181) 15.059 10.357 ( 5.200 -0.372 -2.153) 5.640 10.655 ( -2.969 1.801 -10.185) 10.761 11.317 ( 3.920 -9.825 -10.205) 14.698 11.472 ( 11.524 -1.169 -4.781) 12.531 11.727 ( -7.976 4.989 1.102) 9.472 11.881 ( -0.533 16.695 -0.903) 16.728 12.483 ( 8.991 2.338 2.827) 9.711 12.782 ( -0.423 -8.308 9.483) 12.615 13.242 ( 0.053 -3.245 1.516) 3.582 13.641 ( -7.467 -11.463 -2.490) 13.905 14.061 ( -1.489 1.573 -2.917) 3.633 14.520 ( -1.200 3.984 -3.387) 5.365 14.942 ( 6.101 -1.136 1.241) 6.329 15.155 ( 6.484 -1.623 -1.277) 6.805 16.357 ( -6.016 1.952 -0.892) 6.388 16.503 ( -1.856 1.187 -3.310) 3.977 16.994 ( 4.712 2.107 12.338) 13.375 17.511 ( 3.229 -5.824 -3.729) 7.632 17.758 ( 0.435 -10.713 -2.692) 11.055 18.158 ( -6.424 1.572 0.821) 6.665 18.643 ( 3.092 6.212 -3.887) 7.953 18.943 ( 2.353 14.573 7.059) 16.362 19.265 ( -0.611 2.699 -8.385) 8.830 19.649 ( -7.358 -8.180 2.290) 11.239 20.506 ( 0.175 1.291 3.377) 3.620 20.956 ( 0.501 -0.433 0.095) 0.669 ======================= Grid point 22 (17/90) ======================= q-point: (-0.38 0.25 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -13.101 -15.356 -14.168) 24.661 1.971 ( -19.209 6.854 -10.585) 22.978 2.548 ( 0.118 -4.687 3.042) 5.589 2.822 ( 2.231 3.590 7.973) 9.024 2.866 ( -1.060 -2.422 1.186) 2.898 2.972 ( 2.418 3.647 7.405) 8.601 3.214 ( -0.139 -1.367 1.396) 1.959 3.311 ( 1.711 3.138 2.875) 4.587 3.628 ( -10.946 0.861 3.354) 11.481 3.832 ( -10.616 0.692 -2.730) 10.983 4.117 ( -1.666 -0.006 2.333) 2.867 4.184 ( 2.689 -5.956 -2.172) 6.886 4.343 ( 1.714 3.232 -4.516) 5.812 4.723 ( 6.612 -1.614 -7.204) 9.911 4.983 ( 14.854 -6.702 6.554) 17.565 5.144 ( -4.855 4.024 -5.884) 8.625 5.439 ( 4.701 0.057 4.038) 6.197 5.698 ( 2.400 1.800 0.307) 3.015 6.040 ( -1.122 2.377 -4.769) 5.446 6.099 ( 1.895 4.734 8.325) 9.762 6.267 ( -0.494 -4.035 -4.834) 6.316 6.792 ( 0.186 0.335 -4.925) 4.940 7.158 ( 3.093 2.831 0.970) 4.304 7.354 ( 4.381 -7.624 3.459) 9.449 8.266 ( -6.422 -5.288 5.762) 10.120 8.380 ( -5.799 1.017 -5.249) 7.888 9.001 ( -13.728 2.636 -8.831) 16.535 9.619 ( 1.757 1.781 -5.196) 5.767 9.740 ( 2.666 -0.403 6.458) 6.998 9.785 ( -3.505 -4.175 3.217) 6.330 10.286 ( 2.681 -8.085 8.924) 12.337 10.399 ( -2.398 1.028 -5.938) 6.485 10.482 ( 2.788 2.762 -4.424) 5.914 11.189 ( 2.888 -4.544 -6.697) 8.593 11.619 ( 17.748 -4.437 -0.848) 18.314 11.656 ( -1.407 2.377 -3.683) 4.604 12.008 ( -0.430 17.938 0.559) 17.952 12.652 ( 3.944 -6.635 10.368) 12.926 12.934 ( 7.119 6.209 5.689) 11.027 13.247 ( -3.825 -0.031 3.161) 4.962 13.400 ( -1.865 -15.573 -7.000) 17.175 14.029 ( -5.641 5.402 0.897) 7.862 14.434 ( -1.002 -0.508 -7.356) 7.441 14.929 ( -0.267 0.631 -5.602) 5.644 15.322 ( 12.165 -1.826 5.703) 13.559 16.262 ( -4.608 -1.777 -1.854) 5.276 16.503 ( -0.468 6.481 0.620) 6.527 17.181 ( -0.833 -1.925 8.140) 8.406 17.479 ( 1.908 -0.606 -4.293) 4.737 17.668 ( 5.526 -8.701 -0.166) 10.309 18.082 ( -7.974 -0.596 1.832) 8.204 18.655 ( 1.077 7.509 -5.462) 9.348 19.075 ( -1.753 -0.643 -7.163) 7.402 19.231 ( 2.365 8.214 4.183) 9.516 19.586 ( -2.996 -4.431 6.827) 8.672 20.512 ( -3.233 -0.377 0.119) 3.257 20.964 ( 0.676 -0.185 0.268) 0.750 ======================= Grid point 23 (18/90) ======================= q-point: (-0.25 0.25 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -21.072 -10.579 -4.454) 23.996 1.606 ( -24.720 12.971 -10.232) 29.732 2.508 ( -16.337 -4.230 8.735) 19.002 2.836 ( -1.406 -2.953 0.720) 3.350 2.882 ( -0.892 2.076 -2.232) 3.177 3.018 ( -6.047 2.266 0.940) 6.526 3.145 ( -6.996 -2.275 1.194) 7.453 3.399 ( 1.589 1.124 0.089) 1.949 3.556 ( -3.250 0.910 6.364) 7.204 3.865 ( 7.343 0.423 -0.513) 7.373 4.089 ( -2.154 -0.517 -4.773) 5.262 4.167 ( 4.697 -3.365 1.594) 5.993 4.404 ( 7.055 4.322 -0.453) 8.286 4.696 ( 2.417 -0.650 -4.368) 5.035 4.993 ( 3.245 -0.713 -1.772) 3.766 5.321 ( 12.803 1.210 4.305) 13.562 5.531 ( 5.443 -1.618 1.736) 5.937 5.706 ( 2.089 -1.688 -2.499) 3.669 5.923 ( 0.222 -3.535 -5.053) 6.171 6.163 ( -4.426 -1.129 -2.205) 5.072 6.324 ( 3.732 8.650 5.036) 10.682 6.729 ( -5.554 -0.135 0.503) 5.578 7.224 ( 3.472 1.362 -0.569) 3.773 7.412 ( 6.154 -3.926 1.194) 7.397 8.209 ( -7.620 -6.957 7.178) 12.569 8.319 ( -4.193 9.289 -0.022) 10.192 8.665 ( -16.145 -1.929 -8.938) 18.555 9.571 ( 0.375 2.243 -4.595) 5.126 9.779 ( -3.828 -2.091 6.166) 7.553 9.816 ( -1.024 0.398 1.923) 2.215 10.158 ( -6.237 0.970 -8.383) 10.494 10.424 ( 3.198 -2.786 7.115) 8.283 10.582 ( 6.177 0.294 -0.951) 6.256 11.153 ( 3.833 1.271 -1.972) 4.494 11.636 ( 6.872 -6.959 -0.781) 9.811 11.833 ( 17.407 -3.277 0.272) 17.714 12.154 ( 1.549 19.012 -0.539) 19.083 12.760 ( 3.563 -5.107 2.269) 6.627 13.106 ( -0.536 -0.194 -6.791) 6.815 13.131 ( -1.470 -14.515 6.430) 15.943 13.293 ( -0.815 6.770 1.048) 6.899 14.014 ( -8.999 6.847 4.051) 12.012 14.339 ( 2.750 -0.941 -4.954) 5.744 14.841 ( -0.422 -2.162 -4.853) 5.330 15.536 ( 11.349 0.071 2.508) 11.623 16.185 ( -4.006 -0.068 0.594) 4.051 16.571 ( 0.446 6.268 0.356) 6.294 17.139 ( -1.755 -14.478 -0.857) 14.609 17.444 ( -2.380 10.780 -1.337) 11.121 17.809 ( 10.649 -1.492 5.545) 12.098 17.995 ( -8.465 -2.143 2.613) 9.115 18.628 ( -3.104 5.752 -4.342) 7.847 18.892 ( -1.464 -2.923 -9.693) 10.229 19.354 ( 5.295 -6.521 4.070) 9.334 19.695 ( -1.103 5.763 8.801) 10.578 20.427 ( -5.597 -0.575 -2.767) 6.270 20.974 ( 0.540 -0.023 -0.034) 0.541 ======================= Grid point 24 (19/90) ======================= q-point: (-0.12 0.25 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -17.050 10.405 19.402) 27.846 1.284 ( -26.601 19.914 -3.013) 33.366 2.283 ( -35.923 -5.884 19.277) 41.191 2.800 ( -3.515 0.275 2.279) 4.198 2.839 ( -1.006 1.665 -4.687) 5.075 3.007 ( -2.431 1.835 3.476) 4.622 3.100 ( 0.262 -1.085 -0.547) 1.243 3.405 ( 3.492 -1.802 -2.668) 4.750 3.573 ( 0.164 -1.217 -4.419) 4.586 3.874 ( 1.445 2.313 -10.952) 11.287 3.909 ( 2.508 -7.465 -8.927) 11.904 4.305 ( 3.132 1.698 6.422) 7.344 4.538 ( 8.348 2.115 -0.286) 8.616 4.682 ( 1.689 1.153 -0.526) 2.112 5.135 ( 6.907 -0.629 9.089) 11.433 5.440 ( 7.155 -4.505 -4.441) 9.550 5.547 ( 0.334 4.093 -8.154) 9.130 5.711 ( 7.110 -0.924 -1.523) 7.329 5.924 ( 6.999 -0.939 0.295) 7.068 6.070 ( -6.604 -2.289 1.475) 7.144 6.419 ( 0.228 1.313 -1.531) 2.030 6.661 ( -11.017 2.749 4.761) 12.313 7.268 ( 5.287 -0.942 -0.538) 5.397 7.490 ( 6.459 0.830 -0.698) 6.549 8.193 ( -5.129 -2.567 6.219) 8.460 8.321 ( -12.337 -0.312 -1.155) 12.395 8.411 ( -7.233 6.858 6.335) 11.811 9.583 ( 2.323 3.299 1.975) 4.492 9.792 ( -2.069 -0.872 2.280) 3.200 9.801 ( -3.099 0.584 1.450) 3.471 10.122 ( -2.123 2.704 9.595) 10.193 10.496 ( 4.351 4.463 -5.838) 8.541 10.592 ( 3.700 -5.480 -0.835) 6.665 11.252 ( 5.362 0.565 3.979) 6.701 11.699 ( 9.821 -5.019 0.461) 11.039 11.989 ( 8.566 -4.144 -0.422) 9.525 12.352 ( 10.238 15.553 0.321) 18.624 12.653 ( 2.549 -18.743 -7.886) 20.493 12.830 ( -12.681 -0.715 -13.984) 18.891 13.184 ( 5.265 -3.672 5.121) 8.212 13.430 ( 0.361 9.859 5.460) 11.276 14.001 ( -12.529 3.159 8.032) 15.214 14.382 ( 5.885 0.626 2.294) 6.347 14.775 ( 1.796 -0.009 -3.244) 3.708 15.644 ( 5.162 -0.509 -4.926) 7.153 16.194 ( -1.583 3.666 4.890) 6.314 16.538 ( -2.605 -4.656 -5.706) 7.812 17.037 ( 3.743 -6.440 -0.662) 7.478 17.524 ( -2.882 13.683 1.658) 14.081 17.862 ( -12.087 -2.207 -1.132) 12.339 17.995 ( 7.760 0.040 2.709) 8.220 18.578 ( -3.144 -1.322 5.078) 6.117 18.788 ( 4.440 4.314 -8.749) 10.718 19.417 ( 6.009 -13.314 5.422) 15.581 19.740 ( -5.515 -1.828 -2.464) 6.311 20.331 ( -5.340 5.857 -1.322) 8.035 20.975 ( 0.270 0.048 -0.527) 0.594 ======================= Grid point 26 (20/90) ======================= q-point: ( 0.12 0.38 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -11.725 12.725 18.671) 25.456 2.162 ( -10.993 7.449 21.417) 25.200 2.433 ( 5.017 -5.198 -13.325) 15.157 2.687 ( 8.385 -11.875 -7.191) 16.218 2.894 ( 3.979 0.043 4.228) 5.806 2.958 ( 2.961 2.673 -1.517) 4.268 3.120 ( 0.359 -2.913 -4.591) 5.449 3.193 ( -3.652 -0.875 1.113) 3.917 3.486 ( 0.262 -2.313 -2.538) 3.444 3.738 ( -10.691 16.424 29.785) 35.653 4.003 ( 2.196 6.373 2.302) 7.123 4.241 ( 1.545 -9.677 -8.360) 12.881 4.522 ( -8.148 -0.287 3.065) 8.710 4.738 ( 1.462 5.701 -6.242) 8.579 4.852 ( 9.789 -6.728 -7.597) 14.100 5.304 ( -1.813 3.909 -4.831) 6.473 5.512 ( -1.428 -5.714 0.908) 5.959 5.655 ( 5.401 -10.897 -8.884) 15.062 5.831 ( 4.618 5.876 -4.359) 8.652 6.270 ( 0.504 0.942 3.395) 3.559 6.426 ( -4.638 -2.831 4.473) 7.038 6.931 ( -4.220 8.109 3.608) 9.827 7.156 ( 1.480 -4.073 -5.159) 6.737 7.321 ( -2.695 -6.882 -0.561) 7.412 8.287 ( 9.262 0.425 9.863) 13.537 8.488 ( -4.962 -2.883 6.043) 8.334 9.055 ( -3.391 3.748 3.138) 5.949 9.546 ( -1.760 -1.244 -6.311) 6.669 9.798 ( 0.599 0.266 -2.690) 2.769 9.845 ( 3.139 1.941 5.115) 6.308 10.042 ( 3.332 -4.125 4.273) 6.810 10.423 ( -7.871 -3.689 -1.936) 8.905 10.821 ( 4.751 -2.578 0.757) 5.458 11.291 ( -2.111 2.261 -2.280) 3.843 11.645 ( 4.242 -7.522 -9.205) 12.621 11.792 ( -4.347 -5.496 -4.630) 8.399 12.039 ( -0.050 9.258 -9.309) 13.129 12.294 ( -2.969 0.950 -0.332) 3.135 12.966 ( 11.074 -1.224 4.197) 11.906 13.383 ( 12.688 2.096 4.077) 13.491 13.540 ( -3.619 -12.287 1.466) 12.893 14.034 ( -10.593 -2.762 6.494) 12.729 14.670 ( 6.849 3.401 2.053) 7.918 14.914 ( -1.213 -4.212 -14.072) 14.739 15.152 ( -10.338 1.889 1.978) 10.694 16.281 ( 4.696 4.988 5.037) 8.504 16.539 ( 3.712 1.444 -0.073) 3.984 16.837 ( -5.044 -1.017 -4.216) 6.652 17.722 ( -7.267 -3.828 4.882) 9.555 17.936 ( 1.052 -7.231 0.520) 7.325 18.031 ( -1.867 -1.008 9.852) 10.078 18.454 ( 0.596 6.904 -8.996) 11.356 18.843 ( 1.767 12.065 -9.204) 15.278 19.281 ( 1.016 -4.053 -0.085) 4.180 19.749 ( 9.663 0.167 8.442) 12.832 20.373 ( -6.995 2.030 0.492) 7.300 20.963 ( 0.136 -0.493 -0.088) 0.519 ======================= Grid point 27 (21/90) ======================= q-point: ( 0.25 0.38 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -7.896 6.367 16.128) 19.052 2.246 ( 3.840 -8.585 -13.387) 16.360 2.388 ( -5.907 4.818 19.617) 21.046 2.631 ( 6.409 -8.818 -1.993) 11.082 2.888 ( -1.382 0.878 -2.757) 3.206 2.961 ( -1.028 1.560 -7.673) 7.897 3.149 ( 1.249 0.881 8.089) 8.232 3.250 ( 3.621 3.015 4.839) 6.754 3.433 ( 0.628 -2.137 -2.110) 3.069 4.027 ( 2.660 -10.679 -5.193) 12.169 4.169 ( 3.523 7.220 -0.823) 8.076 4.213 ( 0.250 12.690 23.194) 26.440 4.433 ( -8.853 1.494 5.191) 10.371 4.660 ( 3.073 -3.200 -11.076) 11.932 4.854 ( 1.894 -3.610 1.647) 4.397 5.166 ( -5.140 0.783 -10.124) 11.381 5.413 ( -4.278 -5.493 -1.987) 7.240 5.570 ( 6.074 -0.838 -5.996) 8.576 5.886 ( 5.805 3.603 -3.355) 7.611 6.266 ( -1.493 -2.978 -2.172) 3.977 6.414 ( -2.465 -1.532 2.611) 3.904 6.961 ( -1.989 2.733 -3.640) 4.967 7.059 ( -2.410 -5.296 2.633) 6.387 7.274 ( 0.464 -3.683 0.464) 3.741 8.475 ( -4.175 -3.130 4.327) 6.778 8.600 ( 11.510 -1.412 14.605) 18.649 8.912 ( -1.554 -7.273 -12.057) 14.167 9.570 ( -2.491 7.024 6.202) 9.696 9.749 ( -0.556 2.568 -4.812) 5.483 9.971 ( 1.674 0.178 5.681) 5.925 10.135 ( 2.520 -6.387 6.697) 9.592 10.238 ( -6.325 -5.747 -2.775) 8.985 10.800 ( -0.109 -1.431 -4.693) 4.907 11.291 ( 5.260 1.822 -8.619) 10.261 11.508 ( 2.244 -1.239 -8.488) 8.867 11.629 ( -2.484 -8.764 0.602) 9.129 12.013 ( -3.349 11.634 -3.641) 12.642 12.293 ( -0.872 6.476 -1.754) 6.766 12.972 ( -2.673 -11.139 0.407) 11.462 13.375 ( -7.184 -13.462 2.596) 15.478 13.736 ( 20.274 1.740 5.684) 21.127 14.005 ( -6.006 0.610 3.550) 7.003 14.578 ( -5.730 -6.556 -9.657) 13.003 14.808 ( 3.727 3.191 -1.373) 5.095 15.089 ( -4.680 -0.313 0.434) 4.710 16.511 ( 5.233 7.245 7.523) 11.682 16.543 ( 1.756 -0.041 -4.253) 4.601 16.726 ( -5.150 -0.355 0.480) 5.184 17.650 ( -5.860 -7.604 3.475) 10.210 17.820 ( 0.457 -12.522 -2.943) 12.871 18.203 ( 0.506 6.930 6.792) 9.717 18.451 ( 2.892 5.659 -1.102) 6.450 18.821 ( -0.461 14.195 -7.679) 16.145 19.267 ( 2.732 -1.663 -3.207) 4.529 19.926 ( 2.608 -1.573 1.299) 3.312 20.352 ( -2.507 2.496 6.118) 7.067 20.956 ( -0.103 -0.674 -0.226) 0.718 ======================= Grid point 28 (22/90) ======================= q-point: ( 0.38 0.38 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 4.142 -11.015 -12.918) 17.475 2.250 ( 0.905 0.495 9.893) 9.947 2.527 ( -5.739 1.224 7.013) 9.145 2.696 ( -1.776 2.788 5.897) 6.761 2.859 ( -4.560 6.452 4.979) 9.339 2.878 ( 2.932 -5.475 -3.301) 7.033 3.256 ( -1.504 2.901 5.049) 6.014 3.346 ( -4.985 6.582 1.934) 8.480 3.458 ( 8.567 -3.984 -0.326) 9.454 3.930 ( 4.325 -7.738 -0.282) 8.869 4.229 ( 2.116 1.101 -5.472) 5.969 4.336 ( -0.255 -0.747 0.177) 0.809 4.485 ( -1.140 -0.945 -0.969) 1.770 4.587 ( 3.583 -3.354 -4.962) 6.979 4.825 ( -8.684 -3.418 0.721) 9.360 5.105 ( 1.034 8.777 10.459) 13.693 5.336 ( 0.153 0.662 -2.844) 2.924 5.595 ( 5.482 0.045 -2.146) 5.887 5.935 ( 2.473 5.965 -2.193) 6.820 6.156 ( -3.276 -3.318 -4.078) 6.194 6.384 ( -1.884 -2.809 -1.094) 3.555 6.850 ( -0.486 -5.466 -4.452) 7.066 7.069 ( -1.353 0.935 1.422) 2.174 7.272 ( 0.692 -3.648 2.060) 4.246 8.447 ( -4.120 -3.849 3.480) 6.626 8.671 ( -0.923 -6.531 -11.291) 13.077 8.947 ( 10.873 -0.963 14.547) 18.187 9.671 ( -3.164 4.146 4.508) 6.894 9.695 ( -2.516 7.996 -4.817) 9.668 9.970 ( -7.029 -4.829 2.914) 9.012 10.162 ( 4.572 -4.520 -0.122) 6.430 10.208 ( 2.082 -8.179 6.497) 10.651 10.697 ( -0.190 1.187 -9.297) 9.374 11.168 ( 4.262 -6.755 -10.496) 13.189 11.358 ( -1.433 -0.623 -10.036) 10.156 11.781 ( 7.564 1.494 12.433) 14.629 12.011 ( -6.218 13.364 -1.997) 14.875 12.289 ( -0.584 8.967 -5.925) 10.763 12.853 ( -3.420 -16.993 7.067) 18.719 13.257 ( -2.621 -6.683 1.185) 7.276 13.839 ( -2.545 -9.234 -7.201) 11.983 14.041 ( 1.887 5.788 3.442) 6.993 14.482 ( 5.398 1.885 -0.838) 5.778 14.816 ( -1.184 -3.248 1.199) 3.660 15.051 ( 1.389 0.605 -2.978) 3.341 16.506 ( -0.342 1.806 -2.439) 3.055 16.532 ( -3.499 -3.449 -3.480) 6.020 16.863 ( 3.374 6.830 12.223) 14.403 17.542 ( -4.515 -7.281 -0.700) 8.596 17.719 ( 2.163 -8.728 -2.943) 9.461 18.274 ( -1.668 3.013 0.363) 3.463 18.551 ( 2.874 5.677 -0.011) 6.363 18.888 ( 2.252 13.364 1.819) 13.674 19.235 ( 1.690 0.268 -4.905) 5.195 19.842 ( -5.535 -5.553 -2.841) 8.339 20.480 ( 1.483 2.883 6.720) 7.462 20.946 ( 0.048 -0.600 -0.277) 0.663 ======================= Grid point 29 (23/90) ======================= q-point: (-0.50 0.38 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.235 -9.706 -9.940) 13.895 2.294 ( -3.296 1.652 -5.944) 6.995 2.550 ( -4.907 -0.398 8.494) 9.818 2.778 ( -3.041 5.164 9.106) 10.900 2.860 ( 4.678 -5.291 0.464) 7.078 2.964 ( -1.481 3.942 5.547) 6.964 3.264 ( -3.248 4.272 -2.945) 6.121 3.352 ( -4.188 2.054 3.517) 5.842 3.551 ( 6.088 -1.002 4.713) 7.764 3.967 ( 5.886 -2.823 -5.074) 8.268 4.137 ( 1.169 -3.725 -3.787) 5.439 4.311 ( -2.195 -1.010 -0.497) 2.467 4.417 ( -8.676 -1.109 -4.068) 9.646 4.519 ( 8.169 -1.030 -5.292) 9.788 4.735 ( -0.941 -4.701 3.496) 5.934 5.272 ( -2.212 1.480 -3.989) 4.796 5.378 ( 0.043 5.083 9.368) 10.658 5.637 ( 4.008 -0.670 -1.379) 4.291 6.029 ( 2.357 10.265 3.755) 11.182 6.060 ( -0.899 -2.720 -1.992) 3.489 6.285 ( -1.987 -5.371 -4.340) 7.185 6.771 ( 0.802 0.511 -4.303) 4.407 7.082 ( 1.552 0.225 0.816) 1.768 7.287 ( 0.995 -5.071 2.967) 5.958 8.408 ( -3.989 -2.287 2.209) 5.101 8.495 ( -2.086 -4.291 -5.172) 7.036 9.208 ( 0.997 2.349 5.266) 5.852 9.593 ( -1.525 2.641 -5.505) 6.293 9.727 ( -3.397 5.437 1.429) 6.568 9.903 ( -4.979 -5.690 6.343) 9.869 10.200 ( 4.842 -9.363 6.145) 12.201 10.270 ( 4.504 0.065 -1.578) 4.773 10.563 ( -1.602 0.512 -8.539) 8.703 11.062 ( 3.935 -6.251 -5.626) 9.285 11.275 ( 6.741 -0.796 -4.445) 8.114 11.908 ( -13.057 6.305 -2.719) 14.752 12.029 ( -0.584 11.853 2.684) 12.167 12.363 ( 13.965 1.977 1.197) 14.155 12.849 ( 0.017 -11.652 10.227) 15.503 13.238 ( 0.947 -0.595 1.006) 1.504 13.585 ( -7.019 -8.123 -6.987) 12.809 14.108 ( -1.005 5.047 0.977) 5.238 14.514 ( -3.564 0.529 -3.840) 5.265 14.849 ( 7.067 -1.736 0.802) 7.322 15.055 ( 4.868 -0.533 -0.652) 4.940 16.403 ( -5.311 -2.685 -2.033) 6.289 16.508 ( 0.620 3.643 -0.801) 3.781 17.128 ( 3.917 4.011 11.661) 12.939 17.426 ( -1.145 -4.729 -2.995) 5.713 17.636 ( 0.464 -6.794 -3.336) 7.583 18.250 ( -4.355 0.909 0.401) 4.467 18.593 ( 2.534 5.431 -3.611) 6.997 19.082 ( 2.403 7.456 5.187) 9.395 19.178 ( 0.659 0.511 -4.989) 5.058 19.698 ( -4.736 -4.761 0.124) 6.717 20.569 ( -0.928 1.251 2.786) 3.192 20.944 ( 0.630 -0.338 -0.105) 0.723 ======================= Grid point 30 (24/90) ======================= q-point: (-0.38 0.38 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -9.722 -4.847 -2.892) 11.241 2.113 ( -12.830 8.824 -8.098) 17.552 2.578 ( -1.613 -4.285 6.122) 7.645 2.881 ( 2.505 -4.521 3.427) 6.202 2.921 ( -1.094 3.426 0.360) 3.615 3.030 ( 0.701 1.790 2.543) 3.188 3.209 ( -0.259 0.504 -0.985) 1.137 3.383 ( -0.587 0.652 3.118) 3.239 3.675 ( 2.827 2.385 1.769) 4.101 3.921 ( -0.576 -3.009 -2.922) 4.233 4.051 ( 2.979 -2.382 -8.350) 9.180 4.215 ( -13.043 -3.569 1.306) 13.586 4.309 ( 0.811 2.372 0.143) 2.511 4.576 ( 4.720 6.924 -1.579) 8.527 4.822 ( 8.420 -7.500 5.176) 12.407 5.185 ( -3.676 3.453 -2.120) 5.471 5.469 ( 0.042 -0.180 2.442) 2.449 5.640 ( 4.039 -2.229 -3.787) 5.969 5.980 ( -4.492 -6.035 -2.622) 7.967 6.141 ( 3.712 -1.148 -2.634) 4.694 6.272 ( 1.600 8.437 5.339) 10.111 6.769 ( 1.328 6.048 -1.700) 6.422 7.138 ( 3.522 -1.245 2.038) 4.256 7.298 ( 1.772 -4.430 1.389) 4.969 8.387 ( -3.650 0.223 3.755) 5.241 8.404 ( -3.724 -1.210 0.672) 3.973 9.052 ( -12.457 0.113 -11.519) 16.967 9.581 ( -1.104 5.183 -2.093) 5.697 9.794 ( 2.161 1.686 4.791) 5.519 9.912 ( -5.499 -3.310 8.566) 10.704 10.199 ( 1.184 -0.530 -8.157) 8.259 10.357 ( 9.654 -0.608 1.699) 9.821 10.471 ( -3.363 -2.668 2.430) 4.933 11.032 ( 4.719 -3.215 -1.303) 5.857 11.386 ( 12.953 -3.605 1.974) 13.589 11.698 ( -10.410 5.210 -7.189) 13.682 12.135 ( 0.845 11.349 0.346) 11.386 12.586 ( 11.845 -4.077 1.830) 12.660 12.919 ( 4.518 -10.357 6.096) 12.839 13.236 ( -0.269 1.695 -3.653) 4.036 13.442 ( -7.621 2.755 5.128) 9.590 14.146 ( -1.150 5.683 1.225) 5.926 14.346 ( -5.033 -2.640 -7.303) 9.253 14.864 ( -0.339 -1.766 -2.894) 3.407 15.200 ( 12.901 -0.182 2.438) 13.131 16.311 ( -5.318 -0.564 1.007) 5.442 16.551 ( 1.337 5.792 -0.246) 5.950 17.210 ( -2.361 -9.529 -1.967) 10.012 17.447 ( 4.071 3.662 3.212) 6.348 17.587 ( 2.649 0.630 1.450) 3.084 18.193 ( -6.113 -0.401 1.228) 6.248 18.620 ( 2.436 3.725 -2.342) 5.029 19.003 ( -5.498 -0.643 -9.109) 10.659 19.237 ( 3.824 -6.069 4.085) 8.255 19.710 ( -0.149 4.189 6.090) 7.393 20.551 ( -3.633 -0.313 -1.260) 3.858 20.953 ( 0.955 -0.057 -0.047) 0.958 ======================= Grid point 31 (25/90) ======================= q-point: (-0.25 0.38 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -16.452 4.211 10.494) 19.964 1.899 ( -18.815 15.819 -5.076) 25.100 2.636 ( 1.189 -5.000 6.678) 8.427 2.836 ( -1.448 -0.269 -8.299) 8.429 2.904 ( -1.496 -1.469 1.428) 2.537 3.044 ( 1.021 -1.817 -0.423) 2.126 3.241 ( -1.405 -2.274 4.467) 5.206 3.389 ( 0.027 0.378 -2.661) 2.688 3.669 ( -4.445 -1.675 -6.061) 7.700 3.780 ( 0.186 -4.980 -5.314) 7.285 3.977 ( -7.157 0.580 -2.538) 7.616 4.159 ( 2.446 1.652 6.710) 7.331 4.408 ( 3.034 3.709 4.526) 6.592 4.665 ( 0.277 9.479 -1.082) 9.544 4.948 ( 8.016 -5.446 7.032) 11.973 5.180 ( 4.305 1.848 -6.401) 7.932 5.500 ( 3.475 -0.714 1.240) 3.758 5.620 ( 6.513 -4.334 -5.235) 9.414 5.821 ( -4.459 -6.891 -1.523) 8.348 6.172 ( 1.072 2.397 0.794) 2.743 6.397 ( 0.411 5.047 2.117) 5.488 6.829 ( -1.514 6.002 2.607) 6.717 7.186 ( 2.677 -3.777 1.247) 4.794 7.318 ( 4.449 0.260 -1.320) 4.648 8.360 ( -6.550 -4.668 6.638) 10.429 8.462 ( -1.290 10.076 4.521) 11.119 8.715 ( -12.497 -1.766 -9.695) 15.915 9.577 ( -1.877 5.773 -0.471) 6.088 9.835 ( -0.728 -1.060 -1.213) 1.768 9.924 ( -5.200 -1.115 5.417) 7.592 10.152 ( 1.263 4.426 0.070) 4.603 10.406 ( 3.807 2.261 -8.355) 9.456 10.525 ( 0.375 -5.885 8.964) 10.729 11.105 ( 5.480 1.512 3.166) 6.507 11.506 ( 4.893 -6.869 0.709) 8.463 11.652 ( 9.460 2.795 0.651) 9.886 12.238 ( 3.292 10.236 -1.417) 10.845 12.572 ( 3.242 -9.378 -9.903) 14.018 12.969 ( 5.295 -13.782 5.178) 15.645 13.221 ( -7.449 8.704 -0.915) 11.493 13.453 ( -4.699 7.001 2.341) 8.751 14.204 ( 0.724 7.004 0.490) 7.058 14.247 ( -0.383 -0.638 2.661) 2.763 14.777 ( -2.259 -4.146 -2.850) 5.515 15.391 ( 12.481 0.851 -0.439) 12.517 16.284 ( -4.655 1.661 4.035) 6.380 16.596 ( -0.422 3.674 -2.339) 4.376 17.011 ( -1.609 -13.244 -5.055) 14.267 17.548 ( 0.193 11.794 1.560) 11.898 17.761 ( 8.959 3.366 4.655) 10.643 18.118 ( -7.661 -3.052 2.604) 8.648 18.642 ( 1.720 2.503 -2.396) 3.869 18.781 ( -5.802 -4.605 -6.786) 10.046 19.277 ( 4.181 -10.108 4.333) 11.766 19.828 ( -1.066 3.924 3.248) 5.204 20.458 ( -4.326 0.574 -3.007) 5.300 20.963 ( 0.707 0.141 -0.315) 0.787 ======================= Grid point 32 (26/90) ======================= q-point: (-0.12 0.38 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -12.383 12.374 21.081) 27.402 1.759 ( -20.423 21.133 4.074) 29.670 2.655 ( -6.999 -6.545 5.932) 11.270 2.721 ( 4.418 -0.639 -8.271) 9.399 2.856 ( 0.838 -2.985 -4.496) 5.461 3.061 ( 1.365 -2.701 2.262) 3.778 3.237 ( -2.850 -1.726 1.236) 3.554 3.336 ( -0.778 -2.171 -2.480) 3.387 3.450 ( -9.360 -0.862 -4.153) 10.276 3.697 ( 1.267 -4.825 -5.379) 7.336 3.892 ( -7.467 6.580 1.707) 10.098 4.340 ( 5.131 2.725 5.861) 8.252 4.498 ( 0.580 -1.634 2.554) 3.087 4.723 ( -0.430 11.031 -0.473) 11.050 5.037 ( 9.901 -10.872 -15.645) 21.471 5.179 ( 6.239 -0.183 7.562) 9.806 5.570 ( 4.088 -2.260 -3.114) 5.614 5.627 ( 6.699 5.705 -2.726) 9.212 5.757 ( 2.035 -7.199 2.344) 7.840 6.195 ( -4.435 3.171 2.547) 6.018 6.439 ( -0.810 0.425 2.117) 2.306 6.868 ( -5.910 4.847 4.253) 8.747 7.193 ( 2.981 -4.886 -0.168) 5.726 7.393 ( 6.940 3.755 -1.984) 8.136 8.268 ( -8.572 -1.979 -4.576) 9.917 8.480 ( -7.249 -2.810 4.980) 9.233 8.661 ( -2.097 11.383 10.525) 15.644 9.624 ( 0.515 4.365 2.778) 5.200 9.793 ( -0.032 -1.657 -0.933) 1.902 9.898 ( -4.094 -1.698 0.799) 4.504 10.199 ( -1.114 1.694 -8.143) 8.392 10.385 ( 6.469 6.978 0.876) 9.556 10.574 ( -1.760 -4.978 6.801) 8.610 11.265 ( 4.880 0.917 6.416) 8.113 11.562 ( 7.895 -1.100 0.218) 7.974 11.834 ( 10.724 -2.723 2.802) 11.413 12.317 ( 7.122 -13.036 -4.519) 15.526 12.389 ( 1.006 10.324 -8.276) 13.270 12.828 ( -13.690 -7.898 -6.819) 17.213 13.199 ( 0.486 3.408 2.176) 4.073 13.521 ( 1.588 6.280 0.962) 6.548 14.279 ( -7.030 4.805 5.878) 10.347 14.336 ( 4.778 -1.743 4.885) 7.053 14.729 ( 2.942 2.965 -0.071) 4.177 15.498 ( 6.716 -1.199 -4.166) 7.994 16.326 ( -2.641 3.594 5.979) 7.459 16.442 ( -5.615 -8.829 -8.076) 13.218 16.947 ( 4.307 -0.617 -1.460) 4.589 17.675 ( -0.729 14.338 1.336) 14.419 17.932 ( 6.712 1.782 0.976) 7.012 18.006 ( -10.295 -6.295 4.288) 12.806 18.613 ( 4.154 4.178 -9.773) 11.412 18.683 ( -1.998 -4.492 5.664) 7.500 19.328 ( 4.942 -11.024 5.704) 13.360 19.746 ( -7.994 -2.517 -6.391) 10.540 20.418 ( -1.885 4.498 0.214) 4.881 20.965 ( 0.307 0.182 -0.464) 0.586 ======================= Grid point 35 (27/90) ======================= q-point: ( 0.12 -0.50 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 8.949 -8.031 -15.156) 19.346 2.212 ( 8.126 -14.096 -6.905) 17.675 2.453 ( -3.739 1.594 13.309) 13.916 2.614 ( -6.355 8.359 14.175) 17.641 2.789 ( 4.508 1.010 -6.972) 8.364 3.005 ( -0.672 6.743 1.425) 6.924 3.115 ( -0.232 -0.571 6.322) 6.352 3.270 ( -3.185 0.199 2.988) 4.372 3.484 ( -2.292 1.873 0.440) 2.992 3.881 ( 8.588 -9.203 -9.594) 15.827 4.043 ( 5.482 4.112 -1.889) 7.108 4.359 ( -9.308 1.562 7.742) 12.207 4.489 ( 6.149 3.045 -0.067) 6.862 4.679 ( -5.271 -1.346 3.037) 6.231 4.829 ( 1.668 -1.429 4.467) 4.978 5.215 ( -0.396 -0.913 -10.597) 10.644 5.394 ( -0.833 3.577 1.126) 3.842 5.594 ( -6.965 -7.927 0.120) 10.553 5.793 ( 2.812 4.804 -3.171) 6.406 6.275 ( 0.688 -2.235 -0.901) 2.506 6.473 ( -0.899 -0.281 -1.175) 1.506 7.007 ( 1.464 -2.011 -4.065) 4.766 7.100 ( -2.297 4.854 1.337) 5.534 7.328 ( -4.717 -6.750 1.930) 8.457 8.288 ( 9.925 1.270 8.008) 12.816 8.557 ( -0.015 -0.380 0.123) 0.400 8.926 ( 0.113 -10.015 -13.077) 16.472 9.651 ( -2.437 5.349 3.868) 7.037 9.747 ( -0.479 1.179 -3.253) 3.493 9.895 ( 3.041 1.707 4.540) 5.725 10.062 ( 2.175 -4.058 11.434) 12.326 10.434 ( -6.341 -8.552 -4.556) 11.580 10.712 ( 6.047 3.174 -7.009) 9.786 11.296 ( -4.432 2.027 -6.683) 8.271 11.503 ( -3.337 -5.048 -1.809) 6.316 11.767 ( -6.638 -1.969 -4.325) 8.164 12.079 ( -2.393 13.790 1.096) 14.039 12.353 ( -3.710 -6.649 4.265) 8.727 12.881 ( 12.199 5.411 3.274) 13.741 13.276 ( 7.580 -3.917 2.081) 8.782 13.535 ( -2.879 -6.342 0.814) 7.013 14.211 ( -10.248 -4.763 3.316) 11.777 14.553 ( 12.318 6.706 -7.576) 15.940 14.752 ( -5.929 -9.255 -6.221) 12.630 15.332 ( -8.325 2.305 3.537) 9.334 16.345 ( 6.209 8.695 7.107) 12.832 16.464 ( 2.960 -1.806 -4.588) 5.751 16.870 ( -4.630 -1.628 1.219) 5.057 17.794 ( -1.962 -11.237 -0.688) 11.428 17.866 ( -5.148 -5.769 1.083) 7.807 18.123 ( 6.027 7.072 -1.336) 9.388 18.454 ( -3.769 1.673 3.583) 5.463 18.768 ( 3.756 6.999 -6.402) 10.202 19.277 ( -3.560 4.132 -3.553) 6.509 19.745 ( 9.019 1.262 7.813) 11.999 20.440 ( -2.278 -1.323 0.059) 2.635 20.959 ( -0.121 -0.361 0.151) 0.410 ======================= Grid point 36 (28/90) ======================= q-point: ( 0.25 -0.50 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 8.824 -9.037 -15.071) 19.664 2.179 ( 9.161 -13.095 -0.409) 15.986 2.597 ( -3.099 0.397 11.476) 11.894 2.758 ( 0.315 4.879 2.366) 5.431 2.807 ( -0.460 2.846 4.883) 5.670 2.983 ( -3.803 6.153 -2.201) 7.561 3.245 ( 1.428 2.432 3.978) 4.876 3.307 ( -0.606 0.556 5.559) 5.619 3.505 ( -4.878 5.281 7.288) 10.237 3.810 ( 6.013 -8.866 -5.245) 11.928 4.124 ( 5.997 2.543 -3.022) 7.181 4.280 ( 1.933 -1.751 -6.081) 6.617 4.483 ( -0.564 -2.256 -6.480) 6.885 4.689 ( -6.142 -3.844 5.484) 9.087 4.944 ( 0.833 -0.738 3.659) 3.824 5.079 ( 0.554 -0.432 0.418) 0.817 5.393 ( -3.919 4.613 -1.376) 6.207 5.484 ( -2.223 0.605 0.059) 2.304 5.846 ( 4.021 5.029 -0.505) 6.459 6.213 ( -1.413 -4.184 -3.565) 5.676 6.439 ( -1.242 -1.370 -1.309) 2.266 6.912 ( -2.477 -6.271 -3.662) 7.673 7.123 ( -2.245 4.643 0.445) 5.176 7.273 ( -1.478 -4.296 2.476) 5.174 8.476 ( 4.168 1.733 -2.382) 5.104 8.618 ( 4.251 -6.396 0.170) 7.682 8.718 ( 4.046 -4.692 2.179) 6.568 9.671 ( 3.116 -1.679 -3.230) 4.792 9.759 ( -2.611 4.255 5.231) 7.231 9.996 ( 3.720 1.321 1.876) 4.371 10.173 ( -3.775 -5.425 1.428) 6.761 10.257 ( -3.923 -5.565 4.764) 8.310 10.666 ( 2.863 1.999 -10.938) 11.482 11.140 ( -2.490 -1.387 -8.536) 8.999 11.442 ( -2.309 4.953 -4.284) 6.944 11.617 ( -1.798 -6.470 1.718) 6.932 12.143 ( -5.600 10.457 1.171) 11.919 12.380 ( -1.993 0.023 7.161) 7.433 12.931 ( -2.343 1.219 -4.253) 5.006 13.355 ( -0.560 -14.091 1.046) 14.141 13.579 ( 13.595 0.303 3.501) 14.042 14.122 ( -6.021 -0.703 2.084) 6.410 14.418 ( 0.061 -6.148 -10.190) 11.901 14.766 ( 5.003 4.205 1.027) 6.615 15.222 ( -12.015 -1.061 1.204) 12.121 16.425 ( 4.242 -1.528 -5.259) 6.927 16.575 ( 2.500 1.518 4.485) 5.354 16.852 ( -2.291 6.394 5.800) 8.931 17.659 ( -1.329 -11.064 -2.090) 11.338 17.735 ( -6.401 -6.928 -1.293) 9.521 18.219 ( 5.471 5.315 -3.350) 8.331 18.532 ( -1.329 3.242 7.223) 8.028 18.799 ( 4.595 7.715 -3.117) 9.505 19.229 ( -1.870 5.431 -3.716) 6.841 19.891 ( 2.162 -2.420 0.200) 3.252 20.446 ( 0.911 0.528 4.184) 4.314 20.954 ( -0.481 -0.440 0.041) 0.653 ======================= Grid point 37 (29/90) ======================= q-point: ( 0.38 -0.50 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 5.099 -6.338 -7.686) 11.191 2.227 ( 6.559 -5.977 2.254) 9.156 2.677 ( 4.144 -1.345 0.609) 4.399 2.796 ( -7.169 2.903 -0.804) 7.777 2.859 ( -0.692 4.499 7.101) 8.435 3.014 ( -1.959 2.468 3.768) 4.912 3.265 ( 4.031 -2.820 -2.587) 5.558 3.364 ( -2.548 4.192 -0.623) 4.945 3.637 ( -7.222 9.182 13.643) 17.961 3.771 ( 5.885 -8.458 -0.913) 10.345 4.078 ( 2.384 -5.230 -7.391) 9.363 4.312 ( 3.835 2.123 0.177) 4.387 4.369 ( 1.397 -1.979 -6.123) 6.585 4.584 ( -5.748 -3.387 -0.982) 6.743 4.842 ( -1.747 -3.032 -6.382) 7.279 5.220 ( 4.509 -1.291 4.402) 6.433 5.432 ( -3.238 6.817 7.563) 10.684 5.505 ( 2.166 2.196 -0.227) 3.093 5.963 ( 3.803 7.461 2.939) 8.875 6.106 ( -2.005 -1.892 -4.021) 4.875 6.356 ( -2.932 -4.899 -3.744) 6.827 6.786 ( -2.422 -6.799 -1.024) 7.290 7.108 ( -2.785 1.406 -1.024) 3.284 7.276 ( 0.069 -0.178 1.050) 1.067 8.464 ( -0.122 -1.567 -2.193) 2.698 8.490 ( 1.926 -3.061 -6.324) 7.285 9.013 ( 10.439 -0.462 15.143) 18.399 9.649 ( 1.027 -0.863 -4.031) 4.248 9.811 ( -2.108 0.938 0.954) 2.497 10.039 ( -0.390 0.187 -1.934) 1.982 10.082 ( -0.170 -1.454 3.029) 3.364 10.253 ( -4.492 -5.955 4.617) 8.773 10.552 ( 1.089 2.160 -9.502) 9.805 11.017 ( -0.209 -0.810 -4.510) 4.587 11.293 ( -7.112 1.852 -7.062) 10.193 11.782 ( 13.717 -3.129 9.682) 17.079 12.135 ( -3.963 4.496 -0.447) 6.010 12.394 ( -10.877 5.589 0.072) 12.229 12.864 ( -1.532 -1.361 1.353) 2.456 13.250 ( -1.527 -7.474 1.031) 7.698 13.648 ( 3.790 -5.452 -8.731) 10.968 14.130 ( -1.550 1.635 3.547) 4.202 14.383 ( 8.915 -0.403 1.177) 9.001 14.834 ( -0.603 0.587 0.487) 0.972 15.074 ( -8.309 -0.048 -1.047) 8.375 16.412 ( 4.322 -0.868 -3.524) 5.643 16.550 ( -3.443 -3.823 0.135) 5.147 17.060 ( 1.534 10.268 10.164) 14.529 17.512 ( -4.049 -6.727 -5.576) 9.630 17.612 ( -0.268 -5.230 -1.583) 5.471 18.267 ( 3.254 1.420 -1.321) 3.788 18.580 ( -1.763 2.409 0.099) 2.987 18.957 ( 6.281 4.649 6.627) 10.246 19.199 ( -1.870 6.209 -3.996) 7.617 19.803 ( -2.774 -5.799 -4.294) 7.731 20.550 ( 2.375 1.507 4.037) 4.920 20.943 ( -0.558 -0.285 -0.086) 0.633 ======================= Grid point 38 (30/90) ======================= q-point: (-0.50 0.50 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.000 -0.000 -0.000) 0.000 2.278 ( 0.000 0.000 -0.000) 0.000 2.713 ( 0.000 -0.000 -0.000) 0.000 2.732 ( -0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 -0.000 -0.000) 0.000 3.291 ( -0.000 0.000 -0.000) 0.000 3.309 ( 0.000 -0.000 0.000) 0.000 3.766 ( -0.000 0.000 0.000) 0.000 3.775 ( 0.000 -0.000 -0.000) 0.000 3.989 ( 0.000 -0.000 -0.000) 0.000 4.317 ( 0.000 0.000 -0.000) 0.000 4.359 ( 0.000 -0.000 -0.000) 0.000 4.526 ( 0.000 0.000 -0.000) 0.000 4.765 ( 0.000 -0.000 -0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 5.502 ( -0.000 -0.000 0.000) 0.000 5.537 ( 0.000 0.000 -0.000) 0.000 6.043 ( 0.000 -0.000 0.000) 0.000 6.105 ( 0.000 -0.000 0.000) 0.000 6.232 ( 0.000 -0.000 0.000) 0.000 6.737 ( 0.000 0.000 -0.000) 0.000 7.078 ( 0.000 -0.000 0.000) 0.000 7.285 ( 0.000 0.000 -0.000) 0.000 8.422 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 -0.000) 0.000 9.256 ( 0.000 0.000 -0.000) 0.000 9.566 ( 0.000 -0.000 -0.000) 0.000 9.786 ( 0.000 0.000 0.000) 0.000 10.019 ( 0.000 -0.000 0.000) 0.000 10.163 ( 0.000 -0.000 0.000) 0.000 10.183 ( 0.000 -0.000 -0.000) 0.000 10.502 ( 0.000 -0.000 -0.000) 0.000 10.989 ( 0.000 0.000 -0.000) 0.000 11.188 ( 0.000 -0.000 0.000) 0.000 12.039 ( 0.000 -0.000 0.000) 0.000 12.091 ( -0.000 0.000 -0.000) 0.000 12.257 ( 0.000 -0.000 -0.000) 0.000 12.875 ( 0.000 0.000 0.000) 0.000 13.237 ( 0.000 -0.000 -0.000) 0.000 13.546 ( 0.000 -0.000 -0.000) 0.000 14.145 ( 0.000 -0.000 -0.000) 0.000 14.518 ( 0.000 0.000 -0.000) 0.000 14.792 ( 0.000 -0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 16.417 ( 0.000 0.000 0.000) 0.000 16.507 ( 0.000 -0.000 0.000) 0.000 17.241 ( 0.000 0.000 0.000) 0.000 17.356 ( 0.000 -0.000 -0.000) 0.000 17.585 ( 0.000 0.000 -0.000) 0.000 18.287 ( 0.000 0.000 -0.000) 0.000 18.571 ( 0.000 -0.000 -0.000) 0.000 19.131 ( 0.000 -0.000 0.000) 0.000 19.138 ( -0.000 0.000 -0.000) 0.000 19.710 ( 0.000 -0.000 -0.000) 0.000 20.603 ( 0.000 0.000 0.000) 0.000 20.937 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 76 (31/90) ======================= q-point: ( 0.12 0.12 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 -0.000 29.119) 29.119 1.294 ( 0.000 -0.000 29.119) 29.119 2.414 ( 0.000 -0.000 53.472) 53.472 2.818 ( 0.000 -0.000 4.089) 4.089 2.818 ( 0.000 -0.000 4.089) 4.089 2.824 ( -0.000 0.000 -9.297) 9.297 3.264 ( -0.000 0.000 -8.728) 8.728 3.264 ( -0.000 0.000 -8.728) 8.728 3.340 ( -0.000 0.000 -11.945) 11.945 3.577 ( 0.000 -0.000 6.690) 6.690 4.095 ( 0.000 0.000 -5.352) 5.352 4.095 ( -0.000 0.000 -5.352) 5.352 4.739 ( 0.000 -0.000 0.590) 0.590 4.739 ( -0.000 -0.000 0.590) 0.590 4.880 ( -0.000 0.000 -5.143) 5.143 5.570 ( 0.000 0.000 -1.259) 1.259 5.570 ( -0.000 -0.000 -1.259) 1.259 5.683 ( -0.000 0.000 -12.037) 12.037 6.035 ( -0.000 0.000 -2.627) 2.627 6.299 ( 0.000 -0.000 8.506) 8.506 6.299 ( 0.000 -0.000 8.506) 8.506 6.617 ( 0.000 -0.000 6.783) 6.783 7.371 ( 0.000 0.000 -6.697) 6.697 7.371 ( -0.000 0.000 -6.697) 6.697 8.387 ( 0.000 -0.000 16.002) 16.002 8.387 ( 0.000 -0.000 16.002) 16.002 8.419 ( 0.000 -0.000 8.370) 8.370 9.740 ( 0.000 0.000 -0.744) 0.744 9.740 ( -0.000 0.000 -0.744) 0.744 10.007 ( 0.000 -0.000 8.432) 8.432 10.238 ( 0.000 0.000 -11.805) 11.805 10.238 ( -0.000 0.000 -11.805) 11.805 11.385 ( 0.000 0.000 0.005) 0.005 11.385 ( -0.000 -0.000 0.005) 0.005 11.586 ( -0.000 0.000 -15.835) 15.835 11.929 ( -0.000 0.000 -3.795) 3.795 11.929 ( -0.000 0.000 -3.795) 3.795 12.363 ( -0.000 0.000 -18.448) 18.448 13.382 ( 0.000 -0.000 3.863) 3.863 13.382 ( 0.000 -0.000 3.863) 3.863 13.660 ( 0.000 -0.000 9.759) 9.759 14.104 ( 0.000 -0.000 1.439) 1.439 14.754 ( 0.000 -0.000 8.913) 8.913 14.798 ( 0.000 0.000 -3.226) 3.226 14.798 ( -0.000 0.000 -3.226) 3.226 16.513 ( 0.000 0.000 -1.655) 1.655 16.513 ( -0.000 0.000 -1.655) 1.655 16.572 ( -0.000 0.000 -1.281) 1.281 17.621 ( 0.000 -0.000 11.699) 11.699 17.621 ( 0.000 -0.000 11.699) 11.699 18.261 ( 0.000 -0.000 4.251) 4.251 18.597 ( 0.000 0.000 -12.698) 12.698 18.597 ( -0.000 0.000 -12.698) 12.698 19.611 ( -0.000 0.000 -6.994) 6.994 19.893 ( 0.000 -0.000 8.747) 8.747 19.893 ( -0.000 -0.000 8.747) 8.747 20.981 ( -0.000 0.000 -0.241) 0.241 ======================= Grid point 77 (32/90) ======================= q-point: ( 0.25 0.12 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 1.520 -0.910 26.624) 26.682 1.835 ( 10.745 4.725 24.962) 27.584 2.594 ( -4.022 -1.216 -10.833) 11.619 2.853 ( 1.761 -4.237 -1.563) 4.847 2.881 ( -2.133 1.762 6.837) 7.376 3.073 ( -6.848 -1.879 -6.828) 9.851 3.169 ( 1.152 -2.869 -5.180) 6.032 3.211 ( -1.152 4.439 -5.680) 7.300 3.288 ( 10.475 6.230 43.923) 45.582 3.645 ( -3.925 2.643 2.795) 5.496 3.897 ( -1.587 -8.258 -2.749) 8.847 4.230 ( 12.654 10.179 -3.483) 16.609 4.603 ( -11.620 -2.233 -2.915) 12.187 4.697 ( -1.475 -3.776 -2.337) 4.679 4.929 ( 6.635 1.366 -3.429) 7.593 5.352 ( -7.850 -6.350 -12.363) 15.962 5.528 ( 0.945 0.418 -2.320) 2.540 5.669 ( 6.071 6.134 -6.297) 10.683 5.958 ( -4.451 -3.259 -4.436) 7.079 6.314 ( -4.664 -3.037 3.280) 6.460 6.416 ( 1.773 1.597 2.839) 3.709 6.749 ( 3.141 1.253 7.009) 7.782 7.237 ( -2.329 -1.898 -4.475) 5.390 7.349 ( 2.169 2.458 -3.651) 4.907 8.423 ( -5.850 -9.531 12.027) 16.423 8.584 ( -5.943 9.003 12.313) 16.370 8.777 ( 12.671 0.201 15.482) 20.007 9.631 ( -2.885 0.935 -11.660) 12.048 9.721 ( 3.382 0.355 -7.374) 8.121 9.967 ( -8.507 -6.846 -0.109) 10.920 10.122 ( -1.425 -1.069 8.857) 9.035 10.295 ( 8.372 6.412 -1.724) 10.685 11.082 ( -11.315 -13.392 -3.880) 17.957 11.353 ( -7.715 12.172 -4.098) 14.983 11.646 ( 16.540 1.758 -13.436) 21.382 11.817 ( -3.846 -3.070 -4.443) 6.630 11.891 ( 0.053 -2.478 -4.026) 4.728 12.155 ( 4.518 5.301 -13.979) 15.618 13.310 ( -14.586 -6.211 5.839) 16.894 13.408 ( 0.749 -9.554 5.050) 10.833 13.765 ( -2.754 -2.313 3.821) 5.247 14.070 ( -6.676 9.056 6.783) 13.138 14.640 ( 2.030 -13.444 -5.186) 14.552 14.887 ( 4.516 -2.428 3.482) 6.198 14.941 ( 7.174 17.879 -7.110) 20.534 16.383 ( -9.391 -0.594 2.222) 9.668 16.515 ( 3.217 -5.761 2.853) 7.189 16.701 ( 7.589 6.972 -3.392) 10.849 17.725 ( -0.825 -2.000 7.947) 8.237 17.843 ( 3.515 3.474 9.899) 11.064 18.252 ( -4.385 -5.171 1.364) 6.915 18.375 ( -2.841 3.246 -7.873) 8.977 18.574 ( 9.582 2.860 -9.753) 13.969 19.456 ( -5.389 -0.936 -6.349) 8.381 19.887 ( -6.650 -5.550 7.774) 11.639 20.162 ( 9.607 5.921 5.642) 12.617 20.974 ( -0.252 -0.153 -0.366) 0.470 ======================= Grid point 78 (33/90) ======================= q-point: ( 0.38 0.12 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 8.626 2.270 22.117) 23.848 2.300 ( 7.933 0.896 12.580) 14.899 2.362 ( -4.785 1.826 -6.847) 8.550 2.759 ( -7.102 -7.169 -3.512) 10.685 2.855 ( -1.784 -3.264 -5.237) 6.424 2.904 ( -3.902 -1.727 -1.132) 4.415 3.157 ( -1.330 1.766 -0.781) 2.344 3.172 ( 3.851 0.595 -0.096) 3.898 3.574 ( -8.458 4.440 2.153) 9.792 3.898 ( 7.745 -4.165 4.905) 10.069 4.061 ( 4.916 6.163 27.427) 28.538 4.349 ( -7.989 6.859 -1.348) 10.615 4.468 ( 6.800 3.737 -2.465) 8.142 4.569 ( -1.297 -8.197 -6.955) 10.828 4.890 ( -3.782 -3.118 2.014) 5.299 5.135 ( 4.553 -1.283 -10.223) 11.265 5.512 ( 1.444 -0.912 -5.515) 5.773 5.707 ( 3.125 1.247 -2.285) 4.068 5.722 ( -11.015 1.738 -7.770) 13.591 6.290 ( -0.095 -2.862 0.788) 2.970 6.437 ( 1.622 0.420 -3.895) 4.240 6.872 ( 4.322 1.263 2.192) 5.007 7.149 ( -2.337 -1.704 -2.817) 4.037 7.371 ( 1.286 2.492 0.659) 2.881 8.424 ( -6.083 -9.450 9.473) 14.699 8.673 ( -7.676 2.732 5.888) 10.053 9.039 ( 2.858 2.100 -0.359) 3.565 9.483 ( 2.225 1.875 -1.477) 3.263 9.666 ( 4.909 -0.206 -7.458) 8.931 9.914 ( -2.305 -4.418 6.308) 8.039 10.197 ( -4.396 -1.673 9.871) 10.934 10.448 ( 5.520 5.708 0.135) 7.942 10.813 ( -7.252 -8.386 -6.746) 12.978 11.271 ( -4.342 11.140 -7.789) 14.269 11.610 ( -0.756 4.036 -9.623) 10.462 11.690 ( 5.897 -0.272 -10.360) 11.924 11.812 ( 3.201 -7.976 -1.460) 8.717 12.220 ( 9.790 8.044 -0.946) 12.706 13.124 ( -14.404 -11.914 6.051) 19.647 13.402 ( -1.457 -10.754 5.672) 12.245 13.705 ( -7.873 1.305 1.616) 8.143 14.207 ( -1.663 13.940 3.584) 14.489 14.487 ( 4.904 -16.495 -6.543) 18.411 14.884 ( -3.394 8.875 -6.975) 11.787 15.094 ( 10.671 5.505 -0.521) 12.019 16.331 ( -4.049 -4.341 5.695) 8.226 16.535 ( -1.628 -0.777 -0.183) 1.813 16.803 ( 5.069 4.298 1.671) 6.853 17.759 ( 2.052 -2.698 -2.141) 4.009 17.972 ( 3.297 1.278 -1.286) 3.763 18.151 ( -6.266 -4.973 1.201) 8.090 18.399 ( -0.140 10.087 6.428) 11.962 18.598 ( 7.714 -0.290 -5.028) 9.212 19.305 ( -4.171 0.820 -6.193) 7.512 19.854 ( -5.443 -7.930 6.660) 11.699 20.363 ( 5.337 4.572 3.143) 7.698 20.965 ( -0.117 -0.054 -0.319) 0.344 ======================= Grid point 79 (34/90) ======================= q-point: (-0.50 0.12 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -14.171 0.409 -14.840) 20.523 2.313 ( -9.414 -6.395 -1.561) 11.487 2.598 ( 9.987 -2.753 9.800) 14.260 2.658 ( 1.747 -0.346 2.802) 3.320 2.739 ( -6.371 -1.052 7.312) 9.756 2.892 ( 6.149 -0.173 -0.837) 6.208 3.177 ( 1.047 -0.520 3.129) 3.341 3.267 ( 6.398 0.327 1.704) 6.630 3.560 ( -7.312 2.429 5.167) 9.277 3.943 ( -11.773 -1.655 -7.307) 13.955 4.014 ( -3.214 -0.423 2.340) 3.998 4.353 ( -1.275 -0.688 -7.295) 7.437 4.438 ( 1.738 -2.671 -4.083) 5.179 4.722 ( 8.229 2.658 12.689) 15.355 5.014 ( -4.394 1.670 7.566) 8.907 5.058 ( 5.124 0.939 -3.848) 6.476 5.354 ( 1.124 0.756 -3.993) 4.216 5.634 ( 1.681 -0.086 -0.580) 1.781 5.735 ( 0.067 7.433 -3.237) 8.108 6.269 ( 0.038 -3.691 -0.741) 3.765 6.381 ( 2.441 0.359 -7.105) 7.521 6.950 ( 8.558 -1.596 -3.244) 9.290 7.060 ( -5.295 -0.020 -1.206) 5.431 7.423 ( 0.031 2.369 2.359) 3.343 8.371 ( -5.548 -7.276 2.810) 9.572 8.596 ( -7.149 -6.875 1.475) 10.028 8.927 ( -8.188 7.258 -9.301) 14.361 9.615 ( 5.140 -0.126 0.014) 5.142 9.681 ( 5.510 -0.303 4.215) 6.944 9.938 ( -1.998 -3.939 3.046) 5.365 10.283 ( -3.404 -1.020 12.127) 12.637 10.460 ( -0.589 3.451 -6.978) 7.807 10.565 ( -4.789 -4.735 -9.688) 11.799 11.222 ( -0.826 9.548 -6.779) 11.739 11.530 ( 2.090 7.176 -6.493) 9.901 11.673 ( 5.580 1.839 -5.207) 7.851 11.855 ( 11.943 -6.838 2.159) 13.930 12.447 ( 8.711 8.848 5.602) 13.621 12.932 ( -11.066 -10.486 3.306) 15.600 13.354 ( -5.812 -8.803 4.618) 11.515 13.655 ( -5.784 3.051 1.966) 6.829 14.242 ( 2.898 -4.509 -7.972) 9.606 14.385 ( -0.593 -1.043 -0.046) 1.201 14.799 ( -3.644 10.238 -7.436) 13.168 15.278 ( 11.298 3.372 0.807) 11.818 16.361 ( 0.141 -7.350 8.485) 11.226 16.450 ( -4.645 -0.568 -4.120) 6.235 16.936 ( 0.539 6.732 4.495) 8.113 17.704 ( 7.853 -3.577 -9.955) 13.175 17.963 ( 1.144 0.912 -4.260) 4.505 18.043 ( -8.614 -4.152 2.225) 9.818 18.575 ( 3.705 2.683 0.651) 4.621 18.677 ( 0.294 7.260 10.229) 12.547 19.188 ( -0.894 0.542 -6.587) 6.669 19.813 ( -3.499 -9.409 5.641) 11.515 20.459 ( 0.973 2.702 0.873) 3.001 20.963 ( 0.191 0.176 -0.070) 0.269 ======================= Grid point 80 (35/90) ======================= q-point: (-0.38 0.12 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -21.055 0.270 -17.084) 27.116 1.934 ( -17.451 -17.093 -7.001) 25.412 2.542 ( -6.433 -3.371 -1.198) 7.361 2.843 ( 1.482 -0.856 2.994) 3.449 2.886 ( -0.221 2.400 9.038) 9.354 2.965 ( 6.030 -0.974 -1.008) 6.191 3.196 ( -4.565 -1.442 -1.654) 5.066 3.368 ( 1.688 -1.961 3.885) 4.667 3.521 ( -3.788 -6.207 7.483) 10.434 3.768 ( -2.603 0.268 4.430) 5.145 3.999 ( -4.786 3.111 1.796) 5.984 4.282 ( 1.454 5.290 -6.764) 8.709 4.386 ( 4.925 -4.630 -2.876) 7.346 4.844 ( -1.641 -1.851 -5.197) 5.756 4.927 ( 2.627 8.341 -7.670) 11.632 5.189 ( 7.148 -0.195 10.093) 12.370 5.577 ( 10.905 6.915 2.769) 13.206 5.638 ( -0.034 -2.771 -0.457) 2.808 5.755 ( -0.956 11.004 1.540) 11.152 6.198 ( -4.171 -4.313 -1.395) 6.160 6.353 ( 5.302 -2.495 -2.343) 6.311 6.898 ( -2.517 -5.896 -5.047) 8.159 7.067 ( 5.010 4.546 -0.969) 6.834 7.470 ( 0.155 3.135 1.437) 3.452 8.246 ( -3.854 -2.774 -5.558) 7.310 8.476 ( -6.925 -13.858 6.759) 16.903 8.726 ( -11.853 5.319 -7.610) 15.057 9.618 ( 1.058 0.493 -3.383) 3.578 9.798 ( 0.634 -1.867 4.070) 4.523 9.861 ( -3.300 -4.842 -2.253) 6.278 10.281 ( -7.014 2.039 -7.850) 10.722 10.417 ( 3.767 0.105 -4.362) 5.764 10.485 ( 2.149 1.229 8.888) 9.227 11.174 ( 1.743 3.697 -7.333) 8.395 11.600 ( 3.803 12.015 -1.249) 12.664 11.722 ( 6.270 3.690 -1.428) 7.414 12.065 ( 21.430 -8.707 3.353) 23.373 12.657 ( -7.256 9.555 4.519) 12.821 12.833 ( 3.631 -3.790 5.867) 7.872 13.234 ( -8.698 -4.459 -0.920) 9.817 13.641 ( -5.384 2.712 2.440) 6.504 