----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:56:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.450051511807944 -4.403730895000000 0.000000000000000 b 7.450051511807944 4.403730895000000 0.000000000000000 c -7.340449464064632 0.000000000000000 7.623203177531655 Atomic positions (fractional): *1 Ba 0.21276717421835 0.14684752728021 0.05548042089221 137.327 2 Ba 0.85315247271979 0.78723282578165 0.44451957910779 137.327 3 Ba 0.78723282578165 0.85315247271979 0.94451957910779 137.327 4 Ba 0.14684752728021 0.21276717421835 0.55548042089221 137.327 *5 V 0.35941034535505 0.64058965464495 0.25000000000000 50.941 6 V 0.64058965464495 0.35941034535505 0.75000000000000 50.941 *7 Cu 0.34737003080222 0.66803385049509 0.50616691478418 63.546 8 Cu 0.66803385049509 0.34737003080222 0.00616691478418 63.546 *9 Cu 0.33568292102043 0.66431707897957 0.75000000000000 63.546 10 Cu 0.66431707897957 0.33568292102043 0.25000000000000 63.546 11 Cu 0.65262996919778 0.33196614950491 0.49383308521582 63.546 12 Cu 0.33196614950491 0.65262996919778 0.99383308521582 63.546 *13 S 0.38093136213410 0.38129234450961 0.01362303547443 32.065 *14 S 0.93603728919375 0.30608959485689 0.23854334421598 32.065 15 S 0.61906863786590 0.61870765549039 0.98637696452557 32.065 *16 S 0.90039850256128 0.34814239000852 0.75828019688471 32.065 17 S 0.06396271080625 0.69391040514312 0.76145665578402 32.065 18 S 0.30608959485689 0.93603728919375 0.73854334421598 32.065 19 S 0.09960149743872 0.65185760999148 0.24171980311529 32.065 20 S 0.61870765549039 0.61906863786590 0.48637696452557 32.065 21 S 0.34814239000852 0.90039850256128 0.25828019688471 32.065 22 S 0.69391040514312 0.06396271080625 0.26145665578402 32.065 23 S 0.38129234450961 0.38093136213410 0.51362303547443 32.065 24 S 0.65185760999148 0.09960149743872 0.74171980311529 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.900103023615888 0.000000000000000 0.000000000000000 b 0.000000000000000 8.807461790000000 0.000000000000000 c -7.340449464064632 0.000000000000000 7.623203177531655 Atomic positions (fractional): *1 Ba 0.67980735074928 0.46704017653093 0.05548042089221 137.327 > 1 2 Ba 0.32019264925072 0.46704017653093 0.44451957910779 137.327 > 2 3 Ba 0.82019264925072 0.03295982346907 0.94451957910779 137.327 > 3 4 Ba 0.17980735074928 0.03295982346907 0.55548042089221 137.327 > 4 5 Ba 0.17980735074928 0.96704017653093 0.05548042089221 137.327 > 1 6 Ba 0.82019264925072 0.96704017653093 0.44451957910779 137.327 > 2 7 Ba 0.32019264925072 0.53295982346907 0.94451957910779 137.327 > 3 8 Ba 0.67980735074928 0.53295982346907 0.55548042089221 137.327 > 4 *9 V 0.00000000000000 0.64058965464495 0.25000000000000 50.941 > 5 10 V 0.50000000000000 0.85941034535505 0.75000000000000 50.941 > 6 11 V 0.50000000000000 0.14058965464495 0.25000000000000 50.941 > 5 12 V 0.00000000000000 0.35941034535505 0.75000000000000 50.941 > 6 *13 Cu 0.00770194064865 0.66033190984644 0.50616691478418 63.546 > 7 14 Cu 0.00770194064865 0.33966809015356 0.00616691478418 63.546 > 8 *15 Cu 0.50000000000000 0.16431707897957 0.75000000000000 63.546 > 9 16 Cu 0.00000000000000 0.33568292102043 0.25000000000000 63.546 > 10 17 Cu 0.49229805935135 0.83966809015356 0.49383308521582 63.546 > 11 18 Cu 0.49229805935135 0.16033190984644 0.99383308521582 63.546 > 12 19 Cu 0.50770194064865 0.16033190984644 0.50616691478418 63.546 > 7 20 Cu 0.50770194064865 0.83966809015356 0.00616691478418 63.546 > 8 21 Cu 0.00000000000000 0.66431707897957 0.75000000000000 63.546 > 9 22 Cu 0.50000000000000 0.83568292102043 0.25000000000000 63.546 > 10 23 Cu 0.99229805935135 0.33966809015356 0.49383308521582 63.546 > 11 24 Cu 0.99229805935135 0.66033190984644 0.99383308521582 63.546 > 12 *25 S 0.88111185332186 0.50018049118775 0.01362303547443 32.065 > 13 *26 S 0.12106344202532 0.18502615283157 0.23854334421598 32.065 > 14 27 S 0.61888814667814 0.99981950881225 0.98637696452557 32.065 > 15 *28 S 0.62427044628490 0.72387194372362 0.75828019688471 32.065 > 16 29 S 0.37893655797468 0.31497384716843 0.76145665578402 32.065 > 17 30 S 0.12106344202532 0.81497384716843 0.73854334421598 32.065 > 18 31 S 0.87572955371510 0.77612805627638 0.24171980311529 32.065 > 19 32 S 0.11888814667814 0.50018049118775 0.48637696452557 32.065 > 20 33 S 0.12427044628490 0.77612805627638 0.25828019688471 32.065 > 21 34 S 0.37893655797468 0.68502615283157 0.26145665578402 32.065 > 22 35 S 0.38111185332186 0.99981950881225 0.51362303547443 32.065 > 23 36 S 0.37572955371510 0.72387194372362 0.74171980311529 32.065 > 24 37 S 0.38111185332186 0.00018049118775 0.01362303547443 32.065 > 13 38 S 0.62106344202532 0.68502615283157 0.23854334421598 32.065 > 14 39 S 0.11888814667814 0.49981950881225 0.98637696452557 32.065 > 15 40 S 0.12427044628490 0.22387194372362 0.75828019688471 32.065 > 16 41 S 0.87893655797468 0.81497384716843 0.76145665578402 32.065 > 17 42 S 0.62106344202532 0.31497384716843 0.73854334421598 32.065 > 18 43 S 0.37572955371510 0.27612805627638 0.24171980311529 32.065 > 19 44 S 0.61888814667814 0.00018049118775 0.48637696452557 32.065 > 20 45 S 0.62427044628490 0.27612805627638 0.25828019688471 32.065 > 21 46 S 0.87893655797468 0.18502615283157 0.26145665578402 32.065 > 22 47 S 0.88111185332186 0.49981950881225 0.51362303547443 32.065 > 23 48 S 0.87572955371510 0.22387194372362 0.74171980311529 32.065 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.900103023615888 0.000000000000000 0.000000000000000 b 0.000000000000000 17.614923579999999 0.000000000000000 c -7.340449464064632 0.000000000000000 7.623203177531655 Atomic positions (fractional): *1 Ba 0.67980735074928 0.23352008826547 0.05548042089221 137.327 > 1 2 Ba 0.67980735074928 0.73352008826547 0.05548042089221 137.327 > 1 3 Ba 0.32019264925072 0.23352008826547 0.44451957910779 137.327 > 2 4 Ba 0.32019264925072 0.73352008826547 0.44451957910779 137.327 > 2 5 Ba 0.82019264925072 0.01647991173453 0.94451957910779 137.327 > 3 6 Ba 0.82019264925072 0.51647991173453 0.94451957910779 137.327 > 3 7 Ba 0.17980735074928 0.01647991173453 0.55548042089221 137.327 > 4 8 Ba 0.17980735074928 0.51647991173453 0.55548042089221 137.327 > 4 9 Ba 0.17980735074928 0.48352008826547 0.05548042089221 137.327 > 1 10 Ba 0.17980735074928 0.98352008826547 0.05548042089221 137.327 > 1 11 Ba 0.82019264925072 0.48352008826547 0.44451957910779 137.327 > 2 12 Ba 0.82019264925072 0.98352008826547 0.44451957910779 137.327 > 2 13 Ba 0.32019264925072 0.26647991173453 0.94451957910779 137.327 > 3 14 Ba 0.32019264925072 0.76647991173453 0.94451957910779 137.327 > 3 15 Ba 0.67980735074928 0.26647991173453 0.55548042089221 137.327 > 4 16 Ba 0.67980735074928 0.76647991173453 0.55548042089221 137.327 > 4 *17 V 0.00000000000000 0.32029482732247 0.25000000000000 50.941 > 5 18 V 0.00000000000000 0.82029482732247 0.25000000000000 50.941 > 5 19 V 0.50000000000000 0.42970517267753 0.75000000000000 50.941 > 6 20 V 0.50000000000000 0.92970517267753 0.75000000000000 50.941 > 6 21 V 0.50000000000000 0.07029482732247 0.25000000000000 50.941 > 5 22 V 0.50000000000000 0.57029482732247 0.25000000000000 50.941 > 5 23 V 0.00000000000000 0.17970517267753 0.75000000000000 50.941 > 6 24 V 0.00000000000000 0.67970517267753 0.75000000000000 50.941 > 6 *25 Cu 0.00770194064865 0.33016595492322 0.50616691478418 63.546 > 7 26 Cu 0.00770194064865 0.83016595492322 0.50616691478418 63.546 > 7 27 Cu 0.00770194064865 0.16983404507678 0.00616691478418 63.546 > 8 28 Cu 0.00770194064865 0.66983404507678 0.00616691478418 63.546 > 8 *29 Cu 0.50000000000000 0.08215853948979 0.75000000000000 63.546 > 9 30 Cu 0.50000000000000 0.58215853948979 0.75000000000000 63.546 > 9 31 Cu 0.00000000000000 0.16784146051021 0.25000000000000 63.546 > 10 32 Cu 0.00000000000000 0.66784146051021 0.25000000000000 63.546 > 10 33 Cu 0.49229805935135 0.41983404507678 0.49383308521582 63.546 > 11 34 Cu 0.49229805935135 0.91983404507678 0.49383308521582 63.546 > 11 35 Cu 0.49229805935135 0.08016595492322 0.99383308521582 63.546 > 12 36 Cu 0.49229805935135 0.58016595492322 0.99383308521582 63.546 > 12 37 Cu 0.50770194064865 0.08016595492322 0.50616691478418 63.546 > 7 38 Cu 0.50770194064865 0.58016595492322 0.50616691478418 63.546 > 7 39 Cu 0.50770194064865 0.41983404507678 0.00616691478418 63.546 > 8 40 Cu 0.50770194064865 0.91983404507678 0.00616691478418 63.546 > 8 41 Cu 0.00000000000000 0.33215853948979 0.75000000000000 63.546 > 9 42 Cu 0.00000000000000 0.83215853948979 0.75000000000000 63.546 > 9 43 Cu 0.50000000000000 0.41784146051021 0.25000000000000 63.546 > 10 44 Cu 0.50000000000000 0.91784146051021 0.25000000000000 63.546 > 10 45 Cu 0.99229805935135 0.16983404507678 0.49383308521582 63.546 > 11 46 Cu 0.99229805935135 0.66983404507678 0.49383308521582 63.546 > 11 47 Cu 0.99229805935135 0.33016595492322 0.99383308521582 63.546 > 12 48 Cu 0.99229805935135 0.83016595492322 0.99383308521582 63.546 > 12 *49 S 0.88111185332186 0.25009024559388 0.01362303547443 32.065 > 13 50 S 0.88111185332186 0.75009024559388 0.01362303547443 32.065 > 13 *51 S 0.12106344202532 0.09251307641578 0.23854334421598 32.065 > 14 52 S 0.12106344202532 0.59251307641578 0.23854334421598 32.065 > 14 53 S 0.61888814667814 0.49990975440612 0.98637696452557 32.065 > 15 54 S 0.61888814667814 0.99990975440612 0.98637696452557 32.065 > 15 *55 S 0.62427044628490 0.36193597186181 0.75828019688471 32.065 > 16 56 S 0.62427044628490 0.86193597186181 0.75828019688471 32.065 > 16 57 S 0.37893655797468 0.15748692358422 0.76145665578402 32.065 > 17 58 S 0.37893655797468 0.65748692358422 0.76145665578402 32.065 > 17 59 S 0.12106344202532 0.40748692358422 0.73854334421598 32.065 > 18 60 S 0.12106344202532 0.90748692358422 0.73854334421598 32.065 > 18 61 S 0.87572955371510 0.38806402813819 0.24171980311529 32.065 > 19 62 S 0.87572955371510 0.88806402813819 0.24171980311529 32.065 > 19 63 S 0.11888814667814 0.25009024559388 0.48637696452557 32.065 > 20 64 S 0.11888814667814 0.75009024559388 0.48637696452557 32.065 > 20 65 S 0.12427044628490 0.38806402813819 0.25828019688471 32.065 > 21 66 S 0.12427044628490 0.88806402813819 0.25828019688471 32.065 > 21 67 S 0.37893655797468 0.34251307641578 0.26145665578402 32.065 > 22 68 S 0.37893655797468 0.84251307641578 0.26145665578402 32.065 > 22 69 S 0.38111185332186 0.49990975440612 0.51362303547443 32.065 > 23 70 S 0.38111185332186 0.99990975440612 0.51362303547443 32.065 > 23 71 S 0.37572955371510 0.36193597186181 0.74171980311529 32.065 > 24 72 S 0.37572955371510 0.86193597186181 0.74171980311529 32.065 > 24 73 S 0.38111185332186 0.00009024559388 0.01362303547443 32.065 > 13 74 S 0.38111185332186 0.50009024559388 0.01362303547443 32.065 > 13 75 S 0.62106344202532 0.34251307641578 0.23854334421598 32.065 > 14 76 S 0.62106344202532 0.84251307641578 0.23854334421598 32.065 > 14 77 S 0.11888814667814 0.24990975440612 0.98637696452557 32.065 > 15 78 S 0.11888814667814 0.74990975440612 0.98637696452557 32.065 > 15 79 S 0.12427044628490 0.11193597186181 0.75828019688471 32.065 > 16 80 S 0.12427044628490 0.61193597186181 0.75828019688471 32.065 > 16 81 S 0.87893655797468 0.40748692358422 0.76145665578402 32.065 > 17 82 S 0.87893655797468 0.90748692358422 0.76145665578402 32.065 > 17 83 S 0.62106344202532 0.15748692358422 0.73854334421598 32.065 > 18 84 S 0.62106344202532 0.65748692358422 0.73854334421598 32.065 > 18 85 S 0.37572955371510 0.13806402813819 0.24171980311529 32.065 > 19 86 S 0.37572955371510 0.63806402813819 0.24171980311529 32.065 > 19 87 S 0.61888814667814 0.00009024559388 0.48637696452557 32.065 > 20 88 S 0.61888814667814 0.50009024559388 0.48637696452557 32.065 > 20 89 S 0.62427044628490 0.13806402813819 0.25828019688471 32.065 > 21 90 S 0.62427044628490 0.63806402813819 0.25828019688471 32.065 > 21 91 S 0.87893655797468 0.09251307641578 0.26145665578402 32.065 > 22 92 S 0.87893655797468 0.59251307641578 0.26145665578402 32.065 > 22 93 S 0.88111185332186 0.24990975440612 0.51362303547443 32.065 > 23 94 S 0.88111185332186 0.74990975440612 0.51362303547443 32.065 > 23 95 S 0.87572955371510 0.11193597186181 0.74171980311529 32.065 > 24 96 S 0.87572955371510 0.61193597186181 0.74171980311529 32.065 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0114387 0.0000000 -0.7476717 0.0000000 10.4545037 0.0000000 -0.7476965 0.0000000 9.6177245 -------------------------- Born effective charges -------------------------- 1 Ba 3.2217836 0.0639670 -0.0597464 0.0918567 3.1574980 -0.0535139 0.0331126 0.2010693 3.0590360 2 Ba 3.2217836 -0.0639670 -0.0597464 -0.0918567 3.1574980 0.0535139 0.0331126 -0.2010693 3.0590360 3 Ba 3.2217836 0.0639670 -0.0597464 0.0918567 3.1574980 -0.0535139 0.0331126 0.2010693 3.0590360 4 Ba 3.2217836 -0.0639670 -0.0597464 -0.0918567 3.1574980 0.0535139 0.0331126 -0.2010693 3.0590360 5 V 2.0807630 0.0000000 -1.2129089 -0.0000000 1.2040482 0.0000000 -0.7791835 0.0000000 2.0107157 6 V 2.0807630 