14.077 ( 1.672 -14.243 -7.406) 16.140 14.377 ( -1.637 4.121 -2.286) 4.989 14.765 ( -0.505 8.211 -3.553) 8.961 15.456 ( 10.488 3.903 -0.115) 11.192 16.313 ( -4.664 -2.440 -3.984) 6.602 16.455 ( 2.444 -6.600 9.297) 11.660 17.014 ( -3.590 8.956 1.212) 9.725 17.661 ( 7.739 -4.233 -7.813) 11.784 17.905 ( 0.552 -0.000 -6.318) 6.342 17.937 ( -6.511 -2.050 1.681) 7.030 18.600 ( 0.838 -3.745 1.704) 4.199 18.898 ( -5.786 12.700 9.629) 16.955 19.133 ( 6.014 -0.997 -2.507) 6.591 19.781 ( -1.696 -9.182 5.056) 10.618 20.456 ( -2.482 0.866 -1.767) 3.168 20.970 ( 0.395 0.293 0.121) 0.506 ======================= Grid point 81 (36/90) ======================= q-point: (-0.25 0.12 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -25.121 -0.971 -11.413) 27.609 1.435 ( -17.566 -25.461 -8.076) 31.969 2.328 ( -28.711 -12.400 10.251) 32.912 2.813 ( -4.062 0.461 0.337) 4.102 2.907 ( -5.382 -4.726 0.384) 7.173 3.003 ( 3.655 -2.027 -1.138) 4.332 3.053 ( -3.677 1.200 -0.601) 3.914 3.420 ( 2.886 0.830 1.560) 3.384 3.575 ( 0.731 0.419 -0.869) 1.210 3.928 ( 7.263 3.033 7.784) 11.070 4.026 ( -1.078 1.081 0.925) 1.785 4.238 ( -0.792 1.493 -3.738) 4.102 4.455 ( 11.276 2.094 -2.466) 11.731 4.744 ( -4.517 0.708 -0.520) 4.602 4.947 ( 11.647 4.524 -5.610) 13.696 5.445 ( 5.293 -0.174 5.903) 7.931 5.592 ( 3.150 5.637 -5.560) 8.521 5.675 ( 4.334 6.889 -4.373) 9.239 5.942 ( 5.664 3.305 5.484) 8.549 6.070 ( -7.084 -4.417 0.259) 8.352 6.409 ( 5.262 -3.689 2.572) 6.921 6.718 ( -10.834 -4.400 -1.844) 11.838 7.167 ( 8.902 4.623 -3.292) 10.557 7.513 ( 1.212 3.062 -0.572) 3.342 8.113 ( -4.139 1.237 -3.756) 5.724 8.379 ( -6.599 -15.504 7.540) 18.460 8.495 ( -13.278 -0.204 -3.185) 13.656 9.571 ( 0.851 -0.830 -3.532) 3.726 9.758 ( -2.935 -0.179 -1.196) 3.174 9.814 ( -1.959 -1.367 0.689) 2.486 10.097 ( -5.977 -4.165 -1.522) 7.442 10.443 ( 4.942 4.692 -5.835) 8.971 10.635 ( 2.228 1.288 4.749) 5.401 11.173 ( 6.129 1.477 -1.950) 6.599 11.726 ( 0.090 13.319 0.924) 13.352 11.862 ( 12.651 2.051 -0.792) 12.840 12.341 ( 24.125 -12.881 3.850) 27.618 12.609 ( -9.270 12.302 0.983) 15.435 13.024 ( -2.383 1.682 -13.967) 14.268 13.062 ( -0.330 0.627 14.689) 14.706 13.598 ( -9.463 4.030 1.590) 10.408 13.872 ( -3.434 -15.544 -4.633) 16.579 14.368 ( 1.982 1.620 -0.847) 2.697 14.798 ( 2.062 3.378 -0.461) 3.984 15.602 ( 9.181 5.242 -3.173) 11.038 16.187 ( -4.480 -2.412 -2.489) 5.664 16.569 ( 2.968 -5.213 7.794) 9.835 17.046 ( -2.334 10.723 -0.185) 10.976 17.574 ( 0.392 -13.279 -2.979) 13.614 17.799 ( -5.632 6.800 -9.134) 12.704 17.928 ( 4.669 2.016 -0.863) 5.158 18.610 ( -2.814 -6.834 8.270) 11.091 18.903 ( -1.373 1.607 -5.417) 5.815 19.325 ( 4.975 7.971 10.993) 14.461 19.768 ( -2.009 -5.735 4.447) 7.530 20.361 ( -4.153 -1.615 -5.302) 6.926 20.977 ( 0.370 0.229 -0.180) 0.471 ======================= Grid point 82 (37/90) ======================= q-point: (-0.12 0.12 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -13.759 -9.553 15.226) 22.636 0.935 ( -17.014 -26.120 4.090) 31.440 1.981 ( -43.278 -16.119 29.133) 54.603 2.768 ( -2.716 -1.869 -0.839) 3.402 2.813 ( -3.595 -2.677 2.442) 5.105 2.986 ( -0.292 0.542 -2.842) 2.908 3.117 ( 7.848 3.711 -0.676) 8.708 3.480 ( 4.423 1.217 -1.868) 4.953 3.514 ( -1.980 4.428 -7.572) 8.992 3.867 ( -4.212 -4.094 -13.432) 14.660 4.149 ( 7.768 -1.858 2.790) 8.460 4.182 ( -2.948 4.877 -2.083) 6.067 4.597 ( 11.429 4.384 -4.792) 13.145 4.725 ( -0.804 1.209 1.102) 1.823 5.187 ( 9.663 4.344 7.719) 13.108 5.391 ( -2.076 -3.282 -7.049) 8.048 5.611 ( 6.008 -1.774 -7.861) 10.051 5.758 ( 1.418 10.501 -0.255) 10.599 5.932 ( 0.390 -7.482 0.462) 7.507 6.123 ( 2.011 2.205 3.497) 4.597 6.452 ( -0.462 0.673 -2.963) 3.073 6.516 ( -13.342 -4.664 4.026) 14.696 7.303 ( 12.862 3.726 -2.115) 13.557 7.515 ( 0.075 3.137 -3.348) 4.588 8.071 ( -4.375 3.461 2.298) 6.033 8.284 ( -7.046 -2.886 2.920) 8.155 8.348 ( -8.762 -12.344 12.184) 19.432 9.605 ( 6.085 -0.255 2.882) 6.738 9.746 ( -1.141 1.253 3.557) 3.940 9.788 ( -0.424 0.101 0.854) 0.958 10.125 ( 1.588 -1.324 17.702) 17.822 10.412 ( 4.108 4.048 -11.782) 13.118 10.692 ( 2.044 0.861 -0.528) 2.280 11.279 ( 4.250 3.243 2.575) 5.933 11.832 ( 2.860 10.145 -1.336) 10.625 11.992 ( 8.000 -3.048 -1.553) 8.701 12.556 ( 6.268 8.913 -1.014) 10.944 12.684 ( -2.615 -10.324 -12.240) 16.225 12.785 ( 12.832 2.674 1.759) 13.225 13.250 ( 1.489 4.058 3.840) 5.782 13.526 ( -6.924 -1.112 5.487) 8.904 13.657 ( -11.252 -3.554 1.962) 11.961 14.447 ( 4.226 0.583 4.585) 6.262 14.836 ( 3.524 -3.287 0.013) 4.819 15.620 ( 0.657 3.461 -13.737) 14.181 16.130 ( -0.699 0.138 3.720) 3.788 16.641 ( 1.152 -3.590 2.454) 4.498 17.116 ( -0.253 10.920 -3.042) 11.338 17.419 ( 2.285 -16.793 -4.804) 17.616 17.600 ( -15.178 5.691 -2.979) 16.481 18.031 ( 6.831 5.411 -0.381) 8.723 18.682 ( -1.673 -4.338 12.674) 13.499 18.813 ( 4.832 -5.148 -7.273) 10.136 19.573 ( 2.756 5.461 4.615) 7.663 19.756 ( -9.189 7.677 5.087) 13.010 20.171 ( -2.898 -9.576 -9.268) 13.638 20.977 ( 0.259 0.134 -0.531) 0.606 ======================= Grid point 85 (38/90) ======================= q-point: ( 0.25 0.25 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -1.030 -2.098 23.540) 23.656 2.152 ( -0.813 9.219 21.583) 23.484 2.423 ( 1.460 -2.385 -13.273) 13.565 2.818 ( -3.266 -3.709 -2.815) 5.687 2.909 ( -0.863 -8.070 -2.245) 8.421 3.014 ( 6.241 1.852 -5.489) 8.515 3.110 ( -6.021 -1.290 4.074) 7.383 3.190 ( 2.479 4.878 -2.369) 5.963 3.635 ( 4.848 -8.727 2.031) 10.188 3.931 ( 1.042 8.912 42.361) 43.301 3.961 ( -11.154 5.465 -0.782) 12.446 4.096 ( 7.603 8.722 -3.848) 12.194 4.540 ( 2.145 -12.361 -2.374) 12.768 4.721 ( 1.709 0.136 -3.500) 3.897 4.873 ( -5.379 3.375 -0.795) 6.400 5.156 ( -0.299 -5.622 -15.575) 16.561 5.465 ( -2.511 -1.580 -6.631) 7.264 5.578 ( 4.395 5.576 -2.987) 7.703 5.907 ( 0.074 -0.654 -7.034) 7.065 6.317 ( -0.778 -3.758 -3.690) 5.324 6.408 ( -0.085 1.296 -1.708) 2.145 6.843 ( -0.203 2.195 4.668) 5.163 7.187 ( -0.557 -5.029 -1.115) 5.181 7.309 ( 0.784 2.071 -0.808) 2.357 8.571 ( -3.577 -8.402 8.341) 12.368 8.788 ( 9.116 -1.354 14.527) 17.204 8.909 ( -5.453 3.224 3.834) 7.405 9.479 ( 1.523 -0.428 -5.998) 6.203 9.598 ( -1.756 5.975 -10.132) 11.893 10.038 ( -2.983 -6.338 5.482) 8.895 10.226 ( 4.407 -0.044 2.524) 5.079 10.286 ( -1.467 1.945 8.500) 8.842 10.968 ( -3.254 -14.519 -8.014) 16.900 11.306 ( 11.494 3.763 -7.987) 14.493 11.477 ( -5.592 15.431 -12.449) 20.600 11.695 ( 1.879 -8.417 -12.538) 15.218 11.864 ( -7.403 -2.920 2.874) 8.461 12.025 ( 3.620 11.825 -5.998) 13.744 13.357 ( 3.336 -15.435 5.463) 16.710 13.496 ( -9.038 -5.844 4.019) 11.489 13.831 ( 0.228 2.205 1.964) 2.962 14.127 ( 10.042 -5.891 6.177) 13.179 14.535 ( -12.486 -4.232 -9.720) 16.380 14.813 ( 9.034 5.093 -1.606) 10.494 14.940 ( -1.553 8.758 -4.391) 9.920 16.499 ( 4.327 -0.475 6.168) 7.550 16.514 ( -5.860 -1.077 0.742) 6.004 16.670 ( 1.311 3.629 1.884) 4.294 17.762 ( -1.043 -6.226 -0.049) 6.313 17.911 ( -0.241 3.505 -3.517) 4.971 18.225 ( -0.902 -7.762 7.091) 10.552 18.399 ( 6.934 4.335 -1.800) 8.373 18.485 ( -4.854 10.371 -0.780) 11.477 19.356 ( 0.960 -1.720 -8.384) 8.613 20.007 ( -2.155 -5.780 4.481) 7.624 20.226 ( 1.264 6.780 7.249) 10.006 20.966 ( 0.003 -0.222 -0.650) 0.687 ======================= Grid point 86 (39/90) ======================= q-point: ( 0.38 0.25 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.131 -1.246 -9.708) 9.789 2.272 ( 3.168 0.933 16.632) 16.956 2.433 ( 0.126 -0.262 6.218) 6.225 2.686 ( -1.839 -3.688 -2.095) 4.623 2.811 ( -1.806 -6.322 3.566) 7.480 3.009 ( -2.029 -1.235 -0.933) 2.552 3.133 ( -3.037 5.703 2.335) 6.870 3.190 ( -0.878 0.307 0.627) 1.122 3.680 ( 4.142 -3.820 0.856) 5.700 3.896 ( -3.785 5.457 3.972) 7.738 4.237 ( 8.636 4.556 -7.887) 12.551 4.353 ( -3.219 -1.042 1.537) 3.716 4.476 ( -4.939 -4.361 3.361) 7.396 4.674 ( -4.309 3.358 9.917) 11.322 4.855 ( 6.941 -5.419 -1.600) 8.950 4.985 ( -0.183 0.526 3.837) 3.877 5.364 ( 2.709 -1.624 -7.941) 8.546 5.655 ( 4.583 3.667 -1.218) 5.995 5.759 ( -6.345 5.227 -8.409) 11.760 6.212 ( 1.390 -3.871 -5.384) 6.776 6.371 ( -0.348 3.275 -6.016) 6.858 6.856 ( -0.674 -2.139 -2.187) 3.133 7.138 ( -1.807 -3.458 1.398) 4.145 7.360 ( 3.709 0.233 1.589) 4.041 8.537 ( -5.802 -8.230 4.061) 10.858 8.780 ( -4.816 -6.289 -4.888) 9.308 9.022 ( 2.391 4.787 2.087) 5.744 9.489 ( 0.907 3.516 0.776) 3.713 9.571 ( 2.129 3.147 2.649) 4.632 10.010 ( -4.688 -4.483 5.337) 8.400 10.304 ( 5.151 -3.561 -0.725) 6.304 10.414 ( 0.603 0.122 7.994) 8.018 10.710 ( -4.087 -8.589 -9.740) 13.614 11.282 ( 3.194 6.734 -10.687) 13.029 11.443 ( 3.422 -1.866 -13.353) 13.911 11.471 ( -0.410 13.104 -8.794) 15.786 11.843 ( -4.994 -2.588 7.731) 9.561 12.152 ( 10.028 8.118 0.440) 12.910 13.269 ( -11.345 -18.338 5.517) 22.258 13.396 ( 0.904 -10.036 4.436) 11.010 13.847 ( -6.604 3.946 2.427) 8.067 14.194 ( 2.735 -15.236 -8.910) 17.861 14.356 ( 0.169 9.289 2.106) 9.526 14.866 ( -1.133 5.051 -7.692) 9.272 14.968 ( 10.268 7.560 -3.542) 13.233 16.447 ( -5.642 -3.242 4.716) 8.036 16.551 ( -2.745 -0.763 -1.205) 3.094 16.832 ( 6.778 4.109 8.779) 11.828 17.614 ( -1.496 -3.985 -10.365) 11.205 17.865 ( 4.102 0.054 -7.014) 8.126 18.257 ( -5.507 -3.831 5.285) 8.540 18.471 ( 3.510 3.433 0.199) 4.914 18.635 ( 1.949 9.457 11.785) 15.235 19.239 ( -0.853 0.754 -7.987) 8.068 19.940 ( -5.513 -9.008 3.401) 11.095 20.398 ( 2.981 5.910 4.208) 7.844 20.956 ( 0.225 -0.065 -0.696) 0.734 ======================= Grid point 87 (40/90) ======================= q-point: (-0.50 0.25 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -8.491 -0.021 -14.444) 16.755 2.250 ( -7.636 -13.949 -9.051) 18.298 2.612 ( 5.492 0.851 11.994) 13.219 2.697 ( 0.070 0.424 5.902) 5.918 2.854 ( 0.849 0.804 1.846) 2.185 2.986 ( -6.199 0.548 8.250) 10.333 3.180 ( 6.064 -0.523 1.165) 6.197 3.228 ( -1.119 2.762 3.633) 4.699 3.716 ( 1.150 -2.478 2.770) 3.890 3.940 ( -4.430 4.178 -1.722) 6.328 4.097 ( -3.258 1.021 -7.619) 8.350 4.286 ( -4.585 -3.012 -2.697) 6.113 4.372 ( -3.577 -1.561 0.317) 3.916 4.666 ( 4.584 -0.346 -11.160) 12.070 4.953 ( 8.666 -5.196 6.617) 12.078 5.192 ( -6.623 -1.494 -7.175) 9.878 5.306 ( 6.065 3.422 14.104) 15.729 5.649 ( -1.331 1.808 0.478) 2.295 5.761 ( 1.535 12.200 -0.667) 12.314 6.171 ( 5.608 -4.038 -2.910) 7.498 6.294 ( -1.052 4.621 -7.336) 8.734 6.764 ( 2.553 -4.746 -7.225) 9.013 7.124 ( -2.278 -0.136 2.227) 3.189 7.427 ( 3.289 -1.783 1.661) 4.093 8.393 ( -6.823 -3.025 -4.906) 8.932 8.642 ( -3.734 -11.652 3.126) 12.628 8.994 ( -7.994 9.033 -5.786) 13.378 9.549 ( 2.377 1.688 -1.410) 3.239 9.714 ( 4.310 -1.340 9.058) 10.121 9.962 ( -3.879 -4.825 0.114) 6.192 10.309 ( 4.186 -0.637 -3.945) 5.787 10.451 ( -4.346 2.709 -12.727) 13.718 10.510 ( -2.420 -8.356 10.428) 13.580 11.224 ( -3.118 4.219 -11.855) 12.964 11.332 ( 12.220 4.744 -6.416) 14.594 11.546 ( 6.781 8.155 -1.927) 10.780 11.859 ( -4.807 -1.216 5.720) 7.570 12.428 ( 14.914 8.990 4.784) 18.059 13.046 ( -11.826 -10.266 1.608) 15.743 13.416 ( -0.734 -11.777 8.437) 14.506 13.760 ( -6.955 -4.758 -1.395) 8.541 14.019 ( 1.792 -5.066 -6.434) 8.383 14.420 ( -1.464 3.323 -1.592) 3.965 14.790 ( -0.488 9.945 -8.502) 13.093 15.133 ( 12.914 4.340 -1.823) 13.745 16.425 ( -4.437 -6.570 2.712) 8.379 16.469 ( -2.744 -0.987 1.265) 3.178 17.072 ( 2.359 7.773 8.203) 11.545 17.447 ( 3.333 -1.085 -10.610) 11.174 17.807 ( 4.954 -2.023 -9.706) 11.083 18.186 ( -8.800 -2.119 2.853) 9.491 18.552 ( 2.162 -1.105 4.343) 4.975 18.931 ( 3.033 9.875 14.046) 17.436 19.120 ( -2.700 1.455 -7.164) 7.793 19.847 ( -3.485 -10.843 3.294) 11.856 20.488 ( -0.187 4.156 0.379) 4.177 20.954 ( 0.684 0.237 -0.520) 0.892 ======================= Grid point 88 (41/90) ======================= q-point: (-0.38 0.25 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -16.510 0.286 -11.944) 20.379 1.859 ( -14.956 -15.945 -8.383) 23.414 2.662 ( -3.745 0.862 4.877) 6.209 2.857 ( 1.570 -0.417 1.497) 2.209 2.889 ( 2.365 1.332 0.848) 2.844 3.028 ( -3.304 -0.284 4.692) 5.746 3.251 ( -2.272 0.534 2.309) 3.283 3.344 ( 8.549 -0.253 4.546) 9.686 3.720 ( -9.702 -3.467 6.473) 12.168 3.838 ( -5.956 -1.553 2.410) 6.610 4.015 ( 0.910 4.365 -8.206) 9.339 4.207 ( 1.765 3.218 -3.256) 4.906 4.329 ( -2.465 -6.530 2.521) 7.421 4.596 ( 10.144 1.476 -11.513) 15.415 4.971 ( -8.133 3.098 -6.207) 10.690 5.159 ( 12.910 -1.250 4.809) 13.833 5.493 ( 3.495 -0.632 1.699) 3.937 5.672 ( -1.328 1.690 1.106) 2.417 5.884 ( -0.167 10.265 2.400) 10.543 6.213 ( -2.257 -2.576 1.648) 3.800 6.221 ( 7.203 -0.417 -3.877) 8.191 6.706 ( 7.071 -1.181 -6.174) 9.461 7.130 ( -2.884 3.328 1.238) 4.574 7.461 ( 2.689 -2.611 0.064) 3.749 8.238 ( -5.558 2.324 -3.763) 7.103 8.559 ( -5.611 -13.781 6.843) 16.378 8.826 ( -11.548 4.788 -6.701) 14.184 9.513 ( 2.223 0.019 -7.023) 7.366 9.844 ( -0.685 -2.816 4.101) 5.021 9.893 ( -3.834 -0.938 3.845) 5.511 10.193 ( -2.005 -0.933 -10.552) 10.781 10.361 ( 2.476 5.450 -4.180) 7.301 10.594 ( -0.272 -4.677 9.725) 10.795 11.079 ( 0.286 3.440 -8.716) 9.374 11.487 ( 12.606 7.814 -3.308) 15.196 11.738 ( 13.475 1.348 4.286) 14.205 11.865 ( -1.570 -1.279 2.926) 3.558 12.748 ( 13.955 8.571 0.469) 16.384 12.868 ( -9.779 0.933 -0.300) 9.828 13.366 ( -11.812 -6.204 5.324) 14.366 13.638 ( 4.629 -17.453 0.180) 18.057 13.959 ( -3.515 3.238 -1.009) 4.884 14.349 ( -0.743 -1.158 -5.070) 5.253 14.773 ( 0.028 8.641 -4.566) 9.773 15.307 ( 12.725 5.364 -3.464) 14.237 16.314 ( -5.127 -4.261 -0.578) 6.691 16.511 ( 0.777 -3.370 6.372) 7.250 17.168 ( -5.229 9.279 -0.062) 10.651 17.449 ( 8.355 0.581 -2.811) 8.834 17.695 ( 5.274 -2.987 -11.437) 12.944 18.099 ( -9.427 0.220 3.364) 10.012 18.627 ( 0.534 -4.325 6.942) 8.196 18.980 ( -3.198 -1.575 -7.065) 7.914 19.236 ( 2.511 9.481 13.006) 16.289 19.793 ( -0.683 -9.834 4.965) 11.038 20.465 ( -3.443 2.546 -3.957) 5.831 20.961 ( 0.860 0.406 -0.503) 1.076 ======================= Grid point 89 (42/90) ======================= q-point: (-0.25 0.25 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -21.155 1.715 -2.266) 21.345 1.432 ( -20.284 -14.071 0.184) 24.687 2.709 ( -5.081 2.221 7.977) 9.715 2.824 ( -0.822 -1.068 -4.176) 4.388 2.926 ( 1.845 -5.831 2.479) 6.599 3.006 ( -5.739 2.443 1.235) 6.358 3.191 ( -11.952 -2.059 3.266) 12.560 3.436 ( -1.523 -2.341 2.432) 3.703 3.575 ( -9.806 0.517 -0.296) 9.824 3.838 ( 4.949 -2.528 -9.058) 10.627 4.000 ( 3.545 0.677 -1.153) 3.789 4.260 ( -2.252 1.143 0.255) 2.538 4.288 ( 9.039 1.871 -1.759) 9.397 4.659 ( 9.814 -1.645 -1.712) 10.098 4.921 ( 0.958 8.753 2.829) 9.248 5.365 ( 14.244 0.188 -3.277) 14.618 5.513 ( -0.356 -0.052 -0.412) 0.547 5.644 ( -2.390 3.678 -3.102) 5.372 5.942 ( 1.150 -1.544 0.344) 1.955 6.154 ( -1.919 -0.615 1.034) 2.265 6.323 ( 6.000 -1.105 1.263) 6.230 6.740 ( 2.158 0.518 0.918) 2.401 7.120 ( -1.508 6.405 -2.997) 7.231 7.468 ( 3.270 -2.177 -1.899) 4.363 8.198 ( -4.687 6.978 1.974) 8.635 8.456 ( -6.840 -9.323 3.170) 11.990 8.631 ( -10.484 -4.833 1.854) 11.692 9.479 ( 3.760 1.794 -3.314) 5.323 9.796 ( -3.490 2.138 -2.298) 4.693 9.885 ( -5.672 -1.836 3.922) 7.136 10.123 ( 1.220 -1.152 2.895) 3.346 10.357 ( 1.013 4.723 -7.155) 8.633 10.650 ( 0.195 -2.228 1.662) 2.787 11.099 ( 6.730 3.235 1.715) 7.662 11.677 ( 13.793 3.367 -1.619) 14.290 11.862 ( -3.290 7.903 -0.974) 8.616 12.020 ( 19.671 -7.991 6.374) 22.168 12.746 ( -0.764 0.901 -6.549) 6.654 12.873 ( -3.410 11.587 -9.273) 15.228 13.287 ( -6.511 0.648 7.441) 9.908 13.549 ( 3.507 -23.403 0.618) 23.673 13.939 ( -8.025 8.692 2.878) 12.175 14.321 ( 4.444 -1.395 0.676) 4.706 14.775 ( 0.669 2.617 -2.613) 3.759 15.441 ( 10.617 7.148 -6.799) 14.493 16.233 ( -5.244 -2.227 2.694) 6.302 16.587 ( 2.057 -3.690 4.631) 6.268 17.167 ( -2.483 10.293 -2.937) 10.988 17.389 ( -0.245 -10.690 -5.658) 12.098 17.716 ( 8.941 10.238 -5.102) 14.518 18.029 ( -9.773 1.049 3.955) 10.595 18.689 ( 0.505 -6.624 6.422) 9.239 18.824 ( -3.667 -4.190 -4.380) 7.084 19.480 ( 3.927 3.544 7.756) 9.389 19.827 ( 0.641 -5.766 8.220) 10.060 20.327 ( -6.803 2.310 -8.416) 11.066 20.965 ( 0.639 0.351 -0.746) 1.043 ======================= Grid point 90 (43/90) ======================= q-point: (-0.12 0.25 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -17.563 3.814 14.174) 22.889 1.257 ( -15.272 -2.960 21.775) 26.761 2.715 ( -8.308 -7.306 2.805) 11.414 2.763 ( -7.293 1.020 8.987) 11.619 2.885 ( -3.233 -5.456 2.630) 6.865 2.999 ( -6.621 1.369 2.251) 7.126 3.086 ( -6.943 2.002 5.571) 9.124 3.411 ( 1.005 -0.616 -4.279) 4.438 3.459 ( -1.254 2.281 -9.141) 9.505 3.671 ( -2.538 0.945 -10.406) 10.752 3.972 ( 5.299 -11.634 -4.379) 13.513 4.315 ( -2.187 8.458 4.045) 9.627 4.428 ( 9.708 5.392 -2.512) 11.385 4.712 ( 3.979 -4.321 0.872) 5.938 5.161 ( 11.819 8.400 0.255) 14.502 5.328 ( -4.738 -0.795 -8.110) 9.426 5.519 ( 2.544 -2.305 3.353) 4.799 5.645 ( 9.768 0.991 -7.862) 12.578 5.956 ( -2.542 2.531 5.468) 6.539 6.166 ( 2.009 -5.898 1.674) 6.452 6.375 ( 2.504 1.292 -1.528) 3.206 6.735 ( -10.046 -1.042 6.211) 11.857 7.172 ( 7.356 7.797 -2.962) 11.121 7.461 ( 3.012 0.246 -3.783) 4.842 8.189 ( -5.931 1.642 -0.332) 6.163 8.407 ( -3.719 3.493 6.378) 8.167 8.559 ( -7.775 -10.509 13.001) 18.437 9.561 ( 5.876 3.185 2.226) 7.045 9.786 ( 1.316 1.103 1.554) 2.316 9.861 ( -4.083 -0.094 3.401) 5.315 10.237 ( -0.183 2.296 -13.875) 14.065 10.262 ( 5.646 3.360 8.541) 10.776 10.659 ( 1.630 -1.028 1.671) 2.551 11.290 ( 7.156 3.129 6.483) 10.150 11.796 ( 7.048 -5.011 -2.447) 8.987 11.874 ( 2.305 10.689 -5.197) 12.107 12.312 ( 17.364 -5.220 1.482) 18.192 12.580 ( 1.378 0.425 -12.431) 12.515 12.728 ( -9.337 1.033 -6.178) 11.243 13.264 ( -0.494 -2.360 -1.533) 2.857 13.535 ( 4.334 -8.894 8.555) 13.080 13.970 ( -9.531 12.817 6.798) 17.359 14.445 ( 6.501 -0.924 5.845) 8.791 14.747 ( 1.488 -2.908 -2.958) 4.407 15.483 ( 2.834 7.147 -9.470) 12.199 16.232 ( -3.231 0.964 6.629) 7.437 16.587 ( -0.307 -7.673 -1.742) 7.875 17.078 ( -1.295 -2.013 -10.795) 11.057 17.359 ( 1.271 6.839 4.015) 8.031 17.809 ( -4.843 5.555 3.078) 7.987 18.003 ( 0.399 3.164 1.728) 3.627 18.639 ( 0.597 -3.760 -7.340) 8.269 18.793 ( -0.967 -6.940 8.423) 10.956 19.588 ( 1.421 1.306 -0.432) 1.978 19.859 ( 1.096 -16.623 1.385) 16.717 20.160 ( -9.399 11.569 -2.195) 15.066 20.965 ( 0.523 0.245 -0.520) 0.777 ======================= Grid point 93 (44/90) ======================= q-point: ( 0.25 0.38 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 4.330 -6.205 -11.701) 13.934 2.280 ( -4.260 0.512 14.153) 14.789 2.519 ( -5.042 8.531 13.825) 17.010 2.746 ( 0.295 -8.292 -1.877) 8.507 2.827 ( 2.226 1.827 -2.430) 3.768 2.918 ( 3.768 -4.718 -1.064) 6.131 3.168 ( 0.152 6.751 0.282) 6.759 3.241 ( 1.434 2.884 5.629) 6.486 3.542 ( 0.648 -9.284 3.550) 9.961 4.007 ( 4.692 8.461 -1.977) 9.875 4.152 ( -6.944 -6.911 -1.961) 9.991 4.287 ( 3.514 0.710 -0.766) 3.666 4.532 ( 1.849 -2.247 1.725) 3.383 4.597 ( 0.571 0.681 8.414) 8.461 4.970 ( 1.236 -1.968 7.448) 7.802 5.018 ( -6.141 4.798 -1.957) 8.035 5.405 ( -7.768 -5.614 -9.827) 13.727 5.499 ( 5.922 3.089 -4.593) 8.106 5.772 ( 4.213 2.566 -4.696) 6.811 6.253 ( -2.809 -2.006 -6.088) 6.998 6.372 ( 0.211 4.795 -5.777) 7.511 6.890 ( -1.466 0.279 0.103) 1.496 7.142 ( 2.572 -3.044 -0.055) 3.986 7.340 ( -3.090 -1.351 1.873) 3.858 8.578 ( 4.516 -5.561 0.472) 7.179 8.802 ( 3.314 -4.942 0.331) 5.959 8.894 ( 2.949 -4.013 0.345) 4.992 9.542 ( -3.083 7.387 0.824) 8.047 9.598 ( -3.221 5.219 3.075) 6.861 10.062 ( 5.819 -0.967 4.732) 7.562 10.240 ( -6.938 -6.316 0.587) 9.401 10.405 ( 0.961 -1.689 5.540) 5.871 10.752 ( 2.636 -9.641 -10.073) 14.191 11.106 ( 3.684 3.232 -9.844) 10.997 11.413 ( -1.806 -2.150 -10.487) 10.856 11.567 ( -3.609 12.246 -6.304) 14.238 11.915 ( 3.280 0.800 2.492) 4.196 12.135 ( -10.624 8.739 2.012) 13.903 13.222 ( 7.637 -15.268 2.386) 17.237 13.581 ( -6.326 -9.396 1.730) 11.459 13.781 ( 16.177 2.611 4.647) 17.033 14.090 ( -4.449 -6.074 1.868) 7.757 14.489 ( -4.392 -1.524 -10.958) 11.903 14.724 ( 5.563 5.020 -2.747) 7.981 15.008 ( -9.196 6.852 -3.861) 12.101 16.518 ( 1.813 -2.413 -1.441) 3.345 16.550 ( 5.444 3.518 8.672) 10.827 16.760 ( -5.327 -0.954 3.998) 6.728 17.681 ( -1.320 0.217 -9.130) 9.228 17.841 ( -3.806 -1.144 -9.691) 10.475 18.250 ( 5.722 -2.962 4.820) 8.046 18.467 ( -3.169 0.288 11.030) 11.479 18.609 ( -0.247 8.770 3.133) 9.316 19.217 ( 1.751 -1.005 -6.759) 7.054 20.001 ( 2.916 -4.743 2.574) 6.134 20.372 ( -2.214 4.748 4.606) 6.976 20.956 ( -0.199 -0.109 -0.718) 0.753 ======================= Grid point 94 (45/90) ======================= q-point: ( 0.38 0.38 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 4.094 -6.283 -12.679) 14.731 2.349 ( -1.389 -4.286 -0.067) 4.506 2.612 ( -5.936 1.906 9.654) 11.492 2.751 ( -2.287 1.411 5.847) 6.435 2.892 ( -1.805 1.443 6.417) 6.821 2.906 ( 7.080 -3.413 -2.243) 8.173 3.207 ( -2.471 4.694 -0.689) 5.349 3.345 ( -2.863 2.598 7.006) 8.002 3.556 ( 4.560 -6.516 2.685) 8.394 4.015 ( -0.697 -4.585 -2.855) 5.446 4.071 ( 0.627 6.751 -5.850) 8.955 4.316 ( 4.042 2.709 -2.751) 5.590 4.493 ( 7.448 -6.799 -5.824) 11.646 4.550 ( -4.879 -2.713 -6.395) 8.489 4.936 ( -8.835 -6.999 3.256) 11.733 5.222 ( 1.746 1.654 1.019) 2.612 5.259 ( -0.900 4.736 15.588) 16.316 5.582 ( 8.490 1.349 -1.176) 8.677 5.760 ( -1.631 10.020 -3.787) 10.835 6.103 ( -1.186 -0.457 -7.922) 8.023 6.319 ( -1.214 5.777 -7.144) 9.268 6.803 ( -3.575 -4.791 -4.656) 7.577 7.163 ( 0.383 -3.934 2.930) 4.920 7.337 ( 1.437 -1.221 1.006) 2.137 8.554 ( -2.938 -6.961 -1.135) 7.640 8.616 ( 3.206 -5.778 -9.014) 11.176 9.086 ( 2.687 5.481 4.331) 7.484 9.535 ( -1.343 2.816 1.979) 3.694 9.689 ( -3.111 3.125 5.907) 7.371 10.087 ( -5.962 -5.228 -0.384) 7.939 10.174 ( 6.147 -1.216 -0.334) 6.276 10.495 ( 2.500 1.791 0.609) 3.135 10.530 ( -1.007 -13.929 -6.432) 15.375 11.047 ( 6.940 1.908 -10.513) 12.740 11.234 ( -0.604 -0.917 -9.541) 9.604 11.635 ( -6.025 21.986 -0.352) 22.800 12.008 ( 1.157 -1.774 7.846) 8.127 12.118 ( -1.369 6.818 0.585) 6.978 13.228 ( 5.320 -19.485 4.154) 20.621 13.394 ( -6.602 -9.520 -0.151) 11.586 13.932 ( 1.569 -15.723 -6.872) 17.230 14.006 ( -4.034 6.360 4.382) 8.714 14.402 ( 3.672 6.227 -0.963) 7.292 14.793 ( 1.629 2.825 -5.682) 6.551 14.898 ( -0.542 10.245 -5.652) 11.713 16.501 ( 1.025 -2.960 -0.435) 3.162 16.586 ( -6.767 -5.078 2.207) 8.744 16.913 ( 6.498 6.445 9.613) 13.273 17.503 ( -4.215 0.740 -10.309) 11.162 17.685 ( 2.548 1.552 -11.696) 12.070 18.329 ( 0.093 -4.812 4.061) 6.297 18.534 ( -2.727 -0.725 7.466) 7.981 18.832 ( 4.117 8.728 11.801) 15.244 19.149 ( 0.520 1.056 -5.362) 5.490 19.943 ( -2.878 -9.760 -0.352) 10.182 20.476 ( 0.885 6.374 2.907) 7.061 20.942 ( 0.051 0.066 -0.869) 0.873 ======================= Grid point 95 (46/90) ======================= q-point: (-0.50 0.38 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -0.077 -6.231 -9.769) 11.587 2.198 ( -9.139 -2.390 -5.766) 11.067 2.704 ( 0.074 -3.060 5.961) 6.701 2.836 ( -1.689 3.940 6.538) 7.818 2.876 ( -0.214 0.384 -0.638) 0.775 3.039 ( 5.211 -2.729 5.641) 8.150 3.165 ( -2.466 2.245 -1.554) 3.679 3.403 ( -5.307 1.660 7.010) 8.947 3.637 ( 4.845 -2.971 2.903) 6.382 3.928 ( 1.978 -1.666 -4.413) 5.116 4.016 ( 0.506 3.934 -8.699) 9.561 4.342 ( -1.023 2.288 -0.963) 2.685 4.372 ( 2.786 -2.653 -9.954) 10.672 4.460 ( -3.794 -3.071 -0.463) 4.903 4.891 ( 3.582 -6.340 4.256) 8.434 5.167 ( -5.008 2.834 -4.197) 7.122 5.481 ( -1.566 0.487 8.965) 9.114 5.640 ( 4.224 -1.689 -1.110) 4.683 5.881 ( 1.083 14.208 4.550) 14.958 6.036 ( 3.632 1.024 -3.787) 5.346 6.252 ( -0.534 5.165 -5.481) 7.550 6.638 ( -2.476 -2.697 -6.872) 7.787 7.171 ( -0.855 -3.331 3.401) 4.837 7.370 ( 4.001 -2.719 -0.175) 4.840 8.396 ( -5.803 -1.292 -3.541) 6.920 8.584 ( 4.079 -7.618 0.166) 8.643 9.091 ( -7.756 8.596 -6.343) 13.201 9.538 ( -3.969 -0.316 -2.658) 4.787 9.761 ( 4.270 -2.431 7.513) 8.977 10.011 ( -4.240 1.143 1.249) 4.565 10.203 ( 2.341 -0.497 -5.361) 5.871 10.312 ( -0.082 -2.868 -7.910) 8.414 10.576 ( 3.614 -6.611 5.176) 9.141 11.023 ( 4.690 -0.273 -7.102) 8.515 11.206 ( 7.717 5.025 -1.742) 9.372 11.642 ( -9.005 13.440 -1.679) 16.265 12.022 ( -7.842 1.458 4.106) 8.971 12.340 ( 15.867 6.143 4.145) 17.512 13.094 ( -5.714 -10.559 -2.270) 12.219 13.388 ( 6.752 -12.522 6.348) 15.579 13.685 ( -5.741 -13.874 -3.620) 15.445 14.050 ( -3.900 6.272 2.426) 7.774 14.430 ( -4.548 1.878 -4.704) 6.807 14.739 ( 3.272 8.617 -6.406) 11.225 14.988 ( 9.028 6.620 -2.803) 11.540 16.448 ( -3.436 -3.888 -1.399) 5.374 16.525 ( -2.485 -4.340 4.622) 6.810 17.174 ( 6.761 7.719 6.760) 12.288 17.332 ( -2.794 3.296 -9.341) 10.292 17.582 ( 3.604 1.223 -11.539) 12.150 18.307 ( -5.326 -4.447 4.390) 8.211 18.613 ( -0.138 -3.485 8.277) 8.981 19.029 ( -0.232 1.227 -2.049) 2.400 19.170 ( 2.602 6.047 9.219) 11.328 19.825 ( -1.725 -10.393 0.399) 10.543 20.531 ( -1.348 4.968 -1.292) 5.307 20.937 ( 0.691 0.396 -0.762) 1.102 ======================= Grid point 96 (47/90) ======================= q-point: (-0.38 0.38 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -7.114 -2.791 -2.464) 8.030 1.949 ( -16.672 -0.407 -2.753) 16.902 2.729 ( -0.473 -4.809 2.827) 5.598 2.828 ( 0.824 4.074 -5.964) 7.269 2.905 ( -0.518 1.291 -0.768) 1.589 3.103 ( -0.913 -5.014 4.862) 7.044 3.238 ( 7.135 0.301 3.156) 7.808 3.398 ( -6.847 1.840 1.504) 7.248 3.686 ( 4.834 -3.257 -1.962) 6.150 3.905 ( 3.028 1.461 -8.499) 9.140 3.961 ( 0.729 -2.884 1.529) 3.345 4.268 ( -1.294 3.452 -0.227) 3.693 4.345 ( -8.710 -6.247 3.949) 11.423 4.407 ( 3.577 9.096 -3.134) 10.264 4.963 ( 3.271 -3.133 0.697) 4.582 5.080 ( -0.685 3.743 -2.522) 4.565 5.523 ( -1.801 -1.099 2.991) 3.660 5.673 ( 4.656 -4.968 0.246) 6.813 5.943 ( -2.873 4.354 -3.549) 6.310 6.082 ( 4.097 3.473 -3.662) 6.500 6.271 ( 0.383 2.251 4.461) 5.011 6.590 ( 4.896 7.839 -3.689) 9.951 7.186 ( -0.895 -0.543 1.818) 2.097 7.378 ( 3.332 -4.539 -1.922) 5.950 8.323 ( -5.012 4.501 2.225) 7.094 8.583 ( 0.167 -8.662 3.526) 9.354 8.867 ( -9.050 1.333 -12.040) 15.121 9.458 ( -3.201 4.951 -1.855) 6.181 9.874 ( -0.609 -1.745 -0.082) 1.850 10.001 ( -0.123 3.086 2.865) 4.212 10.089 ( -2.026 -2.320 -3.638) 4.767 10.291 ( 3.762 2.149 -3.661) 5.672 10.649 ( 2.494 -5.261 5.251) 7.840 10.999 ( 1.946 2.896 -2.208) 4.129 11.371 ( 9.229 9.851 -2.445) 13.718 11.643 ( 3.418 -4.881 4.962) 7.754 11.997 ( -5.607 6.309 1.405) 8.557 12.588 ( 11.252 2.240 -3.596) 12.023 12.961 ( -2.545 4.148 -2.821) 5.625 13.384 ( 5.542 -20.517 -1.119) 21.282 13.564 ( -8.915 -4.482 8.309) 12.985 14.083 ( -3.778 6.764 2.816) 8.243 14.270 ( -2.303 -1.313 -6.268) 6.805 14.778 ( 0.593 6.711 -2.606) 7.223 15.127 ( 11.892 6.651 -4.990) 14.510 16.372 ( -4.898 -2.240 2.419) 5.904 16.548 ( 0.650 -2.969 4.158) 5.150 17.209 ( -0.286 2.361 -8.876) 9.190 17.377 ( 4.060 4.514 0.120) 6.072 17.492 ( 3.742 6.247 -6.920) 10.045 18.268 ( -7.261 -3.349 6.396) 10.239 18.683 ( 0.052 -5.377 5.638) 7.791 18.933 ( -4.268 -2.776 -2.903) 5.861 19.380 ( 3.649 0.054 7.830) 8.639 19.794 ( 1.536 -5.110 4.715) 7.121 20.477 ( -4.305 3.613 -5.548) 7.897 20.943 ( 0.960 0.619 -0.724) 1.353 ======================= Grid point 97 (48/90) ======================= q-point: (-0.25 0.38 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -13.517 5.858 8.530) 17.023 1.734 ( -19.079 1.342 7.917) 20.700 2.692 ( 2.832 -2.150 -6.160) 7.112 2.785 ( 0.511 5.065 -7.074) 8.715 2.896 ( 1.466 -5.786 1.765) 6.224 3.100 ( -3.412 -1.762 3.172) 4.981 3.301 ( -1.391 -1.177 -2.613) 3.185 3.352 ( 4.827 -0.946 -3.928) 6.294 3.605 ( -4.150 -1.084 -6.385) 7.692 3.800 ( 3.912 -8.389 -5.937) 10.997 4.018 ( -9.526 -0.594 10.855) 14.454 4.259 ( -5.542 -0.980 6.873) 8.883 4.348 ( 0.288 9.985 2.012) 10.190 4.538 ( 7.580 4.514 0.607) 8.843 4.990 ( 1.087 6.662 -0.492) 6.768 5.098 ( 9.940 -3.949 -5.811) 12.172 5.541 ( 0.539 -1.819 2.972) 3.526 5.650 ( -1.422 -3.324 -4.337) 5.646 5.876 ( 2.774 -5.104 -0.761) 5.859 6.112 ( 1.795 4.994 -1.428) 5.495 6.354 ( -0.144 3.445 2.915) 4.515 6.746 ( 6.921 10.476 2.476) 12.798 7.163 ( -3.675 1.748 -1.429) 4.313 7.350 ( 4.401 -4.411 -3.744) 7.269 8.374 ( -6.551 7.037 3.656) 10.286 8.498 ( -4.930 -3.028 -0.398) 5.799 8.692 ( -0.613 -5.774 1.039) 5.898 9.479 ( -1.048 7.052 2.321) 7.498 9.800 ( -1.018 1.530 -3.696) 4.127 9.981 ( -3.997 -0.584 -1.093) 4.184 10.153 ( 3.602 2.041 6.280) 7.522 10.245 ( 0.369 -0.486 -9.830) 9.849 10.688 ( -2.371 -1.526 4.709) 5.489 11.099 ( 5.472 4.678 5.342) 8.965 11.514 ( 10.340 6.040 -3.400) 12.448 11.767 ( 9.884 -11.851 5.823) 16.494 12.027 ( -0.810 11.996 0.232) 12.026 12.537 ( 2.963 -5.448 -11.682) 13.226 12.976 ( -4.486 14.452 -4.661) 15.833 13.331 ( 5.274 -21.743 2.980) 22.571 13.442 ( -9.167 -0.488 0.296) 9.184 14.126 ( -2.281 5.642 2.195) 6.469 14.293 ( 4.154 2.587 6.651) 8.257 14.761 ( -2.229 0.589 -2.536) 3.427 15.263 ( 11.681 8.724 -6.156) 15.825 16.355 ( -4.984 -0.649 5.963) 7.798 16.591 ( 0.420 -3.165 2.520) 4.067 17.062 ( 1.706 -5.308 -12.159) 13.377 17.368 ( -1.901 8.600 -1.173) 8.885 17.641 ( 9.199 11.268 -1.169) 14.593 18.231 ( -9.361 -2.670 6.718) 11.827 18.644 ( -0.722 -5.822 -4.229) 7.232 18.864 ( -4.104 -6.304 6.781) 10.128 19.482 ( 4.964 -6.204 3.730) 8.777 19.859 ( 0.156 -3.644 2.503) 4.423 20.352 ( -5.485 5.299 -5.274) 9.273 20.949 ( 0.722 0.614 -0.676) 1.164 ======================= Grid point 98 (49/90) ======================= q-point: (-0.12 0.38 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -16.100 13.675 15.323) 26.096 1.764 ( -11.348 3.416 23.647) 26.450 2.615 ( 2.645 -2.279 -7.647) 8.406 2.727 ( 3.980 3.043 -9.163) 10.443 2.884 ( 0.549 -7.277 1.638) 7.479 3.114 ( 0.542 1.501 2.242) 2.752 3.141 ( 1.186 -3.727 -15.789) 16.266 3.337 ( 2.170 -3.270 -3.415) 5.202 3.512 ( -10.241 2.288 8.275) 13.364 3.754 ( 4.006 -6.046 -1.394) 7.386 3.953 ( -20.600 -3.319 15.122) 25.769 4.349 ( 3.509 4.549 1.614) 5.967 4.466 ( 0.215 10.120 2.529) 10.434 4.621 ( 3.826 -2.771 -1.303) 4.900 4.933 ( 6.970 -4.566 -13.859) 16.171 5.262 ( 12.053 4.882 5.167) 13.993 5.471 ( -5.070 0.287 -9.812) 11.048 5.590 ( 0.928 -1.049 1.614) 2.137 5.935 ( 8.844 -9.447 3.440) 13.390 6.149 ( -2.336 6.052 0.802) 6.537 6.404 ( -0.183 4.702 0.721) 4.760 6.910 ( -2.687 1.859 6.457) 7.237 7.131 ( 1.489 6.613 -3.393) 7.581 7.338 ( 6.183 -0.651 -4.524) 7.689 8.227 ( -6.012 -2.308 -4.072) 7.619 8.596 ( -0.289 2.899 8.007) 8.521 8.724 ( -2.301 -1.129 10.765) 11.066 9.597 ( 1.993 6.012 5.718) 8.533 9.783 ( 0.305 1.988 -2.030) 2.858 9.925 ( -2.313 -1.414 -0.650) 2.788 10.038 ( 0.279 -3.547 -14.378) 14.811 10.320 ( 4.086 6.778 5.133) 9.433 10.715 ( -2.809 -1.346 5.872) 6.648 11.321 ( 7.413 4.349 7.778) 11.592 11.618 ( 8.419 -3.811 -2.609) 9.603 11.824 ( 3.032 2.834 -4.438) 6.076 12.155 ( 4.630 4.106 -3.327) 7.026 12.375 ( 5.931 -4.563 -5.118) 9.066 12.805 ( -16.175 0.845 -8.396) 18.243 13.223 ( 1.067 -3.728 0.313) 3.891 13.519 ( 6.829 -1.997 5.167) 8.794 14.183 ( 0.885 7.206 0.775) 7.301 14.490 ( -1.299 1.213 9.818) 9.977 14.690 ( 0.958 0.230 -1.545) 1.832 15.374 ( 6.335 7.299 -6.044) 11.399 16.391 ( -3.711 0.232 7.359) 8.245 16.506 ( -4.307 -10.122 -3.496) 11.542 16.915 ( 2.589 -1.087 -8.070) 8.545 17.468 ( 2.027 13.295 2.373) 13.657 17.829 ( 9.267 8.732 -0.214) 12.735 18.149 ( -10.511 -3.809 3.928) 11.850 18.535 ( -0.808 -3.768 -2.897) 4.821 18.864 ( -3.802 -7.445 5.999) 10.290 19.548 ( 5.344 -3.969 1.794) 6.894 19.708 ( -5.247 -11.005 -8.564) 14.899 20.336 ( -3.320 7.659 2.543) 8.727 20.954 ( 0.564 0.438 -0.299) 0.774 ======================= Grid point 101 (50/90) ======================= q-point: ( 0.25 -0.50 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 8.819 -9.337 -13.050) 18.310 2.375 ( 4.974 -9.518 1.969) 10.919 2.635 ( 6.805 0.910 -8.482) 10.912 2.755 ( -3.645 5.429 3.871) 7.599 2.838 ( -2.683 -1.166 11.758) 12.117 2.938 ( -0.453 3.830 4.972) 6.292 3.232 ( 2.449 1.156 0.961) 2.873 3.312 ( -3.127 6.283 3.451) 7.821 3.613 ( -3.604 -3.030 9.087) 10.235 3.905 ( 6.726 -6.838 -3.104) 10.081 4.045 ( 3.692 0.453 -2.606) 4.542 4.250 ( 2.454 -3.127 -4.655) 6.121 4.396 ( -1.425 0.778 -5.165) 5.414 4.675 ( -6.209 2.342 -7.410) 9.947 5.030 ( 5.802 -8.947 -1.578) 10.780 5.181 ( 1.947 -0.189 3.413) 3.934 5.341 ( -5.699 5.191 10.450) 12.986 5.487 ( -6.624 0.162 0.675) 6.660 5.747 ( 2.721 5.435 -0.515) 6.099 6.176 ( -4.374 -1.141 -8.376) 9.518 6.355 ( -0.313 6.950 -3.104) 7.618 6.916 ( -4.709 1.518 -2.691) 5.632 7.057 ( 5.538 -1.282 -2.142) 6.074 7.390 ( -3.264 -4.655 1.966) 6.016 8.408 ( 7.378 -1.704 -6.918) 10.257 8.685 ( -2.923 -10.059 -5.757) 11.953 8.867 ( 12.362 0.838 9.618) 15.685 9.589 ( -1.663 4.509 -2.240) 5.303 9.785 ( -2.706 3.633 7.118) 8.437 10.011 ( 5.877 -1.882 -1.148) 6.277 10.240 ( -4.729 -6.789 -4.949) 9.641 10.424 ( 2.509 2.641 -0.285) 3.654 10.515 ( 2.267 -8.535 -3.816) 9.620 11.012 ( -5.004 0.775 -7.602) 9.134 11.341 ( -7.098 1.036 -6.530) 9.700 11.661 ( 1.414 6.972 3.332) 7.856 11.971 ( -2.922 10.616 2.375) 11.264 12.398 ( -12.354 6.139 4.289) 14.447 13.004 ( 9.029 -12.166 -2.042) 15.287 13.523 ( 3.098 -10.986 -2.692) 11.728 13.673 ( 9.428 -3.391 6.082) 11.721 14.151 ( -4.594 1.418 -0.552) 4.840 14.372 ( -0.211 -3.915 -5.579) 6.819 14.673 ( 2.632 6.504 -2.688) 7.513 15.157 ( -12.984 6.085 -4.091) 14.912 16.417 ( 4.193 -4.173 -2.703) 6.504 16.642 ( 5.885 4.809 10.167) 12.694 16.862 ( -4.713 -2.714 2.268) 5.892 17.571 ( -2.716 5.548 -12.793) 14.207 17.762 ( -6.563 -3.174 -9.032) 11.607 18.191 ( 8.826 -1.817 3.153) 9.547 18.685 ( -6.746 -5.265 11.958) 14.704 18.717 ( 4.046 7.150 7.434) 11.080 19.123 ( 0.841 1.606 -4.169) 4.546 19.948 ( 3.146 -4.149 0.593) 5.241 20.458 ( 0.198 2.856 1.446) 3.207 20.953 ( -0.701 0.153 -0.520) 0.886 ======================= Grid point 102 (51/90) ======================= q-point: ( 0.38 -0.50 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 5.889 -4.982 -6.646) 10.182 2.337 ( -2.639 -5.178 0.297) 5.819 2.648 ( 8.477 2.711 -7.323) 11.525 2.776 ( 0.399 -4.234 3.697) 5.635 2.944 ( -2.522 0.678 6.996) 7.467 3.009 ( -1.593 3.560 2.645) 4.713 3.291 ( -5.521 0.876 -1.668) 5.833 3.313 ( 6.418 -1.923 2.780) 7.254 3.691 ( -4.358 4.617 9.568) 11.483 3.890 ( 2.625 -7.951 -2.302) 8.684 3.980 ( 0.094 1.308 -9.869) 9.956 4.283 ( -0.814 5.186 -1.232) 5.392 4.334 ( 4.079 -2.777 0.019) 4.935 4.531 ( -2.866 1.123 -4.234) 5.235 4.897 ( -0.103 -11.698 -6.527) 13.396 5.218 ( 1.710 3.722 1.641) 4.413 5.439 ( 2.505 2.768 -0.604) 3.782 5.581 ( -2.210 -1.218 11.369) 11.645 5.867 ( 3.030 10.564 4.988) 12.069 6.015 ( -3.294 3.512 -7.058) 8.544 6.311 ( -3.962 4.392 -4.958) 7.718 6.769 ( -6.647 -2.864 -5.483) 9.080 7.123 ( 6.110 -0.648 0.334) 6.153 7.329 ( -2.179 -5.056 0.123) 5.507 8.408 ( 7.568 -0.645 -5.446) 9.346 8.522 ( -3.307 -6.367 -1.992) 7.446 9.137 ( 5.910 5.517 4.752) 9.378 9.590 ( -0.473 1.450 1.312) 2.012 9.785 ( -4.885 0.683 -2.463) 5.514 10.027 ( 6.972 -5.018 -6.635) 10.854 10.146 ( -2.518 1.903 2.251) 3.877 10.329 ( -0.636 -4.745 -8.012) 9.334 10.502 ( 0.303 -4.634 4.360) 6.370 10.913 ( 0.832 4.018 -4.778) 6.298 11.193 ( -5.496 2.596 -3.389) 6.959 11.887 ( 3.301 13.413 8.297) 16.113 11.993 ( -1.770 3.150 -0.014) 3.613 12.308 ( -12.347 4.412 0.562) 13.124 13.000 ( 9.866 -14.013 -3.078) 17.412 13.382 ( -3.445 -9.351 -0.404) 9.973 13.717 ( 3.754 -13.629 -3.097) 14.472 14.176 ( -5.480 1.481 5.605) 7.977 14.347 ( 7.944 5.467 -0.511) 9.657 14.742 ( 1.212 7.807 -4.468) 9.076 14.967 ( -9.904 6.965 -5.338) 13.233 16.415 ( 4.041 -3.682 -1.483) 5.664 16.671 ( -6.093 -7.885 3.609) 10.599 17.016 ( 5.703 10.407 6.974) 13.765 17.385 ( -1.729 2.860 -13.961) 14.356 17.566 ( -3.196 2.412 -8.381) 9.288 18.308 ( 5.283 -4.271 3.513) 7.648 18.690 ( -5.549 -6.556 9.595) 12.878 18.979 ( 4.247 7.628 8.438) 12.142 19.117 ( 0.867 1.445 1.444) 2.219 19.871 ( -1.344 -9.573 -3.159) 10.170 20.525 ( 1.806 5.183 -0.172) 5.492 20.936 ( -0.630 0.393 -0.726) 1.038 ======================= Grid point 103 (52/90) ======================= q-point: (-0.50 0.50 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.047 -0.578 0.447) 0.732 2.253 ( -6.768 0.971 -1.808) 7.072 2.688 ( 8.217 1.986 -4.966) 9.804 2.773 ( -1.470 -6.150 0.159) 6.325 2.945 ( -0.599 -0.777 -3.215) 3.362 3.042 ( 2.748 -3.314 2.037) 4.763 3.242 ( -5.272 2.461 4.918) 7.618 3.429 ( 5.787 -4.407 3.961) 8.283 3.739 ( 0.050 -4.544 -11.398) 12.270 3.752 ( -1.947 -0.387 -1.059) 2.250 3.949 ( -1.894 6.806 4.281) 8.261 4.268 ( -0.317 4.562 -2.889) 5.409 4.338 ( -2.474 3.058 -1.366) 4.164 4.509 ( 0.085 0.741 1.149) 1.370 4.842 ( 5.979 -5.745 2.105) 8.555 5.241 ( -5.521 2.661 -0.360) 6.140 5.483 ( 6.413 -1.692 -2.897) 7.238 5.616 ( -3.599 -3.323 4.061) 6.363 5.976 ( 1.312 7.025 -2.464) 7.559 6.044 ( -0.941 7.385 2.257) 7.779 6.244 ( 0.057 2.524 -0.385) 2.554 6.595 ( -5.057 3.170 -6.442) 8.782 7.188 ( 1.501 -4.745 3.795) 6.258 7.279 ( 2.866 -2.297 -3.195) 4.868 8.445 ( -0.392 1.069 1.718) 2.061 8.456 ( 3.933 -2.416 -1.374) 4.816 9.119 ( -7.983 3.609 -11.275) 14.279 9.600 ( -5.258 2.849 1.295) 6.119 9.773 ( 5.335 -0.021 4.405) 6.919 9.952 ( 3.802 1.647 -11.352) 12.085 10.155 ( 3.616 -1.195 -3.356) 5.076 10.235 ( -4.428 -6.524 3.337) 8.562 10.551 ( 1.574 0.771 4.966) 5.266 10.940 ( 2.870 4.228 -1.309) 5.274 11.184 ( 1.756 4.852 2.101) 5.571 11.862 ( -13.755 7.817 -2.733) 16.055 12.158 ( -2.831 0.160 1.751) 3.333 12.260 ( 8.028 4.887 5.105) 10.695 12.913 ( 6.483 -11.816 -9.155) 16.293 13.318 ( -1.280 -8.677 1.928) 8.981 13.657 ( 2.012 -7.693 5.512) 9.675 14.168 ( -3.122 -0.125 2.534) 4.023 14.462 ( -5.705 4.394 -3.206) 7.882 14.669 ( 2.745 8.365 -5.938) 10.619 14.941 ( 1.390 7.379 -2.104) 7.798 16.425 ( 1.648 -1.118 0.428) 2.037 16.597 ( -4.376 -6.575 4.331) 9.008 17.192 ( 0.480 -0.404 -13.851) 13.865 17.232 ( 4.580 10.496 2.806) 11.790 17.487 ( -0.846 6.983 -5.325) 8.823 18.366 ( 0.762 -5.778 5.139) 7.770 18.706 ( -2.494 -7.130 7.044) 10.329 19.042 ( -3.886 1.876 0.319) 4.327 19.278 ( 4.342 -0.404 8.825) 9.844 19.759 ( 0.944 -6.722 -0.574) 6.812 20.543 ( -0.463 3.998 -4.127) 5.765 20.927 ( 0.017 0.727 -0.592) 0.938 ======================= Grid point 105 (53/90) ======================= q-point: (-0.38 0.50 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -3.819 6.000 8.424) 11.025 2.140 ( -10.125 3.005 0.977) 10.606 2.623 ( 2.406 -4.825 -10.924) 12.182 2.740 ( 2.638 4.115 -8.614) 9.904 2.896 ( -0.220 -5.056 2.369) 5.588 3.091 ( 4.723 -7.655 4.065) 9.870 3.277 ( -2.811 2.150 2.615) 4.400 3.373 ( -3.464 -5.034 -9.515) 11.308 3.615 ( 7.888 -9.762 -9.704) 15.864 3.706 ( -2.676 3.910 3.743) 6.039 4.068 ( -2.809 8.392 8.161) 12.038 4.308 ( 4.144 4.325 -0.870) 6.052 4.361 ( -1.837 8.458 2.755) 9.084 4.535 ( -1.621 1.668 2.409) 3.349 4.938 ( 5.691 -3.217 3.055) 7.216 5.110 ( -8.469 1.331 -4.668) 9.762 5.485 ( 5.751 -7.028 -2.944) 9.546 5.590 ( -2.904 -5.284 3.573) 7.009 5.961 ( -4.146 1.940 -4.485) 6.408 6.083 ( 0.941 5.741 1.703) 6.062 6.331 ( 2.073 3.416 2.740) 4.845 6.576 ( 3.014 14.152 -2.594) 14.700 7.190 ( 0.756 -3.946 0.021) 4.018 7.273 ( 2.533 -2.569 -1.712) 3.993 8.477 ( 0.155 1.342 3.566) 3.813 8.537 ( 3.225 1.910 4.798) 6.088 8.792 ( -10.905 -0.675 -15.150) 18.678 9.591 ( -5.470 8.273 1.807) 10.081 9.793 ( 2.023 -1.140 -7.316) 7.676 9.994 ( 6.487 3.927 -0.472) 7.598 10.102 ( -4.437 0.614 -1.119) 4.617 10.200 ( 4.029 -8.271 0.403) 9.209 10.685 ( 1.377 2.535 7.847) 8.360 11.010 ( 2.189 5.183 2.596) 6.197 11.323 ( 5.997 10.240 -0.794) 11.894 11.698 ( -8.057 -5.904 1.976) 10.183 12.116 ( -4.377 4.712 0.038) 6.432 12.427 ( 4.913 -2.608 -2.141) 5.960 12.863 ( 11.478 0.792 -5.030) 12.557 13.238 ( -1.188 -10.061 1.212) 10.203 13.749 ( -5.243 -1.635 7.484) 9.283 14.132 ( -1.499 -4.010 -2.823) 5.128 14.311 ( -6.482 7.409 0.505) 9.858 14.774 ( 4.588 5.968 -0.867) 7.578 14.986 ( 5.177 6.882 -4.893) 9.905 16.456 ( -1.722 1.264 3.805) 4.363 16.586 ( -0.957 -4.268 5.392) 6.944 17.003 ( 2.080 -3.205 -14.292) 14.794 17.388 ( 4.366 9.921 -0.632) 10.858 17.479 ( -0.521 9.610 -2.966) 10.070 18.393 ( -2.305 -6.207 6.711) 9.428 18.672 ( -1.631 -7.393 -1.100) 7.651 19.003 ( -6.317 -3.105 6.011) 9.256 19.366 ( 3.681 -8.076 2.598) 9.248 19.817 ( 3.212 1.019 5.275) 6.259 20.460 ( -2.754 2.544 -7.525) 8.407 20.931 ( 0.511 0.973 -0.408) 1.172 ======================= Grid point 106 (54/90) ======================= q-point: (-0.25 0.50 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -7.065 12.847 14.626) 20.709 2.094 ( -11.184 3.690 9.783) 15.311 2.482 ( 6.196 -4.633 -11.702) 14.028 2.611 ( 4.566 0.139 -16.368) 16.994 2.901 ( -2.683 -4.416 4.398) 6.786 3.136 ( -1.031 -3.362 -12.366) 12.856 3.146 ( -0.075 -5.997 2.914) 6.668 3.247 ( 0.727 -0.043 -3.079) 3.164 3.543 ( 6.131 -7.776 -2.572) 10.231 3.784 ( -4.308 6.822 6.103) 10.116 4.189 ( -2.644 1.488 6.396) 7.079 4.374 ( 2.918 -0.667 2.154) 3.688 4.442 ( -1.997 7.380 1.074) 7.720 4.561 ( 1.455 1.730 -2.218) 3.167 4.876 ( 0.622 -2.427 -8.039) 8.421 5.120 ( -1.723 5.189 9.270) 10.762 5.480 ( 5.613 -6.729 -0.427) 8.773 5.542 ( -2.566 -5.968 -0.426) 6.510 5.879 ( -2.813 1.158 0.175) 3.047 6.165 ( -0.202 6.822 1.781) 7.053 6.387 ( 1.555 2.986 -0.838) 3.470 6.781 ( 8.120 16.002 2.574) 18.128 7.160 ( 2.760 -2.967 -3.792) 5.550 7.236 ( -1.952 -2.537 -1.190) 3.415 8.453 ( -9.718 -0.787 -11.377) 14.983 8.542 ( 4.424 -2.121 0.714) 4.958 8.723 ( 0.383 7.099 12.566) 14.437 9.627 ( -3.176 7.021 2.994) 8.267 9.744 ( 3.064 -0.409 -2.866) 4.215 9.938 ( -0.073 3.689 -9.336) 10.038 10.065 ( -1.197 -6.601 -6.545) 9.372 10.252 ( 2.364 1.271 6.904) 7.407 10.797 ( -1.139 0.715 5.288) 5.456 11.168 ( 3.549 8.076 7.193) 11.382 11.410 ( 4.271 9.071 -6.177) 11.776 11.690 ( 4.140 -10.894 8.643) 14.509 12.122 ( -2.002 9.659 -1.189) 9.936 12.334 ( -0.239 -8.572 -5.439) 10.155 13.015 ( 6.993 12.479 -4.362) 14.955 13.199 ( 1.574 -10.358 3.800) 11.145 13.557 ( -15.725 -3.030 -4.518) 16.639 14.116 ( 3.589 -2.486 -0.409) 4.385 14.448 ( 2.711 8.911 10.636) 14.138 14.782 ( -4.878 0.326 -0.852) 4.963 15.096 ( 12.297 8.817 -4.675) 15.837 16.492 ( -3.573 0.407 5.128) 6.263 16.613 ( -2.929 -5.585 2.844) 6.918 16.821 ( 3.824 -3.096 -10.552) 11.643 17.457 ( -1.079 12.637 -1.346) 12.754 17.584 ( 8.141 9.855 -2.079) 12.951 18.361 ( -4.661 -7.598 0.301) 8.919 18.565 ( -1.631 -6.391 0.505) 6.615 19.001 ( -6.424 -5.724 9.619) 12.906 19.382 ( 5.711 -9.061 1.067) 10.763 19.861 ( -4.244 -0.970 -2.820) 5.187 20.367 ( 0.197 3.393 -3.266) 4.713 20.941 ( 0.480 0.951 -0.238) 1.091 ======================= Grid point 107 (55/90) ======================= q-point: (-0.12 -0.50 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -11.110 11.972 12.674) 20.673 2.209 ( -5.235 5.249 17.671) 19.163 2.384 ( 7.997 -6.182 -10.955) 14.906 2.472 ( 8.208 -2.583 -12.366) 15.065 2.855 ( -3.829 1.631 -3.413) 5.383 2.947 ( -1.467 -5.134 -7.327) 9.066 3.117 ( 0.767 0.102 0.698) 1.043 3.260 ( 1.829 -2.718 0.306) 3.290 3.556 ( 3.261 -6.470 1.821) 7.471 3.869 ( -4.130 7.687 6.435) 10.843 4.202 ( -3.457 -6.278 5.842) 9.246 4.304 ( 8.282 -12.183 -14.227) 20.480 4.504 ( 2.976 9.969 -2.865) 10.791 4.545 ( -4.670 0.163 4.129) 6.236 4.857 ( -2.179 2.137 4.504) 5.441 5.282 ( -1.467 7.517 6.441) 10.007 5.412 ( -2.100 -2.765 -3.810) 5.155 5.511 ( 3.363 -2.706 -1.272) 4.500 5.907 ( 0.394 -2.427 4.491) 5.120 6.211 ( -0.299 5.614 -1.686) 5.869 6.418 ( 2.556 3.491 -1.952) 4.746 7.014 ( 2.525 7.753 1.378) 8.270 7.127 ( -1.601 -3.132 0.612) 3.570 7.198 ( 6.133 4.549 -3.045) 8.221 8.219 ( -5.109 -2.247 -5.057) 7.532 8.580 ( 5.065 -4.001 -1.332) 6.591 8.972 ( -1.116 8.375 13.503) 15.929 9.670 ( 3.100 -1.293 -1.800) 3.810 9.758 ( 0.682 1.006 -2.111) 2.436 9.837 ( -5.806 -1.589 -8.335) 10.281 9.918 ( 3.171 2.296 1.124) 4.073 10.388 ( 2.360 4.769 3.749) 6.509 10.804 ( -2.564 -1.757 0.135) 3.111 11.397 ( 3.851 6.867 9.230) 12.131 11.452 ( 6.990 0.658 -4.218) 8.190 11.771 ( 1.524 -0.614 1.077) 1.965 12.113 ( -5.151 1.550 -6.323) 8.301 12.270 ( 5.614 -0.096 3.894) 6.833 12.924 ( -16.008 -0.634 -6.256) 17.199 13.200 ( 1.265 0.311 0.987) 1.634 13.473 ( 6.655 1.605 1.657) 7.043 14.124 ( 4.699 -0.757 -3.583) 5.957 14.652 ( -3.812 -1.633 -3.610) 5.498 14.754 ( -0.300 9.203 14.707) 17.352 15.249 ( 9.048 5.223 -4.344) 11.314 16.411 ( -5.550 -9.863 -4.875) 12.323 16.536 ( -2.605 -3.039 3.306) 5.192 16.822 ( 2.638 3.481 0.489) 4.395 17.569 ( 2.159 15.386 0.505) 15.545 17.741 ( 9.914 7.162 -2.329) 12.450 18.185 ( -3.373 -8.553 -5.717) 10.827 18.570 ( -2.414 -3.584 7.625) 8.764 18.971 ( -9.333 -7.336 6.243) 13.413 19.420 ( 8.417 -9.571 1.053) 12.789 19.626 ( -9.374 -0.825 -11.421) 14.799 20.421 ( 1.817 2.982 2.386) 4.229 20.951 ( 0.346 0.647 0.045) 0.735 ======================= Grid point 111 (56/90) ======================= q-point: ( 0.25 -0.38 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 15.626 -8.432 -6.370) 18.864 2.135 ( 21.118 -5.478 -0.970) 21.838 2.518 ( -2.504 -1.976 -2.875) 4.294 2.837 ( -2.066 0.727 -0.894) 2.365 2.952 ( 1.281 -1.537 1.197) 2.332 3.023 ( 0.998 3.209 4.332) 5.482 3.204 ( 1.617 -1.988 -0.141) 2.566 3.425 ( -2.425 0.347 0.957) 2.630 3.723 ( 8.383 -0.972 4.220) 9.436 3.828 ( 0.919 -1.570 5.103) 5.417 3.986 ( 0.936 3.292 -0.002) 3.422 4.121 ( -1.916 -2.455 -4.852) 5.766 4.400 ( -1.556 -0.969 1.323) 2.261 4.680 ( -9.068 7.288 -10.226) 15.489 4.830 ( 4.316 -6.111 -1.372) 7.606 5.226 ( -6.128 1.361 -1.241) 6.399 5.501 ( -4.492 -0.422 1.223) 4.675 5.668 ( 1.218 -0.860 -1.173) 1.897 5.744 ( -2.184 6.354 9.303) 11.475 6.164 ( -3.739 0.547 -2.227) 4.386 6.386 ( -1.058 4.165 -0.449) 4.320 6.915 ( 4.705 -7.882 -1.849) 9.363 6.977 ( -4.923 11.212 -6.015) 13.643 7.410 ( -3.485 -5.630 0.677) 6.656 8.219 ( 6.304 0.696 -6.046) 8.762 8.572 ( -0.033 -9.975 -2.819) 10.366 8.830 ( 15.604 2.457 9.975) 18.682 9.595 ( 0.708 3.699 -2.294) 4.410 9.832 ( 4.689 -3.780 -7.790) 9.846 9.868 ( 0.540 -2.521 2.109) 3.331 10.236 ( -0.201 -1.292 4.078) 4.283 10.289 ( -0.229 4.119 -11.483) 12.201 10.557 ( -3.657 -4.379 5.253) 7.755 11.024 ( -6.903 3.708 -4.079) 8.834 11.436 ( -11.797 3.460 -1.217) 12.354 11.704 ( 1.819 -1.113 4.374) 4.866 12.217 ( -8.370 17.479 4.808) 19.968 12.597 ( -3.911 -2.128 -0.048) 4.453 12.796 ( -0.633 -2.541 -6.519) 7.026 13.335 ( 9.287 -7.910 0.449) 12.207 13.599 ( 1.068 -11.534 0.727) 11.607 14.168 ( 6.189 5.790 -2.004) 8.709 14.317 ( -2.287 -5.099 1.844) 5.885 14.698 ( -1.303 8.262 -0.220) 8.367 15.307 ( -12.966 5.451 -5.875) 15.243 16.297 ( 4.320 -4.015 -1.287) 6.037 16.721 ( 5.090 0.020 7.702) 9.232 16.909 ( -1.322 1.550 0.502) 2.098 17.520 ( -8.072 5.248 -9.879) 13.794 17.696 ( -5.490 -2.629 -9.749) 11.493 18.079 ( 11.008 -1.454 1.889) 11.263 18.814 ( 6.193 1.534 11.139) 12.837 18.844 ( -3.240 -4.476 5.049) 7.485 19.144 ( -3.610 3.913 3.589) 6.420 19.871 ( 1.728 -5.953 -1.757) 6.443 20.451 ( 3.367 2.352 -1.532) 4.383 20.960 ( -0.910 0.380 -0.450) 1.084 ======================= Grid point 112 (57/90) ======================= q-point: ( 0.38 -0.38 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 9.707 2.243 5.707) 11.481 2.337 ( 8.007 -5.928 5.165) 11.222 2.434 ( 3.204 3.428 -7.083) 8.496 2.809 ( -1.498 -1.275 1.307) 2.361 2.909 ( 1.011 -2.648 -9.172) 9.600 3.029 ( -1.651 -3.126 -2.623) 4.402 3.262 ( 6.449 -0.522 3.608) 7.408 3.362 ( -2.260 -0.998 -1.412) 2.846 3.679 ( -3.895 -5.800 -6.224) 9.357 3.937 ( -2.206 6.141 2.890) 7.136 4.017 ( -2.911 5.124 2.543) 6.418 4.219 ( 16.126 -2.511 3.920) 16.784 4.390 ( -5.580 -0.507 5.553) 7.889 4.535 ( -5.825 7.607 -5.041) 10.827 4.745 ( -3.496 -5.717 -3.972) 7.790 5.207 ( 4.597 2.578 0.862) 5.341 5.462 ( -3.183 -0.882 -0.063) 3.303 5.669 ( -0.042 -0.297 0.474) 0.561 5.898 ( 2.681 6.899 1.590) 7.571 6.131 ( -5.060 5.435 3.807) 8.345 6.316 ( -3.942 -3.937 -3.726) 6.703 6.787 ( -7.813 0.707 -4.475) 9.032 7.028 ( 7.230 5.665 -2.330) 9.475 7.319 ( -3.460 -6.384 -0.403) 7.273 8.257 ( 6.997 2.402 -3.517) 8.192 8.505 ( -0.192 -5.024 1.984) 5.405 9.140 ( 8.157 4.016 4.070) 9.962 9.611 ( 1.100 3.492 -0.218) 3.668 9.739 ( 2.078 -0.004 -8.883) 9.123 9.846 ( 0.509 -6.501 -0.208) 6.524 10.095 ( -1.178 2.281 -10.950) 11.247 10.377 ( -3.168 1.475 6.624) 7.489 10.530 ( 0.247 -2.383 4.066) 4.719 10.963 ( -5.469 6.441 1.537) 8.589 11.303 ( -10.206 5.806 -1.031) 11.787 11.856 ( 10.339 -3.560 5.306) 12.154 12.233 ( -10.919 5.992 4.904) 13.385 12.452 ( -9.255 3.695 -6.788) 12.057 12.720 ( 5.522 -3.413 -8.754) 10.898 13.365 ( 0.146 -5.881 4.098) 7.169 13.525 ( 5.550 -12.782 -1.673) 14.035 14.214 ( 2.312 -4.794 -1.791) 5.616 14.378 ( 1.750 6.051 7.833) 10.052 14.771 ( -1.431 11.665 -1.649) 11.868 15.078 ( -11.852 5.325 -7.115) 14.814 16.336 ( 4.300 -2.072 1.969) 5.164 16.695 ( -2.328 -10.328 1.284) 10.665 17.073 ( 6.449 8.632 0.082) 10.775 17.313 ( -8.806 7.004 -8.463) 14.079 17.523 ( -2.118 3.078 -6.362) 7.378 18.229 ( 8.929 -4.426 3.588) 10.592 18.796 ( -3.148 -7.189 3.912) 8.770 19.095 ( 3.871 4.594 9.329) 11.096 19.190 ( -2.132 0.470 7.192) 7.516 19.746 ( 0.176 -10.608 -5.263) 11.843 20.503 ( 3.263 4.343 -2.927) 6.170 20.943 ( -0.980 0.684 -0.651) 1.361 ======================= Grid point 113 (58/90) ======================= q-point: ( 0.50 -0.38 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -0.767 7.765 11.455) 13.861 2.300 ( -4.975 0.725 -6.258) 8.027 2.492 ( 7.793 -2.014 -3.632) 8.830 2.738 ( 0.764 -1.785 -9.776) 9.967 2.835 ( 2.793 -4.133 3.357) 6.013 2.961 ( 3.103 -5.618 -3.372) 7.250 3.316 ( 0.595 -3.299 -3.095) 4.562 3.380 ( 9.773 -4.993 -2.555) 11.268 3.519 ( -8.490 0.293 3.158) 9.063 3.899 ( -7.938 5.768 -5.068) 11.044 4.099 ( -0.343 6.286 4.758) 7.891 4.309 ( -3.079 2.015 0.983) 3.808 4.464 ( -5.762 10.544 2.660) 12.306 4.498 ( 5.411 -2.304 2.521) 6.399 4.720 ( 6.976 -2.749 1.934) 7.743 5.287 ( -2.169 0.346 -1.846) 2.869 5.385 ( 0.151 -4.484 -1.872) 4.861 5.670 ( -0.689 -1.929 1.671) 2.643 5.979 ( 3.183 7.522 -0.663) 8.195 6.092 ( -4.351 -2.563 -3.189) 5.972 6.278 ( 0.771 2.207 3.573) 4.269 6.663 ( -7.882 10.706 -3.494) 13.746 7.146 ( 6.866 1.882 0.880) 7.173 7.216 ( -2.913 -5.941 -1.325) 6.748 8.321 ( 6.686 1.212 -2.902) 7.388 8.551 ( 0.240 1.861 6.388) 6.658 9.078 ( -8.605 0.840 -11.790) 14.620 9.661 ( 0.925 1.896 -3.718) 4.274 9.745 ( 3.885 3.618 -1.103) 5.422 9.813 ( 3.406 1.196 1.501) 3.909 10.018 ( 4.446 -2.821 -3.024) 6.072 10.310 ( -7.451 -3.174 -0.243) 8.103 10.668 ( 1.086 3.723 8.032) 8.920 11.010 ( -3.634 9.335 4.921) 11.161 11.261 ( -2.662 7.327 0.616) 7.820 11.919 ( -0.791 -5.121 -4.087) 6.600 12.225 ( -3.973 -3.035 3.808) 6.284 12.358 ( -1.441 6.303 4.450) 7.849 12.596 ( 3.967 -3.611 -12.493) 13.596 13.310 ( -3.382 -9.136 1.246) 9.821 13.623 ( 10.626 -0.737 5.576) 12.023 14.182 ( 0.033 -5.086 0.257) 5.092 14.544 ( 0.806 3.759 4.239) 5.723 14.674 ( -9.523 9.763 -9.072) 16.380 14.987 ( -2.497 8.039 -1.257) 8.511 16.431 ( 2.928 1.039 5.336) 6.175 16.623 ( -0.592 -7.901 1.702) 8.104 17.003 ( -1.900 -2.185 -12.438) 12.771 17.289 ( 0.410 11.170 -1.351) 11.259 17.514 ( -0.603 10.138 -1.603) 10.281 18.342 ( 5.781 -6.801 4.815) 10.142 18.737 ( -2.890 -6.399 -0.025) 7.022 19.176 ( -5.928 -3.490 7.895) 10.472 19.286 ( 2.149 -4.786 2.907) 5.998 19.693 ( 5.908 -2.351 2.225) 6.737 20.493 ( 0.313 2.830 -6.330) 6.941 20.931 ( -0.547 1.019 -0.406) 1.226 ======================= Grid point 114 (59/90) ======================= q-point: (-0.38 -0.38 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -3.764 11.064 14.247) 18.427 2.128 ( 4.030 -4.878 -12.210) 13.752 2.413 ( 1.299 -2.386 -13.664) 13.931 2.616 ( -4.271 1.174 -5.637) 7.169 2.906 ( 2.718 -1.772 5.404) 6.303 2.969 ( 7.653 -8.351 1.373) 11.410 3.227 ( 0.380 -4.242 -3.944) 5.805 3.398 ( -5.384 -4.364 -6.571) 9.551 3.438 ( -2.662 0.040 3.019) 4.025 3.834 ( -2.504 7.250 3.720) 8.524 4.213 ( 4.948 6.468 -0.935) 8.197 4.327 ( -3.589 2.494 2.246) 4.914 4.493 ( -0.356 1.842 2.687) 3.277 4.569 ( -2.429 2.545 -1.541) 3.841 4.818 ( 4.624 -1.982 -0.056) 5.032 5.126 ( -1.796 -2.004 -2.499) 3.673 5.375 ( 1.885 -4.733 0.734) 5.147 5.663 ( -2.939 -2.548 3.071) 4.956 5.977 ( -4.268 1.262 -1.913) 4.845 6.128 ( 5.039 6.028 2.600) 8.276 6.344 ( 1.485 1.728 0.379) 2.310 6.672 ( -2.427 16.912 0.058) 17.085 7.112 ( -0.735 -3.258 -4.926) 5.951 7.248 ( 2.556 -1.491 3.640) 4.691 8.364 ( 6.462 -0.525 -3.832) 7.531 8.672 ( -1.895 4.447 -1.886) 5.189 8.802 ( -8.291 2.123 0.000) 8.559 9.649 ( 2.902 -0.895 -3.543) 4.667 9.689 ( -1.315 4.746 -4.995) 7.015 9.922 ( 1.610 7.488 -5.405) 9.374 10.076 ( 6.342 -10.193 3.580) 12.527 10.204 ( -5.216 0.647 3.497) 6.313 10.779 ( 1.099 1.745 2.531) 3.265 11.149 ( -2.497 12.652 9.009) 15.731 11.334 ( 2.390 11.422 -2.438) 11.922 11.753 ( -6.419 -9.802 0.153) 11.718 12.190 ( -2.429 -1.947 2.347) 3.898 12.396 ( -5.660 -2.318 -1.242) 6.241 12.628 ( 17.025 5.759 -1.603) 18.044 13.232 ( -2.421 -5.615 1.656) 6.335 13.842 ( 6.902 1.816 4.683) 8.536 14.077 ( -7.051 -5.960 -5.307) 10.649 14.465 ( -6.036 5.787 0.772) 8.398 14.721 ( 7.280 5.376 -0.330) 9.055 14.993 ( -4.006 8.374 -1.588) 9.418 16.557 ( -0.719 2.591 6.564) 7.093 16.621 ( 2.849 -5.135 4.304) 7.281 16.778 ( -1.976 -4.496 -11.864) 12.841 17.369 ( 4.428 9.729 -3.159) 11.146 17.560 ( -2.875 12.328 -1.345) 12.730 18.391 ( 2.141 -9.303 1.361) 9.642 18.621 ( -2.670 -6.452 -1.998) 7.263 19.160 ( -3.240 -12.101 8.693) 15.248 19.286 ( -0.372 -1.509 0.877) 1.784 19.857 ( 5.402 1.443 6.523) 8.591 20.380 ( -1.786 0.911 -9.568) 9.776 20.933 ( -0.009 1.217 -0.080) 1.219 ======================= Grid point 115 (60/90) ======================= q-point: (-0.25 -0.38 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 14.199 -9.994 -14.136) 22.390 2.154 ( 6.116 -5.948 -23.168) 24.688 2.306 ( -2.958 10.435 16.232) 19.523 2.567 ( -8.887 6.512 7.581) 13.374 2.950 ( 0.216 -4.298 1.169) 4.460 3.004 ( -2.775 2.234 -4.878) 6.040 3.161 ( -4.099 -3.185 0.155) 5.193 3.203 ( 1.001 -4.442 0.297) 4.563 3.482 ( 0.596 -1.403 4.348) 4.608 3.946 ( -1.850 8.839 3.956) 9.859 4.168 ( -1.327 -20.231 -18.579) 27.500 4.287 ( 2.046 -7.320 -2.392) 7.968 4.339 ( 4.308 5.307 -2.495) 7.276 4.713 ( -3.589 12.621 11.994) 17.777 4.828 ( -0.274 0.329 0.238) 0.490 5.212 ( 3.668 8.013 2.288) 9.104 5.410 ( 4.431 -5.004 3.037) 7.341 5.642 ( -5.623 0.428 3.789) 6.794 5.930 ( -2.948 2.523 1.040) 4.017 6.234 ( -0.515 3.907 1.353) 4.166 6.345 ( 1.352 -0.448 -2.915) 3.244 6.856 ( 5.578 17.553 3.407) 18.730 7.009 ( 2.458 -3.156 -7.408) 8.419 7.283 ( -3.110 -1.716 3.617) 5.069 8.341 ( 0.978 -0.117 -9.891) 9.940 8.484 ( -2.867 -2.586 -4.132) 5.655 8.970 ( 1.789 5.982 10.649) 12.344 9.574 ( 2.434 -3.092 -6.608) 7.691 9.734 ( 2.317 4.538 2.289) 5.586 9.881 ( -1.449 8.070 -6.189) 10.272 9.982 ( -3.882 -5.703 -5.001) 8.521 10.328 ( 2.928 -0.954 9.103) 9.610 10.795 ( 2.288 -0.044 -4.138) 4.729 11.350 ( -0.971 5.912 0.984) 6.071 11.378 ( -0.383 15.963 2.802) 16.212 11.706 ( 1.032 -6.896 7.622) 10.330 12.207 ( -1.806 2.998 3.390) 4.873 12.293 ( -5.459 -4.438 1.343) 7.163 12.888 ( 15.467 9.215 -2.068) 18.123 13.206 ( -1.374 -0.972 1.510) 2.262 13.694 ( -19.433 -3.335 -6.018) 20.615 14.009 ( 6.514 -4.710 -1.833) 8.245 14.559 ( 4.180 6.309 2.733) 8.047 14.871 ( 5.912 2.177 5.558) 8.401 14.989 ( -1.122 9.329 -1.829) 9.573 16.522 ( -1.720 -7.448 -9.129) 11.906 16.627 ( -4.374 -1.600 3.622) 5.900 16.739 ( 3.304 0.688 6.285) 7.134 17.466 ( 6.991 7.880 -3.295) 11.038 17.609 ( -1.869 15.091 -1.114) 15.247 18.241 ( -1.618 -11.971 -8.812) 14.952 18.599 ( 0.290 -5.377 6.115) 8.148 19.171 ( 0.652 -12.984 9.113) 15.876 19.272 ( -3.106 -0.030 0.511) 3.148 19.889 ( -8.674 -0.624 -4.249) 9.678 20.297 ( 6.336 0.531 -2.971) 7.018 20.944 ( 0.157 1.105 0.130) 1.124 ======================= Grid point 116 (61/90) ======================= q-point: (-0.12 -0.38 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 13.038 -11.480 -18.027) 25.035 1.939 ( 17.236 -10.097 -16.018) 25.605 2.537 ( -3.050 6.884 11.551) 13.788 2.660 ( -8.223 7.758 12.138) 16.587 2.822 ( -6.790 -2.319 -6.067) 9.396 2.918 ( -1.877 2.545 -1.919) 3.699 3.140 ( 1.123 1.232 1.306) 2.118 3.269 ( 0.033 -3.054 6.531) 7.210 3.512 ( 0.585 -6.375 -1.781) 6.645 3.762 ( 8.444 -22.276 -11.900) 26.630 4.001 ( -0.382 2.973 -1.235) 3.242 4.289 ( -2.254 0.545 6.619) 7.014 4.401 ( 6.303 4.520 -6.087) 9.860 4.837 ( 0.338 1.533 0.745) 1.738 4.891 ( -8.650 8.015 12.224) 16.985 5.343 ( 5.669 9.370 -3.920) 11.632 5.397 ( -1.341 -4.765 -0.507) 4.976 5.666 ( -7.858 5.091 8.347) 12.544 5.955 ( -3.254 -0.758 5.238) 6.213 6.208 ( -2.235 1.821 -4.279) 5.160 6.323 ( 5.628 -1.100 -5.047) 7.640 6.921 ( 4.876 -1.683 -7.727) 9.290 7.157 ( 9.353 13.657 5.420) 17.417 7.244 ( -7.564 -1.411 3.036) 8.271 8.181 ( -2.394 -1.152 -6.037) 6.596 8.441 ( 3.920 -4.490 -3.601) 6.964 9.076 ( 3.964 -5.788 -4.203) 8.178 9.574 ( 3.258 3.722 3.067) 5.820 9.768 ( -4.403 2.445 -0.825) 5.103 9.825 ( -3.502 -1.287 -4.271) 5.671 9.947 ( 5.832 6.194 4.521) 9.634 10.448 ( -0.014 0.723 4.880) 4.933 10.731 ( 1.463 -0.162 -8.692) 8.816 11.323 ( 2.701 0.150 -4.157) 4.960 11.593 ( -0.057 12.204 7.584) 14.368 11.800 ( 0.159 2.867 3.954) 4.886 12.169 ( -10.339 0.256 -1.199) 10.412 12.316 ( 1.697 0.571 9.348) 9.518 12.998 ( -5.129 -3.383 -2.184) 6.520 13.234 ( 0.166 10.362 -1.670) 10.497 13.430 ( -0.792 -0.534 -1.512) 1.788 13.990 ( 3.919 -6.088 -3.454) 8.022 14.610 ( 0.484 1.713 -5.080) 5.382 15.028 ( -3.324 5.131 4.745) 7.739 15.121 ( 10.167 5.572 6.137) 13.118 16.318 ( -1.924 -7.871 -5.798) 9.964 16.573 ( -6.029 -2.808 -0.185) 6.653 16.891 ( 2.987 2.367 8.439) 9.260 17.577 ( 8.180 5.524 -3.656) 10.526 17.715 ( 0.951 15.892 -0.589) 15.932 18.018 ( 1.169 -11.252 -7.501) 13.574 18.665 ( 0.162 -4.313 7.257) 8.443 19.185 ( -14.529 -6.771 8.977) 18.372 19.231 ( 8.760 -7.706 -2.195) 11.871 19.604 ( -10.399 1.593 -11.368) 15.488 20.403 ( 6.710 -0.466 1.979) 7.011 20.956 ( 0.096 0.702 0.330) 0.782 ======================= Grid point 119 (62/90) ======================= q-point: ( 0.25 -0.25 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 19.537 1.328 10.991) 22.456 1.764 ( 28.361 0.300 -1.068) 28.383 2.539 ( 0.750 -6.395 6.441) 9.107 2.831 ( 0.827 -1.418 1.942) 2.543 2.888 ( -0.832 -1.432 -6.263) 6.479 3.072 ( 2.342 -0.033 3.171) 3.943 3.115 ( 8.140 -3.348 -0.231) 8.805 3.422 ( -2.515 -2.773 -2.847) 4.703 3.500 ( 13.617 -5.508 -2.959) 14.983 3.896 ( -4.734 -4.427 -3.991) 7.612 3.998 ( -0.376 6.576 -2.459) 7.030 4.167 ( -5.422 1.760 1.091) 5.804 4.421 ( -0.780 0.870 -1.269) 1.725 4.749 ( -0.860 -1.672 3.003) 3.543 4.901 ( -10.245 15.282 4.112) 18.852 5.312 ( -13.944 -2.983 -5.215) 15.183 5.488 ( 1.785 -4.018 -3.443) 5.584 5.645 ( 0.795 7.064 0.627) 7.136 5.959 ( -6.658 4.168 5.082) 9.356 6.163 ( 5.146 0.090 2.575) 5.755 6.399 ( -2.973 -4.469 -3.447) 6.379 6.763 ( 7.361 -5.085 0.768) 8.980 7.071 ( -7.612 12.377 -5.352) 15.485 7.423 ( -4.349 -4.608 -1.410) 6.491 8.102 ( 3.991 -0.082 -0.583) 4.034 8.447 ( 4.706 -7.214 -0.957) 8.666 8.782 ( 16.564 1.992 11.751) 20.406 9.583 ( 0.767 6.638 -2.662) 7.193 9.706 ( -0.623 -2.861 -0.895) 3.062 9.837 ( 1.646 -4.182 0.905) 4.585 10.185 ( -2.662 3.778 -11.806) 12.678 10.315 ( 2.795 1.399 9.256) 9.770 10.620 ( -4.232 -2.051 -0.337) 4.715 11.140 ( -6.257 5.377 2.137) 8.522 11.604 ( -7.930 1.270 1.007) 8.094 11.781 ( -8.740 3.757 0.908) 9.557 12.436 ( -1.184 -16.370 -2.139) 16.551 12.552 ( -6.209 16.752 0.514) 17.873 12.779 ( -4.458 9.629 -10.787) 15.131 13.231 ( 5.290 -3.809 4.851) 8.125 13.506 ( -1.624 -15.925 1.746) 16.102 14.021 ( 11.663 -0.220 -3.309) 12.125 14.394 ( -1.259 2.675 5.800) 6.510 14.811 ( -2.189 8.518 2.944) 9.274 15.400 ( -11.206 4.234 -9.979) 15.591 16.220 ( 4.403 -2.612 2.295) 5.611 16.711 ( 1.775 -6.893 2.196) 7.449 16.955 ( -0.370 6.992 -0.468) 7.017 17.566 ( -3.923 -4.486 -5.703) 8.248 17.612 ( -6.483 7.926 -6.680) 12.226 17.952 ( 9.114 -2.260 1.928) 9.585 18.817 ( 2.372 -5.243 -0.011) 5.754 18.918 ( 6.749 7.075 9.078) 13.343 19.351 ( -8.403 -0.562 10.196) 13.224 19.741 ( 0.207 -13.427 -5.581) 14.542 20.380 ( 6.054 4.905 -2.973) 8.340 20.966 ( -0.644 0.387 -0.694) 1.023 ======================= Grid point 120 (63/90) ======================= q-point: ( 0.38 -0.25 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 12.091 10.353 18.696) 24.555 2.121 ( 21.573 0.807 2.838) 21.774 2.498 ( -8.825 0.577 -0.316) 8.849 2.723 ( -4.107 -2.330 -11.335) 12.279 2.861 ( -0.566 -1.829 2.406) 3.075 2.928 ( -1.483 -6.828 -9.202) 11.554 3.180 ( 4.294 0.253 -1.897) 4.701 3.332 ( -1.581 -2.799 -1.829) 3.698 3.651 ( 4.000 -4.375 -1.451) 6.103 3.933 ( 5.867 0.626 2.670) 6.476 3.989 ( 14.364 -0.171 0.267) 14.368 4.195 ( -4.449 4.289 6.736) 9.141 4.405 ( 2.721 -1.736 -1.753) 3.673 4.761 ( -6.826 5.377 4.477) 9.775 4.797 ( -17.301 3.806 -6.542) 18.884 5.206 ( 2.319 4.564 3.305) 6.094 5.455 ( 0.314 -5.952 0.289) 5.967 5.675 ( -2.473 2.659 -2.617) 4.477 5.964 ( -2.662 5.882 -1.118) 6.553 6.205 ( -3.353 -8.100 -3.088) 9.295 6.283 ( 1.135 0.172 3.572) 3.752 6.844 ( -0.280 0.963 3.519) 3.659 7.020 ( -2.863 14.953 -4.609) 15.907 7.306 ( -3.300 -6.163 -2.017) 7.276 8.171 ( 4.494 0.874 0.662) 4.626 8.482 ( 4.723 -2.432 2.757) 5.985 9.110 ( 8.203 1.728 4.402) 9.469 9.577 ( 1.825 6.745 -5.279) 8.757 9.692 ( -3.005 -0.797 2.328) 3.884 9.814 ( -0.294 -6.600 1.901) 6.875 9.993 ( -1.380 6.753 -11.332) 13.264 10.472 ( -3.694 -1.536 -0.705) 4.062 10.606 ( 2.625 1.533 10.268) 10.709 11.158 ( -6.286 8.381 5.279) 11.732 11.490 ( -12.037 8.067 -3.442) 14.894 11.784 ( 3.392 -4.146 3.543) 6.423 12.269 ( 1.090 -14.495 -4.089) 15.100 12.414 ( -4.435 1.139 -8.931) 10.036 12.780 ( -11.422 16.834 0.438) 20.348 13.317 ( 9.153 -7.748 -1.057) 12.039 13.405 ( -2.194 -6.658 4.088) 8.115 14.092 ( 6.922 -4.018 -0.902) 8.054 14.504 ( 0.060 3.461 6.491) 7.356 14.903 ( -3.948 10.629 2.057) 11.524 15.139 ( -9.212 5.171 -10.507) 14.900 16.326 ( 4.752 -1.587 6.348) 8.087 16.630 ( -0.712 -9.673 -0.914) 9.742 16.997 ( 2.328 4.088 -8.033) 9.309 17.453 ( -10.413 6.537 -1.336) 12.367 17.521 ( -1.525 8.634 -1.159) 8.844 18.116 ( 10.805 -4.771 4.576) 12.667 18.780 ( 0.456 -3.234 -2.559) 4.149 19.168 ( 4.538 -0.366 7.710) 8.954 19.379 ( -6.692 0.374 8.265) 10.642 19.543 ( 4.094 -15.521 -5.413) 16.940 20.446 ( 3.338 4.962 -3.390) 6.874 20.950 ( -0.735 0.671 -0.654) 1.191 ======================= Grid point 121 (64/90) ======================= q-point: ( 0.50 -0.25 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 1.288 11.150 17.730) 20.984 2.184 ( -8.540 -2.157 -16.939) 19.092 2.376 ( 2.675 -2.117 -5.848) 6.770 2.569 ( 6.169 -0.393 -4.910) 7.894 2.786 ( 1.894 -6.110 1.142) 6.498 2.920 ( -0.883 -1.567 4.914) 5.232 3.169 ( 3.438 -2.532 -3.715) 5.660 3.301 ( 2.435 -2.147 1.044) 3.410 3.664 ( -0.764 -0.254 1.252) 1.488 3.861 ( -1.710 3.962 -8.973) 9.956 4.226 ( -5.329 2.868 2.150) 6.422 4.343 ( 11.831 -1.944 10.394) 15.868 4.408 ( 1.238 0.489 -2.441) 2.780 4.591 ( -0.561 3.234 -2.645) 4.216 4.781 ( -6.146 5.975 2.984) 9.077 5.266 ( -6.382 -3.985 -6.170) 9.730 5.372 ( -1.251 -3.621 3.820) 5.410 5.617 ( 5.526 -2.834 -1.924) 6.501 5.973 ( 2.531 4.623 -2.261) 5.735 6.105 ( -4.383 -0.391 0.939) 4.500 6.344 ( -1.376 2.966 2.147) 3.911 6.842 ( -8.156 12.084 0.140) 14.580 7.122 ( 4.665 7.028 2.478) 8.792 