0.0000000 -1.2129089 -0.0000000 1.2040482 0.0000000 -0.7791835 0.0000000 2.0107157 7 Cu 0.2451020 0.1790976 -0.2112042 0.2782515 0.7861629 0.7117333 -0.0555336 0.3705382 0.5082872 8 Cu 0.2451020 -0.1790976 -0.2112042 -0.2782515 0.7861629 -0.7117333 -0.0555336 -0.3705382 0.5082872 9 Cu 0.8866042 0.0000000 -0.2325491 -0.0000000 0.1977733 0.0000000 -0.2605565 0.0000000 0.3191079 10 Cu 0.8866042 0.0000000 -0.2325491 -0.0000000 0.1977733 0.0000000 -0.2605565 0.0000000 0.3191079 11 Cu 0.2451020 0.1790976 -0.2112042 0.2782515 0.7861629 0.7117333 -0.0555336 0.3705382 0.5082872 12 Cu 0.2451020 -0.1790976 -0.2112042 -0.2782515 0.7861629 -0.7117333 -0.0555336 -0.3705382 0.5082872 13 S -0.3829804 0.4416237 0.8085461 -0.1366473 -0.8664189 -0.8625405 -0.1331719 -0.4431376 -1.9241786 14 S -2.4735073 0.0976002 0.2185444 0.1647245 -2.5057947 0.3451382 0.1885685 0.2483885 -2.1130673 15 S -0.3829804 0.4416237 0.8085461 -0.1366473 -0.8664189 -0.8625405 -0.1331719 -0.4431376 -1.9241786 16 S -2.0940816 1.0368479 -0.0334108 1.2746790 -1.2723582 0.2288389 0.4868944 -0.1522224 -0.6949890 17 S -2.4735073 0.0976002 0.2185444 0.1647245 -2.5057947 0.3451382 0.1885685 0.2483885 -2.1130673 18 S -2.4735073 -0.0976002 0.2185444 -0.1647245 -2.5057947 -0.3451382 0.1885685 -0.2483885 -2.1130673 19 S -2.0940816 1.0368479 -0.0334108 1.2746790 -1.2723582 0.2288389 0.4868944 -0.1522224 -0.6949890 20 S -0.3829804 -0.4416237 0.8085461 0.1366473 -0.8664189 0.8625405 -0.1331719 0.4431376 -1.9241786 21 S -2.0940816 -1.0368479 -0.0334108 -1.2746790 -1.2723582 -0.2288389 0.4868944 0.1522224 -0.6949890 22 S -2.4735073 -0.0976002 0.2185444 -0.1647245 -2.5057947 -0.3451382 0.1885685 -0.2483885 -2.1130673 23 S -0.3829804 -0.4416237 0.8085461 0.1366473 -0.8664189 0.8625405 -0.1331719 0.4431376 -1.9241786 24 S -2.0940816 -1.0368479 -0.0334108 -1.2746790 -1.2723582 -0.2288389 0.4868944 0.1522224 -0.6949890 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 12240/12240 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2708 Number of blocks in projector: 2708 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 237 eigenvectors found. (2) Block: 500 / 592 (2) 241 eigenvectors found. (2) Block: 592 / 592 (2) 86 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 579 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 241 eigenvectors found. (2) Block: 560 / 560 (2) 51 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 241 eigenvectors found. (2) Block: 560 / 560 (2) 51 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 332 Use standard eigh solver. Tree of FC basis block matrices: - (2708, 2654), data: False |-- (332, 325), data: True |-- (332, 325), data: True |-- (332, 325), data: True |-- (560, 550), data: False |-- (560, 550), data: False |-- (560, 18), data: (560, 28) @ (28, 18) |-- (60, 51), data: True |-- (250, 241), data: True |-- (250, 240), data: True |-- (560, 550), data: False |-- (560, 550), data: False |-- (560, 18), data: (560, 28) @ (28, 18) |-- (60, 51), data: True |-- (250, 241), data: True |-- (250, 240), data: True |-- (592, 579), data: False |-- (592, 579), data: False |-- (592, 15), data: (592, 28) @ (28, 15) |-- (92, 86), data: True |-- (250, 241), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.711 Solver_block: 200 / 720 - Time: 0.635 Solver_block: 300 / 720 - Time: 0.643 Solver_block: 400 / 720 - Time: 0.636 Solver_block: 500 / 720 - Time: 0.634 Solver_block: 600 / 720 - Time: 0.639 Solver_block: 700 / 720 - Time: 0.632 Solver_block: 720 / 720 - Time: 0.240 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.877 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 12240/12240 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2708 Number of blocks in projector: 2708 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 237 eigenvectors found. (2) Block: 500 / 592 (2) 241 eigenvectors found. (2) Block: 592 / 592 (2) 86 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 579 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 241 eigenvectors found. (2) Block: 560 / 560 (2) 51 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 241 eigenvectors found. (2) Block: 560 / 560 (2) 51 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 332 Use standard eigh solver. Tree of FC basis block matrices: - (2708, 2654), data: False |-- (332, 325), data: True |-- (332, 325), data: True |-- (332, 325), data: True |-- (560, 550), data: False |-- (560, 550), data: False |-- (560, 18), data: (560, 28) @ (28, 18) |-- (60, 51), data: True |-- (250, 241), data: True |-- (250, 240), data: True |-- (560, 550), data: False |-- (560, 550), data: False |-- (560, 18), data: (560, 28) @ (28, 18) |-- (60, 51), data: True |-- (250, 241), data: True |-- (250, 240), data: True |-- (592, 579), data: False |-- (592, 579), data: False |-- (592, 15), data: (592, 28) @ (28, 15) |-- (92, 86), data: True |-- (250, 241), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 15:57:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:57:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.450051511807944 -4.403730895000000 0.000000000000000 b 7.450051511807944 4.403730895000000 0.000000000000000 c -7.340449464064632 0.000000000000000 7.623203177531655 Atomic positions (fractional): 1 Ba 0.21276717421835 0.14684752728021 0.05548042089221 137.327 2 Ba 0.85315247271979 0.78723282578165 0.44451957910779 137.327 3 Ba 0.78723282578165 0.85315247271979 0.94451957910779 137.327 4 Ba 0.14684752728021 0.21276717421835 0.55548042089221 137.327 5 V 0.35941034535505 0.64058965464495 0.25000000000000 50.941 6 V 0.64058965464495 0.35941034535505 0.75000000000000 50.941 7 Cu 0.34737003080222 0.66803385049509 0.50616691478418 63.546 8 Cu 0.66803385049509 0.34737003080222 0.00616691478418 63.546 9 Cu 0.33568292102043 0.66431707897957 0.75000000000000 63.546 10 Cu 0.66431707897957 0.33568292102043 0.25000000000000 63.546 11 Cu 0.65262996919778 0.33196614950491 0.49383308521582 63.546 12 Cu 0.33196614950491 0.65262996919778 0.99383308521582 63.546 13 S 0.38093136213410 0.38129234450961 0.01362303547443 32.065 14 S 0.93603728919375 0.30608959485689 0.23854334421598 32.065 15 S 0.61906863786590 0.61870765549039 0.98637696452557 32.065 16 S 0.90039850256128 0.34814239000852 0.75828019688471 32.065 17 S 0.06396271080625 0.69391040514312 0.76145665578402 32.065 18 S 0.30608959485689 0.93603728919375 0.73854334421598 32.065 19 S 0.09960149743872 0.65185760999148 0.24171980311529 32.065 20 S 0.61870765549039 0.61906863786590 0.48637696452557 32.065 21 S 0.34814239000852 0.90039850256128 0.25828019688471 32.065 22 S 0.69391040514312 0.06396271080625 0.26145665578402 32.065 23 S 0.38129234450961 0.38093136213410 0.51362303547443 32.065 24 S 0.65185760999148 0.09960149743872 0.74171980311529 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.900103023615888 0.000000000000000 0.000000000000000 b 0.000000000000000 17.614923579999999 0.000000000000000 c -7.340449464064632 0.000000000000000 7.623203177531655 Atomic positions (fractional): 1 Ba 0.67980735074928 0.23352008826547 0.05548042089221 137.327 > 1 2 Ba 0.67980735074928 0.73352008826547 0.05548042089221 137.327 > 1 3 Ba 0.32019264925072 0.23352008826547 0.44451957910779 137.327 > 3 4 Ba 0.32019264925072 0.73352008826547 0.44451957910779 137.327 > 3 5 Ba 0.82019264925072 0.01647991173453 0.94451957910779 137.327 > 5 6 Ba 0.82019264925072 0.51647991173453 0.94451957910779 137.327 > 5 7 Ba 0.17980735074928 0.01647991173453 0.55548042089221 137.327 > 7 8 Ba 0.17980735074928 0.51647991173453 0.55548042089221 137.327 > 7 9 Ba 0.17980735074928 0.48352008826547 0.05548042089221 137.327 > 1 10 Ba 0.17980735074928 0.98352008826547 0.05548042089221 137.327 > 1 11 Ba 0.82019264925072 0.48352008826547 0.44451957910779 137.327 > 3 12 Ba 0.82019264925072 0.98352008826547 0.44451957910779 137.327 > 3 13 Ba 0.32019264925072 0.26647991173453 0.94451957910779 137.327 > 5 14 Ba 0.32019264925072 0.76647991173453 0.94451957910779 137.327 > 5 15 Ba 0.67980735074928 0.26647991173453 0.55548042089221 137.327 > 7 16 Ba 0.67980735074928 0.76647991173453 0.55548042089221 137.327 > 7 17 V 0.00000000000000 0.32029482732247 0.25000000000000 50.941 > 17 18 V 0.00000000000000 0.82029482732247 0.25000000000000 50.941 > 17 19 V 0.50000000000000 0.42970517267753 0.75000000000000 50.941 > 19 20 V 0.50000000000000 0.92970517267753 0.75000000000000 50.941 > 19 21 V 0.50000000000000 0.07029482732247 0.25000000000000 50.941 > 17 22 V 0.50000000000000 0.57029482732247 0.25000000000000 50.941 > 17 23 V 0.00000000000000 0.17970517267753 0.75000000000000 50.941 > 19 24 V 0.00000000000000 0.67970517267753 0.75000000000000 50.941 > 19 25 Cu 0.00770194064865 0.33016595492322 0.50616691478418 63.546 > 25 26 Cu 0.00770194064865 0.83016595492322 0.50616691478418 63.546 > 25 27 Cu 0.00770194064865 0.16983404507678 0.00616691478418 63.546 > 27 28 Cu 0.00770194064865 0.66983404507678 0.00616691478418 63.546 > 27 29 Cu 0.50000000000000 0.08215853948979 0.75000000000000 63.546 > 29 30 Cu 0.50000000000000 0.58215853948979 0.75000000000000 63.546 > 29 31 Cu 0.00000000000000 0.16784146051021 0.25000000000000 63.546 > 31 32 Cu 0.00000000000000 0.66784146051021 0.25000000000000 63.546 > 31 33 Cu 0.49229805935135 0.41983404507678 0.49383308521582 63.546 > 33 34 Cu 0.49229805935135 0.91983404507678 0.49383308521582 63.546 > 33 35 Cu 0.49229805935135 0.08016595492322 0.99383308521582 63.546 > 35 36 Cu 0.49229805935135 0.58016595492322 0.99383308521582 63.546 > 35 37 Cu 0.50770194064865 0.08016595492322 0.50616691478418 63.546 > 25 38 Cu 0.50770194064865 0.58016595492322 0.50616691478418 63.546 > 25 39 Cu 0.50770194064865 0.41983404507678 0.00616691478418 63.546 > 27 40 Cu 0.50770194064865 0.91983404507678 0.00616691478418 63.546 > 27 41 Cu 0.00000000000000 0.33215853948979 0.75000000000000 63.546 > 29 42 Cu 0.00000000000000 0.83215853948979 0.75000000000000 63.546 > 29 43 Cu 0.50000000000000 0.41784146051021 0.25000000000000 63.546 > 31 44 Cu 0.50000000000000 0.91784146051021 0.25000000000000 63.546 > 31 45 Cu 0.99229805935135 0.16983404507678 0.49383308521582 63.546 > 33 46 Cu 0.99229805935135 0.66983404507678 0.49383308521582 63.546 > 33 47 Cu 0.99229805935135 0.33016595492322 0.99383308521582 63.546 > 35 48 Cu 0.99229805935135 0.83016595492322 0.99383308521582 63.546 > 35 49 S 0.88111185332186 0.25009024559388 0.01362303547443 32.065 > 49 50 S 0.88111185332186 0.75009024559388 0.01362303547443 32.065 > 49 51 S 0.12106344202532 0.09251307641578 0.23854334421598 32.065 > 51 52 S 0.12106344202532 0.59251307641578 0.23854334421598 32.065 > 51 53 S 0.61888814667814 0.49990975440612 0.98637696452557 32.065 > 53 54 S 0.61888814667814 0.99990975440612 0.98637696452557 32.065 > 53 55 S 0.62427044628490 0.36193597186181 0.75828019688471 32.065 > 55 56 S 0.62427044628490 0.86193597186181 0.75828019688471 32.065 > 55 57 S 0.37893655797468 0.15748692358422 0.76145665578402 32.065 > 57 58 S 0.37893655797468 0.65748692358422 0.76145665578402 32.065 > 57 59 S 0.12106344202532 0.40748692358422 0.73854334421598 32.065 > 59 60 S 0.12106344202532 0.90748692358422 0.73854334421598 32.065 > 59 61 S 0.87572955371510 0.38806402813819 0.24171980311529 32.065 > 61 62 S 0.87572955371510 0.88806402813819 0.24171980311529 32.065 > 61 63 S 0.11888814667814 0.25009024559388 0.48637696452557 32.065 > 63 64 S 0.11888814667814 0.75009024559388 0.48637696452557 32.065 > 63 65 S 0.12427044628490 0.38806402813819 0.25828019688471 32.065 > 65 66 S 0.12427044628490 0.88806402813819 0.25828019688471 32.065 > 65 67 S 0.37893655797468 0.34251307641578 0.26145665578402 32.065 > 67 68 S 0.37893655797468 0.84251307641578 0.26145665578402 32.065 > 67 69 S 0.38111185332186 0.49990975440612 0.51362303547443 32.065 > 69 70 S 0.38111185332186 0.99990975440612 0.51362303547443 32.065 > 69 71 S 0.37572955371510 0.36193597186181 0.74171980311529 32.065 > 71 72 S 0.37572955371510 0.86193597186181 0.74171980311529 32.065 > 71 73 S 0.38111185332186 0.00009024559388 0.01362303547443 32.065 > 49 74 S 0.38111185332186 0.50009024559388 0.01362303547443 32.065 > 49 75 S 0.62106344202532 0.34251307641578 0.23854334421598 32.065 > 51 76 S 0.62106344202532 0.84251307641578 0.23854334421598 32.065 > 51 77 S 0.11888814667814 0.24990975440612 0.98637696452557 32.065 > 53 78 S 0.11888814667814 0.74990975440612 0.98637696452557 32.065 > 53 79 S 0.12427044628490 0.11193597186181 0.75828019688471 32.065 > 55 80 S 0.12427044628490 0.61193597186181 0.75828019688471 32.065 > 55 81 S 0.87893655797468 0.40748692358422 0.76145665578402 32.065 > 57 82 S 0.87893655797468 0.90748692358422 0.76145665578402 32.065 > 57 83 S 0.62106344202532 0.15748692358422 0.73854334421598 32.065 > 59 84 S 0.62106344202532 0.65748692358422 0.73854334421598 32.065 > 59 85 S 0.37572955371510 0.13806402813819 0.24171980311529 32.065 > 61 86 S 0.37572955371510 0.63806402813819 0.24171980311529 32.065 > 61 87 S 0.61888814667814 0.00009024559388 0.48637696452557 32.065 > 63 88 S 0.61888814667814 0.50009024559388 0.48637696452557 32.065 > 63 89 S 0.62427044628490 0.13806402813819 0.25828019688471 32.065 > 65 90 S 0.62427044628490 0.63806402813819 0.25828019688471 32.065 > 65 91 S 0.87893655797468 0.09251307641578 0.26145665578402 32.065 > 67 92 S 0.87893655797468 0.59251307641578 0.26145665578402 32.065 > 67 93 S 0.88111185332186 0.24990975440612 0.51362303547443 32.065 > 69 94 S 0.88111185332186 0.74990975440612 0.51362303547443 32.065 > 69 95 S 0.87572955371510 0.11193597186181 0.74171980311529 32.065 > 71 96 S 0.87572955371510 0.61193597186181 0.74171980311529 32.065 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0114387 0.0000000 -0.7476717 0.0000000 10.4545037 0.0000000 -0.7476965 0.0000000 9.6177245 -------------------------- Born effective charges -------------------------- 1 Ba 3.2217836 0.0639670 -0.0597464 0.0918567 3.1574980 -0.0535139 0.0331126 0.2010693 3.0590360 2 Ba 3.2217836 -0.0639670 -0.0597464 -0.0918567 3.1574980 0.0535139 0.0331126 -0.2010693 3.0590360 3 Ba 3.2217836 0.0639670 -0.0597464 0.0918567 3.1574980 -0.0535139 0.0331126 0.2010693 3.0590360 4 Ba 3.2217836 -0.0639670 -0.0597464 -0.0918567 3.1574980 0.0535139 0.0331126 -0.2010693 3.0590360 5 V 2.0807630 0.0000000 -1.2129089 -0.0000000 1.2040482 0.0000000 -0.7791835 0.0000000 2.0107157 6 V 2.0807630 0.0000000 -1.2129089 -0.0000000 1.2040482 0.0000000 -0.7791835 0.0000000 2.0107157 7 Cu 0.2451020 0.1790976 -0.2112042 0.2782515 0.7861629 0.7117333 -0.0555336 0.3705382 0.5082872 8 Cu 0.2451020 -0.1790976 -0.2112042 -0.2782515 0.7861629 -0.7117333 -0.0555336 -0.3705382 0.5082872 9 Cu 0.8866042 0.0000000 -0.2325491 -0.0000000 0.1977733 0.0000000 -0.2605565 0.0000000 0.3191079 10 Cu 0.8866042 0.0000000 -0.2325491 -0.0000000 0.1977733 0.0000000 -0.2605565 0.0000000 0.3191079 11 Cu 0.2451020 0.1790976 -0.2112042 0.2782515 0.7861629 0.7117333 -0.0555336 0.3705382 0.5082872 12 Cu 0.2451020 -0.1790976 -0.2112042 -0.2782515 0.7861629 -0.7117333 -0.0555336 -0.3705382 0.5082872 13 S -0.3829804 0.4416237 0.8085461 -0.1366473 -0.8664189 -0.8625405 -0.1331719 -0.4431376 -1.9241786 14 S -2.4735073 0.0976002 0.2185444 0.1647245 -2.5057947 0.3451382 0.1885685 0.2483885 -2.1130673 15 S -0.3829804 0.4416237 0.8085461 -0.1366473 -0.8664189 -0.8625405 -0.1331719 -0.4431376 -1.9241786 16 S -2.0940816 1.0368479 -0.0334108 1.2746790 -1.2723582 0.2288389 0.4868944 -0.1522224 -0.6949890 17 S -2.4735073 0.0976002 0.2185444 0.1647245 -2.5057947 0.3451382 0.1885685 0.2483885 -2.1130673 18 S -2.4735073 -0.0976002 0.2185444 -0.1647245 -2.5057947 -0.3451382 0.1885685 -0.2483885 -2.1130673 19 S -2.0940816 1.0368479 -0.0334108 1.2746790 -1.2723582 0.2288389 0.4868944 -0.1522224 -0.6949890 20 S -0.3829804 -0.4416237 0.8085461 0.1366473 -0.8664189 0.8625405 -0.1331719 0.4431376 -1.9241786 21 S -2.0940816 -1.0368479 -0.0334108 -1.2746790 -1.2723582 -0.2288389 0.4868944 0.1522224 -0.6949890 22 S -2.4735073 -0.0976002 0.2185444 -0.1647245 -2.5057947 -0.3451382 0.1885685 -0.2483885 -2.1130673 23 S -0.3829804 -0.4416237 0.8085461 0.1366473 -0.8664189 0.8625405 -0.1331719 0.4431376 -1.9241786 24 S -2.0940816 -1.0368479 -0.0334108 -1.2746790 -1.2723582 -0.2288389 0.4868944 0.1522224 -0.6949890 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:57:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:57:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.450051511807944 -4.403730895000000 0.000000000000000 b 7.450051511807944 4.403730895000000 0.000000000000000 c -7.340449464064632 0.000000000000000 7.623203177531655 Atomic positions (fractional): 1 Ba 0.21276717421835 0.14684752728021 0.05548042089221 137.327 2 Ba 0.85315247271979 0.78723282578165 0.44451957910779 137.327 3 Ba 0.78723282578165 0.85315247271979 0.94451957910779 137.327 4 Ba 0.14684752728021 0.21276717421835 0.55548042089221 137.327 5 V 0.35941034535505 0.64058965464495 0.25000000000000 50.941 6 V 0.64058965464495 0.35941034535505 0.75000000000000 50.941 7 Cu 0.34737003080222 0.66803385049509 0.50616691478418 63.546 8 Cu 0.66803385049509 0.34737003080222 0.00616691478418 63.546 9 Cu 0.33568292102043 0.66431707897957 0.75000000000000 63.546 10 Cu 0.66431707897957 0.33568292102043 0.25000000000000 63.546 11 Cu 0.65262996919778 0.33196614950491 0.49383308521582 63.546 12 Cu 0.33196614950491 0.65262996919778 0.99383308521582 63.546 13 S 0.38093136213410 0.38129234450961 0.01362303547443 32.065 14 S 0.93603728919375 0.30608959485689 0.23854334421598 32.065 15 S 0.61906863786590 0.61870765549039 0.98637696452557 32.065 16 S 0.90039850256128 0.34814239000852 0.75828019688471 32.065 17 S 0.06396271080625 0.69391040514312 0.76145665578402 32.065 18 S 0.30608959485689 0.93603728919375 0.73854334421598 32.065 19 S 0.09960149743872 0.65185760999148 0.24171980311529 32.065 20 S 0.61870765549039 0.61906863786590 0.48637696452557 32.065 21 S 0.34814239000852 0.90039850256128 0.25828019688471 32.065 22 S 0.69391040514312 0.06396271080625 0.26145665578402 32.065 23 S 0.38129234450961 0.38093136213410 0.51362303547443 32.065 24 S 0.65185760999148 0.09960149743872 0.74171980311529 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.900103023615888 0.000000000000000 0.000000000000000 b 0.000000000000000 17.614923579999999 0.000000000000000 c -7.340449464064632 0.000000000000000 7.623203177531655 Atomic positions (fractional): 1 Ba 0.67980735074928 0.23352008826547 0.05548042089221 137.327 > 1 2 Ba 0.67980735074928 0.73352008826547 0.05548042089221 137.327 > 1 3 Ba 0.32019264925072 0.23352008826547 0.44451957910779 137.327 > 3 4 Ba 0.32019264925072 0.73352008826547 0.44451957910779 137.327 > 3 5 Ba 0.82019264925072 0.01647991173453 0.94451957910779 137.327 > 5 6 Ba 0.82019264925072 0.51647991173453 0.94451957910779 137.327 > 5 7 Ba 0.17980735074928 0.01647991173453 0.55548042089221 137.327 > 7 8 Ba 0.17980735074928 0.51647991173453 0.55548042089221 137.327 > 7 9 Ba 0.17980735074928 0.48352008826547 0.05548042089221 137.327 > 1 10 Ba 0.17980735074928 0.98352008826547 0.05548042089221 137.327 > 1 11 Ba 0.82019264925072 0.48352008826547 0.44451957910779 137.327 > 3 12 Ba 0.82019264925072 0.98352008826547 0.44451957910779 137.327 > 3 13 Ba 0.32019264925072 0.26647991173453 0.94451957910779 137.327 > 5 14 Ba 0.32019264925072 0.76647991173453 0.94451957910779 137.327 > 5 15 Ba 0.67980735074928 0.26647991173453 0.55548042089221 137.327 > 7 16 Ba 0.67980735074928 0.76647991173453 0.55548042089221 137.327 > 7 17 V 0.00000000000000 0.32029482732247 0.25000000000000 50.941 > 17 18 V 0.00000000000000 0.82029482732247 0.25000000000000 50.941 > 17 19 V 0.50000000000000 0.42970517267753 0.75000000000000 50.941 > 19 20 V 0.50000000000000 0.92970517267753 0.75000000000000 50.941 > 19 21 V 0.50000000000000 0.07029482732247 0.25000000000000 50.941 > 17 22 V 0.50000000000000 0.57029482732247 0.25000000000000 50.941 > 17 23 V 0.00000000000000 0.17970517267753 0.75000000000000 50.941 > 19 24 V 0.00000000000000 0.67970517267753 0.75000000000000 50.941 > 19 25 Cu 0.00770194064865 0.33016595492322 0.50616691478418 63.546 > 25 26 Cu 0.00770194064865 0.83016595492322 0.50616691478418 63.546 > 25 27 Cu 0.00770194064865 0.16983404507678 0.00616691478418 63.546 > 27 28 Cu 0.00770194064865 0.66983404507678 0.00616691478418 63.546 > 27 29 Cu 0.50000000000000 0.08215853948979 0.75000000000000 63.546 > 29 30 Cu 0.50000000000000 0.58215853948979 0.75000000000000 63.546 > 29 31 Cu 0.00000000000000 0.16784146051021 0.25000000000000 63.546 > 31 32 Cu 0.00000000000000 0.66784146051021 0.25000000000000 63.546 > 31 33 Cu 0.49229805935135 0.41983404507678 0.49383308521582 63.546 > 33 34 Cu 0.49229805935135 0.91983404507678 0.49383308521582 63.546 > 33 35 Cu 0.49229805935135 0.08016595492322 0.99383308521582 63.546 > 35 36 Cu 0.49229805935135 0.58016595492322 0.99383308521582 63.546 > 35 37 Cu 0.50770194064865 0.08016595492322 0.50616691478418 63.546 > 25 38 Cu 0.50770194064865 0.58016595492322 0.50616691478418 63.546 > 25 39 Cu 0.50770194064865 0.41983404507678 0.00616691478418 63.546 > 27 40 Cu 0.50770194064865 0.91983404507678 0.00616691478418 63.546 > 27 41 Cu 0.00000000000000 0.33215853948979 0.75000000000000 63.546 > 29 42 Cu 0.00000000000000 0.83215853948979 0.75000000000000 63.546 > 29 43 Cu 0.50000000000000 0.41784146051021 0.25000000000000 63.546 > 31 44 Cu 0.50000000000000 0.91784146051021 0.25000000000000 63.546 > 31 45 Cu 0.99229805935135 0.16983404507678 0.49383308521582 63.546 > 33 46 Cu 0.99229805935135 0.66983404507678 0.49383308521582 63.546 > 33 47 Cu 0.99229805935135 0.33016595492322 0.99383308521582 63.546 > 35 48 Cu 0.99229805935135 0.83016595492322 0.99383308521582 63.546 > 35 49 S 0.88111185332186 0.25009024559388 0.01362303547443 32.065 > 49 50 S 0.88111185332186 0.75009024559388 0.01362303547443 32.065 > 49 51 S 0.12106344202532 0.09251307641578 0.23854334421598 32.065 > 51 52 S 0.12106344202532 0.59251307641578 0.23854334421598 32.065 > 51 53 S 0.61888814667814 0.49990975440612 0.98637696452557 32.065 > 53 54 S 0.61888814667814 0.99990975440612 0.98637696452557 32.065 > 53 55 S 0.62427044628490 0.36193597186181 0.75828019688471 32.065 > 55 56 S 0.62427044628490 0.86193597186181 0.75828019688471 32.065 > 55 57 S 0.37893655797468 0.15748692358422 0.76145665578402 32.065 > 57 58 S 0.37893655797468 0.65748692358422 0.76145665578402 32.065 > 57 59 S 0.12106344202532 0.40748692358422 0.73854334421598 32.065 > 59 60 S 0.12106344202532 0.90748692358422 0.73854334421598 32.065 > 59 61 S 0.87572955371510 0.38806402813819 0.24171980311529 32.065 > 61 62 S 0.87572955371510 0.88806402813819 0.24171980311529 32.065 > 61 63 S 0.11888814667814 0.25009024559388 0.48637696452557 32.065 > 63 64 S 0.11888814667814 0.75009024559388 0.48637696452557 32.065 > 63 65 S 0.12427044628490 0.38806402813819 0.25828019688471 32.065 > 65 66 S 0.12427044628490 0.88806402813819 0.25828019688471 32.065 > 65 67 S 0.37893655797468 0.34251307641578 0.26145665578402 32.065 > 67 68 S 0.37893655797468 0.84251307641578 0.26145665578402 32.065 > 67 69 S 0.38111185332186 0.49990975440612 0.51362303547443 32.065 > 69 70 S 0.38111185332186 0.99990975440612 0.51362303547443 32.065 > 69 71 S 0.37572955371510 0.36193597186181 0.74171980311529 32.065 > 71 72 S 0.37572955371510 0.86193597186181 0.74171980311529 32.065 > 71 73 S 0.38111185332186 0.00009024559388 0.01362303547443 32.065 > 49 74 S 0.38111185332186 0.50009024559388 0.01362303547443 32.065 > 49 75 S 0.62106344202532 0.34251307641578 0.23854334421598 32.065 > 51 76 S 0.62106344202532 0.84251307641578 0.23854334421598 32.065 > 51 77 S 0.11888814667814 0.24990975440612 0.98637696452557 32.065 > 53 78 S 0.11888814667814 0.74990975440612 0.98637696452557 32.065 > 53 79 S 0.12427044628490 0.11193597186181 0.75828019688471 32.065 > 55 80 S 0.12427044628490 0.61193597186181 0.75828019688471 32.065 > 55 81 S 0.87893655797468 0.40748692358422 0.76145665578402 32.065 > 57 82 S 0.87893655797468 0.90748692358422 0.76145665578402 32.065 > 57 83 S 0.62106344202532 0.15748692358422 0.73854334421598 32.065 > 59 84 S 0.62106344202532 0.65748692358422 0.73854334421598 32.065 > 59 85 S 0.37572955371510 0.13806402813819 0.24171980311529 32.065 > 61 86 S 0.37572955371510 0.63806402813819 0.24171980311529 32.065 > 61 87 S 0.61888814667814 0.00009024559388 0.48637696452557 32.065 > 63 88 S 0.61888814667814 0.50009024559388 0.48637696452557 32.065 > 63 89 S 0.62427044628490 0.13806402813819 0.25828019688471 32.065 > 65 90 S 0.62427044628490 0.63806402813819 0.25828019688471 32.065 > 65 91 S 0.87893655797468 0.09251307641578 0.26145665578402 32.065 > 67 92 S 0.87893655797468 0.59251307641578 0.26145665578402 32.065 > 67 93 S 0.88111185332186 0.24990975440612 0.51362303547443 32.065 > 69 94 S 0.88111185332186 0.74990975440612 0.51362303547443 32.065 > 69 95 S 0.87572955371510 0.11193597186181 0.74171980311529 32.065 > 71 96 S 0.87572955371510 0.61193597186181 0.74171980311529 32.065 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.0114387 0.0000000 -0.7476717 0.0000000 10.4545037 0.0000000 -0.7476965 0.0000000 9.6177245 -------------------------- Born effective charges -------------------------- 1 Ba 3.2217836 0.0639670 -0.0597464 0.0918567 3.1574980 -0.0535139 0.0331126 0.2010693 3.0590360 2 Ba 3.2217836 -0.0639670 -0.0597464 -0.0918567 3.1574980 0.0535139 0.0331126 -0.2010693 3.0590360 3 Ba 3.2217836 0.0639670 -0.0597464 0.0918567 3.1574980 -0.0535139 0.0331126 0.2010693 3.0590360 4 Ba 3.2217836 -0.0639670 -0.0597464 -0.0918567 3.1574980 0.0535139 0.0331126 -0.2010693 3.0590360 5 V 2.0807630 0.0000000 -1.2129089 -0.0000000 1.2040482 0.0000000 -0.7791835 0.0000000 2.0107157 6 V 2.0807630 0.0000000 -1.2129089 -0.0000000 1.2040482 0.0000000 -0.7791835 0.0000000 2.0107157 7 Cu 0.2451020 0.1790976 -0.2112042 0.2782515 0.7861629 0.7117333 -0.0555336 0.3705382 0.5082872 8 Cu 0.2451020 -0.1790976 -0.2112042 -0.2782515 0.7861629 -0.7117333 -0.0555336 -0.3705382 0.5082872 9 Cu 0.8866042 0.0000000 -0.2325491 -0.0000000 0.1977733 0.0000000 -0.2605565 0.0000000 0.3191079 10 Cu 0.8866042 0.0000000 -0.2325491 -0.0000000 0.1977733 0.0000000 -0.2605565 0.0000000 0.3191079 11 Cu 0.2451020 0.1790976 -0.2112042 0.2782515 0.7861629 0.7117333 -0.0555336 0.3705382 0.5082872 12 Cu 0.2451020 -0.1790976 -0.2112042 -0.2782515 0.7861629 -0.7117333 -0.0555336 -0.3705382 0.5082872 13 S -0.3829804 0.4416237 0.8085461 -0.1366473 -0.8664189 -0.8625405 -0.1331719 -0.4431376 -1.9241786 14 S -2.4735073 0.0976002 0.2185444 0.1647245 -2.5057947 0.3451382 0.1885685 0.2483885 -2.1130673 15 S -0.3829804 0.4416237 0.8085461 -0.1366473 -0.8664189 -0.8625405 -0.1331719 -0.4431376 -1.9241786 16 S -2.0940816 1.0368479 -0.0334108 1.2746790 -1.2723582 0.2288389 0.4868944 -0.1522224 -0.6949890 17 S -2.4735073 0.0976002 0.2185444 0.1647245 -2.5057947 0.3451382 0.1885685 0.2483885 -2.1130673 18 S -2.4735073 -0.0976002 0.2185444 -0.1647245 -2.5057947 -0.3451382 0.1885685 -0.2483885 -2.1130673 19 S -2.0940816 1.0368479 -0.0334108 1.2746790 -1.2723582 0.2288389 0.4868944 -0.1522224 -0.6949890 20 S -0.3829804 -0.4416237 0.8085461 0.1366473 -0.8664189 0.8625405 -0.1331719 0.4431376 -1.9241786 21 S -2.0940816 -1.0368479 -0.0334108 -1.2746790 -1.2723582 -0.2288389 0.4868944 0.1522224 -0.6949890 22 S -2.4735073 -0.0976002 0.2185444 -0.1647245 -2.5057947 -0.3451382 0.1885685 -0.2483885 -2.1130673 23 S -0.3829804 -0.4416237 0.8085461 0.1366473 -0.8664189 0.8625405 -0.1331719 0.4431376 -1.9241786 24 S -2.0940816 -1.0368479 -0.0334108 -1.2746790 -1.2723582 -0.2288389 0.4868944 0.1522224 -0.6949890 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 7 7 7 ] 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: 0.52, Number of G-points: 289, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.295 ( 0.000 0.000 0.000) 0.000 1.345 ( 0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.586 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.855 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.139 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.398 ( 0.000 0.000 0.000) 0.000 7.661 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 0.000) 0.000 8.084 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.522 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 9.707 ( 0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 9.883 ( 0.000 0.000 0.000) 0.000 11.853 ( 0.000 0.000 0.000) 0.000 11.965 ( 0.000 0.000 0.000) 0.000 13.469 ( 0.000 0.000 0.000) 0.000 13.588 ( 0.000 0.000 0.000) 0.000 14.027 ( 0.000 0.000 0.000) 0.000 14.207 ( 0.000 0.000 0.000) 0.000 14.714 ( 0.000 0.000 0.000) 0.000 14.752 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 8.368 -13.391 8.523) 17.944 0.456 ( 7.343 -18.586 7.632) 21.392 0.762 ( 13.863 -28.777 10.594) 33.653 1.291 ( 1.906 -1.353 -0.171) 2.344 1.347 ( -3.667 -0.617 -1.802) 4.133 1.498 ( -1.842 -0.471 -0.545) 1.977 1.522 ( -1.507 -5.208 1.982) 5.772 1.659 ( -0.201 -0.753 0.597) 0.982 1.708 ( 0.139 3.162 -0.560) 3.214 1.772 ( 6.299 -0.992 0.277) 6.383 1.803 ( -0.348 0.468 1.284) 1.410 1.875 ( 1.429 -3.112 1.022) 3.574 2.091 ( -3.470 2.027 -1.946) 4.465 2.148 ( 4.632 7.597 3.646) 9.616 2.262 ( 1.466 3.846 6.673) 7.840 2.356 ( 1.555 3.590 -2.934) 4.890 2.438 ( -1.325 3.040 -1.119) 3.501 2.490 ( 1.321 6.229 -2.107) 6.707 2.567 ( -1.693 2.246 -0.725) 2.904 2.640 ( -1.836 0.367 2.527) 3.145 2.663 ( 1.572 1.221 -1.142) 2.295 2.736 ( -1.435 -1.923 -1.054) 2.620 2.781 ( -2.166 -1.632 4.631) 5.367 2.866 ( 4.154 1.809 -0.650) 4.577 2.925 ( -2.403 -2.021 0.361) 3.161 2.958 ( 2.430 -1.690 -1.159) 3.179 3.087 ( -0.147 -1.609 -0.038) 1.616 3.190 ( -2.477 -2.194 -2.667) 4.251 3.312 ( 0.371 4.277 5.240) 6.774 3.443 ( 1.349 4.513 -1.853) 5.062 3.545 ( -0.877 2.600 -2.129) 3.473 3.693 ( 1.090 -0.235 0.005) 1.115 3.755 ( -1.014 -6.080 -0.840) 6.221 3.926 ( -0.397 -3.622 -4.117) 5.497 4.132 ( 0.540 3.261 -0.253) 3.315 4.308 ( -0.070 1.441 -0.331) 1.480 4.391 ( 0.388 0.300 -0.054) 0.493 4.501 ( -0.769 -4.366 -0.561) 4.468 4.720 ( 1.659 0.054 1.231) 2.067 4.984 ( -1.229 1.996 -0.515) 2.400 5.586 ( -0.210 -0.363 -0.255) 0.490 5.653 ( -2.347 -1.675 -1.039) 3.065 5.848 ( 2.833 2.137 -2.681) 4.447 6.283 ( 0.001 0.328 -0.061) 0.334 7.016 ( 2.620 3.025 -2.014) 4.481 7.109 ( 0.075 0.805 -0.906) 1.214 7.130 ( -0.401 -0.208 0.701) 0.834 7.179 ( 0.182 -3.353 -0.496) 3.395 7.330 ( -0.446 -1.184 2.320) 2.643 7.363 ( 1.765 0.487 -1.809) 2.574 7.403 ( 0.308 -0.006 0.776) 0.835 7.656 ( -0.289 0.106 0.015) 0.308 7.712 ( 0.153 -1.177 0.017) 1.187 7.922 ( -0.620 2.268 -1.239) 2.658 7.941 ( -0.503 2.506 0.580) 2.621 8.053 ( -0.143 -2.080 -0.304) 2.107 8.081 ( 0.220 0.486 -0.081) 0.540 8.379 ( 0.752 -0.412 0.224) 0.886 8.533 ( 0.505 -0.342 0.715) 0.940 8.538 ( -0.156 0.138 -0.148) 0.256 9.719 ( -0.147 -1.353 0.334) 1.401 9.834 ( -1.219 -3.105 -4.835) 5.874 9.849 ( -0.395 -0.160 -0.006) 0.426 9.966 ( -5.164 0.523 3.236) 6.117 11.859 ( 0.106 -0.253 0.831) 0.875 11.966 ( -0.713 -0.441 0.088) 0.843 13.469 ( -2.290 1.384 2.679) 3.787 13.596 ( 0.224 -0.673 0.109) 0.718 14.027 ( 0.545 0.455 0.270) 0.760 14.291 ( -5.186 -3.870 -2.068) 6.793 14.740 ( 3.736 1.383 -1.852) 4.394 14.768 ( 4.367 0.240 -2.049) 4.830 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 7.722 -9.075 7.738) 14.207 0.865 ( 6.309 -15.212 5.702) 17.428 1.259 ( 0.697 -9.056 -7.263) 11.629 1.288 ( -1.160 -3.498 2.776) 4.614 1.414 ( 1.326 -8.491 5.276) 10.084 1.509 ( 1.976 -2.878 0.804) 3.583 1.583 ( -1.742 -1.133 0.508) 2.140 1.660 ( -0.730 1.911 1.057) 2.302 1.697 ( -0.769 -1.815 2.207) 2.960 1.817 ( 0.521 -1.895 0.380) 2.002 1.867 ( 7.043 -2.682 0.490) 7.552 1.924 ( -1.268 1.160 3.221) 3.651 2.038 ( 3.417 0.997 -1.628) 3.915 2.099 ( 0.721 1.270 -3.577) 3.863 2.218 ( -2.860 3.197 1.712) 4.618 2.299 ( -1.571 2.165 -2.400) 3.593 2.367 ( 1.295 5.483 -1.300) 5.782 2.398 ( 2.970 2.878 0.718) 4.197 2.495 ( -2.235 3.104 -1.669) 4.173 2.616 ( -1.104 3.378 1.184) 3.746 2.648 ( 0.295 -0.515 -1.953) 2.042 2.725 ( 1.271 3.580 2.711) 4.667 2.809 ( -1.490 -1.136 0.811) 2.042 2.863 ( -1.233 0.259 0.020) 1.260 2.967 ( -1.122 -2.362 1.727) 3.134 2.996 ( 1.154 -3.284 -1.860) 3.946 3.115 ( -1.059 -1.995 0.465) 2.306 3.162 ( -2.072 1.215 -0.687) 2.498 3.294 ( 0.683 2.348 1.837) 3.058 3.374 ( 0.002 3.029 -0.526) 3.074 3.477 ( -1.004 1.136 -3.056) 3.412 3.710 ( 1.990 0.218 0.413) 2.044 3.820 ( -0.048 -3.733 -3.042) 4.816 3.919 ( -2.439 0.862 1.621) 3.053 4.121 ( 1.009 -1.943 -0.710) 2.301 4.267 ( 1.334 3.181 -0.551) 3.493 4.406 ( 0.712 -0.057 1.099) 1.311 4.541 ( -0.767 -2.198 -1.007) 2.536 4.755 ( 1.200 -0.790 1.736) 2.253 4.925 ( -1.647 2.523 -0.518) 3.057 5.591 ( -0.126 -0.668 -0.289) 0.739 5.642 ( -1.443 -0.104 -0.395) 1.500 5.809 ( 1.326 2.110 -1.902) 3.135 6.274 ( -0.018 0.546 -0.096) 0.555 6.986 ( 1.444 1.245 -1.267) 2.289 7.068 ( -0.771 1.579 -1.148) 2.099 7.139 ( -0.216 -0.248 0.691) 0.765 7.243 ( 0.114 -4.499 -0.870) 4.584 7.351 ( -1.712 -0.044 1.510) 2.283 7.372 ( 1.690 -0.368 -0.100) 1.732 7.422 ( 1.574 -0.407 0.997) 1.907 7.658 ( -0.191 -0.446 0.279) 0.560 7.729 ( -0.103 -0.695 -0.127) 0.714 7.858 ( -0.903 2.559 -1.334) 3.023 7.905 ( -0.141 2.277 0.955) 2.474 8.072 ( 0.007 0.072 -0.746) 0.750 8.079 ( 0.197 -0.843 0.153) 0.879 8.392 ( 0.580 -0.111 -0.149) 0.609 8.525 ( -0.543 0.362 -0.255) 0.700 8.558 ( 0.764 -0.496 0.825) 1.228 9.750 ( -0.244 -2.102 0.423) 2.158 9.827 ( -0.217 -0.580 -1.683) 1.793 9.848 ( -0.475 -0.105 0.114) 0.500 9.928 ( -2.223 1.668 0.318) 2.797 11.879 ( 0.487 -0.486 1.352) 1.517 11.965 ( -1.141 -0.420 -0.139) 1.224 13.447 ( -1.159 0.914 0.453) 1.544 13.612 ( 0.258 -0.823 0.098) 0.868 14.028 ( 0.710 0.518 0.380) 0.957 14.282 ( -2.472 -1.290 -0.949) 2.945 14.741 ( 1.481 0.263 -0.469) 1.576 14.785 ( 2.256 -0.077 -0.924) 2.439 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 4.287 -2.497 3.948) 6.341 1.130 ( 3.019 -6.114 1.945) 7.091 1.205 ( -4.079 -1.051 -2.241) 4.771 1.422 ( 3.538 -6.561 -3.382) 8.186 1.512 ( -1.223 -1.981 1.979) 3.056 1.556 ( 3.780 2.454 -0.711) 4.562 1.597 ( -3.632 -2.030 2.005) 4.618 1.657 ( -2.607 1.951 1.087) 3.433 1.714 ( -1.756 -2.586 5.838) 6.622 1.830 ( -2.433 4.678 -1.303) 5.431 1.863 ( 4.442 -0.245 -3.348) 5.568 1.994 ( 4.068 1.053 -2.331) 4.805 2.039 ( -4.352 2.029 1.792) 5.125 2.119 ( 4.304 -7.528 1.485) 8.798 2.235 ( 0.677 -4.397 0.988) 4.557 2.253 ( 0.824 -0.791 -2.165) 2.448 2.289 ( 1.523 3.633 -1.929) 4.386 2.385 ( -3.311 5.321 -1.218) 6.385 2.416 ( 0.890 0.598 1.465) 1.815 2.560 ( -0.952 2.514 1.127) 2.915 2.647 ( -0.179 -0.704 -0.955) 1.200 2.698 ( 1.331 2.887 1.117) 3.370 2.823 ( -2.193 -1.467 1.588) 3.079 2.842 ( 0.553 1.067 -1.038) 1.588 2.983 ( 0.229 -0.086 -0.181) 0.304 3.047 ( -0.382 -2.841 -0.483) 2.907 3.106 ( -1.129 2.008 0.204) 2.313 3.146 ( -0.176 -1.416 -0.150) 1.435 3.279 ( -0.189 1.082 0.255) 1.128 3.339 ( -0.016 0.925 0.200) 0.947 3.444 ( -0.267 -0.104 -1.171) 1.205 3.736 ( 1.774 -0.236 1.464) 2.312 3.795 ( -0.625 1.456 -2.871) 3.279 3.923 ( -1.323 -1.030 1.326) 2.137 4.172 ( -0.583 -3.695 -0.313) 3.754 4.226 ( 1.860 3.239 -0.254) 3.744 4.420 ( 0.449 0.128 0.720) 0.858 4.544 ( -0.527 -0.411 -0.775) 1.024 4.793 ( 0.710 -0.742 1.090) 1.498 4.873 ( -1.008 1.386 -0.396) 1.758 5.598 ( 0.081 -0.417 -0.168) 0.457 5.626 ( -0.706 0.257 -0.141) 0.764 5.780 ( 0.476 0.850 -0.699) 1.200 6.266 ( -0.015 0.286 -0.053) 0.291 6.975 ( 0.482 0.289 -0.454) 0.723 7.036 ( -0.344 0.667 -0.453) 0.876 7.146 ( -0.010 -0.116 0.237) 0.264 7.297 ( -0.100 -2.408 -0.346) 2.434 7.351 ( 0.150 -0.565 -0.527) 0.787 7.376 ( -0.354 1.049 1.223) 1.650 7.455 ( 1.091 -0.526 0.507) 1.313 7.670 ( -0.009 -0.610 0.279) 0.671 7.725 ( -0.273 0.434 -0.262) 0.575 7.813 ( -0.424 0.868 -0.536) 1.105 7.887 ( 0.111 0.844 0.493) 0.984 8.064 ( 0.073 0.249 -0.216) 0.338 8.090 ( 0.004 -0.408 -0.103) 0.421 8.392 ( 0.160 0.099 -0.176) 0.258 8.514 ( -0.276 0.179 -0.120) 0.350 8.575 ( 0.301 -0.203 0.329) 0.490 9.783 ( -0.267 -1.423 0.169) 1.458 9.820 ( 0.242 0.086 -0.461) 0.528 9.850 ( 0.012 -0.293 0.504) 0.583 9.883 ( -1.044 1.466 -0.548) 1.881 11.903 ( 0.518 -0.297 0.873) 1.057 11.957 ( -0.781 -0.127 -0.317) 0.852 13.431 ( -0.377 0.330 0.013) 0.501 13.625 ( 0.108 -0.362 0.030) 0.379 14.031 ( 0.340 0.208 0.195) 0.444 14.271 ( -0.860 -0.288 -0.345) 0.970 14.747 ( 0.483 -0.015 -0.083) 0.490 14.795 ( 0.741 -0.033 -0.281) 0.793 ======================= Grid point 8 (5/100) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 12.451 0.000 13.311) 18.226 0.513 ( 12.960 0.000 10.883) 16.924 0.882 ( 23.390 0.000 19.731) 30.600 1.251 ( -2.050 -0.000 -2.830) 3.495 1.326 ( -2.088 -0.000 0.804) 2.238 1.484 ( -2.264 -0.000 1.774) 2.876 1.491 ( 2.136 0.000 3.144) 3.801 1.647 ( -0.322 -0.000 -0.287) 0.431 1.757 ( 0.815 0.000 -2.130) 2.281 1.825 ( 7.253 0.000 -0.408) 7.264 1.830 ( 1.871 0.000 0.520) 1.942 1.871 ( 3.159 0.000 1.089) 3.342 2.013 ( -7.689 -0.000 -2.318) 8.031 2.202 ( -3.416 -0.000 -0.417) 3.441 2.379 ( 2.248 0.000 -0.536) 2.311 2.434 ( -3.118 -0.000 -1.162) 3.327 2.463 ( 0.846 0.000 -0.132) 0.857 2.544 ( 2.565 0.000 -7.096) 7.545 2.559 ( -1.369 -0.000 -0.013) 1.369 2.607 ( 2.257 0.000 -9.053) 9.330 2.626 ( -7.405 -0.000 5.479) 9.212 2.703 ( -4.831 -0.000 5.188) 7.089 2.738 ( -9.269 -0.000 8.010) 12.251 2.879 ( -1.473 -0.000 -2.404) 2.819 2.926 ( 1.878 0.000 2.156) 2.859 3.004 ( 6.961 0.000 -7.393) 10.155 3.066 ( -1.624 -0.000 0.947) 1.880 3.110 ( 1.040 0.000 -1.031) 1.465 3.379 ( -4.082 -0.000 3.163) 5.164 3.419 ( -1.430 -0.000 -5.002) 5.203 3.642 ( -2.137 -0.000 1.144) 2.424 3.684 ( 1.463 0.000 -1.508) 2.102 3.695 ( -0.740 -0.000 1.425) 1.606 3.825 ( 9.655 0.000 -6.607) 11.699 4.178 ( 0.574 0.000 0.621) 0.846 4.327 ( -0.321 -0.000 1.872) 1.899 4.390 ( 0.373 0.000 -0.298) 0.477 4.469 ( 1.834 0.000 1.222) 2.204 4.754 ( 1.802 0.000 1.447) 2.311 4.973 ( -2.308 -0.000 -1.334) 2.666 5.577 ( -0.526 -0.000 -0.275) 0.594 5.622 ( 0.656 0.000 0.260) 0.705 5.862 ( 2.710 0.000 -4.415) 5.180 6.272 ( -0.318 -0.000 -0.991) 1.041 7.033 ( -0.781 -0.000 -1.605) 1.785 7.109 ( 3.855 0.000 -4.867) 6.209 7.116 ( -0.945 -0.000 -1.226) 1.548 7.150 ( -2.466 -0.000 1.709) 3.001 7.347 ( -1.893 -0.000 4.336) 4.731 7.368 ( 4.015 0.000 -3.280) 5.184 7.416 ( 0.326 0.000 1.524) 1.559 7.649 ( -0.510 -0.000 -0.708) 0.872 7.709 ( 0.335 0.000 0.997) 1.052 7.918 ( -1.814 -0.000 -1.257) 2.207 7.974 ( 0.828 0.000 -0.056) 0.829 8.018 ( -0.812 -0.000 -0.316) 0.871 8.089 ( 0.646 0.000 -0.091) 0.652 8.390 ( 1.330 0.000 0.176) 1.342 8.532 ( -0.699 -0.000 -0.397) 0.804 8.550 ( 1.233 0.000 1.446) 1.901 9.708 ( 0.245 0.000 0.018) 0.246 9.753 ( 0.130 0.000 0.809) 0.820 9.846 ( -0.469 -0.000 -0.011) 0.469 9.957 ( -4.002 -0.000 2.900) 4.943 11.869 ( 0.160 0.000 1.545) 1.554 11.955 ( -1.251 -0.000 0.327) 1.293 13.474 ( -4.603 -0.000 2.152) 5.081 13.595 ( 0.436 0.000 0.297) 