7.188 ( -2.858 -6.952 -1.859) 7.743 8.229 ( 3.620 -1.118 0.027) 3.789 8.607 ( 5.558 3.028 4.031) 7.504 9.033 ( -7.477 1.399 -11.844) 14.076 9.629 ( 0.011 1.370 1.866) 2.314 9.715 ( 0.083 4.030 -2.554) 4.772 9.820 ( 4.324 -3.528 5.480) 7.821 9.936 ( 1.539 2.705 -3.298) 4.534 10.367 ( -5.216 -0.835 -1.920) 5.620 10.771 ( 0.386 1.124 5.625) 5.749 11.260 ( -4.011 12.806 7.605) 15.424 11.367 ( -6.656 10.044 -4.375) 12.819 11.821 ( 2.087 -7.936 0.955) 8.261 12.162 ( 5.173 -13.173 -1.485) 14.231 12.321 ( 1.979 7.268 -5.597) 9.384 12.698 ( -15.222 3.889 4.087) 16.234 13.277 ( 0.650 -9.867 0.990) 9.938 13.529 ( 10.762 5.356 0.112) 12.022 14.133 ( 2.871 -3.367 1.388) 4.637 14.605 ( 1.057 1.391 4.126) 4.481 14.763 ( -12.229 5.632 -10.489) 17.067 15.096 ( -2.810 10.944 1.634) 11.416 16.478 ( 5.615 -4.374 7.234) 10.149 16.573 ( 0.611 -2.975 0.930) 3.177 16.858 ( -2.374 -2.008 -9.985) 10.457 17.384 ( -6.543 9.570 -1.478) 11.687 17.608 ( -0.673 12.576 1.037) 12.637 18.260 ( 7.458 -7.572 4.733) 11.635 18.692 ( -1.770 -4.226 -5.239) 6.960 19.147 ( 0.832 -13.248 -2.514) 13.510 19.414 ( -5.963 0.265 8.211) 10.151 19.605 ( 12.190 -3.428 5.181) 13.682 20.431 ( -1.118 2.850 -5.493) 6.288 20.941 ( -0.519 0.960 -0.308) 1.134 ======================= Grid point 122 (65/90) ======================= q-point: (-0.38 -0.25 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -1.846 -8.657 -20.714) 22.526 2.094 ( -1.592 -7.298 -23.611) 24.764 2.397 ( -4.088 9.628 15.225) 18.472 2.655 ( 3.234 2.353 2.075) 4.506 2.918 ( 5.866 -0.299 10.064) 11.653 2.965 ( -1.773 -1.878 5.805) 6.354 3.159 ( 2.015 -2.291 -0.106) 3.053 3.347 ( 0.286 -2.063 -0.754) 2.215 3.526 ( -8.859 -1.439 -3.799) 9.746 3.876 ( 10.198 1.852 0.121) 10.366 4.214 ( -6.106 6.105 -0.293) 8.639 4.274 ( -2.061 -15.877 -15.124) 22.024 4.404 ( -5.946 -0.217 -3.080) 6.700 4.687 ( 6.563 6.981 1.180) 9.654 4.804 ( 1.512 -0.232 8.063) 8.207 5.171 ( -0.531 10.286 2.774) 10.666 5.375 ( -2.343 -5.901 4.494) 7.779 5.656 ( 2.435 -1.826 -1.301) 3.311 6.051 ( -6.137 3.242 -0.607) 6.967 6.090 ( 10.772 5.386 0.259) 12.047 6.354 ( -1.652 0.783 0.225) 1.842 6.864 ( -4.621 15.341 0.292) 16.024 7.051 ( -4.743 -5.378 -3.548) 8.001 7.276 ( 3.153 1.937 5.827) 6.903 8.251 ( 2.870 -2.448 -1.178) 3.952 8.648 ( -5.139 2.387 -9.540) 11.096 8.867 ( 3.804 1.179 -1.242) 4.172 9.608 ( -4.288 2.139 -6.573) 8.134 9.678 ( -0.037 2.258 4.073) 4.657 9.916 ( -0.265 7.585 -3.520) 8.366 9.997 ( 4.693 -9.425 6.773) 12.519 10.293 ( -2.315 1.968 -0.073) 3.040 10.776 ( -1.258 -0.367 -3.009) 3.282 11.345 ( 0.805 10.968 -5.662) 12.369 11.453 ( -3.734 15.928 9.738) 19.038 11.758 ( -3.276 -8.343 2.706) 9.363 12.173 ( 6.085 -10.565 5.872) 13.533 12.389 ( 4.820 14.677 -6.713) 16.844 12.622 ( -6.803 -3.510 8.273) 11.271 13.246 ( -0.801 -4.321 2.254) 4.938 13.706 ( 14.032 2.013 -3.340) 14.563 14.104 ( -7.593 -1.497 -2.044) 8.004 14.544 ( -4.616 3.299 -5.287) 7.755 14.683 ( 3.340 2.265 0.997) 4.156 15.156 ( -6.300 10.647 3.631) 12.893 16.513 ( 2.059 -3.869 -6.078) 7.493 16.619 ( 3.975 -7.849 2.023) 9.028 16.761 ( -3.315 2.795 6.994) 8.229 17.369 ( -1.480 8.833 -3.460) 9.601 17.689 ( -2.918 13.799 -0.294) 14.107 18.271 ( 0.357 -11.497 -3.182) 11.935 18.579 ( 0.359 -4.687 -0.597) 4.738 19.053 ( 4.495 -11.194 -2.266) 12.273 19.446 ( -6.244 -0.410 8.042) 10.190 19.836 ( 12.553 -2.369 6.450) 14.311 20.300 ( -6.248 0.696 -8.444) 10.527 20.943 ( -0.135 1.094 0.077) 1.105 ======================= Grid point 123 (66/90) ======================= q-point: (-0.25 -0.25 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 11.718 -12.437 -20.571) 26.742 1.679 ( 3.138 -12.422 -24.230) 27.409 2.613 ( -1.945 6.456 12.952) 14.602 2.736 ( 0.290 3.597 1.681) 3.981 2.969 ( -0.989 -2.955 -1.236) 3.353 3.056 ( -4.246 3.080 2.795) 5.944 3.148 ( -4.425 -0.180 -3.318) 5.534 3.283 ( -2.282 -2.508 11.099) 11.606 3.482 ( 2.396 -9.377 -4.455) 10.654 3.689 ( -3.814 -22.064 -14.901) 26.896 4.083 ( 5.902 6.187 3.391) 9.198 4.187 ( -3.439 -0.059 -1.395) 3.712 4.362 ( -0.511 4.207 0.467) 4.264 4.802 ( 3.085 -1.691 -1.433) 3.798 4.973 ( 1.364 12.478 9.349) 15.651 5.297 ( 0.194 7.312 -0.880) 7.367 5.430 ( -1.729 2.321 9.035) 9.488 5.645 ( 3.463 -0.266 -2.356) 4.197 5.990 ( -0.218 3.322 -2.108) 3.941 6.248 ( 2.906 0.642 -0.895) 3.108 6.328 ( -2.012 -0.472 1.758) 2.713 6.856 ( -1.071 -5.742 -8.086) 9.975 6.999 ( -0.376 14.642 3.944) 15.168 7.377 ( -1.671 0.511 5.437) 5.711 8.216 ( -0.158 -1.602 -5.360) 5.597 8.444 ( -4.257 -2.139 -5.858) 7.550 8.898 ( 8.437 -7.333 -8.350) 13.953 9.537 ( -0.548 6.622 -1.779) 6.878 9.792 ( 3.934 4.165 3.779) 6.863 9.886 ( -2.660 1.784 -2.917) 4.333 9.975 ( -7.424 -0.303 2.433) 7.818 10.367 ( 5.814 -0.934 3.510) 6.855 10.700 ( -0.255 1.344 -5.934) 6.089 11.331 ( -0.612 7.294 -6.998) 10.126 11.633 ( -4.728 10.325 7.325) 13.514 11.767 ( 1.626 2.483 5.746) 6.467 12.310 ( 2.565 -7.685 14.215) 16.361 12.418 ( -6.809 8.616 0.309) 10.986 12.727 ( 12.274 6.965 -1.564) 14.199 13.243 ( -1.452 -0.620 1.765) 2.368 13.794 ( 2.383 -5.336 -6.670) 8.868 13.857 ( -9.509 -2.021 -3.990) 10.508 14.534 ( 3.721 5.276 -4.284) 7.748 14.791 ( 8.742 1.934 1.352) 9.055 15.213 ( -7.510 8.032 8.694) 14.018 16.350 ( -1.071 -5.514 -9.171) 10.755 16.672 ( 4.081 -4.415 2.982) 6.711 16.865 ( -5.063 1.250 9.988) 11.267 17.392 ( 4.519 4.992 -2.888) 7.326 17.746 ( -2.683 14.583 -1.846) 14.942 18.051 ( -3.749 -11.828 -8.107) 14.822 18.619 ( 3.070 -4.411 5.871) 7.960 19.017 ( 6.976 -8.024 -4.001) 11.361 19.464 ( -7.028 -0.680 7.759) 10.490 19.978 ( -12.468 -2.065 -1.026) 12.679 20.125 ( 11.410 -2.343 -3.959) 12.302 20.954 ( 0.045 0.950 0.328) 1.006 ======================= Grid point 124 (67/90) ======================= q-point: (-0.12 -0.25 0.12) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 19.075 -6.665 -26.700) 33.484 1.428 ( 16.806 -23.220 -8.164) 29.804 2.545 ( -6.566 -18.615 -20.566) 28.506 2.786 ( -0.008 0.903 7.260) 7.316 2.875 ( 0.520 -4.512 -4.799) 6.608 2.962 ( 0.202 -4.332 -1.135) 4.482 3.109 ( 2.331 1.444 -1.451) 3.102 3.287 ( -3.175 -3.107 6.829) 8.147 3.396 ( -2.507 2.150 6.949) 7.694 3.721 ( 1.048 -2.562 12.487) 12.790 4.049 ( -7.427 0.635 -0.271) 7.459 4.266 ( 7.600 2.205 -3.118) 8.506 4.443 ( -1.387 8.721 5.509) 10.408 4.766 ( 1.276 -2.586 -2.577) 3.867 5.245 ( 4.532 15.660 -3.378) 16.649 5.293 ( -1.562 -2.384 9.888) 10.291 5.446 ( -9.968 5.431 1.437) 11.442 5.716 ( 7.056 4.736 -0.602) 8.519 6.091 ( 9.271 2.513 1.685) 9.752 6.144 ( -3.237 -2.800 -7.583) 8.707 6.282 ( -13.164 -5.042 4.917) 14.929 6.712 ( 5.108 -6.102 -7.718) 11.085 7.225 ( 6.773 14.371 3.896) 16.358 7.389 ( -6.352 0.022 4.510) 7.790 8.105 ( -0.611 -0.780 -5.592) 5.679 8.340 ( -0.884 -6.385 -2.175) 6.803 8.756 ( 8.452 -13.423 -13.947) 21.122 9.618 ( 3.413 5.523 1.548) 6.674 9.795 ( -1.566 4.451 -7.119) 8.541 9.811 ( -2.379 -2.567 -3.023) 4.624 10.077 ( -0.810 5.924 14.562) 15.742 10.439 ( 6.206 1.222 -6.837) 9.314 10.644 ( -2.453 2.892 -1.402) 4.043 11.272 ( -1.636 2.118 -3.667) 4.540 11.716 ( 0.011 8.951 0.743) 8.981 11.928 ( 0.378 8.587 5.467) 10.186 12.341 ( -13.589 1.776 1.330) 13.769 12.493 ( -1.241 -2.751 17.030) 17.296 12.941 ( 10.676 8.652 -4.208) 14.371 13.248 ( 2.295 6.931 -2.505) 7.719 13.476 ( -14.660 -4.474 -5.202) 16.186 13.831 ( 5.669 -10.519 -1.590) 12.055 14.528 ( 1.703 3.131 -6.912) 7.777 14.933 ( 7.935 3.017 -3.495) 9.180 15.357 ( -2.200 4.509 15.470) 16.263 16.204 ( 0.352 -3.584 -4.976) 6.143 16.653 ( -7.400 -4.016 0.426) 8.430 16.971 ( 3.615 3.133 7.413) 8.822 17.477 ( 4.374 -0.248 0.661) 4.431 17.721 ( 3.961 -3.278 -8.269) 9.737 17.916 ( -2.777 6.282 0.836) 6.920 18.711 ( 0.674 -4.016 5.463) 6.813 19.005 ( 10.120 -2.508 -6.784) 12.439 19.464 ( -10.539 -4.838 10.804) 15.849 19.619 ( -16.649 0.007 -11.342) 20.145 20.296 ( 11.626 -3.391 2.506) 12.367 20.966 ( 0.001 0.562 0.494) 0.748 ======================= Grid point 152 (68/90) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -0.000 0.000 -13.722) 13.722 2.301 ( 0.000 -0.000 17.448) 17.448 2.301 ( 0.000 -0.000 17.448) 17.448 2.861 ( 0.000 -0.000 -2.937) 2.937 2.861 ( 0.000 0.000 -2.937) 2.937 2.969 ( -0.000 0.000 -5.376) 5.376 3.171 ( 0.000 -0.000 4.953) 4.953 3.171 ( 0.000 -0.000 4.953) 4.953 3.750 ( 0.000 -0.000 0.970) 0.970 3.922 ( 0.000 0.000 -1.353) 1.353 3.922 ( -0.000 -0.000 -1.353) 1.353 4.400 ( 0.000 -0.000 24.848) 24.848 4.656 ( 0.000 0.000 -3.875) 3.875 4.656 ( -0.000 0.000 -3.875) 3.875 4.815 ( 0.000 -0.000 5.713) 5.713 5.055 ( -0.000 0.000 -2.786) 2.786 5.412 ( 0.000 0.000 -6.830) 6.830 5.412 ( -0.000 0.000 -6.830) 6.830 5.815 ( -0.000 0.000 -8.602) 8.602 6.280 ( -0.000 0.000 -8.701) 8.701 6.280 ( -0.000 0.000 -8.701) 8.701 6.915 ( 0.000 -0.000 4.662) 4.662 7.253 ( 0.000 0.000 0.471) 0.471 7.253 ( -0.000 -0.000 0.471) 0.471 8.748 ( 0.000 -0.000 5.554) 5.554 8.895 ( -0.000 0.000 -3.209) 3.209 8.895 ( -0.000 0.000 -3.209) 3.209 9.470 ( 0.000 -0.000 3.714) 3.714 9.470 ( 0.000 -0.000 3.714) 3.714 10.212 ( 0.000 -0.000 3.470) 3.470 10.212 ( -0.000 -0.000 3.470) 3.470 10.352 ( 0.000 -0.000 2.483) 2.483 11.060 ( -0.000 0.000 -2.624) 2.624 11.136 ( -0.000 0.000 -10.977) 10.977 11.136 ( -0.000 0.000 -10.977) 10.977 11.502 ( -0.000 0.000 -20.780) 20.780 11.941 ( 0.000 -0.000 4.743) 4.743 11.941 ( 0.000 -0.000 4.743) 4.743 13.588 ( 0.000 -0.000 6.033) 6.033 13.588 ( 0.000 -0.000 6.033) 6.033 13.794 ( -0.000 0.000 -4.171) 4.171 14.236 ( 0.000 -0.000 3.753) 3.753 14.554 ( 0.000 0.000 -7.486) 7.486 14.554 ( 0.000 0.000 -7.486) 7.486 14.831 ( -0.000 0.000 -6.866) 6.866 16.569 ( 0.000 -0.000 3.441) 3.441 16.569 ( 0.000 -0.000 3.441) 3.441 16.712 ( 0.000 -0.000 8.350) 8.350 17.735 ( -0.000 0.000 -12.569) 12.569 17.735 ( -0.000 0.000 -12.569) 12.569 18.426 ( 0.000 -0.000 11.073) 11.073 18.426 ( 0.000 -0.000 11.073) 11.073 18.434 ( 0.000 -0.000 3.451) 3.451 19.241 ( -0.000 0.000 -8.852) 8.852 20.190 ( 0.000 -0.000 4.533) 4.533 20.190 ( -0.000 -0.000 4.533) 4.533 20.955 ( -0.000 0.000 -1.044) 1.044 ======================= Grid point 153 (69/90) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -3.428 -0.123 -12.990) 13.435 2.474 ( 2.151 2.207 8.065) 8.633 2.520 ( 2.128 -2.330 3.313) 4.575 2.761 ( -1.732 -6.920 2.173) 7.457 2.842 ( -4.037 4.407 2.511) 6.482 3.019 ( 8.719 3.808 -0.162) 9.516 3.121 ( -9.552 -3.462 5.314) 11.466 3.285 ( 0.356 -2.904 5.767) 6.467 3.726 ( -3.476 2.141 2.486) 4.780 3.872 ( 1.064 -1.462 -0.926) 2.031 4.077 ( 11.527 4.480 -3.150) 12.762 4.322 ( -9.635 -0.915 -9.711) 13.710 4.518 ( -6.465 -3.820 -3.750) 8.394 4.644 ( 1.256 1.789 -7.048) 7.380 5.011 ( 1.886 -4.526 8.974) 10.227 5.206 ( 1.098 0.285 24.541) 24.567 5.325 ( 5.633 -7.098 -5.457) 10.578 5.384 ( -1.480 14.518 -6.653) 16.039 5.685 ( -0.168 -0.708 -5.785) 5.831 6.155 ( 2.475 2.361 -9.684) 10.271 6.171 ( 2.893 -0.380 -10.940) 11.323 6.916 ( -2.927 -3.664 0.260) 4.697 7.183 ( -4.754 -1.561 0.304) 5.013 7.350 ( 4.877 2.995 1.225) 5.853 8.617 ( -9.441 -6.415 -6.528) 13.149 8.838 ( -2.786 7.128 -5.980) 9.712 8.875 ( 4.939 -4.354 -1.328) 6.717 9.525 ( -1.767 -0.675 6.163) 6.446 9.649 ( 4.895 1.444 10.210) 11.415 10.123 ( -5.476 -4.962 0.245) 7.394 10.285 ( 2.169 2.524 -6.173) 7.013 10.373 ( 1.925 2.220 -2.750) 4.024 10.814 ( -9.403 -9.247 -3.759) 13.714 11.015 ( -3.669 10.709 -6.762) 13.186 11.229 ( 9.293 -0.944 -15.282) 17.911 11.301 ( 7.655 2.220 1.105) 8.047 11.965 ( -3.185 -2.547 4.942) 6.407 12.104 ( 8.359 5.101 5.311) 11.140 13.441 ( -15.677 -6.891 -0.178) 17.126 13.723 ( 0.844 -1.923 7.248) 7.546 13.758 ( 0.398 -2.154 -0.526) 2.253 14.192 ( -9.760 -0.877 -5.034) 11.017 14.364 ( 4.122 -2.497 -2.441) 5.402 14.598 ( 1.351 4.533 -8.091) 9.372 14.813 ( 12.052 6.282 -7.140) 15.352 16.558 ( -4.518 -1.414 0.344) 4.746 16.621 ( -0.175 -5.059 7.189) 8.793 16.862 ( 1.755 5.330 6.897) 8.891 17.479 ( -0.843 -3.040 -14.763) 15.097 17.643 ( 6.332 5.379 -14.377) 16.605 18.396 ( -7.759 -3.936 5.505) 10.296 18.602 ( 3.809 -5.179 11.092) 12.821 18.680 ( 1.786 8.385 14.382) 16.743 19.131 ( -0.446 -0.177 -6.366) 6.385 20.107 ( -6.438 -5.307 2.079) 8.598 20.351 ( 5.136 3.898 1.692) 6.666 20.941 ( 0.291 0.188 -1.160) 1.211 ======================= Grid point 154 (70/90) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -9.370 -0.910 -9.410) 13.311 2.370 ( -2.172 -15.660 -8.171) 17.797 2.574 ( -2.528 9.990 -1.668) 10.439 2.797 ( 0.394 -1.282 5.860) 6.012 2.943 ( 1.013 -2.756 7.953) 8.478 3.052 ( -6.165 3.300 3.527) 7.832 3.205 ( 9.319 -0.347 4.430) 10.324 3.302 ( -2.869 -2.652 3.713) 5.390 3.774 ( -0.458 3.735 3.629) 5.228 3.861 ( 1.651 0.076 -2.088) 2.663 4.000 ( -2.761 -3.850 -8.883) 10.067 4.249 ( 1.759 4.654 -2.422) 5.533 4.375 ( -4.177 -0.136 -2.061) 4.660 4.541 ( -1.217 -1.854 -5.790) 6.201 5.077 ( 4.756 -4.087 0.953) 6.343 5.113 ( -8.897 -3.734 -10.324) 14.131 5.412 ( 3.314 6.683 1.600) 7.630 5.624 ( 2.284 2.873 17.543) 17.923 5.697 ( 2.289 1.595 0.950) 2.947 6.049 ( 2.725 6.842 -10.306) 12.667 6.168 ( 11.141 -0.851 -4.789) 12.157 6.810 ( -0.857 -8.450 -3.993) 9.385 7.118 ( -5.855 2.368 -0.001) 6.316 7.433 ( 2.571 2.196 0.184) 3.386 8.360 ( -8.040 -4.520 -6.208) 11.118 8.772 ( -6.297 9.149 -4.369) 11.935 8.875 ( 4.037 -10.842 1.608) 11.680 9.536 ( -1.618 -2.696 -0.325) 3.161 9.843 ( 2.944 2.938 5.865) 7.190 9.995 ( -3.772 -5.884 -3.704) 7.910 10.202 ( 1.244 4.554 -8.216) 9.476 10.305 ( -2.035 -2.971 -6.466) 7.401 10.684 ( -5.326 0.110 4.215) 6.793 10.948 ( -2.164 8.749 -8.632) 12.479 11.183 ( 10.127 3.165 -6.724) 12.561 11.553 ( 13.865 -1.688 9.301) 16.781 11.959 ( -3.273 -2.448 3.707) 5.518 12.353 ( 11.473 7.865 2.747) 14.179 13.140 ( -15.575 -6.675 -4.557) 17.547 13.671 ( -12.125 3.403 -0.935) 12.628 13.802 ( -2.438 -9.619 9.285) 13.590 14.014 ( 4.386 -5.788 -7.148) 10.190 14.399 ( -0.639 2.264 0.562) 2.419 14.528 ( 3.385 4.090 -7.590) 9.262 14.967 ( 14.054 8.644 -6.195) 17.625 16.457 ( -6.264 -2.251 -1.389) 6.800 16.685 ( 1.498 -9.879 8.601) 13.184 16.996 ( -2.647 10.790 3.098) 11.534 17.290 ( 5.506 -0.529 -13.298) 14.402 17.584 ( 6.900 5.149 -13.361) 15.895 18.322 ( -9.640 -5.539 5.876) 12.575 18.752 ( 2.411 -7.358 11.193) 13.610 18.960 ( -1.845 11.085 11.252) 15.902 19.060 ( 1.521 -1.852 -0.252) 2.410 20.011 ( -4.733 -4.890 0.754) 6.847 20.418 ( 1.974 1.839 -2.220) 3.495 20.936 ( 0.864 0.551 -1.037) 1.458 ======================= Grid point 155 (71/90) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -14.063 -4.735 -0.046) 14.839 2.064 ( -8.206 -20.170 -5.057) 22.354 2.587 ( -1.591 9.662 -1.439) 9.897 2.859 ( 1.008 -0.859 -1.846) 2.272 2.915 ( -2.855 -0.935 0.880) 3.130 3.101 ( -2.489 -0.320 4.806) 5.422 3.246 ( -4.865 1.204 -1.308) 5.179 3.376 ( 6.814 0.635 -0.430) 6.857 3.811 ( 1.702 -0.183 -4.397) 4.718 3.888 ( -2.033 3.300 1.773) 4.262 3.933 ( 3.663 -1.115 4.475) 5.889 4.156 ( -12.751 -4.613 2.306) 13.755 4.405 ( 12.039 2.258 -8.689) 15.018 4.458 ( 0.011 -2.523 3.235) 4.103 4.883 ( -6.182 0.691 -4.182) 7.496 5.130 ( 7.171 2.523 -3.332) 8.300 5.512 ( 2.880 2.085 2.098) 4.128 5.662 ( -5.563 -0.181 -1.560) 5.780 5.838 ( 1.971 4.107 5.247) 6.948 6.100 ( 8.069 3.961 -1.708) 9.149 6.285 ( 9.503 0.103 0.347) 9.510 6.701 ( 5.604 -7.852 -5.426) 11.068 7.056 ( -7.583 5.852 -1.184) 9.652 7.452 ( 0.309 1.573 -1.740) 2.366 8.198 ( -5.526 -1.169 -0.546) 5.675 8.662 ( -7.831 2.695 -5.087) 9.720 8.880 ( 1.477 -11.403 6.018) 12.978 9.453 ( 1.817 -4.312 -5.420) 7.160 9.803 ( -3.984 2.122 -6.663) 8.048 9.978 ( -3.564 0.829 5.815) 6.871 10.101 ( 0.306 1.478 -11.200) 11.301 10.279 ( 3.129 -1.585 4.676) 5.845 10.674 ( -4.185 3.131 -0.663) 5.269 10.943 ( 4.712 4.077 0.080) 6.231 11.312 ( 13.133 8.025 -4.090) 15.925 11.798 ( 0.593 -1.534 7.600) 7.776 12.020 ( 12.863 -5.677 5.869) 15.236 12.541 ( 7.653 10.355 -5.865) 14.149 12.836 ( -12.893 -1.893 -6.251) 14.453 13.490 ( -13.023 -2.603 1.004) 13.318 13.794 ( -8.266 4.851 3.966) 10.372 13.994 ( 7.983 -13.706 -1.383) 15.921 14.363 ( 0.105 -5.036 -0.303) 5.046 14.591 ( 5.872 8.529 -1.262) 10.432 15.111 ( 12.255 8.230 -8.010) 16.795 16.354 ( -5.398 -1.914 0.760) 5.778 16.739 ( 2.434 -11.286 6.820) 13.410 16.996 ( -6.277 8.635 -3.490) 11.231 17.311 ( 11.116 8.646 -5.101) 14.978 17.508 ( 4.993 1.624 -13.138) 14.148 18.228 ( -11.683 -5.490 7.120) 14.742 18.836 ( 0.716 -6.377 3.333) 7.231 18.974 ( -3.099 -3.752 4.587) 6.687 19.276 ( 2.262 8.347 12.235) 14.982 19.943 ( -3.819 -1.428 1.609) 4.383 20.368 ( -0.549 -1.400 -6.420) 6.594 20.941 ( 1.124 0.675 -0.975) 1.633 ======================= Grid point 156 (72/90) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -11.177 -10.434 14.854) 21.317 1.757 ( -12.180 -20.100 4.870) 24.002 2.643 ( 3.160 8.755 -3.707) 10.018 2.747 ( 0.773 -1.123 -7.777) 7.896 2.970 ( -3.406 4.225 5.451) 7.691 3.073 ( -1.792 -6.203 0.313) 6.464 3.165 ( -4.367 7.858 -5.242) 10.407 3.394 ( 0.595 1.515 -3.739) 4.078 3.668 ( -5.222 -6.121 -8.689) 11.842 3.856 ( -17.825 -10.935 11.652) 23.939 3.997 ( 0.699 6.030 1.445) 6.240 4.130 ( 6.241 2.694 0.646) 6.829 4.350 ( 1.373 -5.002 -2.210) 5.639 4.706 ( 18.669 1.164 3.149) 18.969 4.836 ( -2.050 4.710 1.574) 5.372 5.207 ( 9.174 6.474 -6.748) 13.100 5.544 ( -5.569 -0.399 -2.675) 6.191 5.587 ( 1.209 -0.432 3.395) 3.629 5.929 ( 3.314 3.025 -0.485) 4.513 6.198 ( 4.875 -1.646 1.714) 5.423 6.358 ( 1.794 -1.529 -0.678) 2.452 6.742 ( 12.190 -0.342 -1.020) 12.237 6.969 ( -7.784 6.655 -2.472) 10.535 7.432 ( 0.310 1.308 -3.508) 3.757 8.177 ( -4.272 2.297 4.962) 6.939 8.498 ( -5.808 -2.764 -3.198) 7.183 8.893 ( -1.522 -11.490 8.308) 14.261 9.431 ( 5.577 -0.200 -1.488) 5.776 9.736 ( 0.244 2.011 -0.537) 2.096 9.941 ( -4.603 -1.063 -1.812) 5.060 10.019 ( -1.556 8.109 -6.018) 10.217 10.371 ( 3.083 -6.282 4.689) 8.423 10.645 ( -1.281 2.490 0.251) 2.811 11.105 ( 8.338 3.719 5.426) 10.621 11.507 ( 14.008 9.967 -5.218) 17.967 11.805 ( -4.211 0.021 1.862) 4.604 12.271 ( 16.605 -9.671 3.638) 19.558 12.545 ( 2.553 5.423 -12.202) 13.594 12.634 ( -6.863 7.315 -2.650) 10.375 13.348 ( -8.530 -1.705 0.264) 8.703 13.786 ( -10.077 7.651 5.600) 13.836 13.914 ( 1.501 -13.803 -2.235) 14.063 14.398 ( 5.419 -3.048 4.348) 7.587 14.723 ( 6.564 2.131 1.140) 6.995 15.188 ( 9.409 8.748 -10.571) 16.638 16.320 ( -4.506 -1.897 5.833) 7.611 16.747 ( -0.086 -8.017 1.980) 8.258 16.940 ( -2.000 8.827 -5.978) 10.846 17.391 ( 3.712 -3.284 -8.437) 9.784 17.507 ( 11.079 11.153 -0.631) 15.733 18.132 ( -12.971 -3.897 7.845) 15.652 18.761 ( -1.488 -4.903 -4.977) 7.144 19.009 ( -1.739 -8.911 9.820) 13.374 19.483 ( 1.415 5.971 3.806) 7.220 19.941 ( -7.512 7.960 5.430) 12.218 20.222 ( 0.684 -8.018 -8.083) 11.406 20.947 ( 0.957 0.523 -0.828) 1.370 ======================= Grid point 161 (73/90) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 1.314 -2.269 -9.311) 9.673 2.400 ( -3.356 -6.858 -4.826) 9.032 2.593 ( 2.449 7.388 -2.849) 8.288 2.847 ( -3.499 -1.922 5.930) 7.148 2.940 ( 5.512 1.367 5.970) 8.240 2.991 ( -2.551 -1.069 7.383) 7.884 3.205 ( -0.568 -4.361 3.139) 5.403 3.401 ( 0.165 3.347 5.939) 6.819 3.702 ( -0.229 -5.961 2.441) 6.445 3.893 ( 3.272 2.085 -5.465) 6.702 4.005 ( -6.572 3.975 -1.152) 7.766 4.167 ( 4.674 1.070 -13.533) 14.358 4.488 ( 1.043 -3.921 -6.039) 7.275 4.539 ( -0.013 -1.706 -2.848) 3.320 5.094 ( -6.800 -9.363 -1.232) 11.637 5.155 ( 2.638 0.164 1.075) 2.853 5.385 ( 3.832 10.241 -1.857) 11.091 5.596 ( 1.628 0.523 14.020) 14.124 5.621 ( -1.772 4.694 5.481) 7.431 5.967 ( 1.712 0.287 -10.848) 10.986 6.062 ( -2.535 8.667 -10.768) 14.054 6.886 ( -2.107 -9.247 -1.885) 9.670 7.224 ( 2.470 -1.070 0.855) 2.825 7.328 ( -0.742 2.770 -0.419) 2.898 8.575 ( -3.261 -6.329 -6.930) 9.936 8.644 ( 5.999 -6.283 -4.014) 9.570 8.920 ( -2.965 11.534 -4.160) 12.614 9.630 ( -0.398 -3.270 5.733) 6.612 9.746 ( 0.507 1.611 5.845) 6.084 10.094 ( -4.060 -5.093 -8.161) 10.442 10.172 ( 3.929 -0.393 -2.975) 4.944 10.313 ( -0.603 4.433 -7.026) 8.330 10.762 ( -0.738 -11.152 -2.833) 11.530 10.894 ( 8.035 1.155 -6.430) 10.355 11.056 ( -3.540 7.663 -10.114) 13.174 11.425 ( -3.492 9.994 11.282) 15.471 12.085 ( 2.574 1.986 3.885) 5.066 12.111 ( -2.128 0.747 5.424) 5.874 13.457 ( -0.540 -12.588 -8.169) 15.016 13.590 ( 4.675 -12.318 4.739) 14.002 13.927 ( -6.866 11.157 2.534) 13.344 14.120 ( -1.247 -17.463 -3.380) 17.831 14.293 ( 5.886 5.591 -1.465) 8.249 14.602 ( -9.594 6.445 -9.414) 14.906 14.644 ( 8.029 12.296 -3.790) 15.167 16.565 ( 1.060 -5.873 -0.297) 5.976 16.707 ( -4.617 -0.730 5.130) 6.940 16.936 ( 4.104 2.155 4.418) 6.404 17.310 ( -1.522 1.607 -12.853) 13.042 17.421 ( 1.073 6.434 -13.760) 15.228 18.483 ( 0.323 -5.723 5.212) 7.747 18.745 ( -4.054 -4.812 13.946) 15.300 18.899 ( 4.503 5.980 13.492) 15.429 19.071 ( -0.618 1.638 -2.743) 3.254 20.097 ( -0.659 -10.577 -0.835) 10.630 20.375 ( 0.304 8.371 -0.802) 8.415 20.923 ( 0.016 0.347 -1.314) 1.360 ======================= Grid point 162 (74/90) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -2.656 -3.107 -2.984) 5.061 2.216 ( -4.812 -8.272 -4.888) 10.746 2.610 ( 0.872 9.012 -6.355) 11.062 2.852 ( -1.265 0.923 -0.691) 1.712 3.018 ( -2.597 -10.687 6.814) 12.938 3.120 ( 4.403 0.904 4.676) 6.486 3.200 ( -0.655 -1.250 5.460) 5.640 3.464 ( -9.426 3.064 5.609) 11.388 3.709 ( 5.782 -4.065 -1.239) 7.176 3.832 ( 0.253 0.940 -6.425) 6.498 3.939 ( 0.163 0.634 -0.217) 0.690 4.138 ( 5.620 8.072 -7.758) 12.527 4.348 ( 0.054 -5.348 -8.055) 9.669 4.503 ( -0.789 -0.790 -0.928) 1.452 5.016 ( 1.015 -5.146 1.877) 5.571 5.093 ( -7.765 0.279 -3.679) 8.597 5.486 ( 0.457 8.942 1.084) 9.019 5.677 ( 5.271 -0.943 4.423) 6.946 5.822 ( -0.106 2.539 4.670) 5.316 5.925 ( 2.672 4.810 -7.271) 9.119 6.015 ( 5.227 10.634 -2.210) 12.053 6.718 ( -3.701 -12.506 -2.753) 13.329 7.213 ( -4.751 1.831 0.596) 5.127 7.371 ( 5.699 0.111 -2.006) 6.043 8.390 ( -8.074 -2.371 -1.169) 8.495 8.677 ( 11.086 -6.586 -2.858) 13.208 8.859 ( -6.657 8.833 -6.908) 13.041 9.543 ( -6.655 -5.683 -2.490) 9.098 9.864 ( 1.324 5.492 -5.865) 8.143 9.946 ( 3.830 -6.210 3.145) 7.945 10.123 ( -2.394 2.576 -6.800) 7.655 10.269 ( -1.573 0.935 0.953) 2.063 10.696 ( 4.037 -4.006 -2.430) 6.185 10.902 ( 1.638 3.895 -5.156) 6.666 11.035 ( 5.257 9.492 -4.106) 11.601 11.618 ( 0.928 1.388 13.365) 13.469 12.070 ( -6.770 -0.725 3.282) 7.558 12.292 ( 10.239 5.340 1.891) 11.702 13.158 ( -9.331 -9.486 -9.068) 16.102 13.680 ( 11.917 -14.919 1.986) 19.197 13.833 ( -10.012 -2.972 -0.579) 10.459 13.986 ( -6.193 1.837 2.767) 7.028 14.376 ( -2.471 -3.655 -3.955) 5.925 14.487 ( 4.239 13.196 -3.627) 14.327 14.797 ( 9.681 10.376 -4.529) 14.896 16.485 ( -3.448 -4.038 -1.357) 5.481 16.712 ( -1.481 -7.388 6.204) 9.761 17.055 ( 7.135 7.188 -6.525) 12.048 17.151 ( -4.338 6.134 -4.401) 8.707 17.359 ( 5.615 5.168 -10.542) 13.014 18.482 ( -6.032 -6.098 7.395) 11.325 18.837 ( -1.336 -6.955 9.122) 11.548 19.020 ( -0.372 -1.925 0.936) 2.173 19.214 ( 2.466 8.293 12.831) 15.476 19.987 ( -0.399 -10.055 -0.762) 10.092 20.395 ( -0.976 6.539 -4.918) 8.240 20.914 ( 0.700 0.728 -1.175) 1.550 ======================= Grid point 163 (75/90) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -7.215 -4.843 5.525) 10.297 2.034 ( -8.759 -8.458 2.048) 12.347 2.584 ( 1.328 9.125 -9.898) 13.528 2.763 ( -1.058 -3.403 -7.505) 8.308 2.997 ( -1.817 -5.775 6.384) 8.798 3.188 ( -3.121 1.974 0.686) 3.756 3.288 ( 3.668 -4.014 3.392) 6.409 3.364 ( -8.865 3.066 -1.768) 9.545 3.650 ( 0.014 -2.583 -7.532) 7.962 3.875 ( 7.432 -2.381 0.584) 7.826 3.993 ( 0.868 6.578 1.686) 6.846 4.204 ( 5.341 0.175 -2.553) 5.922 4.268 ( 7.004 1.587 -0.132) 7.182 4.483 ( -4.198 -1.200 3.306) 5.476 4.931 ( -8.241 3.019 -1.777) 8.954 5.048 ( 2.308 -1.536 0.085) 2.773 5.551 ( -0.563 4.080 1.435) 4.362 5.731 ( -3.454 -1.630 0.719) 3.886 5.881 ( 2.977 0.885 1.565) 3.477 5.929 ( 7.344 5.066 -5.983) 10.742 6.209 ( 9.569 9.728 1.362) 13.713 6.570 ( -0.541 -8.139 -1.760) 8.345 7.166 ( -5.274 3.643 -0.830) 6.463 7.385 ( 3.256 -1.881 -3.603) 5.208 8.325 ( -6.718 2.779 5.756) 9.273 8.668 ( -6.697 -0.977 -8.220) 10.647 8.753 ( 9.946 -5.055 -2.967) 11.545 9.430 ( -4.346 -1.447 2.586) 5.260 9.758 ( -0.894 3.097 -7.525) 8.186 9.986 ( -1.854 3.234 -10.505) 11.147 10.091 ( 2.834 -0.591 7.494) 8.034 10.302 ( -1.251 -1.884 4.586) 5.113 10.670 ( 1.044 2.434 -4.324) 5.071 10.956 ( 3.712 3.893 3.307) 6.315 11.147 ( 10.293 9.821 -5.387) 15.213 11.842 ( 6.956 -3.548 11.284) 13.723 12.012 ( -5.001 -4.089 3.011) 7.127 12.444 ( 6.041 8.028 -4.292) 10.926 12.862 ( -8.226 -2.537 -9.046) 12.487 13.605 ( -4.960 -7.739 -1.661) 9.341 13.771 ( 1.639 -12.723 1.627) 12.931 14.011 ( -5.829 8.547 5.479) 11.708 14.266 ( 3.054 -5.468 -2.094) 6.604 14.627 ( 2.747 10.526 1.178) 10.942 14.912 ( 10.138 8.248 -7.865) 15.254 16.424 ( -3.209 -1.046 2.555) 4.233 16.727 ( 0.255 -8.742 5.867) 10.532 16.974 ( 0.929 5.990 -12.639) 14.018 17.261 ( 6.447 11.367 1.066) 13.111 17.311 ( 2.312 2.604 -8.417) 9.108 18.446 ( -9.576 -5.222 8.463) 13.805 18.811 ( -2.207 -6.296 -1.494) 6.837 19.049 ( -1.475 -6.227 8.778) 10.863 19.441 ( 1.857 4.927 7.046) 8.796 19.956 ( 3.130 -6.762 3.672) 8.307 20.305 ( -4.421 4.916 -8.809) 11.014 20.919 ( 1.070 0.935 -0.937) 1.702 ======================= Grid point 164 (76/90) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -9.094 -5.420 14.553) 17.997 1.961 ( -10.358 -5.611 14.961) 19.042 2.493 ( 3.405 7.346 -15.879) 17.824 2.664 ( 1.823 -0.955 -4.079) 4.569 3.007 ( 0.625 -4.871 -0.580) 4.946 3.097 ( -5.958 1.237 -3.994) 7.279 3.241 ( -3.062 -1.079 -3.590) 4.840 3.341 ( 0.844 -0.880 0.418) 1.289 3.548 ( -4.587 1.477 -1.429) 5.027 3.873 ( 7.038 -7.894 -4.302) 11.418 4.112 ( 3.252 8.853 0.155) 9.433 4.259 ( -0.661 -2.691 8.030) 8.495 4.393 ( -11.057 2.264 8.686) 14.242 4.531 ( 12.592 1.057 1.000) 12.676 4.879 ( -0.878 3.212 -2.712) 4.294 5.064 ( 3.575 0.260 -0.912) 3.698 5.557 ( -4.331 2.587 -5.408) 7.396 5.642 ( -2.290 -3.964 2.725) 5.327 5.955 ( 0.703 3.975 3.210) 5.157 6.014 ( 11.853 -2.346 -3.034) 12.458 6.356 ( 1.000 1.325 0.361) 1.699 6.609 ( 10.907 8.510 -0.011) 13.834 7.102 ( -6.985 3.942 -0.468) 8.035 7.342 ( 2.452 -3.206 -4.877) 6.330 8.336 ( -7.429 1.329 0.644) 7.575 8.518 ( -2.088 0.918 3.229) 3.953 8.819 ( 8.232 -5.562 -0.220) 9.937 9.468 ( -1.428 2.314 7.271) 7.763 9.716 ( 1.030 2.819 -3.101) 4.315 9.863 ( 0.721 4.338 -8.200) 9.305 10.170 ( -8.024 1.586 4.058) 9.130 10.273 ( 4.161 -7.627 -2.471) 9.033 10.707 ( 0.296 4.572 3.434) 5.726 11.115 ( 6.971 4.230 5.201) 9.672 11.307 ( 13.802 10.572 -6.594) 18.594 11.900 ( -7.461 -0.203 -0.142) 7.465 12.089 ( 11.962 -10.114 8.775) 17.955 12.421 ( -2.000 1.464 -8.606) 8.956 12.698 ( -3.103 9.322 -6.832) 11.967 13.439 ( -11.370 -2.210 -3.443) 12.084 13.684 ( 6.700 -19.674 0.700) 20.795 14.077 ( -7.032 8.507 5.860) 12.497 14.352 ( 7.655 0.962 4.989) 9.188 14.708 ( 0.179 2.673 -0.933) 2.837 15.012 ( 10.675 10.998 -6.400) 16.609 16.454 ( -2.562 -0.740 7.372) 7.839 16.727 ( -1.830 -7.318 2.972) 8.107 16.858 ( 1.897 4.776 -13.091) 14.064 17.265 ( 2.328 2.779 -3.005) 4.709 17.468 ( 9.381 10.919 0.995) 14.430 18.381 ( -11.442 -4.316 7.170) 14.176 18.685 ( -2.781 -6.332 -3.673) 7.830 19.093 ( -2.646 -8.129 8.526) 12.074 19.518 ( 0.071 2.640 -1.675) 3.127 19.992 ( 3.294 -11.143 -3.270) 12.071 20.188 ( -4.965 9.451 0.774) 10.704 20.929 ( 1.013 0.853 -0.527) 1.425 ======================= Grid point 169 (77/90) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 4.013 -4.582 -0.892) 6.156 2.361 ( -5.355 -1.763 -6.032) 8.256 2.497 ( 7.617 3.878 -4.629) 9.720 2.857 ( 0.830 0.880 -2.234) 2.541 3.035 ( 2.389 -10.022 4.839) 11.382 3.069 ( -1.308 -0.891 7.114) 7.288 3.283 ( -3.400 3.062 3.685) 5.875 3.384 ( 8.360 -1.593 2.440) 8.853 3.764 ( -1.398 -0.987 3.843) 4.207 3.836 ( -1.744 1.027 -6.019) 6.350 3.903 ( 0.303 -2.400 -7.033) 7.438 4.125 ( -6.103 9.042 -3.995) 11.618 4.379 ( -0.330 -2.581 -2.204) 3.410 4.506 ( -0.104 -0.493 -1.419) 1.506 4.953 ( 3.378 -8.659 -5.977) 11.051 5.215 ( 6.644 2.412 1.886) 7.315 5.351 ( -3.467 4.676 -0.920) 5.893 5.698 ( -2.389 0.486 3.862) 4.567 5.824 ( 1.889 2.807 -4.162) 5.364 5.886 ( -4.757 5.061 7.701) 10.371 6.093 ( -7.145 12.222 -5.820) 15.307 6.795 ( -0.741 -8.106 -4.157) 9.140 7.133 ( 7.883 -1.425 -0.231) 8.014 7.374 ( -4.379 -0.886 -1.346) 4.666 8.375 ( 9.079 -3.694 -3.416) 10.380 8.597 ( -5.190 -6.286 -1.797) 8.347 8.980 ( -1.561 12.338 -4.580) 13.253 9.633 ( 7.267 -0.001 2.731) 7.764 9.749 ( -2.995 -3.070 -6.191) 7.531 9.955 ( -1.472 -4.852 -10.788) 11.921 10.121 ( 2.557 2.088 0.889) 3.419 10.307 ( 0.018 3.343 1.521) 3.672 10.631 ( -1.020 -7.965 -3.162) 8.630 10.818 ( -1.073 2.216 -1.234) 2.754 11.072 ( -4.845 7.175 -4.402) 9.712 11.755 ( -6.913 13.184 12.543) 19.466 12.047 ( 6.860 -1.979 3.069) 7.771 12.267 ( -8.333 2.246 0.369) 8.638 13.127 ( 11.229 -13.379 -9.679) 19.969 13.551 ( -2.046 -11.168 1.947) 11.520 13.897 ( 4.533 -11.724 -3.356) 13.010 14.175 ( 4.106 13.018 7.737) 15.691 14.256 ( -6.590 0.399 -2.706) 7.135 14.533 ( 2.618 6.109 -6.192) 9.084 14.763 ( -10.765 9.518 -4.582) 15.082 16.468 ( 3.843 -5.023 -0.869) 6.384 16.855 ( -7.423 -5.588 5.587) 10.842 16.933 ( 3.694 6.756 0.134) 7.701 17.131 ( 2.547 4.057 -12.142) 13.053 17.362 ( -5.479 5.757 -9.650) 12.501 18.472 ( 6.250 -6.676 6.767) 11.377 18.921 ( -1.428 -6.276 2.447) 6.886 19.006 ( -0.680 2.500 12.089) 12.363 19.159 ( 0.903 4.186 9.820) 10.713 19.987 ( 0.498 -10.116 -2.702) 10.482 20.400 ( 0.695 6.877 -3.987) 7.980 20.914 ( -0.684 0.699 -1.156) 1.514 ======================= Grid point 170 (78/90) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.547 -3.811 5.989) 7.120 2.218 ( -5.336 -0.506 -2.445) 5.891 2.534 ( 3.657 6.659 -7.822) 10.904 2.767 ( 0.312 -3.492 -9.031) 9.688 3.034 ( 0.481 -10.224 4.682) 11.255 3.161 ( 3.150 -3.292 5.859) 7.423 3.295 ( -3.671 0.687 3.498) 5.117 3.545 ( 4.958 -4.266 3.407) 7.375 3.638 ( 1.290 -4.442 -10.892) 11.834 3.762 ( -3.651 -0.553 0.726) 3.763 3.921 ( 2.368 3.755 3.485) 5.643 4.110 ( -1.068 9.615 -3.277) 10.214 4.230 ( -5.978 3.362 -5.976) 9.097 4.504 ( 0.215 3.010 -0.762) 3.112 4.956 ( 6.248 -5.520 1.321) 8.441 5.208 ( -8.815 0.900 -0.205) 8.864 5.427 ( 9.157 4.804 -3.019) 10.772 5.733 ( -2.337 -2.753 5.591) 6.656 5.805 ( 2.834 7.767 -3.191) 8.862 5.976 ( -3.760 6.730 1.335) 7.823 6.068 ( -1.685 11.911 -1.192) 12.089 6.625 ( -2.417 -12.268 -3.101) 12.883 7.239 ( 7.825 -0.350 -1.057) 7.904 7.281 ( -4.116 -1.406 -1.685) 4.665 8.443 ( 8.561 -1.912 -0.422) 8.782 8.504 ( -3.855 -1.509 1.711) 4.479 8.884 ( -7.600 6.511 -11.018) 14.885 9.574 ( -5.925 -1.684 -1.284) 6.292 9.747 ( 2.018 3.707 -9.635) 10.519 9.848 ( 9.034 -3.169 0.557) 9.589 10.126 ( -2.795 0.717 -0.826) 3.002 10.369 ( -2.051 -0.654 5.029) 5.470 10.568 ( 2.807 -0.035 -1.127) 3.025 10.853 ( 3.445 4.891 -0.461) 6.000 11.043 ( -1.445 10.395 -3.976) 11.223 11.857 ( -8.013 0.669 10.971) 13.602 12.167 ( -3.305 -1.697 -1.146) 3.888 12.241 ( 6.949 6.000 4.390) 10.177 12.954 ( 3.292 -12.896 -12.518) 18.271 13.516 ( 1.777 -11.413 2.900) 11.909 13.852 ( 2.597 -7.101 2.546) 7.978 14.164 ( -7.670 7.566 1.766) 10.918 14.337 ( -5.719 -1.516 -6.581) 8.849 14.472 ( 5.832 9.712 0.251) 11.331 14.762 ( 1.066 10.263 -2.991) 10.743 16.464 ( 0.587 -2.491 1.084) 2.780 16.783 ( -3.671 -8.435 4.499) 10.241 16.917 ( -0.034 8.222 -11.920) 14.481 17.143 ( 4.736 4.770 -1.685) 6.930 17.281 ( -0.645 8.898 -5.224) 10.338 18.566 ( 1.256 -7.476 7.367) 10.571 18.867 ( -1.586 -6.787 -0.579) 6.994 19.120 ( -4.392 -1.560 10.715) 11.685 19.373 ( 3.507 3.499 8.405) 9.756 19.882 ( 1.724 -9.536 -0.529) 9.705 20.380 ( -0.899 6.581 -7.144) 9.755 20.902 ( 0.012 1.086 -0.878) 1.397 ======================= Grid point 172 (79/90) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -3.672 -0.580 11.786) 12.358 2.160 ( -3.740 0.045 3.750) 5.296 2.451 ( 0.485 3.983 -14.211) 14.767 2.616 ( 1.194 -4.763 -7.151) 8.675 3.047 ( -0.926 -6.746 4.489) 8.155 3.231 ( 4.065 -5.955 -0.722) 7.246 3.249 ( -4.385 0.451 -2.230) 4.941 3.364 ( -7.785 -7.299 -2.959) 11.074 3.642 ( 7.967 -6.408 -5.840) 11.774 3.723 ( -2.750 0.584 2.378) 3.683 4.085 ( 1.926 5.648 10.398) 11.988 4.146 ( 2.863 9.528 -4.394) 10.876 4.253 ( 2.654 10.761 3.202) 11.537 4.528 ( 0.095 3.965 -0.606) 4.012 4.960 ( -0.071 -3.802 -5.822) 6.954 5.118 ( -5.003 -0.487 5.023) 7.106 5.501 ( 6.737 0.627 -3.523) 7.628 5.738 ( -2.309 -6.229 2.730) 7.182 5.833 ( -1.186 5.577 -3.210) 6.543 6.010 ( -3.102 6.549 3.794) 8.180 6.191 ( 7.486 15.160 -0.642) 16.920 6.506 ( -0.678 -6.746 -0.336) 6.788 7.186 ( 0.127 -2.000 -4.749) 5.154 7.300 ( 0.895 -0.476 0.329) 1.066 8.505 ( 2.486 -1.874 -1.144) 3.317 8.569 ( 2.718 2.836 4.498) 5.972 8.633 ( -7.513 0.659 -6.784) 10.144 9.542 ( -2.850 2.154 3.730) 5.164 9.682 ( 1.790 2.548 -4.706) 5.643 9.862 ( 1.498 0.871 -10.262) 10.407 10.143 ( 0.592 1.064 5.211) 5.351 10.353 ( -1.784 -8.362 1.549) 8.690 10.655 ( 2.711 9.516 1.364) 9.988 10.963 ( 5.141 5.414 2.123) 7.762 11.074 ( 2.476 12.213 -4.784) 13.348 11.920 ( -0.451 -7.226 10.623) 12.856 12.075 ( -5.005 -1.690 -1.256) 5.430 12.415 ( 2.633 5.717 1.846) 6.560 12.739 ( 1.552 -4.097 -11.415) 12.227 13.481 ( 2.968 -13.884 2.634) 14.440 13.828 ( -10.361 -1.836 -1.580) 10.641 14.163 ( 2.631 -4.410 -2.328) 5.638 14.226 ( -2.633 8.893 6.938) 11.583 14.663 ( 7.123 8.694 2.208) 11.454 14.780 ( 1.858 7.809 -7.085) 10.706 16.498 ( -0.938 0.895 5.115) 5.277 16.762 ( 1.013 -5.236 1.552) 5.555 16.798 ( -0.643 1.439 -8.612) 8.755 17.243 ( 4.861 7.305 -1.535) 8.907 17.280 ( 0.244 9.546 -3.757) 10.261 18.588 ( -3.281 -7.488 5.095) 9.633 18.758 ( -2.445 -7.526 -2.322) 8.247 19.184 ( -4.831 -3.958 10.327) 12.068 19.471 ( 3.061 -2.564 -0.096) 3.994 19.914 ( 3.004 -3.979 4.732) 6.874 20.283 ( -2.451 5.453 -8.226) 10.169 20.906 ( 0.565 1.324 -0.441) 1.505 ======================= Grid point 173 (80/90) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -5.752 4.292 15.388) 16.980 2.215 ( 2.606 3.789 -3.695) 5.899 2.282 ( -1.344 -0.853 -2.432) 2.907 2.551 ( 3.531 -5.479 -1.606) 6.713 2.943 ( -5.247 -4.410 -5.825) 8.995 3.085 ( -4.096 -3.985 -7.793) 9.664 3.178 ( -2.206 -5.548 1.641) 6.192 3.319 ( 2.332 -4.430 1.441) 5.210 3.663 ( 7.724 -7.682 0.835) 10.926 3.731 ( -5.504 8.515 2.791) 10.516 4.188 ( -1.831 10.848 -0.170) 11.003 4.293 ( 4.514 1.721 5.751) 7.510 4.440 ( 5.948 6.373 1.610) 8.865 4.524 ( 0.384 -0.405 -2.572) 2.632 4.804 ( -0.397 -3.284 -6.942) 7.690 5.181 ( -1.909 1.962 7.388) 7.879 5.517 ( -1.665 1.146 -3.942) 4.430 5.633 ( -0.666 -8.344 -0.572) 8.390 5.867 ( 4.067 1.600 1.433) 4.600 6.082 ( -2.655 6.822 3.533) 8.128 6.345 ( 1.148 2.714 -1.348) 3.240 6.574 ( 9.271 12.973 2.687) 16.169 7.119 ( 2.846 -2.155 -5.206) 6.313 7.274 ( -4.026 -1.725 0.396) 4.398 8.341 ( -4.704 -2.817 -7.946) 9.654 8.583 ( 4.509 -1.764 0.038) 4.842 8.806 ( 1.062 6.507 13.424) 14.956 9.602 ( -0.418 2.224 4.598) 5.124 9.691 ( -0.630 3.848 -2.812) 4.807 9.751 ( 5.162 1.934 -6.131) 8.245 10.118 ( -2.240 -9.731 -6.223) 11.766 10.327 ( -3.018 1.508 5.668) 6.596 10.768 ( 2.380 6.368 -0.724) 6.837 11.133 ( 5.866 7.137 5.098) 10.552 11.163 ( 7.323 12.128 -5.212) 15.095 11.951 ( -3.026 -7.835 -0.573) 8.419 12.060 ( 2.951 -2.222 9.380) 10.081 12.396 ( -6.207 -4.324 -0.754) 7.602 12.674 ( 3.313 13.760 -9.212) 16.887 13.477 ( 6.072 -12.245 2.689) 13.930 13.543 ( -15.890 -6.400 -4.799) 17.789 14.175 ( 1.160 -4.071 0.987) 4.346 14.438 ( 4.145 10.630 9.226) 14.673 14.717 ( -3.167 5.396 -3.827) 7.334 14.894 ( 11.969 9.828 -0.535) 15.496 16.569 ( -2.130 -0.828 6.335) 6.735 16.648 ( 1.937 -0.643 -12.474) 12.640 16.796 ( -2.353 -4.041 6.871) 8.312 17.266 ( 0.186 9.630 -2.034) 9.845 17.422 ( 9.544 8.581 -0.512) 12.845 18.465 ( -4.773 -10.234 -4.250) 12.066 18.689 ( -3.559 -4.020 4.466) 6.984 19.213 ( -5.623 -5.224 8.373) 11.359 19.465 ( 3.423 -2.018 -3.715) 5.440 19.842 ( -5.427 -6.562 -8.268) 11.869 20.293 ( 2.990 5.088 3.545) 6.884 20.922 ( 0.692 1.225 0.020) 1.407 ======================= Grid point 179 (81/90) ======================= q-point: ( 0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 6.736 -1.627 10.892) 12.910 2.263 ( 9.948 4.762 -4.938) 12.084 2.426 ( -3.463 -1.336 -3.035) 4.795 2.777 ( 0.408 -0.953 -10.670) 10.720 2.971 ( 3.762 -9.555 7.770) 12.877 3.064 ( -0.480 -7.004 -3.273) 7.746 3.286 ( 9.646 0.397 -0.420) 9.663 3.362 ( -0.901 0.130 0.130) 0.919 3.719 ( -6.357 -7.450 -2.929) 10.222 3.782 ( -0.013 5.836 -5.760) 8.200 4.018 ( -3.981 6.627 5.170) 9.301 4.280 ( -8.764 11.396 0.200) 14.377 4.371 ( 2.179 -3.642 4.418) 6.126 4.479 ( 1.321 0.314 -1.805) 2.259 4.775 ( 1.208 -6.230 -2.948) 6.998 5.159 ( 6.430 4.513 1.061) 7.927 5.473 ( -7.975 1.549 1.383) 8.241 5.666 ( 5.120 -2.123 -0.588) 5.574 5.830 ( -2.187 2.598 -1.028) 3.548 6.087 ( -5.635 6.831 3.011) 9.354 6.243 ( -8.648 10.044 -1.530) 13.342 6.675 ( -0.856 -2.463 -7.965) 8.381 7.021 ( 6.551 -3.542 1.377) 7.574 7.379 ( -2.898 -2.857 -2.278) 4.664 8.246 ( 5.075 -2.582 2.132) 6.080 8.578 ( -0.041 -3.364 -1.475) 3.673 9.021 ( -1.533 10.171 -5.266) 11.555 9.528 ( 9.660 2.756 0.719) 10.071 9.690 ( -1.943 -1.382 -3.849) 4.527 9.833 ( -5.572 -2.633 -9.866) 11.632 10.075 ( 4.775 -5.253 3.043) 7.724 10.411 ( -0.816 4.333 4.536) 6.326 10.586 ( -2.314 -0.806 -0.460) 2.494 10.919 ( -6.802 3.826 3.534) 8.567 11.155 ( -8.635 8.006 -4.838) 12.730 11.961 ( 8.664 -2.124 3.900) 9.735 12.152 ( -10.780 13.707 10.579) 20.396 12.323 ( -5.396 -0.285 -7.482) 9.229 12.755 ( 8.646 -12.782 -8.966) 17.847 13.513 ( 3.043 -7.100 2.405) 8.091 13.722 ( 2.027 -13.325 -0.285) 13.481 14.183 ( 6.856 6.703 -0.978) 9.638 14.430 ( -1.613 -0.062 6.018) 6.230 14.515 ( -6.417 13.561 -3.745) 15.463 14.885 ( -10.091 6.429 -7.107) 13.916 16.409 ( 2.959 -2.072 3.645) 5.132 16.825 ( -1.430 -7.033 -6.067) 9.397 16.968 ( 7.843 5.244 0.079) 9.435 17.120 ( -12.817 5.447 -1.051) 13.966 17.341 ( -3.221 6.058 -7.805) 10.392 18.410 ( 9.462 -7.824 7.490) 14.382 18.861 ( 2.213 -2.874 -2.716) 4.531 19.199 ( 3.951 3.206 11.278) 12.373 19.320 ( -4.346 -1.496 8.466) 9.634 19.878 ( -1.318 -11.840 -1.119) 11.966 20.351 ( 3.027 6.694 -6.274) 9.661 20.918 ( -1.089 0.948 -0.910) 1.707 ======================= Grid point 180 (82/90) ======================= q-point: ( 0.50 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -1.842 2.194 13.706) 14.002 2.188 ( -0.997 -1.756 -8.795) 9.024 2.417 ( 2.881 2.427 -8.019) 8.860 2.630 ( -0.316 -1.566 -6.335) 6.533 2.980 ( 3.290 -9.168 2.901) 10.164 3.096 ( 6.239 -9.003 4.292) 11.764 3.316 ( 0.545 -3.966 -4.233) 5.826 3.410 ( 9.465 -2.094 -0.618) 9.713 3.602 ( -7.834 -3.010 3.714) 9.177 3.746 ( 0.039 3.580 -4.289) 5.587 4.038 ( -5.374 6.223 0.134) 8.223 4.256 ( -6.752 9.113 2.530) 11.621 4.318 ( -4.753 8.252 -1.494) 9.639 4.511 ( 1.759 3.574 -0.707) 4.045 4.829 ( 7.505 -6.140 3.053) 10.166 5.242 ( -1.037 -0.198 -3.917) 4.057 5.415 ( -2.699 2.406 2.737) 4.535 5.733 ( 4.458 -3.335 1.334) 5.725 5.833 ( 0.393 8.685 -0.759) 8.727 6.063 ( -3.920 0.014 -1.475) 4.189 6.212 ( -6.427 13.785 -0.936) 15.238 6.531 ( -1.136 -4.590 -2.734) 5.463 7.130 ( 5.439 -0.493 0.449) 5.479 7.292 ( -1.881 -2.919 -0.529) 3.513 8.331 ( 5.081 -3.064 2.731) 6.531 8.580 ( 0.431 2.228 2.148) 3.125 8.869 ( -7.765 4.801 -12.393) 15.393 9.601 ( -1.746 -0.407 0.666) 1.912 9.673 ( -1.494 0.984 -6.228) 6.480 9.724 ( 6.738 4.166 -0.084) 7.922 10.152 ( 3.492 -2.823 5.228) 6.892 10.367 ( -2.808 -7.222 -1.568) 7.906 10.642 ( -1.665 9.493 2.440) 9.942 10.930 ( -4.625 8.693 3.738) 10.533 11.091 ( -2.222 9.475 -3.941) 10.500 12.005 ( -0.971 -7.166 1.369) 7.359 12.200 ( -3.942 2.534 -2.108) 5.138 12.309 ( 0.984 9.492 6.810) 11.723 12.627 ( 5.249 -13.625 -7.196) 16.278 13.499 ( -3.009 -9.382 3.438) 10.435 13.732 ( 11.618 -6.504 1.425) 13.391 14.242 ( 1.850 -1.308 -0.309) 2.286 14.375 ( -11.599 9.597 -9.763) 17.943 14.543 ( -0.623 5.853 7.275) 9.358 14.803 ( -2.419 10.039 -3.912) 11.043 16.504 ( 0.633 1.057 7.192) 7.296 16.696 ( 1.613 -2.472 -7.595) 8.149 16.912 ( -4.109 -4.169 -3.711) 6.931 17.130 ( 0.194 7.619 0.599) 7.645 17.317 ( -1.454 10.992 -2.410) 11.347 18.547 ( 5.821 -8.742 6.127) 12.159 18.797 ( -0.243 -6.048 -3.566) 7.025 19.326 ( -4.450 -0.742 6.556) 7.959 19.383 ( 3.142 -3.274 1.976) 4.950 19.829 ( 2.778 -6.786 6.306) 9.671 20.321 ( -0.335 5.705 -8.266) 10.049 20.906 ( -0.575 1.334 -0.441) 1.518 ======================= Grid point 181 (83/90) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 4.645 -2.797 -9.565) 10.995 2.167 ( -0.697 2.422 13.145) 13.384 2.250 ( 0.445 -4.231 -14.226) 14.849 2.587 ( -3.453 0.305 3.300) 4.786 3.037 ( 2.302 -5.201 2.993) 6.427 3.089 ( 1.575 -8.739 0.420) 8.890 3.280 ( 0.385 -3.980 -2.259) 4.592 3.352 ( -7.795 -4.416 -6.091) 10.834 3.511 ( 1.473 -2.451 4.484) 5.319 3.815 ( -1.459 4.015 4.885) 6.489 4.074 ( 5.611 7.451 -2.112) 9.563 4.307 ( -0.930 4.661 2.018) 5.163 4.391 ( -1.714 16.069 4.693) 16.827 4.528 ( 0.505 -0.218 -4.565) 4.598 4.841 ( -1.406 -4.194 -2.834) 5.254 5.120 ( 1.244 -3.679 -3.348) 5.128 5.467 ( 0.443 0.286 3.938) 3.973 5.722 ( -0.732 -4.665 -1.811) 5.058 5.876 ( -4.019 6.041 -2.514) 7.679 6.069 ( 6.724 4.986 1.316) 8.473 6.277 ( -0.523 14.138 1.348) 14.212 6.508 ( -1.309 0.290 3.006) 3.292 7.089 ( -2.044 -3.739 -4.137) 5.939 7.320 ( 1.402 -0.129 3.265) 3.556 8.373 ( 2.191 -4.842 -1.874) 5.635 8.560 ( -3.272 0.107 -6.477) 7.258 8.789 ( 1.141 7.968 7.033) 10.689 9.589 ( 1.525 -2.072 -6.056) 6.580 9.629 ( 0.196 2.282 3.225) 3.956 9.758 ( -1.272 4.220 -3.273) 5.489 10.203 ( -4.814 -2.876 -2.745) 6.244 10.311 ( 5.002 -5.744 6.596) 10.076 10.696 ( 0.874 8.044 -3.446) 8.795 11.054 ( -0.314 12.311 6.033) 13.714 11.106 ( -0.908 11.304 -2.785) 11.677 11.941 ( -0.386 -9.765 1.021) 9.826 12.164 ( -5.575 2.839 3.325) 7.085 12.454 ( 9.702 8.287 -7.571) 14.837 12.532 ( -2.602 -8.886 5.038) 10.541 13.430 ( -2.020 -11.554 3.886) 12.356 13.885 ( 4.627 -0.262 1.440) 4.853 14.062 ( -5.550 -4.958 -7.259) 10.396 14.364 ( 2.550 8.236 1.949) 8.839 14.667 ( 2.617 4.715 1.674) 5.646 14.808 ( -3.371 11.582 -0.636) 12.079 16.592 ( 1.698 -0.590 -9.024) 9.201 16.633 ( -2.109 3.421 8.335) 9.253 16.824 ( -0.143 -6.828 2.461) 7.260 17.215 ( 4.233 7.007 0.132) 8.188 17.339 ( -3.630 12.124 -2.914) 12.987 18.539 ( -0.743 -11.481 -3.916) 12.153 18.721 ( 0.862 -6.315 2.398) 6.810 19.310 ( 3.685 -4.379 -4.169) 7.081 19.396 ( -4.426 -3.314 6.484) 8.521 19.969 ( 0.563 -1.786 8.777) 8.975 20.208 ( -0.069 3.328 -9.374) 9.948 20.912 ( 0.008 1.514 0.122) 1.519 ======================= Grid point 182 (84/90) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 9.009 -5.435 -20.483) 23.027 2.115 ( 10.167 -11.507 -4.868) 16.108 2.392 ( -2.678 6.765 13.812) 15.611 2.624 ( -4.243 1.292 8.284) 9.397 2.960 ( -7.219 -2.978 1.325) 7.921 3.012 ( -6.456 -3.761 -6.821) 10.117 3.149 ( 3.106 -4.836 1.301) 5.893 3.335 ( -1.533 -1.577 3.241) 3.917 3.617 ( 3.088 -4.213 8.062) 9.606 3.847 ( -3.192 8.081 0.229) 8.691 4.180 ( 5.483 6.767 -3.565) 9.411 4.268 ( -0.306 -18.529 -11.888) 22.017 4.381 ( 2.309 -4.362 0.399) 4.951 4.592 ( -0.597 18.895 5.122) 19.586 4.781 ( -3.647 4.718 -0.147) 5.965 5.146 ( 6.178 0.208 -0.890) 6.245 5.549 ( 3.296 -4.908 3.512) 6.877 5.607 ( -5.062 3.318 -3.548) 7.016 5.877 ( 0.909 4.440 0.671) 4.581 6.199 ( 0.348 5.747 2.324) 6.209 6.345 ( -1.846 -0.201 -0.544) 1.935 6.653 ( 5.728 14.898 7.126) 17.480 6.969 ( 0.514 -5.249 -5.701) 7.767 7.351 ( -3.611 -0.317 2.962) 4.681 8.248 ( -1.733 -3.040 -7.025) 7.848 8.514 ( 1.484 -3.741 0.506) 4.057 9.017 ( 4.490 5.434 8.282) 10.876 9.505 ( 5.111 -3.011 -6.705) 8.952 9.712 ( -0.149 5.137 -1.300) 5.300 9.760 ( -1.280 3.615 8.200) 9.052 10.022 ( -5.206 -8.158 -5.431) 11.098 10.432 ( 1.030 1.036 5.010) 5.219 10.689 ( 3.145 2.518 -7.520) 8.531 11.117 ( 1.354 10.122 -5.079) 11.405 11.282 ( 0.865 15.292 7.541) 17.072 11.875 ( 0.848 -8.355 -1.466) 8.525 12.205 ( -3.848 1.432 9.694) 10.527 12.484 ( -6.805 -8.442 6.068) 12.426 12.566 ( 10.274 17.342 -9.151) 22.137 13.379 ( 0.210 -10.923 2.412) 11.188 13.669 ( -17.153 -3.459 -4.491) 18.065 14.093 ( 7.457 -6.176 1.084) 9.742 14.489 ( 5.056 3.761 -0.912) 6.367 14.746 ( 6.074 12.556 -3.924) 14.489 14.924 ( -0.916 8.706 9.540) 12.948 16.458 ( 0.896 -2.952 -9.548) 10.034 16.706 ( -6.050 -0.880 6.506) 8.927 16.868 ( 2.966 -3.653 5.720) 7.407 17.343 ( 0.654 10.299 0.760) 10.348 17.366 ( 3.853 10.236 -0.707) 10.960 18.320 ( -2.108 -13.402 -8.078) 15.790 18.751 ( 0.382 -4.182 4.981) 6.515 19.259 ( 5.042 -5.091 -6.670) 9.789 19.401 ( -4.020 -0.377 4.256) 5.867 19.837 ( -14.580 -3.945 -5.946) 16.233 20.285 ( 9.013 1.205 3.825) 9.865 20.930 ( 0.265 1.337 0.533) 1.463 ======================= Grid point 228 (85/90) ======================= q-point: ( 0.38 0.38 -0.62) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -0.000 0.000 -1.435) 1.435 2.415 ( 0.000 0.000 -6.703) 6.703 2.415 ( -0.000 0.000 -6.703) 6.703 2.861 ( -0.000 0.000 -2.227) 2.227 3.098 ( 0.000 -0.000 10.597) 10.597 3.098 ( 0.000 -0.000 10.597) 10.597 3.388 ( 0.000 -0.000 5.576) 5.576 3.388 ( -0.000 -0.000 5.576) 5.576 3.719 ( -0.000 0.000 -6.002) 6.002 3.891 ( 0.000 0.000 -2.542) 2.542 3.891 ( -0.000 0.000 -2.542) 2.542 3.989 ( -0.000 0.000 -8.666) 8.666 4.449 ( 0.000 0.000 -7.643) 7.643 4.449 ( -0.000 0.000 -7.643) 7.643 5.181 ( 0.000 0.000 -1.154) 1.154 5.181 ( -0.000 -0.000 -1.154) 1.154 5.217 ( -0.000 0.000 -1.841) 1.841 5.633 ( 0.000 -0.000 9.210) 9.210 5.824 ( -0.000 0.000 -10.138) 10.138 5.824 ( -0.000 0.000 -10.138) 10.138 5.856 ( 0.000 -0.000 13.969) 13.969 6.948 ( -0.000 0.000 -1.700) 1.700 7.256 ( 0.000 0.000 -1.062) 1.062 7.256 ( 0.000 0.000 -1.062) 1.062 8.604 ( 0.000 0.000 -3.793) 3.793 8.604 ( -0.000 0.000 -3.793) 3.793 8.732 ( -0.000 0.000 -6.213) 6.213 9.727 ( 0.000 0.000 -1.822) 1.822 9.727 ( -0.000 0.000 -1.822) 1.822 10.101 ( 0.000 0.000 -2.947) 2.947 10.101 ( -0.000 0.000 -2.947) 2.947 10.173 ( -0.000 0.000 -4.178) 4.178 10.770 ( -0.000 0.000 -9.452) 9.452 10.838 ( 0.000 0.000 -3.295) 3.295 10.838 ( -0.000 0.000 -3.295) 3.295 11.588 ( 0.000 -0.000 18.184) 18.184 12.145 ( 0.000 -0.000 3.453) 3.453 12.145 ( 0.000 -0.000 3.453) 3.453 13.413 ( -0.000 0.000 -13.780) 13.780 13.798 ( 0.000 -0.000 2.139) 2.139 13.798 ( -0.000 0.000 2.139) 2.139 14.154 ( -0.000 0.000 -7.964) 7.964 14.372 ( 0.000 -0.000 0.912) 0.912 14.372 ( -0.000 0.000 0.912) 0.912 14.497 ( -0.000 0.000 -4.438) 4.438 16.667 ( 0.000 -0.000 -0.854) 0.854 16.667 ( -0.000 0.000 -0.854) 0.854 16.989 ( 0.000 -0.000 2.382) 2.382 17.165 ( 0.000 0.000 -9.741) 9.741 17.165 ( -0.000 0.000 -9.741) 9.741 18.614 ( 0.000 -0.000 6.526) 6.526 19.018 ( -0.000 0.000 -2.442) 2.442 19.020 ( 0.000 -0.000 14.579) 14.579 19.020 ( 0.000 -0.000 14.579) 14.579 20.216 ( 0.000 0.000 -3.307) 3.307 20.216 ( -0.000 0.000 -3.307) 3.307 20.900 ( -0.000 0.000 -1.424) 1.424 ======================= Grid point 231 (86/90) ======================= q-point: (-0.50 0.38 0.38) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -2.978 -1.493 6.921) 7.681 2.264 ( -0.834 -4.947 -4.938) 7.040 2.391 ( 2.172 4.412 -7.395) 8.880 2.804 ( -1.344 -0.179 -5.072) 5.250 3.180 ( -2.436 -0.045 5.215) 5.756 3.268 ( 1.238 0.591 7.598) 7.721 3.313 ( -6.722 -10.040 6.088) 13.530 3.441 ( -9.949 2.619 -0.970) 10.334 3.730 ( 8.363 -0.545 -0.559) 8.400 3.786 ( 0.871 -0.803 -2.075) 2.389 3.874 ( -4.834 1.636 -5.569) 7.553 3.974 ( 6.060 4.823 -0.048) 7.745 4.315 ( 5.338 -0.944 -7.132) 8.958 4.403 ( 3.790 2.478 -8.717) 9.823 5.045 ( -10.632 -0.076 -1.463) 10.733 5.144 ( 1.397 -8.396 1.240) 8.601 5.332 ( 5.789 9.563 -0.531) 11.191 5.718 ( 0.515 4.220 -5.892) 7.266 5.771 ( 3.368 2.101 -0.706) 4.032 5.822 ( 6.722 -2.334 5.590) 9.049 5.988 ( 1.772 1.020 4.384) 4.837 6.839 ( -6.333 -5.591 -3.245) 9.050 7.176 ( -5.281 0.312 -0.340) 5.301 7.321 ( 5.439 2.167 -2.579) 6.397 8.431 ( -8.464 -3.198 0.534) 9.063 8.644 ( -1.616 7.314 -4.408) 8.691 8.708 ( 11.323 -4.244 -5.737) 13.383 9.613 ( -2.641 -6.059 -2.971) 7.246 9.688 ( 0.308 3.010 -7.173) 7.785 9.968 ( -9.437 2.635 -5.592) 11.281 10.100 ( 3.823 -4.215 3.465) 6.662 10.260 ( 6.329 3.196 2.305) 7.456 10.647 ( -2.686 0.617 -5.383) 6.047 10.800 ( 1.324 3.635 -0.433) 3.893 10.890 ( 8.478 1.955 -4.128) 9.630 11.855 ( 3.171 -1.507 17.319) 17.671 12.124 ( -4.639 -1.419 2.393) 5.409 12.239 ( 4.077 3.134 -0.166) 5.145 13.120 ( -9.536 -4.857 -13.331) 17.095 13.744 ( -9.410 5.997 0.280) 11.162 13.848 ( 6.281 -6.851 -2.138) 9.537 14.088 ( 2.356 -4.798 -2.192) 5.778 14.285 ( -3.708 5.446 2.123) 6.922 14.444 ( 2.039 -4.250 0.843) 4.788 14.591 ( 9.965 8.388 -2.603) 13.282 16.525 ( -5.370 -2.755 -1.273) 6.169 16.764 ( 7.577 3.412 -5.677) 10.064 16.974 ( 0.484 -7.369 -1.408) 7.518 17.020 ( -3.923 6.448 -0.171) 7.550 17.171 ( 6.057 3.370 -6.589) 9.563 18.659 ( -5.871 -2.840 7.451) 9.902 18.956 ( -2.880 -2.396 -1.650) 4.093 19.171 ( 0.254 -3.338 12.061) 12.517 19.278 ( 2.474 4.760 11.447) 12.641 20.067 ( -4.691 -1.580 -2.582) 5.583 20.238 ( 3.618 1.152 -6.726) 7.724 20.888 ( 0.718 0.422 -1.143) 1.414 ======================= Grid point 232 (87/90) ======================= q-point: (-0.38 0.38 0.38) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -3.322 -4.450 11.883) 13.116 2.192 ( -1.080 -5.813 2.880) 6.576 2.317 ( 0.878 4.136 -11.679) 12.421 2.683 ( -2.369 -0.356 -7.350) 7.730 3.136 ( -7.162 -1.710 0.961) 7.425 3.249 ( -3.744 -10.362 3.038) 11.428 3.288 ( -12.554 4.584 3.265) 13.758 3.359 ( -0.270 -0.060 0.655) 0.711 3.625 ( -0.658 -5.903 -5.613) 8.172 3.812 ( -2.353 8.965 -2.241) 9.536 3.942 ( 9.398 -0.907 1.819) 9.616 4.142 ( 11.140 5.963 1.948) 12.785 4.328 ( 8.437 -4.510 -6.926) 11.810 4.413 ( 5.997 7.620 -0.557) 9.713 4.903 ( -9.986 -0.428 2.065) 10.207 5.132 ( -0.825 -5.214 3.054) 6.098 5.447 ( 4.378 6.250 -2.165) 7.932 5.739 ( 0.581 5.799 1.222) 5.955 5.797 ( -0.673 -0.217 -0.550) 0.896 5.956 ( 11.467 -2.648 1.617) 11.879 6.100 ( 7.201 4.500 -0.043) 8.491 6.649 ( -6.679 -5.304 -4.516) 9.651 7.115 ( -5.566 0.947 1.359) 5.807 7.344 ( 2.685 0.870 -3.255) 4.308 8.383 ( -6.423 1.266 6.679) 9.352 8.568 ( -2.008 -0.235 -4.730) 5.144 8.755 ( 11.314 -1.967 -6.789) 13.340 9.550 ( -1.188 -4.955 4.567) 6.843 9.643 ( 1.447 1.827 -3.582) 4.273 9.788 ( -6.250 3.288 -6.944) 9.904 10.171 ( 1.307 0.504 2.864) 3.189 10.407 ( 2.009 -1.922 5.185) 5.884 10.555 ( 1.437 2.875 -4.050) 5.170 10.915 ( 6.856 6.948 1.795) 9.925 10.964 ( 9.239 3.193 -4.873) 10.923 12.030 ( -3.058 -5.830 4.824) 8.162 12.158 ( 4.769 -2.219 8.454) 9.956 12.267 ( 0.668 6.914 -3.309) 7.695 12.785 ( -10.732 -4.105 -9.350) 14.813 13.628 ( -9.061 -1.745 -1.881) 9.417 13.860 ( 0.956 2.586 0.567) 2.814 14.074 ( -0.376 -6.904 2.734) 7.435 14.299 ( 5.607 -1.317 -3.119) 6.550 14.543 ( 2.690 6.093 6.184) 9.089 14.699 ( 8.940 5.200 -6.595) 12.266 16.490 ( -1.207 -0.931 4.920) 5.151 16.725 ( 2.223 3.591 -10.840) 11.634 16.918 ( -1.224 -7.001 1.489) 7.262 17.130 ( 5.212 9.007 3.170) 10.878 17.169 ( 4.867 1.756 -5.706) 7.702 18.629 ( -9.595 -4.055 6.939) 12.516 18.854 ( -4.012 -3.732 -3.060) 6.276 19.284 ( -0.178 -6.485 8.854) 10.977 19.433 ( -0.391 4.703 2.409) 5.299 20.039 ( -3.078 5.700 3.717) 7.469 20.150 ( 2.832 -4.628 -8.704) 10.257 20.894 ( 1.250 0.723 -0.647) 1.583 ======================= Grid point 239 (88/90) ======================= q-point: (-0.50 0.50 0.38) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -0.416 -4.090 9.921) 10.739 2.205 ( -1.020 -1.990 -1.984) 2.989 2.318 ( 0.538 5.964 -6.866) 9.111 2.716 ( 0.393 -3.207 -6.385) 7.156 3.242 ( 2.916 -5.726 3.242) 7.197 3.307 ( -3.679 -0.159 0.500) 3.716 3.330 ( -0.565 -9.756 3.875) 10.513 3.583 ( 6.541 -0.052 0.847) 6.596 3.656 ( -3.011 -7.055 -0.974) 7.732 3.763 ( -4.882 3.578 3.220) 6.856 3.899 ( 6.167 6.641 -5.166) 10.432 3.952 ( 1.868 1.701 2.655) 3.665 4.119 ( -6.159 0.197 -4.677) 7.736 4.337 ( 0.114 11.332 -7.504) 13.592 5.039 ( 2.537 -5.230 -1.080) 5.912 5.209 ( -6.891 0.067 1.167) 6.989 5.293 ( 6.150 7.604 -0.475) 9.791 5.666 ( 2.276 4.255 -2.267) 5.331 5.716 ( -2.322 8.566 -2.979) 9.361 5.937 ( -0.929 -0.987 4.163) 4.378 6.036 ( -0.283 0.091 4.826) 4.835 6.772 ( -0.554 -10.808 -3.195) 11.284 7.222 ( 5.115 -0.264 -1.536) 5.347 7.246 ( -4.124 2.624 -0.991) 4.988 8.495 ( 6.278 -3.237 1.292) 7.181 8.535 ( -2.840 -0.501 0.582) 2.942 8.647 ( -4.086 5.943 -7.775) 10.605 9.584 ( -2.014 -0.603 -1.760) 2.742 9.607 ( 1.027 1.909 -4.280) 4.798 9.923 ( 4.165 -10.391 -2.007) 11.373 10.113 ( -3.133 1.489 1.218) 3.676 10.319 ( -0.151 13.019 2.253) 13.214 10.582 ( 0.927 -4.937 -2.442) 5.585 10.789 ( 2.004 2.924 0.053) 3.545 10.846 ( -1.975 7.603 -2.596) 8.273 12.059 ( -3.077 -2.419 12.939) 13.518 12.184 ( -0.978 -2.312 -1.140) 2.757 12.209 ( 3.558 3.714 2.076) 5.546 12.943 ( 0.414 -7.566 -11.914) 14.119 13.711 ( 2.915 -9.479 1.488) 10.028 13.858 ( -2.245 3.302 -1.950) 4.444 14.051 ( -1.862 6.446 -1.921) 6.979 14.345 ( 1.478 -5.517 -1.761) 5.976 14.426 ( -1.460 2.558 5.457) 6.201 14.577 ( 0.850 8.974 -1.934) 9.219 16.523 ( -0.171 -2.677 1.220) 2.947 16.661 ( 0.536 5.385 -8.269) 9.883 16.949 ( -2.727 -5.055 3.137) 6.544 17.054 ( 2.643 3.304 -1.454) 4.474 17.101 ( -0.110 6.269 -3.250) 7.062 18.759 ( 0.466 -4.948 5.797) 7.636 18.924 ( -0.353 -4.182 -2.465) 4.867 19.312 ( -2.543 -3.036 9.696) 10.474 19.411 ( 2.071 3.502 5.207) 6.608 20.005 ( 1.259 -6.403 -0.113) 6.526 20.172 ( -0.957 6.203 -7.285) 9.616 20.875 ( 0.002 0.834 -0.654) 1.060 ======================= Grid point 241 (89/90) ======================= q-point: (-0.38 -0.50 0.38) 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 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -1.233 -2.245 3.431) 4.282 2.177 ( -1.618 -1.236 -2.674) 3.361 2.278 ( 1.679 2.432 1.111) 3.157 2.626 ( -1.453 -3.317 -0.404) 3.644 3.172 ( -5.137 -7.783 -3.073) 9.818 3.266 ( -4.365 -4.972 0.758) 6.660 3.319 ( -0.922 -2.909 2.044) 3.673 3.463 ( -2.146 -10.279 -2.072) 10.703 3.637 ( -2.758 2.016 2.146) 4.034 3.737 ( 1.807 -4.306 -3.704) 5.960 3.943 ( 0.195 10.386 -0.329) 10.393 4.106 ( 7.631 8.924 -0.458) 11.751 4.180 ( 3.485 4.057 6.019) 8.052 4.388 ( 5.095 9.798 -0.824) 11.074 4.963 ( -3.100 -5.346 -2.808) 6.788 5.196 ( -0.843 -1.057 3.750) 3.986 5.386 ( 4.052 6.362 -3.339) 8.249 5.710 ( 3.556 5.388 -1.578) 6.646 5.788 ( 1.562 2.989 0.282) 3.384 5.970 ( 3.070 6.966 2.994) 8.180 6.071 ( -0.047 -0.741 0.253) 0.785 6.635 ( -5.177 -8.986 0.359) 10.377 7.167 ( -0.730 -2.627 -2.016) 3.391 7.289 ( 0.725 2.367 0.612) 2.550 8.471 ( -2.982 -3.487 -7.329) 8.647 8.558 ( 1.696 0.073 0.145) 1.704 8.632 ( 2.638 5.755 8.510) 10.607 9.584 ( 0.462 1.077 2.221) 2.511 9.608 ( 1.447 2.670 -0.286) 3.051 9.782 ( -4.102 -7.321 -4.222) 9.394 10.165 ( 1.914 2.386 1.285) 3.318 10.476 ( 2.521 6.483 4.017) 8.032 10.493 ( -0.539 -1.975 -4.218) 4.688 10.860 ( 2.877 6.877 -2.320) 7.807 10.912 ( 5.288 6.966 1.947) 8.960 12.107 ( -4.593 -3.354 2.581) 6.246 12.151 ( 2.065 -5.117 3.023) 6.292 12.282 ( 1.874 7.486 -4.548) 8.957 12.750 ( -5.170 -8.829 -1.043) 10.285 13.652 ( -2.937 -6.294 -1.638) 7.136 13.825 ( -2.034 -2.762 -0.088) 3.432 14.136 ( 4.415 7.898 2.584) 9.410 14.260 ( -2.272 -3.420 1.775) 4.473 14.567 ( 3.599 5.794 -4.400) 8.117 14.609 ( 3.632 6.143 2.432) 7.539 16.572 ( 0.319 0.776 7.240) 7.289 16.589 ( 1.269 1.923 -8.152) 8.471 16.940 ( -1.909 -4.249 3.938) 6.099 17.093 ( 0.110 5.556 -4.396) 7.086 17.140 ( 6.063 6.128 1.039) 8.683 18.732 ( -3.903 -7.061 -1.224) 8.160 18.844 ( -3.056 -4.920 1.079) 5.891 19.364 ( -2.264 -3.390 5.451) 6.807 19.445 ( 0.972 0.987 -4.447) 4.658 20.005 ( -1.997 -3.379 -3.698) 5.393 20.135 ( 2.670 4.625 2.920) 6.087 20.883 ( 0.666 1.155 -0.001) 1.333 ======================= Grid point 318 (90/90) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -0.000 0.000 -0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.313 ( -0.000 0.000 0.000) 0.000 3.403 ( 0.000 -0.000 0.000) 0.000 3.716 ( -0.000 -0.000 -0.000) 0.000 3.716 ( 0.000 -0.000 0.000) 0.000 3.758 ( 0.000 0.000 -0.000) 0.000 3.758 ( -0.000 0.000 0.000) 0.000 3.969 ( 0.000 -0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.096 ( -0.000 0.000 -0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.221 ( -0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.616 ( -0.000 0.000 0.000) 0.000 5.616 ( -0.000 0.000 0.000) 0.000 5.967 ( -0.000 0.000 0.000) 0.000 6.097 ( -0.000 0.000 0.000) 0.000 6.834 ( -0.000 0.000 0.000) 0.000 7.213 ( -0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 -0.000) 0.000 8.537 ( -0.000 0.000 0.000) 0.000 8.545 ( 0.000 0.000 0.000) 0.000 9.564 ( -0.000 0.000 0.000) 0.000 9.564 ( 0.000 0.000 0.000) 0.000 10.110 ( -0.000 -0.000 0.000) 0.000 10.110 ( -0.000 0.000 0.000) 0.000 10.112 ( 0.000 -0.000 0.000) 0.000 10.607 ( -0.000 0.000 0.000) 0.000 10.768 ( -0.000 0.000 0.000) 0.000 10.768 ( -0.000 0.000 0.000) 0.000 12.188 ( -0.000 0.000 0.000) 0.000 12.196 ( -0.000 0.000 0.000) 0.000 12.196 ( -0.000 0.000 0.000) 0.000 12.898 ( 0.000 0.000 0.000) 0.000 13.819 ( -0.000 0.000 0.000) 0.000 13.819 ( 0.000 0.000 0.000) 0.000 13.947 ( -0.000 0.000 0.000) 0.000 14.414 ( 0.000 0.000 0.000) 0.000 14.459 ( -0.000 -0.000 0.000) 0.000 14.459 ( 0.000 0.000 0.000) 0.000 16.557 ( -0.000 0.000 0.000) 0.000 16.557 ( 0.000 0.000 0.000) 0.000 17.001 ( -0.000 0.000 0.000) 0.000 17.026 ( 0.000 0.000 -0.000) 0.000 17.026 ( 0.000 0.000 0.000) 0.000 18.845 ( 0.000 0.000 -0.000) 0.000 18.935 ( 0.000 0.000 0.000) 0.000 19.419 ( 0.000 0.000 0.000) 0.000 19.419 ( 0.000 0.000 0.000) 0.000 20.056 ( -0.000 0.000 -0.000) 0.000 20.056 ( 0.000 0.000 0.000) 0.000 20.863 ( 0.000 0.000 0.000) 0.000 =================== 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 3/29184 10.0 2970.222 2970.222 2960.830 0.000 -0.000 -0.000 3/29184 20.0 465.475 465.475 711.431 0.000 -0.000 -0.000 3/29184 30.0 153.121 153.121 249.111 0.000 -0.000 -0.000 3/29184 40.0 75.768 75.768 124.703 0.000 -0.000 -0.000 3/29184 50.0 46.573 46.573 76.593 0.000 -0.000 -0.000 3/29184 60.0 32.504 32.504 53.246 0.000 -0.000 -0.000 3/29184 70.0 24.560 24.560 40.056 0.000 -0.000 -0.000 3/29184 80.0 19.566 19.566 31.781 0.000 -0.000 -0.000 3/29184 90.0 16.181 16.181 26.186 0.000 -0.000 -0.000 3/29184 100.0 13.755 13.755 22.187 0.000 -0.000 -0.000 3/29184 110.0 11.942 11.942 19.205 0.000 -0.000 -0.000 3/29184 120.0 10.542 10.542 16.905 0.000 -0.000 -0.000 3/29184 130.0 9.431 9.431 15.084 0.000 -0.000 -0.000 3/29184 140.0 8.531 8.531 13.610 0.000 -0.000 -0.000 3/29184 150.0 7.787 7.787 12.394 0.000 -0.000 -0.000 3/29184 160.0 7.163 7.163 11.376 0.000 -0.000 -0.000 3/29184 170.0 6.633 6.633 10.511 0.000 -0.000 -0.000 3/29184 180.0 6.177 6.177 9.769 0.000 -0.000 -0.000 3/29184 190.0 5.781 5.781 9.124 0.000 -0.000 -0.000 3/29184 200.0 5.434 5.434 8.560 0.000 -0.000 -0.000 3/29184 210.0 5.127 5.127 8.063 0.000 -0.000 -0.000 3/29184 220.0 4.854 4.854 7.621 0.000 -0.000 -0.000 3/29184 230.0 4.609 4.609 7.225 0.000 -0.000 -0.000 3/29184 240.0 4.388 4.388 6.870 0.000 -0.000 -0.000 3/29184 250.0 4.188 4.188 6.548 0.000 -0.000 -0.000 3/29184 260.0 4.007 4.007 6.256 0.000 -0.000 -0.000 3/29184 270.0 3.840 3.840 5.989 0.000 -0.000 -0.000 3/29184 280.0 3.688 3.688 5.745 0.000 -0.000 -0.000 3/29184 290.0 3.547 3.547 5.520 0.000 -0.000 -0.000 3/29184 300.0 3.417 3.417 5.312 0.000 -0.000 -0.000 3/29184 310.0 3.297 3.297 5.120 0.000 -0.000 -0.000 3/29184 320.0 3.184 3.184 4.942 0.000 -0.000 -0.000 3/29184 330.0 3.080 3.080 4.776 0.000 -0.000 -0.000 3/29184 340.0 2.982 2.982 4.621 0.000 -0.000 -0.000 3/29184 350.0 2.891 2.891 4.476 0.000 -0.000 -0.000 3/29184 360.0 2.805 2.805 4.340 0.000 -0.000 -0.000 3/29184 370.0 2.724 2.724 4.213 0.000 -0.000 -0.000 3/29184 380.0 2.648 2.648 4.093 0.000 -0.000 -0.000 3/29184 390.0 2.576 2.576 3.979 0.000 -0.000 -0.000 3/29184 400.0 2.508 2.508 3.872 0.000 -0.000 -0.000 3/29184 410.0 2.443 2.443 3.771 0.000 -0.000 -0.000 3/29184 420.0 2.382 2.382 3.674 0.000 -0.000 -0.000 3/29184 430.0 2.324 2.324 3.583 0.000 -0.000 -0.000 3/29184 440.0 2.269 2.269 3.497 0.000 -0.000 -0.000 3/29184 450.0 2.216 2.216 3.414 0.000 -0.000 -0.000 3/29184 460.0 2.166 2.166 3.335 0.000 -0.000 -0.000 3/29184 470.0 2.118 2.118 3.260 0.000 -0.000 -0.000 3/29184 480.0 2.072 2.072 3.189 0.000 -0.000 -0.000 3/29184 490.0 2.028 2.028 3.120 0.000 -0.000 -0.000 3/29184 500.0 1.986 1.986 3.055 0.000 -0.000 -0.000 3/29184 510.0 1.946 1.946 2.992 0.000 -0.000 -0.000 3/29184 520.0 1.907 1.907 2.932 0.000 -0.000 -0.000 3/29184 530.0 1.870 1.870 2.874 0.000 -0.000 -0.000 3/29184 540.0 1.834 1.834 2.818 0.000 -0.000 -0.000 3/29184 550.0 1.800 1.800 2.765 0.000 -0.000 -0.000 3/29184 560.0 1.767 1.767 2.713 0.000 -0.000 -0.000 3/29184 570.0 1.735 1.735 2.664 0.000 -0.000 -0.000 3/29184 580.0 1.704 1.704 2.616 0.000 -0.000 -0.000 3/29184 590.0 1.675 1.675 2.570 0.000 -0.000 -0.000 3/29184 600.0 1.646 1.646 2.526 0.000 -0.000 -0.000 3/29184 610.0 1.618 1.618 2.483 0.000 -0.000 -0.000 3/29184 620.0 1.592 1.592 2.442 0.000 -0.000 -0.000 3/29184 630.0 1.566 1.566 2.402 0.000 -0.000 -0.000 3/29184 640.0 1.541 1.541 2.363 0.000 -0.000 -0.000 3/29184 650.0 1.517 1.517 2.325 0.000 -0.000 -0.000 3/29184 660.0 1.493 1.493 2.289 0.000 -0.000 -0.000 3/29184 670.0 1.470 1.470 2.254 0.000 -0.000 -0.000 3/29184 680.0 1.448 1.448 2.220 0.000 -0.000 -0.000 3/29184 690.0 1.427 1.427 2.187 0.000 -0.000 -0.000 3/29184 700.0 1.406 1.406 2.155 0.000 -0.000 -0.000 3/29184 710.0 1.386 1.386 2.124 0.000 -0.000 -0.000 3/29184 720.0 1.366 1.366 2.093 0.000 -0.000 -0.000 3/29184 730.0 1.347 1.347 2.064 0.000 -0.000 -0.000 3/29184 740.0 1.329 1.329 2.035 0.000 -0.000 -0.000 3/29184 750.0 1.311 1.311 2.008 0.000 -0.000 -0.000 3/29184 760.0 1.293 1.293 1.981 0.000 -0.000 -0.000 3/29184 770.0 1.276 1.276 1.954 0.000 -0.000 -0.000 3/29184 780.0 1.260 1.260 1.929 0.000 -0.000 -0.000 3/29184 790.0 1.244 1.244 1.904 0.000 -0.000 -0.000 3/29184 800.0 1.228 1.228 1.880 0.000 -0.000 -0.000 3/29184 810.0 1.212 1.212 1.856 0.000 -0.000 -0.000 3/29184 820.0 1.197 1.197 1.833 0.000 -0.000 -0.000 3/29184 830.0 1.183 1.183 1.810 0.000 -0.000 -0.000 3/29184 840.0 1.169 1.169 1.788 0.000 -0.000 -0.000 3/29184 850.0 1.155 1.155 1.767 0.000 -0.000 -0.000 3/29184 860.0 1.141 1.141 1.746 0.000 -0.000 -0.000 3/29184 870.0 1.128 1.128 1.726 0.000 -0.000 -0.000 3/29184 880.0 1.115 1.115 1.706 0.000 -0.000 -0.000 3/29184 890.0 1.102 1.102 1.686 0.000 -0.000 -0.000 3/29184 900.0 1.090 1.090 1.667 0.000 -0.000 -0.000 3/29184 910.0 1.078 1.078 1.649 0.000 -0.000 -0.000 3/29184 920.0 1.066 1.066 1.630 0.000 -0.000 -0.000 3/29184 930.0 1.054 1.054 1.613 0.000 -0.000 -0.000 3/29184 940.0 1.043 1.043 1.595 0.000 -0.000 -0.000 3/29184 950.0 1.032 1.032 1.578 0.000 -0.000 -0.000 3/29184 960.0 1.021 1.021 1.561 0.000 -0.000 -0.000 3/29184 970.0 1.010 1.010 1.545 0.000 -0.000 -0.000 3/29184 980.0 1.000 1.000 1.529 0.000 -0.000 -0.000 3/29184 990.0 0.990 0.990 1.514 0.000 -0.000 -0.000 3/29184 1000.0 0.980 0.980 1.498 0.000 -0.000 -0.000 3/29184 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:08:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|