0.527 14.045 ( 0.809 0.000 0.800) 1.138 14.206 ( -0.116 -0.000 -0.065) 0.133 14.760 ( 1.012 0.000 -0.039) 1.013 14.795 ( 6.286 0.000 -6.010) 8.697 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 10.106 -8.819 8.180) 15.710 0.815 ( 9.709 -8.553 9.750) 16.201 1.144 ( 1.024 2.355 0.207) 2.576 1.321 ( 4.922 1.080 3.204) 5.971 1.352 ( 1.320 -7.769 9.841) 12.607 1.493 ( 1.419 -0.887 0.408) 1.722 1.584 ( 3.505 -2.444 4.267) 6.039 1.664 ( 1.227 -1.698 -0.908) 2.284 1.713 ( -1.222 2.169 0.639) 2.570 1.826 ( 2.991 0.939 -0.194) 3.141 1.902 ( 6.065 -1.361 -0.607) 6.246 1.935 ( -4.287 -3.004 -4.028) 6.605 1.966 ( 3.961 -2.224 2.439) 5.156 2.132 ( -2.834 2.588 -1.496) 4.118 2.294 ( -5.840 7.113 -0.117) 9.204 2.349 ( 3.976 6.658 -4.245) 8.841 2.413 ( -2.304 0.336 -2.510) 3.424 2.467 ( -2.782 3.753 1.143) 4.810 2.511 ( 1.903 3.618 -3.593) 5.442 2.596 ( 0.188 -2.450 -2.820) 3.740 2.610 ( -4.671 -1.428 0.632) 4.925 2.700 ( -3.830 -2.551 1.952) 4.999 2.815 ( -4.472 -5.032 4.773) 8.252 2.847 ( -1.476 0.104 -1.201) 1.906 2.946 ( 2.378 2.325 -1.285) 3.565 2.982 ( 1.896 -0.153 -0.425) 1.949 3.081 ( -0.736 -1.651 0.389) 1.849 3.126 ( -0.992 -1.516 -1.068) 2.104 3.355 ( -1.834 1.861 1.379) 2.954 3.370 ( -0.891 -1.130 -4.872) 5.080 3.521 ( 0.066 7.742 0.362) 7.751 3.708 ( 1.849 -2.131 -2.063) 3.495 3.750 ( -0.723 -3.041 2.052) 3.739 3.884 ( 2.655 -2.431 -3.230) 4.837 4.155 ( 1.085 3.276 0.629) 3.508 4.321 ( 0.132 2.114 1.345) 2.509 4.419 ( 1.172 -1.836 0.831) 2.331 4.507 ( 1.196 -0.544 0.713) 1.495 4.787 ( 1.715 0.246 2.324) 2.899 4.925 ( -2.667 1.092 -1.465) 3.233 5.575 ( -0.455 -0.602 -0.111) 0.763 5.632 ( 0.174 -0.047 0.005) 0.180 5.829 ( 1.463 1.599 -3.383) 4.017 6.265 ( -0.415 -0.540 -1.062) 1.261 6.996 ( 0.096 1.111 -2.090) 2.369 7.078 ( -0.690 1.465 -1.230) 2.034 7.121 ( -0.355 -1.505 -0.747) 1.718 7.168 ( -0.334 -3.217 -0.496) 3.272 7.349 ( -1.483 0.103 1.083) 1.839 7.398 ( 2.757 0.301 1.120) 2.991 7.441 ( 1.061 -0.433 1.676) 2.030 7.641 ( -0.672 -0.661 -0.568) 1.100 7.724 ( 0.236 -0.256 0.773) 0.848 7.869 ( -1.860 1.795 -1.469) 2.973 7.952 ( 0.303 2.298 0.488) 2.369 8.031 ( -0.506 -1.833 -1.159) 2.227 8.094 ( 0.919 0.275 0.250) 0.992 8.401 ( 1.220 0.268 -0.212) 1.267 8.519 ( -0.901 0.086 -0.354) 0.972 8.577 ( 1.270 0.106 1.418) 1.907 9.725 ( -0.065 -1.352 0.534) 1.455 9.783 ( -0.080 -2.174 -0.353) 2.203 9.841 ( -0.580 -0.161 -0.096) 0.609 9.935 ( -2.304 1.163 0.858) 2.720 11.890 ( 0.245 -0.323 1.807) 1.852 11.948 ( -1.405 -0.252 0.348) 1.469 13.443 ( -2.504 0.428 0.062) 2.541 13.607 ( 0.512 -0.470 0.342) 0.774 14.053 ( 0.923 0.825 0.623) 1.386 14.224 ( -1.044 -2.087 -0.410) 2.369 14.764 ( 1.730 0.834 -0.211) 1.932 14.799 ( 3.112 0.151 -2.183) 3.805 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -4.130 -1.466 1.725) 4.709 1.090 ( 5.057 -4.109 -0.986) 6.590 1.099 ( 8.980 -6.254 8.371) 13.778 1.380 ( 6.178 -0.354 0.870) 6.249 1.493 ( -3.067 -2.650 7.841) 8.827 1.547 ( 0.620 -2.599 1.618) 3.124 1.640 ( 3.248 1.905 -1.293) 3.982 1.670 ( -1.399 1.923 0.723) 2.486 1.705 ( -1.881 -1.642 2.879) 3.810 1.861 ( -1.449 2.243 1.853) 3.250 1.875 ( 3.752 1.018 -4.998) 6.332 1.973 ( 0.220 -1.868 -3.078) 3.607 2.082 ( 4.555 -2.438 0.207) 5.171 2.103 ( -1.461 5.477 -0.823) 5.728 2.159 ( 1.969 -6.262 2.909) 7.180 2.260 ( 1.396 2.387 -3.388) 4.373 2.328 ( -1.977 3.075 -2.068) 4.200 2.430 ( 0.040 3.542 -3.104) 4.709 2.438 ( -2.177 1.066 1.893) 3.076 2.579 ( -4.473 0.934 2.246) 5.092 2.603 ( -1.518 -1.249 -1.815) 2.676 2.718 ( -1.831 -1.240 -0.964) 2.413 2.823 ( -0.554 0.963 1.059) 1.535 2.852 ( -1.644 0.676 1.760) 2.502 2.958 ( -0.076 -4.932 -2.584) 5.568 2.991 ( 0.928 0.429 -0.074) 1.026 3.108 ( -0.692 -1.498 0.843) 1.853 3.121 ( -0.120 -0.362 -1.009) 1.078 3.296 ( -1.231 1.762 -1.805) 2.806 3.356 ( -0.411 0.510 -0.629) 0.908 3.450 ( 1.323 2.355 0.895) 2.845 3.738 ( 1.030 -2.135 -2.045) 3.131 3.794 ( 0.389 0.395 0.895) 1.052 3.892 ( -1.068 -1.369 -0.660) 1.857 4.140 ( 1.012 0.128 0.380) 1.088 4.297 ( 1.123 2.835 0.758) 3.142 4.461 ( 1.989 0.966 1.867) 2.894 4.517 ( -0.231 -0.839 -0.432) 0.972 4.817 ( 1.221 0.541 1.950) 2.364 4.870 ( -2.092 0.930 -1.128) 2.552 5.586 ( -0.260 -0.978 0.283) 1.051 5.628 ( 0.253 0.405 -0.065) 0.482 5.788 ( 0.484 1.206 -2.174) 2.532 6.259 ( -0.448 -0.309 -0.869) 1.026 6.970 ( -0.020 0.176 -1.430) 1.441 7.045 ( -0.283 0.960 -0.355) 1.062 7.130 ( -0.861 -1.019 -0.409) 1.395 7.227 ( -0.080 -4.556 -0.759) 4.620 7.345 ( -0.359 -0.059 0.229) 0.430 7.415 ( 0.552 1.402 2.218) 2.681 7.472 ( 1.436 0.079 0.679) 1.590 7.648 ( -0.569 -1.379 -0.294) 1.521 7.729 ( -0.042 0.419 0.121) 0.439 7.815 ( -1.176 1.201 -0.963) 1.937 7.925 ( 0.388 2.206 0.708) 2.349 8.037 ( -0.341 -1.229 -1.782) 2.192 8.102 ( 0.538 0.293 0.838) 1.038 8.401 ( 0.792 0.527 -0.346) 1.012 8.509 ( -0.649 -0.140 -0.113) 0.674 8.592 ( 0.893 0.670 0.952) 1.468 9.756 ( -0.168 -1.776 0.660) 1.902 9.807 ( 0.038 -1.428 -0.472) 1.505 9.842 ( -0.207 -0.721 0.021) 0.751 9.895 ( -1.309 1.892 -0.017) 2.301 11.907 ( -0.536 0.006 0.605) 0.809 11.949 ( -0.232 -0.533 0.881) 1.055 13.420 ( -1.263 -0.221 -0.511) 1.381 13.623 ( 0.414 -0.412 0.307) 0.660 14.047 ( 0.433 1.103 0.194) 1.201 14.243 ( -0.585 -1.772 -0.173) 1.874 14.765 ( 1.353 0.954 0.063) 1.657 14.804 ( 1.314 0.380 -0.724) 1.548 ======================= Grid point 11 (8/100) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -3.350 4.577 -0.554) 5.699 1.165 ( 0.850 0.931 -0.763) 1.474 1.310 ( 7.758 -1.503 4.346) 9.019 1.432 ( -1.073 -0.177 3.639) 3.798 1.544 ( -0.801 2.491 -1.565) 3.049 1.572 ( -1.842 3.425 3.162) 5.012 1.644 ( 1.769 -0.887 0.843) 2.151 1.645 ( 5.105 -1.516 0.645) 5.364 1.721 ( 0.586 3.809 -7.471) 8.407 1.783 ( -0.353 -3.254 2.770) 4.288 1.869 ( -2.232 1.573 1.867) 3.308 1.959 ( -0.983 0.738 -2.480) 2.768 2.035 ( -0.062 -2.394 3.301) 4.078 2.177 ( -3.024 0.908 0.742) 3.243 2.235 ( 1.396 -1.033 -1.735) 2.455 2.254 ( 0.432 0.016 -3.712) 3.737 2.289 ( 1.892 3.937 -1.028) 4.488 2.356 ( 2.783 -2.042 0.433) 3.479 2.414 ( -2.347 1.047 0.871) 2.713 2.528 ( -3.783 0.897 1.085) 4.037 2.604 ( -1.667 -2.157 -1.135) 2.953 2.677 ( -2.460 1.198 -1.141) 2.965 2.822 ( -1.060 -0.330 0.964) 1.470 2.848 ( 0.759 -0.004 0.322) 0.824 2.987 ( 0.796 -0.214 -0.595) 1.016 3.027 ( -0.145 -4.571 -1.198) 4.727 3.108 ( 0.910 0.685 -0.091) 1.143 3.148 ( 0.317 -1.557 0.084) 1.591 3.261 ( -0.279 -0.380 -0.929) 1.042 3.340 ( 0.145 0.905 -0.040) 0.917 3.458 ( 0.947 -0.013 1.065) 1.425 3.730 ( -1.066 1.677 -1.834) 2.705 3.792 ( 0.970 -0.849 1.250) 1.796 3.917 ( -0.328 -1.831 -0.191) 1.870 4.165 ( -0.400 -2.079 0.440) 2.162 4.259 ( 1.427 4.024 0.085) 4.271 4.443 ( 0.226 3.031 0.648) 3.108 4.548 ( 0.728 -1.699 0.931) 2.070 4.805 ( -0.473 1.834 -0.604) 1.988 4.859 ( 0.143 -0.944 0.396) 1.034 5.600 ( -0.291 -0.384 0.598) 0.768 5.633 ( 1.174 -0.279 0.113) 1.212 5.765 ( -0.427 -0.242 -0.828) 0.962 6.253 ( -0.418 -0.503 -0.632) 0.910 6.961 ( -0.508 -0.446 -0.595) 0.901 7.039 ( 0.373 -0.156 0.526) 0.663 7.130 ( -0.885 -0.719 -0.745) 1.362 7.285 ( -0.240 -3.016 -0.416) 3.054 7.349 ( 0.778 -0.469 -0.689) 1.140 7.404 ( -0.517 2.543 2.445) 3.565 7.464 ( 0.075 1.742 -0.742) 1.895 7.661 ( -0.480 -0.797 -0.481) 1.047 7.722 ( 0.096 -0.174 0.096) 0.221 7.800 ( -0.134 -0.860 -0.202) 0.893 7.899 ( 0.262 1.951 0.310) 1.992 8.038 ( -0.232 -1.221 -1.362) 1.844 8.109 ( 0.184 0.435 0.993) 1.100 8.398 ( 0.446 0.338 0.004) 0.560 8.511 ( -0.087 -0.491 0.108) 0.510 8.588 ( 0.346 1.263 0.353) 1.356 9.787 ( -0.014 -1.215 0.662) 1.384 9.824 ( 0.348 -0.768 -0.176) 0.861 9.848 ( -0.215 1.395 -0.648) 1.553 9.869 ( -0.139 -1.435 0.560) 1.547 11.894 ( -0.922 0.398 -0.547) 1.144 11.970 ( 0.677 -0.271 0.915) 1.170 13.417 ( -0.431 -0.895 -0.422) 1.079 13.631 ( 0.205 0.149 0.222) 0.336 14.032 ( -0.177 0.850 -0.172) 0.885 14.271 ( 0.543 -1.555 0.314) 1.677 14.758 ( 0.448 1.095 0.180) 1.197 14.798 ( 0.037 0.642 -0.157) 0.662 ======================= Grid point 12 (9/100) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -2.300 10.250 -1.030) 10.555 1.037 ( -1.891 13.125 -1.708) 13.370 1.368 ( 6.112 3.637 0.442) 7.125 1.431 ( -3.488 4.035 5.452) 7.627 1.492 ( 0.103 -0.277 -2.433) 2.451 1.519 ( -1.703 5.634 2.690) 6.472 1.580 ( 2.316 1.651 -7.154) 7.698 1.690 ( 3.459 1.218 1.423) 3.934 1.737 ( 2.305 0.030 2.083) 3.107 1.816 ( -4.429 0.183 1.292) 4.618 1.890 ( -4.702 9.550 -3.286) 11.140 1.906 ( 5.996 -3.227 -1.891) 7.067 1.964 ( -5.822 2.205 0.827) 6.281 2.127 ( 2.169 -1.599 2.218) 3.490 2.221 ( 0.024 1.966 -1.372) 2.398 2.267 ( -7.046 -0.775 -2.172) 7.414 2.296 ( 2.038 -3.528 -0.261) 4.083 2.341 ( 1.252 -0.922 2.054) 2.576 2.473 ( 1.187 -3.416 1.107) 3.782 2.542 ( 0.273 -4.542 -0.664) 4.599 2.610 ( -2.478 -2.341 -1.212) 3.618 2.652 ( -1.040 -0.803 -0.054) 1.315 2.832 ( 0.223 -1.217 -0.092) 1.240 2.863 ( 0.525 -0.064 0.442) 0.689 2.985 ( 0.661 0.715 -0.538) 1.112 3.061 ( 0.336 1.860 0.178) 1.898 3.127 ( 1.219 -2.987 -0.316) 3.242 3.152 ( -0.124 0.946 0.062) 0.957 3.279 ( 0.553 -0.448 -0.186) 0.736 3.332 ( -0.024 -1.140 -0.367) 1.198 3.483 ( 0.416 -1.194 1.154) 1.712 3.687 ( -0.910 0.370 -0.625) 1.164 3.847 ( -0.287 -3.240 2.018) 3.828 3.918 ( 1.159 1.309 -1.617) 2.382 4.192 ( 0.474 5.224 0.137) 5.247 4.207 ( -0.848 -3.282 0.662) 3.454 4.408 ( -0.153 1.420 -0.060) 1.429 4.580 ( 0.727 0.178 1.030) 1.273 4.761 ( -0.436 2.059 -0.797) 2.251 4.893 ( 0.498 -2.543 0.062) 2.592 5.602 ( -0.102 0.351 0.304) 0.475 5.658 ( 1.492 -0.653 0.269) 1.651 5.775 ( -0.873 -1.896 0.369) 2.119 6.257 ( -0.296 -0.897 -0.401) 1.027 6.962 ( -0.857 -0.747 0.029) 1.137 7.065 ( 0.779 -1.271 1.051) 1.824 7.125 ( -0.684 -0.516 -0.956) 1.284 7.299 ( -0.043 1.037 -0.043) 1.039 7.359 ( 1.022 0.248 -0.658) 1.240 7.380 ( -0.253 1.361 1.361) 1.941 7.414 ( -1.270 2.034 -1.038) 2.612 7.656 ( -0.244 0.028 -0.532) 0.586 7.738 ( 0.220 -0.508 0.323) 0.641 7.831 ( 0.330 -2.529 0.410) 2.583 7.879 ( 0.101 0.252 -0.274) 0.385 8.048 ( -0.218 -1.289 -0.581) 1.430 8.107 ( 0.085 0.966 0.630) 1.156 8.396 ( 0.071 0.392 0.140) 0.422 8.522 ( 0.192 -0.638 0.144) 0.682 8.566 ( -0.121 1.571 -0.126) 1.581 9.787 ( 0.175 2.143 0.056) 2.151 9.831 ( -0.135 -0.743 0.813) 1.110 9.842 ( 0.308 -1.050 -0.622) 1.259 9.911 ( 0.675 -2.319 0.350) 2.440 11.873 ( -0.449 0.528 -0.617) 0.928 11.982 ( 0.567 0.263 0.334) 0.709 13.431 ( 0.095 -1.254 -0.264) 1.285 13.625 ( 0.008 0.826 0.079) 0.830 14.018 ( -0.311 0.219 -0.198) 0.428 14.307 ( 1.240 -1.275 0.537) 1.858 14.742 ( -0.382 1.048 0.194) 1.132 14.783 ( -0.661 0.759 0.097) 1.011 ======================= Grid point 13 (10/100) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 0.000 15.782 -0.000) 15.782 0.731 ( 0.000 20.338 -0.000) 20.338 1.187 ( 0.000 30.327 -0.000) 30.327 1.321 ( 0.000 4.292 -0.000) 4.292 1.404 ( 0.000 2.127 -0.000) 2.127 1.497 ( -0.000 -1.711 0.000) 1.711 1.583 ( 0.000 0.749 -0.000) 0.749 1.661 ( 0.000 1.944 -0.000) 1.944 1.736 ( 0.000 1.173 -0.000) 1.173 1.751 ( 0.000 2.247 -0.000) 2.247 1.801 ( 0.000 0.593 -0.000) 0.593 1.919 ( 0.000 2.578 -0.000) 2.578 1.995 ( -0.000 -3.861 0.000) 3.861 2.109 ( 0.000 2.199 -0.000) 2.199 2.206 ( -0.000 -1.985 0.000) 1.985 2.278 ( -0.000 -5.019 0.000) 5.019 2.390 ( -0.000 -6.234 0.000) 6.234 2.407 ( -0.000 -3.523 0.000) 3.523 2.534 ( -0.000 -2.914 0.000) 2.914 2.608 ( -0.000 -1.011 0.000) 1.011 2.633 ( -0.000 -4.002 0.000) 4.002 2.675 ( -0.000 -3.359 0.000) 3.359 2.847 ( 0.000 2.766 -0.000) 2.766 2.857 ( -0.000 -0.499 0.000) 0.499 2.968 ( 0.000 1.343 -0.000) 1.343 2.999 ( 0.000 4.585 -0.000) 4.585 3.123 ( 0.000 2.157 -0.000) 2.157 3.194 ( -0.000 -3.550 0.000) 3.550 3.263 ( 0.000 1.111 -0.000) 1.111 3.378 ( -0.000 -3.716 0.000) 3.716 3.523 ( -0.000 -2.374 0.000) 2.374 3.685 ( -0.000 -0.523 0.000) 0.523 3.861 ( 0.000 4.953 -0.000) 4.953 3.925 ( -0.000 -4.013 0.000) 4.013 4.123 ( 0.000 2.698 -0.000) 2.698 4.266 ( -0.000 -3.768 0.000) 3.768 4.390 ( 0.000 0.634 -0.000) 0.634 4.567 ( 0.000 2.452 -0.000) 2.452 4.722 ( 0.000 1.672 -0.000) 1.672 4.946 ( -0.000 -3.265 0.000) 3.265 5.595 ( 0.000 0.477 -0.000) 0.477 5.677 ( -0.000 -0.399 0.000) 0.399 5.809 ( -0.000 -2.367 0.000) 2.367 6.268 ( -0.000 -0.928 0.000) 0.928 6.973 ( -0.000 -1.399 0.000) 1.399 7.103 ( -0.000 -1.728 0.000) 1.728 7.119 ( -0.000 -0.090 0.000) 0.090 7.251 ( 0.000 4.433 -0.000) 4.433 7.353 ( 0.000 2.431 -0.000) 2.431 7.356 ( -0.000 -0.225 0.000) 0.225 7.394 ( -0.000 -0.459 0.000) 0.459 7.653 ( -0.000 -0.174 0.000) 0.174 7.733 ( 0.000 1.227 -0.000) 1.227 7.886 ( -0.000 -3.200 0.000) 3.200 7.896 ( -0.000 -2.352 0.000) 2.352 8.063 ( -0.000 -0.850 0.000) 0.850 8.090 ( 0.000 1.430 -0.000) 1.430 8.387 ( 0.000 0.779 -0.000) 0.779 8.534 ( -0.000 -0.513 0.000) 0.513 8.540 ( 0.000 1.221 -0.000) 1.221 9.749 ( 0.000 2.267 -0.000) 2.267 9.846 ( -0.000 -0.405 0.000) 0.405 9.862 ( -0.000 -1.206 0.000) 1.206 9.955 ( -0.000 -2.197 0.000) 2.197 11.860 ( 0.000 0.410 -0.000) 0.410 11.979 ( 0.000 0.577 -0.000) 0.577 13.450 ( -0.000 -1.073 0.000) 1.073 13.609 ( 0.000 1.066 -0.000) 1.066 14.017 ( -0.000 -0.339 0.000) 0.339 14.338 ( -0.000 -0.989 0.000) 0.989 14.724 ( 0.000 0.750 -0.000) 0.750 14.766 ( 0.000 0.753 -0.000) 0.753 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 3.557 0.000 2.045) 4.103 0.931 ( 9.970 0.000 7.413) 12.424 1.231 ( -0.352 -0.000 6.144) 6.154 1.323 ( -0.900 -0.000 5.629) 5.700 1.514 ( 3.065 0.000 0.980) 3.217 1.528 ( 7.644 0.000 8.584) 11.494 1.633 ( 1.990 0.000 5.954) 6.277 1.662 ( 3.874 0.000 -1.449) 4.137 1.740 ( 1.565 0.000 1.457) 2.139 1.782 ( -2.739 -0.000 -5.445) 6.095 1.909 ( 7.258 0.000 0.118) 7.259 1.938 ( 4.383 0.000 -1.632) 4.677 2.008 ( 3.613 0.000 2.477) 4.381 2.095 ( -3.947 -0.000 -2.444) 4.642 2.293 ( -8.204 -0.000 -1.958) 8.434 2.308 ( -6.131 -0.000 -4.420) 7.558 2.428 ( -3.653 -0.000 -2.194) 4.261 2.465 ( 5.000 0.000 -3.198) 5.936 2.492 ( -3.085 -0.000 -3.285) 4.506 2.519 ( -2.143 -0.000 -2.113) 3.010 2.623 ( 1.466 0.000 1.488) 2.089 2.686 ( -1.507 -0.000 -0.926) 1.769 2.718 ( -6.082 -0.000 6.037) 8.570 2.826 ( -1.506 -0.000 0.156) 1.514 2.994 ( 1.829 0.000 -2.811) 3.354 2.997 ( 1.491 0.000 1.475) 2.097 3.055 ( -1.215 -0.000 0.905) 1.515 3.100 ( 0.236 0.000 -1.357) 1.378 3.300 ( -1.046 -0.000 -4.136) 4.267 3.361 ( -1.371 -0.000 0.379) 1.422 3.593 ( -2.063 -0.000 -0.842) 2.229 3.696 ( 0.870 0.000 -0.545) 1.026 3.709 ( -0.676 -0.000 1.755) 1.881 3.881 ( 4.655 0.000 -2.898) 5.483 4.203 ( 0.946 0.000 0.371) 1.016 4.359 ( -0.456 -0.000 2.234) 2.280 4.399 ( 0.497 0.000 0.280) 0.570 4.547 ( 2.846 0.000 1.848) 3.393 4.828 ( 1.658 0.000 2.450) 2.958 4.889 ( -2.844 -0.000 -1.886) 3.413 5.565 ( -0.502 -0.000 0.202) 0.541 5.638 ( 0.575 0.000 0.031) 0.576 5.822 ( 1.206 0.000 -3.710) 3.901 6.245 ( -0.306 -0.000 -1.069) 1.112 6.987 ( -0.389 -0.000 -1.724) 1.768 7.071 ( -1.251 -0.000 -1.027) 1.619 7.092 ( 0.695 0.000 -1.589) 1.735 7.133 ( -1.106 -0.000 0.199) 1.124 7.346 ( -0.902 -0.000 0.712) 1.149 7.445 ( 2.970 0.000 1.620) 3.384 7.460 ( 0.454 0.000 2.183) 2.229 7.622 ( -0.671 -0.000 -0.665) 0.944 7.735 ( 0.363 0.000 0.903) 0.973 7.850 ( -2.227 -0.000 -1.364) 2.612 7.982 ( 0.505 0.000 -0.653) 0.826 7.995 ( -0.849 -0.000 -0.373) 0.927 8.109 ( 1.313 0.000 0.117) 1.318 8.413 ( 1.175 0.000 -0.530) 1.289 8.506 ( -1.138 -0.000 -0.296) 1.176 8.604 ( 1.263 0.000 1.353) 1.851 9.720 ( 0.172 0.000 0.759) 0.779 9.768 ( 0.156 0.000 0.350) 0.383 9.830 ( -0.808 -0.000 -0.328) 0.872 9.933 ( -1.568 -0.000 0.483) 1.641 11.908 ( 0.192 0.000 1.959) 1.968 11.936 ( -1.433 -0.000 0.496) 1.516 13.418 ( -2.331 -0.000 -0.606) 2.409 13.613 ( 0.570 0.000 0.404) 0.699 14.076 ( 0.869 0.000 0.652) 1.087 14.197 ( -0.467 -0.000 -0.363) 0.592 14.790 ( 1.739 0.000 0.309) 1.767 14.808 ( 2.584 0.000 -1.838) 3.170 ======================= Grid point 17 (12/100) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -1.762 -6.831 -2.084) 7.356 1.086 ( 5.238 -3.106 1.832) 6.359 1.278 ( 2.990 2.466 10.366) 11.067 1.433 ( 2.336 -3.932 6.485) 7.936 1.556 ( 4.206 0.927 1.895) 4.705 1.578 ( 1.501 2.723 4.199) 5.224 1.659 ( 0.822 0.874 -1.507) 1.926 1.686 ( -1.207 0.086 -0.283) 1.243 1.710 ( 1.390 0.692 2.243) 2.727 1.827 ( -0.556 -1.977 -2.483) 3.222 1.920 ( -0.053 2.258 -3.466) 4.137 1.954 ( 4.330 0.852 -1.077) 4.542 2.080 ( 4.866 -2.399 -0.517) 5.450 2.109 ( -4.231 -0.558 0.638) 4.315 2.157 ( 1.859 -0.184 -0.571) 1.953 2.260 ( -2.887 -1.494 -3.541) 4.807 2.341 ( -4.522 1.088 1.161) 4.794 2.371 ( -0.878 5.769 -2.352) 6.291 2.481 ( -2.344 -2.568 -1.727) 3.883 2.560 ( 0.156 -1.750 -1.861) 2.559 2.582 ( -0.622 4.189 1.747) 4.581 2.671 ( -0.794 -1.123 -0.223) 1.393 2.789 ( -2.826 -5.545 1.581) 6.421 2.826 ( -1.162 -1.173 0.430) 1.707 2.938 ( 0.683 3.837 -1.799) 4.293 3.009 ( 0.277 0.740 0.397) 0.884 3.083 ( 0.100 -2.080 0.561) 2.156 3.098 ( -0.048 -0.958 -0.987) 1.376 3.267 ( -0.868 -0.350 -2.810) 2.962 3.347 ( -0.708 0.130 -0.172) 0.740 3.535 ( -0.061 3.695 0.858) 3.794 3.699 ( 1.034 -1.012 -1.643) 2.189 3.765 ( -1.651 -4.093 2.055) 4.868 3.884 ( 2.291 1.056 -2.442) 3.510 4.186 ( 0.886 2.776 0.536) 2.963 4.350 ( -0.080 1.951 1.407) 2.407 4.449 ( 0.540 -3.631 0.570) 3.715 4.565 ( 2.178 2.844 1.282) 3.805 4.844 ( -2.071 0.414 -1.503) 2.592 4.860 ( 1.029 0.455 2.018) 2.311 5.571 ( -0.292 -0.831 0.473) 1.000 5.639 ( 0.426 0.367 -0.010) 0.563 5.790 ( 0.565 1.147 -2.714) 3.000 6.238 ( -0.332 -0.474 -0.856) 1.033 6.963 ( -0.052 0.624 -1.231) 1.382 7.048 ( -0.685 0.429 -0.520) 0.961 7.099 ( -0.473 -1.173 -0.613) 1.406 7.152 ( -0.345 -3.312 -0.360) 3.349 7.345 ( -0.345 0.037 0.556) 0.655 7.467 ( 0.969 1.315 2.064) 2.632 7.492 ( 1.239 -0.142 0.931) 1.556 7.619 ( -0.476 -0.951 -0.343) 1.117 7.741 ( 0.351 0.556 0.407) 0.774 7.810 ( -1.713 0.934 -0.979) 2.183 7.963 ( 0.191 1.384 0.136) 1.404 7.998 ( -0.441 -1.142 -1.191) 1.708 8.119 ( 0.919 0.322 0.310) 1.022 8.413 ( 0.815 0.430 -0.578) 1.087 8.496 ( -0.904 -0.329 -0.095) 0.967 8.621 ( 0.878 0.534 0.894) 1.362 9.739 ( 0.047 -1.093 0.924) 1.432 9.780 ( 0.019 -1.160 -0.223) 1.181 9.825 ( -0.589 -0.695 -0.311) 0.963 9.913 ( -0.826 1.281 0.162) 1.533 11.911 ( -0.780 0.809 0.591) 1.269 11.945 ( -0.081 -1.111 1.199) 1.637 13.396 ( -1.390 -0.341 -0.716) 1.601 13.624 ( 0.446 -0.332 0.337) 0.650 14.075 ( 0.450 1.422 0.229) 1.509 14.206 ( -0.349 -1.873 -0.218) 1.918 14.798 ( 1.548 1.112 0.112) 1.909 14.816 ( 1.321 0.211 -0.570) 1.454 ======================= Grid point 18 (13/100) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -2.494 -4.176 -2.150) 5.318 1.150 ( 0.599 -1.294 -0.530) 1.522 1.394 ( 2.844 0.036 9.689) 10.098 1.533 ( 3.665 2.193 0.230) 4.277 1.576 ( 1.656 3.101 -1.786) 3.943 1.602 ( -0.794 -0.969 3.357) 3.583 1.637 ( 0.192 -1.869 0.233) 1.893 1.683 ( 0.268 0.373 2.930) 2.965 1.723 ( 1.576 2.618 -3.499) 4.645 1.774 ( 0.964 0.587 -0.920) 1.456 1.884 ( -1.089 -0.781 -0.213) 1.357 1.958 ( -0.567 3.578 -2.249) 4.264 2.025 ( -2.611 -2.045 3.526) 4.841 2.155 ( 1.651 -2.565 -0.366) 3.073 2.189 ( -0.504 -0.713 -2.551) 2.696 2.249 ( -0.102 3.544 -3.393) 4.907 2.313 ( 3.071 -4.172 -0.616) 5.217 2.370 ( -0.219 -2.871 2.536) 3.837 2.438 ( -0.969 5.661 -0.073) 5.744 2.524 ( -1.975 1.108 -1.244) 2.584 2.559 ( -2.281 0.288 1.641) 2.825 2.654 ( -1.682 0.462 -1.451) 2.269 2.837 ( 1.058 -0.137 -0.082) 1.070 2.853 ( -2.479 0.634 3.030) 3.966 2.901 ( 0.809 -5.383 -3.602) 6.527 3.000 ( 0.019 0.578 -0.021) 0.579 3.109 ( 0.272 -0.920 -0.331) 1.015 3.122 ( 0.262 -1.902 0.239) 1.935 3.243 ( -0.512 -0.233 -1.052) 1.193 3.346 ( -0.103 -0.389 0.030) 0.403 3.499 ( 0.839 2.563 0.974) 2.867 3.708 ( -0.039 -1.025 -1.223) 1.597 3.828 ( -0.685 0.308 2.429) 2.543 3.860 ( 0.666 -2.093 -2.384) 3.242 4.162 ( 0.335 1.144 0.356) 1.244 4.324 ( 0.297 2.573 0.522) 2.643 4.513 ( 0.007 -0.311 0.007) 0.311 4.529 ( 1.375 1.741 1.072) 2.464 4.810 ( -0.993 0.622 -0.917) 1.488 4.870 ( 0.452 0.817 1.024) 1.386 5.591 ( -0.122 -1.108 0.469) 1.209 5.640 ( 0.542 -0.008 0.166) 0.567 5.755 ( -0.081 0.760 -1.301) 1.509 6.236 ( -0.308 -0.436 -0.519) 0.745 6.949 ( -0.105 0.045 -0.535) 0.547 7.041 ( -0.015 -0.259 0.096) 0.276 7.103 ( -0.646 -0.747 -0.499) 1.106 7.215 ( -0.090 -4.556 -0.272) 4.565 7.347 ( 0.066 -0.006 0.127) 0.143 7.463 ( 0.104 2.125 1.987) 2.911 7.490 ( 0.426 1.636 -0.673) 1.820 7.634 ( -0.263 -1.402 -0.180) 1.438 7.729 ( 0.037 1.015 -0.036) 1.017 7.785 ( -0.514 -0.260 -0.299) 0.649 7.940 ( 0.214 2.072 0.227) 2.095 8.004 ( -0.188 -1.278 -0.892) 1.569 8.123 ( 0.254 0.295 0.402) 0.560 8.408 ( 0.407 0.427 -0.191) 0.620 8.499 ( -0.290 -0.737 0.042) 0.793 8.619 ( 0.391 1.272 0.388) 1.386 9.770 ( 0.060 -1.590 0.828) 1.794 9.797 ( -0.097 -1.433 -0.615) 1.562 9.840 ( -0.054 -1.767 -0.016) 1.768 9.880 ( -0.325 2.138 0.045) 2.163 11.893 ( -0.594 0.781 -0.048) 0.983 11.973 ( 0.252 -0.862 0.705) 1.142 13.392 ( -0.526 -0.969 -0.397) 1.172 13.635 ( 0.216 -0.210 0.194) 0.359 14.050 ( -0.021 1.672 -0.075) 1.674 14.241 ( 0.107 -2.484 0.081) 2.488 14.788 ( 0.670 1.544 0.119) 1.687 14.811 ( 0.355 0.884 -0.157) 0.965 ======================= Grid point 19 (14/100) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.000 3.251 -0.000) 3.251 1.151 ( 0.000 1.944 -0.000) 1.944 1.461 ( 0.000 3.191 -0.000) 3.191 1.480 ( 0.000 1.336 -0.000) 1.336 1.498 ( 0.000 3.529 -0.000) 3.529 1.581 ( 0.000 4.314 -0.000) 4.314 1.621 ( 0.000 3.478 -0.000) 3.478 1.709 ( -0.000 -1.410 0.000) 1.410 1.732 ( -0.000 -2.652 0.000) 2.652 1.796 ( -0.000 -1.165 0.000) 1.165 1.883 ( 0.000 0.483 -0.000) 0.483 1.918 ( -0.000 -1.778 0.000) 1.778 2.070 ( 0.000 4.494 -0.000) 4.494 2.127 ( 0.000 1.283 -0.000) 1.283 2.197 ( -0.000 -0.603 0.000) 0.603 2.234 ( -0.000 -1.794 0.000) 1.794 2.313 ( 0.000 5.237 -0.000) 5.237 2.357 ( 0.000 0.739 -0.000) 0.739 2.431 ( -0.000 -2.950 0.000) 2.950 2.490 ( -0.000 -0.721 0.000) 0.721 2.568 ( -0.000 -1.388 0.000) 1.388 2.632 ( -0.000 -0.187 0.000) 0.187 2.819 ( 0.000 0.577 -0.000) 0.577 2.861 ( -0.000 -0.787 0.000) 0.787 2.993 ( 0.000 0.259 -0.000) 0.259 3.006 ( -0.000 -6.809 0.000) 6.809 3.119 ( -0.000 -0.041 0.000) 0.041 3.150 ( -0.000 -1.112 0.000) 1.112 3.252 ( -0.000 -1.668 0.000) 1.668 3.343 ( 0.000 1.081 -0.000) 1.081 3.481 ( 0.000 0.473 -0.000) 0.473 3.700 ( 0.000 1.469 -0.000) 1.469 3.814 ( -0.000 -0.722 0.000) 0.722 3.910 ( -0.000 -2.338 0.000) 2.338 4.166 ( -0.000 -1.397 0.000) 1.397 4.275 ( 0.000 4.157 -0.000) 4.157 4.450 ( 0.000 3.891 -0.000) 3.891 4.573 ( -0.000 -2.001 0.000) 2.001 4.786 ( 0.000 1.431 -0.000) 1.431 4.870 ( -0.000 -0.410 0.000) 0.410 5.604 ( -0.000 -0.255 0.000) 0.255 5.652 ( -0.000 -0.846 0.000) 0.846 5.748 ( -0.000 -0.753 0.000) 0.753 6.240 ( -0.000 -0.648 0.000) 0.648 6.949 ( -0.000 -0.387 0.000) 0.387 7.054 ( -0.000 -1.069 0.000) 1.069 7.106 ( -0.000 -0.544 0.000) 0.544 7.278 ( -0.000 -3.020 0.000) 3.020 7.352 ( -0.000 -0.576 0.000) 0.576 7.433 ( 0.000 3.096 -0.000) 3.096 7.445 ( 0.000 2.839 -0.000) 2.839 7.648 ( -0.000 -0.518 0.000) 0.518 7.726 ( -0.000 -0.711 0.000) 0.711 7.798 ( -0.000 -1.620 0.000) 1.620 7.905 ( 0.000 2.324 -0.000) 2.324 8.021 ( -0.000 -1.422 0.000) 1.422 8.121 ( 0.000 0.414 -0.000) 0.414 8.403 ( 0.000 0.321 -0.000) 0.321 8.512 ( -0.000 -0.823 0.000) 0.823 8.596 ( 0.000 1.855 -0.000) 1.855 9.801 ( -0.000 -1.246 0.000) 1.246 9.815 ( -0.000 -1.386 0.000) 1.386 9.842 ( 0.000 2.061 -0.000) 2.061 9.876 ( -0.000 -2.409 0.000) 2.409 11.877 ( 0.000 0.639 -0.000) 0.639 11.987 ( -0.000 -0.247 0.000) 0.247 13.408 ( -0.000 -1.359 0.000) 1.359 13.636 ( 0.000 0.341 -0.000) 0.341 14.026 ( 0.000 1.088 -0.000) 1.088 14.283 ( -0.000 -2.339 0.000) 2.339 14.765 ( 0.000 1.650 -0.000) 1.650 14.796 ( 0.000 1.036 -0.000) 1.036 ======================= Grid point 24 (15/100) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -1.180 -0.000 -0.571) 1.311 1.111 ( 2.439 0.000 0.468) 2.483 1.416 ( 2.119 0.000 9.492) 9.726 1.479 ( 3.018 0.000 6.012) 6.727 1.592 ( -0.532 -0.000 -1.412) 1.509 1.647 ( 1.634 0.000 -1.376) 2.136 1.661 ( 2.692 0.000 -3.495) 4.412 1.670 ( 2.316 0.000 1.967) 3.039 1.762 ( 1.311 0.000 2.900) 3.182 1.806 ( -2.395 -0.000 2.993) 3.834 1.901 ( -1.989 -0.000 -5.954) 6.278 1.945 ( -0.122 -0.000 -1.178) 1.184 2.069 ( -0.373 -0.000 -3.673) 3.692 2.074 ( -4.744 -0.000 -1.048) 4.859 2.134 ( -1.039 -0.000 -1.240) 1.617 2.199 ( 4.636 0.000 -0.936) 4.730 2.376 ( -1.255 -0.000 5.125) 5.277 2.394 ( -3.345 -0.000 1.461) 3.650 2.459 ( 0.181 0.000 -2.687) 2.693 2.495 ( 2.986 0.000 -2.614) 3.969 2.629 ( -0.587 -0.000 -1.943) 2.029 2.680 ( 0.713 0.000 0.968) 1.202 2.712 ( -2.605 -0.000 2.247) 3.440 2.808 ( -0.722 -0.000 0.071) 0.725 2.975 ( 0.052 0.000 -0.862) 0.863 3.015 ( -0.505 -0.000 -0.073) 0.510 3.065 ( 0.449 0.000 0.561) 0.719 3.082 ( 0.063 0.000 -0.617) 0.620 3.243 ( -0.056 -0.000 -1.145) 1.147 3.341 ( -0.525 -0.000 -0.296) 0.603 3.554 ( -0.587 -0.000 -0.485) 0.761 3.693 ( -0.081 -0.000 -0.273) 0.285 3.733 ( -0.075 -0.000 1.213) 1.215 3.893 ( 1.168 0.000 -1.360) 1.792 4.224 ( 0.576 0.000 0.146) 0.595 4.384 ( -0.204 -0.000 0.996) 1.016 4.413 ( 0.218 0.000 0.292) 0.364 4.620 ( 1.463 0.000 0.873) 1.704 4.817 ( -1.309 -0.000 -0.977) 1.633 4.889 ( 0.656 0.000 1.198) 1.366 5.565 ( -0.166 -0.000 0.377) 0.412 5.644 ( 0.186 0.000 -0.077) 0.201 5.783 ( 0.360 0.000 -1.723) 1.761 6.227 ( -0.107 -0.000 -0.408) 0.422 6.962 ( 0.059 0.000 -0.665) 0.668 7.039 ( -0.625 -0.000 -0.327) 0.705 7.081 ( 0.046 0.000 -0.387) 0.390 7.119 ( -0.380 -0.000 -0.056) 0.384 7.349 ( -0.113 -0.000 0.421) 0.436 7.501 ( 0.157 0.000 1.149) 1.160 7.509 ( 1.116 0.000 0.654) 1.294 7.606 ( -0.203 -0.000 -0.125) 0.238 7.757 ( 0.794 0.000 0.479) 0.927 7.793 ( -1.554 -0.000 -0.790) 1.743 7.975 ( 0.092 0.000 -0.469) 0.478 7.975 ( -0.457 -0.000 -0.232) 0.512 8.133 ( 0.704 0.000 0.108) 0.713 8.418 ( 0.483 0.000 -0.456) 0.664 8.484 ( -0.683 -0.000 -0.045) 0.684 8.639 ( 0.478 0.000 0.465) 0.667 9.739 ( 0.078 0.000 0.760) 0.764 9.769 ( 0.020 0.000 -0.232) 0.232 9.810 ( -0.441 -0.000 -0.300) 0.533 9.920 ( -0.392 -0.000 0.100) 0.404 11.923 ( -0.595 -0.000 0.251) 0.646 11.939 ( 0.087 0.000 0.886) 0.890 13.376 ( -0.794 -0.000 -0.476) 0.925 13.627 ( 0.266 0.000 0.198) 0.331 14.097 ( 0.355 0.000 0.203) 0.409 14.181 ( -0.310 -0.000 -0.263) 0.406 14.821 ( 0.795 0.000 -0.387) 0.884 14.826 ( 0.936 0.000 0.267) 0.974 ======================= Grid point 25 (16/100) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.000 -4.002 0.000) 4.002 1.135 ( -0.000 -1.116 0.000) 1.116 1.502 ( 0.000 1.153 -0.000) 1.153 1.518 ( -0.000 -0.753 0.000) 0.753 1.578 ( -0.000 -2.902 0.000) 2.902 1.630 ( 0.000 2.087 -0.000) 2.087 1.647 ( 0.000 1.617 -0.000) 1.617 1.714 ( -0.000 -0.093 0.000) 0.093 1.736 ( 0.000 2.918 -0.000) 2.918 1.809 ( 0.000 1.309 -0.000) 1.309 1.851 ( -0.000 -0.638 0.000) 0.638 1.973 ( -0.000 -3.469 0.000) 3.469 1.991 ( 0.000 2.459 -0.000) 2.459 2.096 ( -0.000 -3.454 0.000) 3.454 2.200 ( 0.000 1.365 -0.000) 1.365 2.200 ( -0.000 -7.236 0.000) 7.236 2.334 ( 0.000 8.026 -0.000) 8.026 2.382 ( -0.000 -0.020 0.000) 0.020 2.442 ( -0.000 -1.988 0.000) 1.988 2.528 ( -0.000 -0.279 0.000) 0.279 2.618 ( 0.000 5.189 -0.000) 5.189 2.628 ( -0.000 -1.236 0.000) 1.236 2.779 ( -0.000 -5.558 0.000) 5.558 2.819 ( -0.000 -1.505 0.000) 1.505 2.925 ( 0.000 4.303 -0.000) 4.303 3.011 ( 0.000 0.510 -0.000) 0.510 3.089 ( -0.000 -1.120 0.000) 1.120 3.093 ( -0.000 -2.033 0.000) 2.033 3.234 ( 0.000 0.228 -0.000) 0.228 3.337 ( -0.000 -0.295 0.000) 0.295 3.543 ( 0.000 1.256 -0.000) 1.256 3.693 ( -0.000 -0.244 0.000) 0.244 3.769 ( -0.000 -3.822 0.000) 3.822 3.880 ( 0.000 1.577 -0.000) 1.577 4.201 ( 0.000 2.649 -0.000) 2.649 4.363 ( 0.000 1.898 -0.000) 1.898 4.460 ( -0.000 -3.803 0.000) 3.803 4.603 ( 0.000 3.327 -0.000) 3.327 4.805 ( 0.000 0.156 -0.000) 0.156 4.892 ( 0.000 0.660 -0.000) 0.660 5.574 ( -0.000 -0.926 0.000) 0.926 5.644 ( 0.000 0.072 -0.000) 0.072 5.766 ( 0.000 1.151 -0.000) 1.151 6.226 ( -0.000 -0.251 0.000) 0.251 6.952 ( 0.000 0.620 -0.000) 0.620 7.036 ( -0.000 -0.182 0.000) 0.182 7.087 ( -0.000 -0.659 0.000) 0.659 7.145 ( -0.000 -3.391 0.000) 3.391 7.349 ( 0.000 0.098 -0.000) 0.098 7.500 ( 0.000 0.919 -0.000) 0.919 7.510 ( 0.000 0.950 -0.000) 0.950 7.613 ( -0.000 -0.946 0.000) 0.946 7.753 ( 0.000 1.509 -0.000) 1.509 7.778 ( -0.000 -0.058 0.000) 0.058 7.966 ( 0.000 0.826 -0.000) 0.826 7.981 ( -0.000 -0.906 0.000) 0.906 8.132 ( 0.000 0.466 -0.000) 0.466 8.415 ( 0.000 0.337 -0.000) 0.337 8.486 ( -0.000 -0.622 0.000) 0.622 8.638 ( 0.000 0.619 -0.000) 0.619 9.752 ( -0.000 -1.071 0.000) 1.071 9.775 ( -0.000 -0.825 0.000) 0.825 9.815 ( -0.000 -1.075 0.000) 1.075 9.908 ( 0.000 1.265 -0.000) 1.265 11.906 ( 0.000 1.168 -0.000) 1.168 11.959 ( -0.000 -1.295 0.000) 1.295 13.374 ( -0.000 -0.560 0.000) 0.560 13.632 ( -0.000 -0.304 0.000) 0.304 14.080 ( 0.000 1.849 -0.000) 1.849 14.201 ( -0.000 -2.297 0.000) 2.297 14.814 ( 0.000 1.036 -0.000) 1.036 14.826 ( 0.000 0.630 -0.000) 0.630 ======================= Grid point 51 (17/100) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( -3.013 -0.000 18.805) 19.045 0.389 ( -2.768 -0.000 19.918) 20.110 0.727 ( -8.764 -0.000 37.338) 38.352 1.274 ( -1.034 -0.000 -0.922) 1.385 1.355 ( 0.025 0.000 0.346) 0.347 1.470 ( 0.140 0.000 2.310) 2.314 1.562 ( -4.505 -0.000 0.868) 4.588 1.610 ( 3.927 0.000 -4.559) 6.017 1.703 ( 4.425 0.000 -0.209) 4.430 1.752 ( -2.089 -0.000 0.081) 2.091 1.819 ( 1.862 0.000 -0.303) 1.886 1.841 ( -2.211 -0.000 0.359) 2.240 2.147 ( -5.300 -0.000 0.232) 5.305 2.243 ( 1.539 0.000 -0.108) 1.543 2.323 ( 3.693 0.000 -2.786) 4.626 2.348 ( 23.752 0.000 -0.506) 23.757 2.461 ( 9.282 0.000 -7.336) 11.831 2.465 ( -0.804 -0.000 2.767) 2.881 2.521 ( 9.873 0.000 -0.588) 9.890 2.541 ( 3.196 0.000 -7.475) 8.130 2.565 ( 1.204 0.000 -1.841) 2.200 2.778 ( -4.989 -0.000 5.282) 7.265 2.857 ( 2.964 0.000 -1.659) 3.397 2.886 ( -3.089 -0.000 5.856) 6.621 2.922 ( -2.827 -0.000 -0.709) 2.914 2.974 ( -11.183 -0.000 0.102) 11.184 3.050 ( 2.894 0.000 -2.148) 3.604 3.116 ( -1.131 -0.000 0.339) 1.181 3.429 ( 7.641 0.000 0.185) 7.643 3.435 ( -0.279 -0.000 -4.636) 4.644 3.547 ( 3.641 0.000 -3.201) 4.848 3.667 ( -0.687 -0.000 1.814) 1.940 3.691 ( -2.149 -0.000 0.049) 2.150 3.709 ( -0.654 -0.000 1.917) 2.025 4.179 ( -0.527 -0.000 1.406) 1.502 4.335 ( -0.697 -0.000 2.151) 2.261 4.383 ( 0.230 0.000 -0.715) 0.751 4.425 ( 2.297 0.000 -1.482) 2.734 4.720 ( 0.833 0.000 2.169) 2.323 5.005 ( -0.940 -0.000 -0.663) 1.150 5.588 ( -0.337 -0.000 0.244) 0.416 5.610 ( 0.545 0.000 -0.136) 0.562 5.875 ( -5.590 -0.000 0.566) 5.619 6.251 ( 2.423 0.000 -3.539) 4.289 7.037 ( 0.070 0.000 -1.792) 1.794 7.054 ( 0.343 0.000 -1.231) 1.278 7.154 ( -2.647 -0.000 1.195) 2.905 7.270 ( 0.188 0.000 -1.624) 1.635 7.348 ( -7.358 -0.000 1.692) 7.550 7.394 ( 1.994 0.000 -0.372) 2.028 7.436 ( -11.789 -0.000 2.643) 12.081 7.670 ( -1.003 -0.000 1.013) 1.425 7.710 ( -0.395 -0.000 1.455) 1.508 7.905 ( 2.413 0.000 -3.513) 4.262 7.978 ( -0.640 -0.000 0.433) 0.772 8.028 ( -0.086 -0.000 -0.330) 0.341 8.099 ( -1.615 -0.000 1.472) 2.185 8.352 ( 2.387 0.000 -2.025) 3.130 8.530 ( 0.849 0.000 0.838) 1.193 8.552 ( -1.249 -0.000 0.813) 1.490 9.701 ( 0.345 0.000 -0.098) 0.359 9.766 ( -1.268 -0.000 2.007) 2.375 9.843 ( 0.594 0.000 -0.701) 0.919 10.010 ( 2.501 0.000 -1.739) 3.046 11.867 ( 0.208 0.000 1.434) 1.449 11.970 ( -0.201 -0.000 0.394) 0.443 13.582 ( 0.959 0.000 -0.598) 1.130 13.632 ( -5.219 -0.000 -1.762) 5.508 14.045 ( -0.372 -0.000 1.741) 1.781 14.202 ( 0.558 0.000 -0.566) 0.795 14.741 ( -9.148 -0.000 -0.075) 9.148 14.750 ( -0.010 -0.000 -0.138) 0.139 ======================= Grid point 52 (18/100) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 6.094 -8.750 14.073) 17.656 0.645 ( 4.926 -10.150 13.041) 17.244 1.088 ( -0.594 -5.706 14.970) 16.032 1.319 ( -0.693 -7.257 7.857) 10.719 1.349 ( -1.966 0.250 1.367) 2.407 1.479 ( 0.220 0.482 -0.953) 1.091 1.567 ( -0.653 -3.898 2.711) 4.793 1.628 ( 2.088 -2.234 -3.990) 5.027 1.729 ( -0.403 0.371 1.974) 2.048 1.776 ( 5.797 -1.213 0.596) 5.952 1.804 ( 0.188 0.447 -1.202) 1.296 1.878 ( 2.376 -2.751 -1.324) 3.869 2.068 ( -5.965 1.643 0.419) 6.201 2.173 ( -1.312 6.398 -1.545) 6.712 2.286 ( 2.959 4.450 -3.831) 6.575 2.369 ( 0.550 4.830 2.233) 5.349 2.397 ( 2.057 1.150 -3.113) 3.904 2.433 ( 1.901 5.468 -0.093) 5.790 2.509 ( 1.624 -0.143 -4.575) 4.857 2.576 ( 0.946 -2.085 -3.016) 3.787 2.662 ( 4.333 -0.368 -1.339) 4.550 2.770 ( -2.151 1.418 2.171) 3.369 2.820 ( 0.970 1.926 0.598) 2.238 2.905 ( -3.525 0.422 1.855) 4.006 2.926 ( 1.623 -1.961 -1.929) 3.194 2.940 ( -2.235 -3.211 0.780) 3.989 3.086 ( 0.247 -2.397 -0.501) 2.461 3.152 ( -1.011 -3.528 -1.437) 3.941 3.370 ( 1.637 3.575 -3.471) 5.245 3.387 ( -0.953 2.397 1.163) 2.829 3.508 ( 0.918 5.011 -1.118) 5.215 3.671 ( 1.524 -0.972 -2.339) 2.956 3.754 ( 0.012 -2.677 0.834) 2.804 3.831 ( 1.962 -8.938 -3.483) 9.791 4.154 ( -0.924 3.163 2.232) 3.981 4.318 ( 0.096 3.390 1.372) 3.658 4.389 ( 1.677 -0.988 -0.209) 1.957 4.477 ( 1.760 -3.104 -1.762) 3.980 4.757 ( 1.339 -0.203 2.768) 3.081 4.970 ( -1.922 1.410 -1.223) 2.679 5.585 ( -0.578 -0.181 0.187) 0.634 5.631 ( 0.179 -1.270 -0.795) 1.509 5.833 ( -2.640 1.087 0.507) 2.899 6.244 ( 2.573 -0.270 -3.741) 4.548 6.994 ( -0.271 1.543 -0.784) 1.752 7.074 ( 0.830 -0.791 -2.008) 2.312 7.141 ( -2.135 -0.826 0.687) 2.390 7.228 ( -5.693 -0.341 2.488) 6.222 7.317 ( 2.377 0.485 -0.987) 2.619 7.412 ( 1.397 0.242 0.611) 1.544 7.422 ( -2.854 -0.524 4.553) 5.399 7.666 ( -1.474 -0.080 1.013) 1.790 7.726 ( -0.398 -0.552 1.292) 1.460 7.873 ( 1.304 1.968 -3.489) 4.213 7.956 ( -0.441 2.033 0.700) 2.195 8.041 ( -0.338 -1.786 -0.871) 2.015 8.095 ( -1.187 0.349 1.457) 1.912 8.360 ( 2.716 -0.227 -2.060) 3.416 8.543 ( -1.419 0.285 0.590) 1.563 8.552 ( 1.263 -0.135 1.093) 1.676 9.727 ( -0.163 -1.968 0.373) 2.010 9.791 ( -0.716 -1.883 0.151) 2.021 9.843 ( 0.284 -0.197 -0.752) 0.828 9.976 ( -1.004 1.959 -1.334) 2.574 11.886 ( 0.276 -0.159 1.909) 1.935 11.970 ( -0.800 -0.185 0.186) 0.842 13.523 ( -5.130 3.059 1.410) 6.137 13.592 ( 1.038 -0.557 -0.406) 1.246 14.045 ( -0.177 0.903 1.686) 1.920 14.241 ( -0.359 -3.197 -2.415) 4.023 14.723 ( 1.058 -0.198 0.131) 1.084 14.757 ( 0.797 -0.508 -0.168) 0.960 ======================= Grid point 53 (19/100) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 7.107 -3.794 12.128) 14.560 0.985 ( 5.316 -11.722 5.605) 14.039 1.152 ( -1.722 -2.958 -1.971) 3.950 1.275 ( 0.828 0.934 -2.665) 2.943 1.506 ( 1.326 -0.757 2.199) 2.677 1.559 ( 2.274 -3.227 1.540) 4.237 1.595 ( -1.502 0.864 0.642) 1.848 1.682 ( -0.337 -2.905 1.653) 3.360 1.740 ( -1.129 -0.532 1.649) 2.068 1.803 ( 1.828 -0.504 -1.637) 2.505 1.880 ( 1.881 -1.915 -0.480) 2.727 1.960 ( 6.887 -3.268 -0.863) 7.672 2.002 ( -0.767 0.362 -3.729) 3.824 2.042 ( -1.703 1.539 3.673) 4.331 2.240 ( -1.870 0.305 1.133) 2.208 2.273 ( -3.994 3.564 -0.263) 5.359 2.338 ( -0.299 4.825 -0.597) 4.871 2.422 ( 3.565 1.528 1.097) 4.031 2.466 ( -2.446 1.726 -0.821) 3.104 2.597 ( 1.506 -2.173 -3.082) 4.061 2.657 ( -1.708 1.254 2.007) 2.919 2.737 ( 2.019 3.967 -0.271) 4.459 2.817 ( 0.436 -0.152 -0.870) 0.985 2.871 ( -1.321 1.455 0.084) 1.967 2.955 ( 0.643 -1.796 -1.079) 2.192 2.988 ( -1.984 -4.635 -0.342) 5.053 3.119 ( -0.269 -1.774 -0.686) 1.921 3.151 ( -2.266 0.342 -0.070) 2.293 3.306 ( 0.431 2.480 -1.360) 2.861 3.365 ( -0.553 1.269 -0.039) 1.384 3.442 ( -0.518 1.473 0.283) 1.587 3.693 ( 3.079 -1.772 -2.631) 4.420 3.784 ( 0.541 0.203 -0.191) 0.608 3.909 ( -0.298 -3.774 -2.438) 4.503 4.138 ( -0.840 -0.266 2.489) 2.640 4.278 ( 0.687 3.615 1.804) 4.098 4.416 ( 2.294 0.072 -0.274) 2.311 4.508 ( 1.112 -1.551 -2.216) 2.924 4.797 ( 0.970 -0.025 2.703) 2.872 4.910 ( -1.963 1.892 -1.347) 3.041 5.588 ( -0.173 -0.453 0.043) 0.487 5.634 ( -0.518 -0.161 -0.448) 0.703 5.801 ( -2.068 0.708 1.056) 2.428 6.238 ( 2.595 -0.065 -3.554) 4.401 6.975 ( -0.576 0.011 0.015) 0.576 7.056 ( -0.707 0.886 -0.303) 1.173 7.149 ( -1.121 -0.929 0.259) 1.478 7.242 ( -1.902 -3.387 0.678) 3.943 7.320 ( 2.450 0.520 -1.926) 3.160 7.421 ( 0.634 1.055 1.372) 1.843 7.458 ( -1.070 -0.922 3.717) 3.977 7.667 ( -1.172 -0.644 0.783) 1.549 7.735 ( -0.552 0.145 0.498) 0.757 7.819 ( 0.689 1.835 -2.708) 3.343 7.928 ( -0.539 1.942 1.433) 2.473 8.050 ( -0.921 -1.345 -1.297) 2.083 8.097 ( -0.247 0.257 1.607) 1.646 8.368 ( 2.398 -0.070 -2.179) 3.241 8.528 ( -1.236 0.378 0.399) 1.352 8.573 ( 1.133 0.178 0.707) 1.347 9.762 ( -0.442 -1.939 0.769) 2.132 9.808 ( -0.103 -0.783 -0.180) 0.810 9.843 ( 0.073 -0.480 -0.609) 0.779 9.919 ( -0.887 2.311 -1.097) 2.707 11.909 ( 0.248 -0.085 1.732) 1.752 11.962 ( -0.918 0.048 -0.207) 0.942 13.464 ( -3.087 1.077 1.027) 3.427 13.609 ( 1.034 -0.592 -0.371) 1.248 14.045 ( -0.253 0.697 1.410) 1.593 14.251 ( -0.122 -1.299 -2.098) 2.470 14.739 ( 1.106 -0.141 0.219) 1.137 14.776 ( 1.279 -0.618 -0.191) 1.433 ======================= Grid point 54 (20/100) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.299 4.516 2.646) 5.242 1.139 ( 3.217 -1.253 -0.386) 3.475 1.210 ( -0.654 -3.699 3.462) 5.108 1.381 ( 6.368 -7.834 -0.203) 10.097 1.499 ( 4.352 4.304 -2.421) 6.582 1.560 ( 0.945 1.670 -2.556) 3.196 1.626 ( 0.170 -1.340 2.762) 3.074 1.633 ( -1.668 3.213 -2.186) 4.229 1.723 ( -1.968 4.870 -4.677) 7.033 1.785 ( -0.584 -1.336 0.438) 1.522 1.846 ( 7.840 -0.529 -4.232) 8.925 1.993 ( -6.406 -2.098 4.293) 7.992 2.059 ( 3.514 -0.016 -0.490) 3.548 2.132 ( 0.076 -1.754 -0.754) 1.911 2.260 ( 0.568 -3.850 3.174) 5.022 2.267 ( -0.686 -2.994 2.130) 3.738 2.279 ( -1.773 -0.564 1.644) 2.483 2.368 ( -5.015 5.300 -0.515) 7.315 2.435 ( 0.212 1.165 0.665) 1.358 2.616 ( 0.419 -2.209 -2.221) 3.160 2.632 ( -4.194 2.902 5.537) 7.528 2.685 ( 1.731 2.479 -2.099) 3.681 2.802 ( 2.553 1.486 -3.137) 4.309 2.855 ( -1.466 -0.254 1.708) 2.265 2.970 ( 0.813 -0.504 -1.317) 1.627 3.042 ( -1.500 -3.951 0.286) 4.236 3.099 ( -0.039 1.503 -1.126) 1.879 3.151 ( -1.016 -1.089 0.813) 1.696 3.269 ( -0.311 0.537 -1.272) 1.416 3.339 ( -0.285 0.762 -0.214) 0.841 3.449 ( -0.136 -0.629 1.602) 1.727 3.731 ( 2.269 -1.697 -3.453) 4.467 3.763 ( 0.448 1.141 0.978) 1.568 3.924 ( -0.045 -0.601 -1.252) 1.389 4.179 ( -0.642 -2.563 1.202) 2.903 4.246 ( -0.542 2.740 2.222) 3.570 4.419 ( 1.998 1.380 -1.069) 2.653 4.523 ( 1.737 -1.069 -1.393) 2.470 4.813 ( -0.317 1.235 0.839) 1.527 4.863 ( -0.435 0.440 -0.461) 0.771 5.596 ( 0.438 -0.284 -0.044) 0.524 5.627 ( -0.382 0.081 0.105) 0.404 5.794 ( -2.482 -0.767 2.258) 3.442 6.233 ( 2.500 -0.260 -3.251) 4.109 6.978 ( -1.161 -0.918 0.672) 1.625 7.044 ( -0.616 0.149 1.169) 1.330 7.150 ( -1.152 -0.372 0.180) 1.224 7.289 ( -0.290 -2.949 -0.425) 2.993 7.313 ( 2.248 0.654 -2.250) 3.247 7.411 ( 0.650 2.240 0.899) 2.499 7.483 ( -2.059 -0.107 2.737) 3.427 7.674 ( -0.689 -0.379 0.199) 0.811 7.725 ( -0.350 0.295 0.110) 0.471 7.790 ( 1.001 -0.055 -1.778) 2.041 7.908 ( -1.134 1.383 1.657) 2.439 8.051 ( -1.003 -1.389 -0.911) 1.941 8.107 ( -0.028 0.458 1.626) 1.690 8.371 ( 2.090 -0.150 -1.926) 2.846 8.519 ( -0.669 0.039 0.505) 0.840 8.579 ( 0.659 0.622 0.084) 0.910 9.790 ( -0.319 -0.827 0.610) 1.076 9.816 ( 0.415 -0.394 -0.033) 0.574 9.849 ( 0.075 -0.191 -0.584) 0.619 9.873 ( -0.145 1.038 -0.485) 1.155 11.913 ( -0.895 0.517 -0.014) 1.034 11.957 ( 0.517 0.212 0.472) 0.731 13.442 ( -2.016 -0.055 1.097) 2.296 13.621 ( 0.879 -0.091 -0.448) 0.991 14.042 ( -0.876 0.427 1.006) 1.401 14.253 ( 1.187 -0.538 -1.577) 2.046 14.750 ( 0.308 -0.026 0.402) 0.508 14.793 ( 0.463 -0.543 0.066) 0.716 ======================= Grid point 55 (21/100) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -5.404 7.820 -0.636) 9.527 1.114 ( -5.860 10.098 -0.422) 11.683 1.213 ( 8.418 2.329 -1.160) 8.811 1.440 ( 5.850 4.474 -3.414) 8.118 1.491 ( -0.935 2.279 2.983) 3.869 1.501 ( 1.160 -0.308 -6.542) 6.651 1.579 ( -0.253 -0.769 0.783) 1.127 1.641 ( -0.777 0.788 1.521) 1.881 1.699 ( 1.282 -1.409 3.280) 3.793 1.811 ( 2.721 -0.704 -1.701) 3.285 1.908 ( 1.280 -1.734 -1.864) 2.849 1.992 ( -4.557 -1.812 0.218) 4.909 2.028 ( -1.381 3.939 0.341) 4.188 2.120 ( -5.035 4.934 0.211) 7.053 2.224 ( 3.162 -2.311 -3.492) 5.247 2.257 ( -3.459 1.485 1.180) 3.945 2.339 ( -1.603 -3.488 1.959) 4.309 2.401 ( -3.746 -0.193 1.139) 3.920 2.411 ( 4.586 -2.836 1.137) 5.511 2.602 ( -5.694 -1.111 2.991) 6.527 2.638 ( 0.149 -1.399 -0.740) 1.589 2.657 ( 0.738 -0.290 -2.243) 2.380 2.792 ( 3.507 0.366 -1.325) 3.767 2.864 ( -0.492 0.002 1.519) 1.597 2.962 ( 1.452 0.883 -2.188) 2.770 3.063 ( 0.079 1.785 0.727) 1.929 3.104 ( 0.415 -2.514 0.496) 2.596 3.150 ( 0.018 1.238 0.256) 1.265 3.268 ( 0.242 -1.126 -0.551) 1.277 3.330 ( -0.092 -0.915 -0.746) 1.184 3.479 ( 0.048 -1.070 1.976) 2.247 3.710 ( -1.112 -0.107 -1.312) 1.723 3.813 ( 2.916 -3.382 -1.949) 4.873 3.907 ( 0.585 2.586 0.872) 2.791 4.192 ( -0.610 2.570 1.671) 3.126 4.239 ( -2.403 -2.580 0.735) 3.602 4.398 ( 1.144 1.136 -1.582) 2.259 4.545 ( 2.631 0.209 -0.878) 2.782 4.775 ( -1.078 1.750 -0.678) 2.165 4.881 ( 0.862 -1.720 0.635) 2.026 5.600 ( 0.288 0.316 0.023) 0.428 5.630 ( 0.779 -0.191 0.157) 0.817 5.819 ( -3.143 -2.321 3.348) 5.146 6.235 ( 2.415 -0.725 -3.057) 3.963 6.992 ( -1.750 -1.444 1.083) 2.514 7.063 ( -0.334 -0.993 2.379) 2.599 7.142 ( -1.052 0.024 -0.203) 1.071 7.297 ( 0.994 0.899 -1.233) 1.821 7.312 ( 1.619 0.587 -1.501) 2.284 7.387 ( 0.349 1.140 -0.189) 1.207 7.471 ( -3.731 0.940 2.529) 4.604 7.665 ( -0.679 0.337 -0.140) 0.770 7.734 ( 0.213 -0.678 0.589) 0.923 7.806 ( 1.959 -1.792 -1.338) 2.974 7.893 ( -1.500 0.259 1.094) 1.874 8.061 ( -0.834 -1.461 -0.332) 1.715 8.108 ( -0.373 0.962 1.578) 1.886 8.376 ( 1.835 -0.110 -1.817) 2.585 8.525 ( -0.314 -0.447 0.911) 1.062 8.567 ( 0.071 0.968 -0.468) 1.078 9.784 ( 0.127 1.959 0.284) 1.984 9.832 ( 0.355 -0.893 0.270) 0.998 9.835 ( 0.093 -0.009 -0.515) 0.523 9.887 ( 1.478 -0.996 -0.218) 1.795 11.886 ( -0.910 0.800 -0.841) 1.475 11.966 ( 1.090 0.552 0.585) 1.355 13.444 ( -1.386 -0.709 1.506) 2.167 13.619 ( 0.667 0.624 -0.613) 1.100 14.034 ( -1.345 0.014 0.574) 1.462 14.264 ( 2.697 -0.011 -1.127) 2.924 14.753 ( -0.569 -0.001 0.471) 0.739 14.803 ( -1.051 -0.727 0.526) 1.382 ======================= Grid point 56 (22/100) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -7.425 12.981 0.991) 14.987 0.787 ( -6.046 18.368 -1.970) 19.437 1.232 ( 0.904 6.050 -0.069) 6.118 1.354 ( -4.186 9.656 2.395) 10.794 1.404 ( -0.273 3.299 0.240) 3.319 1.495 ( -0.029 1.387 0.970) 1.693 1.588 ( -0.929 2.746 1.287) 3.172 1.640 ( -0.419 0.870 1.689) 1.946 1.714 ( -0.505 4.203 2.087) 4.720 1.797 ( 1.046 1.123 -0.544) 1.629 1.832 ( -4.036 1.103 -3.268) 5.309 1.891 ( -1.714 -1.075 -0.969) 2.243 2.043 ( -3.481 -2.784 -1.319) 4.648 2.131 ( 4.281 -4.192 -0.277) 5.997 2.181 ( -4.273 2.538 -1.201) 5.113 2.325 ( 7.701 -3.253 -0.955) 8.415 2.369 ( -4.401 -2.799 -1.199) 5.352 2.387 ( -0.760 -3.695 -0.022) 3.773 2.512 ( 2.115 -2.599 0.600) 3.404 2.584 ( 0.194 -0.035 -4.471) 4.475 2.638 ( 1.786 0.253 -2.663) 3.216 2.699 ( -2.373 -4.927 2.331) 5.944 2.827 ( 2.245 0.173 2.632) 3.464 2.870 ( -1.148 -0.614 0.278) 1.331 2.928 ( 2.647 3.045 -1.514) 4.310 3.027 ( -1.311 3.078 1.233) 3.565 3.111 ( 0.818 1.527 0.024) 1.732 3.171 ( 1.835 -1.399 0.172) 2.314 3.269 ( -0.691 0.015 -0.399) 0.798 3.371 ( 0.648 -4.129 -0.886) 4.272 3.521 ( 0.200 -2.020 1.177) 2.346 3.697 ( -0.910 -0.380 -0.922) 1.350 3.834 ( 2.152 2.175 -3.328) 4.520 3.904 ( 1.615 -0.041 2.034) 2.598 4.153 ( -2.680 1.644 2.063) 3.761 4.271 ( -0.788 -2.943 -0.510) 3.089 4.381 ( 0.951 0.496 -1.386) 1.752 4.537 ( 2.521 2.592 -1.480) 3.907 4.734 ( -1.115 1.250 -0.350) 1.711 4.938 ( 0.988 -2.914 0.923) 3.213 5.595 ( 0.032 0.442 0.091) 0.452 5.644 ( 1.831 0.301 -0.314) 1.882 5.864 ( -3.965 -3.273 3.478) 6.207 6.244 ( 2.418 -0.878 -2.951) 3.915 7.009 ( -2.071 -1.971 0.559) 2.913 7.108 ( -0.212 -1.419 3.036) 3.357 7.128 ( -0.886 0.087 -0.485) 1.014 7.273 ( -1.422 1.907 1.951) 3.076 7.292 ( 2.474 1.120 -2.374) 3.607 7.381 ( 0.927 -0.238 -1.348) 1.653 7.443 ( -4.873 0.422 3.746) 6.161 7.658 ( -0.595 -0.170 0.378) 0.725 7.741 ( -0.627 0.700 0.899) 1.300 7.854 ( 2.718 -2.688 -1.818) 4.233 7.902 ( -0.626 -1.967 0.715) 2.185 8.069 ( -0.144 -0.184 -0.375) 0.442 8.100 ( -1.356 0.653 1.729) 2.292 8.372 ( 1.472 0.456 -2.122) 2.623 8.537 ( -0.327 -0.016 0.506) 0.603 8.546 ( -0.464 0.425 0.030) 0.630 9.750 ( -0.140 2.185 0.474) 2.240 9.835 ( 1.025 -0.103 -1.040) 1.464 9.859 ( 0.388 -1.038 0.971) 1.473 9.910 ( 3.236 0.447 -1.122) 3.454 11.862 ( -0.279 0.569 -0.356) 0.727 11.969 ( 0.952 0.720 0.348) 1.243 13.464 ( -1.262 -1.143 2.504) 3.028 13.604 ( 0.535 1.001 -0.732) 1.351 14.029 ( -1.246 -0.352 0.403) 1.356 14.279 ( 4.164 1.039 -1.335) 4.495 14.752 ( -1.089 -0.365 0.485) 1.247 14.809 ( -3.593 -1.852 1.248) 4.231 ======================= Grid point 57 (23/100) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -7.744 13.767 9.529) 18.447 0.439 ( -8.805 16.172 7.915) 20.043 0.868 ( -20.908 25.778 19.155) 38.322 1.267 ( 0.300 -0.565 -1.928) 2.031 1.385 ( -0.740 1.890 1.053) 2.287 1.512 ( 1.424 4.534 0.228) 4.758 1.524 ( 1.663 0.671 2.230) 2.862 1.635 ( 2.380 1.880 -0.541) 3.081 1.720 ( -1.133 -2.990 0.229) 3.206 1.740 ( -3.391 0.629 -3.494) 4.909 1.814 ( -0.284 0.059 2.611) 2.627 1.873 ( -0.581 2.874 1.473) 3.282 2.039 ( -0.824 -1.199 -1.714) 2.248 2.136 ( -1.021 -1.823 1.712) 2.702 2.225 ( 1.786 -2.317 1.350) 3.222 2.376 ( -1.295 -4.351 -5.219) 6.917 2.432 ( 4.329 -2.344 -3.147) 5.843 2.448 ( 5.435 -2.718 -1.323) 6.219 2.489 ( 2.174 3.655 -4.781) 6.399 2.572 ( 2.251 0.316 -1.270) 2.604 2.611 ( 3.371 2.020 -5.318) 6.613 2.769 ( -2.057 -1.740 3.100) 4.108 2.837 ( -2.662 -0.554 2.355) 3.597 2.875 ( 0.181 1.965 2.920) 3.525 2.931 ( 0.192 -2.123 0.128) 2.135 2.977 ( -2.597 0.847 0.832) 2.855 3.095 ( -0.778 0.983 0.310) 1.291 3.202 ( 2.133 0.919 -3.343) 4.071 3.266 ( 1.420 -1.179 2.784) 3.340 3.434 ( -0.064 -4.174 -2.248) 4.741 3.557 ( -0.210 -2.130 -1.359) 2.535 3.684 ( -0.081 0.045 -0.780) 0.785 3.766 ( -0.334 4.508 -0.037) 4.520 3.878 ( 3.433 7.875 -6.219) 10.605 4.148 ( -1.930 -2.222 1.138) 3.155 4.304 ( -0.078 -1.720 0.364) 1.760 4.380 ( 0.880 -0.730 -1.338) 1.760 4.482 ( 1.967 4.719 -1.992) 5.486 4.711 ( -0.796 0.549 0.705) 1.196 4.994 ( 0.276 -1.974 0.446) 2.043 5.590 ( -0.147 0.236 0.128) 0.306 5.639 ( 2.208 1.981 -1.617) 3.379 5.901 ( -5.445 -3.249 1.517) 6.520 6.254 ( 2.626 -0.524 -2.906) 3.951 7.024 ( -1.313 -2.161 -1.141) 2.773 7.098 ( 0.610 1.911 -1.561) 2.542 7.154 ( -1.865 -1.096 2.292) 3.151 7.273 ( 0.635 -0.169 -0.559) 0.862 7.303 ( -3.903 -4.366 5.117) 7.777 7.383 ( 1.687 -0.021 -1.193) 2.067 7.449 ( -8.205 -4.215 5.351) 10.664 7.664 ( -0.654 -0.475 0.835) 1.163 7.722 ( -1.228 1.206 0.763) 1.883 7.896 ( 2.607 -1.855 -2.905) 4.321 7.951 ( 0.105 -2.728 0.549) 2.785 8.051 ( 0.292 1.747 -0.396) 1.815 8.099 ( -1.911 -0.314 1.651) 2.545 8.355 ( 1.577 0.617 -2.114) 2.708 8.525 ( 0.141 0.503 -0.028) 0.523 8.551 ( -0.991 -0.305 1.046) 1.473 9.724 ( -0.236 1.488 0.652) 1.641 9.828 ( 1.345 1.640 -3.274) 3.901 9.855 ( 0.063 1.507 -2.146) 2.624 9.943 ( 6.454 0.436 2.295) 6.863 11.857 ( 0.148 0.201 0.601) 0.651 11.969 ( 0.461 0.479 0.333) 0.744 13.523 ( -1.199 -4.398 5.958) 7.502 13.588 ( 0.541 0.667 -0.533) 1.011 14.030 ( -0.769 -0.398 0.615) 1.062 14.273 ( 5.485 3.787 -3.262) 7.420 14.752 ( -0.702 -0.331 0.079) 0.780 14.820 ( -9.898 -5.861 0.103) 11.503 ======================= Grid point 59 (24/100) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 3.829 0.000 10.761) 11.422 0.762 ( 7.774 0.000 13.985) 16.000 1.261 ( -2.607 -0.000 3.973) 4.753 1.326 ( 6.755 0.000 12.355) 14.081 1.369 ( -1.199 -0.000 14.342) 14.392 1.471 ( 1.260 0.000 -1.747) 2.154 1.590 ( 3.637 0.000 -5.272) 6.405 1.592 ( 2.665 0.000 6.060) 6.620 1.736 ( -0.271 -0.000 0.187) 0.329 1.794 ( 2.069 0.000 -5.057) 5.464 1.821 ( 1.901 0.000 -1.809) 2.624 1.847 ( 4.281 0.000 -0.188) 4.285 2.036 ( -6.184 -0.000 3.355) 7.036 2.173 ( -2.884 -0.000 -4.246) 5.133 2.365 ( 4.583 0.000 -2.422) 5.184 2.371 ( 0.664 0.000 -4.309) 4.360 2.390 ( -2.504 -0.000 -4.791) 5.406 2.441 ( 0.264 0.000 -2.483) 2.497 2.522 ( -0.592 -0.000 -0.411) 0.721 2.540 ( 0.149 0.000 -1.922) 1.927 2.664 ( 0.004 0.000 -1.300) 1.300 2.740 ( -6.154 -0.000 2.496) 6.641 2.846 ( -5.330 -0.000 2.039) 5.707 2.879 ( -3.246 -0.000 1.205) 3.463 2.916 ( 4.493 0.000 -2.656) 5.219 2.923 ( 4.734 0.000 -2.580) 5.391 3.063 ( 1.278 0.000 -0.944) 1.589 3.100 ( -0.526 -0.000 -0.184) 0.557 3.331 ( -1.868 -0.000 -3.320) 3.809 3.397 ( -2.056 -0.000 -0.465) 2.108 3.624 ( -1.289 -0.000 -2.823) 3.103 3.686 ( 6.163 0.000 -2.454) 6.634 3.692 ( -0.754 -0.000 1.804) 1.955 3.767 ( 4.063 0.000 1.138) 4.219 4.196 ( -0.309 -0.000 1.233) 1.271 4.366 ( -0.251 -0.000 1.805) 1.823 4.384 ( 0.880 0.000 -0.152) 0.893 4.471 ( 4.627 0.000 -0.978) 4.729 4.800 ( 1.526 0.000 3.379) 3.708 4.941 ( -2.529 -0.000 -2.190) 3.345 5.579 ( -0.956 -0.000 0.326) 1.010 5.624 ( 0.832 0.000 -0.044) 0.833 5.822 ( -1.696 -0.000 -0.178) 1.705 6.228 ( 2.144 0.000 -3.464) 4.074 6.992 ( -0.440 -0.000 -2.178) 2.222 7.061 ( 2.009 0.000 -1.456) 2.481 7.115 ( -2.964 -0.000 0.691) 3.043 7.190 ( -4.868 -0.000 1.771) 5.180 7.333 ( 1.860 0.000 -1.077) 2.149 7.438 ( -2.111 -0.000 5.284) 5.690 7.439 ( 1.946 0.000 0.931) 2.157 7.655 ( -2.402 -0.000 1.194) 2.682 7.734 ( -0.163 -0.000 1.383) 1.392 7.866 ( 0.723 0.000 -3.798) 3.866 7.978 ( -0.128 -0.000 0.324) 0.348 8.010 ( -0.689 -0.000 -0.570) 0.894 8.101 ( -0.699 -0.000 1.264) 1.445 8.368 ( 3.095 0.000 -2.203) 3.799 8.535 ( -1.663 -0.000 0.488) 1.733 8.577 ( 1.509 0.000 1.343) 2.020 9.715 ( 0.299 0.000 0.899) 0.948 9.778 ( -1.147 -0.000 1.693) 2.045 9.835 ( 0.210 0.000 -1.100) 1.120 9.966 ( -1.478 -0.000 -1.257) 1.940 11.906 ( 0.134 0.000 2.180) 2.184 11.961 ( -1.126 -0.000 0.167) 1.138 13.496 ( -5.579 -0.000 0.088) 5.580 13.597 ( 1.124 0.000 -0.079) 1.127 14.070 ( -0.301 -0.000 1.725) 1.751 14.198 ( 0.271 0.000 -0.800) 0.845 14.744 ( 3.236 0.000 -0.690) 3.309 14.761 ( 1.242 0.000 0.184) 1.256 ======================= Grid point 60 (25/100) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 1.781 -7.858 3.107) 8.636 0.992 ( 4.760 -5.255 9.599) 11.934 1.243 ( -0.389 4.568 8.259) 9.445 1.347 ( 6.694 3.895 1.543) 7.897 1.498 ( 1.555 -3.294 1.395) 3.901 1.554 ( 2.044 1.448 0.288) 2.521 1.623 ( 0.698 -0.995 2.591) 2.862 1.679 ( 2.311 -1.242 4.328) 5.061 1.720 ( -1.487 0.165 -1.801) 2.341 1.802 ( 3.331 -1.924 0.371) 3.864 1.857 ( 2.287 -2.161 -3.381) 4.619 1.904 ( 3.678 -2.958 0.939) 4.812 2.013 ( -0.412 1.032 0.567) 1.248 2.095 ( 0.058 0.953 -0.915) 1.323 2.255 ( -3.005 4.628 -2.951) 6.257 2.289 ( -2.545 2.950 -1.608) 4.215 2.373 ( -2.050 1.163 -1.488) 2.787 2.445 ( -1.330 -0.139 -2.017) 2.420 2.493 ( 0.282 2.386 0.757) 2.519 2.545 ( 1.432 -2.340 -2.571) 3.760 2.634 ( -3.385 -0.600 0.854) 3.543 2.717 ( -5.229 -1.508 1.466) 5.636 2.849 ( -1.164 -1.532 -2.898) 3.479 2.857 ( -2.113 -0.576 2.276) 3.158 2.906 ( 2.341 1.338 -2.030) 3.375 2.954 ( 3.776 -0.663 -2.370) 4.507 3.082 ( 0.297 -1.706 -0.514) 1.806 3.113 ( -1.286 -1.753 -0.309) 2.196 3.292 ( -1.615 -0.154 -2.164) 2.705 3.369 ( -1.395 0.760 -0.181) 1.599 3.533 ( 0.198 5.714 0.388) 5.730 3.668 ( 2.363 -0.545 -1.988) 3.136 3.789 ( -0.563 -3.771 1.404) 4.063 3.824 ( 3.416 -1.675 -2.067) 4.330 4.181 ( -0.408 2.361 1.951) 3.090 4.351 ( -0.006 2.396 1.547) 2.852 4.423 ( 2.178 -2.181 -0.450) 3.115 4.501 ( 3.811 0.818 -1.348) 4.124 4.841 ( 0.953 0.461 3.427) 3.587 4.890 ( -2.413 0.556 -2.235) 3.335 5.577 ( -0.515 -0.501 0.198) 0.745 5.630 ( 0.446 0.070 -0.141) 0.473 5.800 ( -1.798 0.650 0.458) 1.966 6.223 ( 2.088 -0.441 -3.192) 3.839 6.966 ( -0.483 0.264 -1.102) 1.232 7.062 ( 0.184 0.564 -0.626) 0.862 7.111 ( -1.505 -1.812 0.009) 2.355 7.181 ( -2.914 -2.102 1.227) 3.797 7.334 ( 1.557 0.478 -1.163) 2.002 7.458 ( 0.665 0.750 2.282) 2.492 7.476 ( -0.250 -0.338 3.544) 3.569 7.648 ( -2.232 -0.620 1.217) 2.616 7.740 ( -0.237 0.281 0.657) 0.753 7.824 ( 0.301 1.388 -3.131) 3.438 7.964 ( -0.273 1.477 0.781) 1.693 8.010 ( -0.765 -1.109 -1.057) 1.712 8.109 ( -0.097 -0.083 1.286) 1.292 8.375 ( 2.848 0.196 -2.292) 3.661 8.522 ( -1.560 0.085 0.373) 1.606 8.600 ( 1.357 0.413 0.967) 1.717 9.740 ( -0.077 -1.383 1.085) 1.759 9.790 ( -0.950 -0.955 0.950) 1.649 9.828 ( 0.128 -0.413 -1.218) 1.293 9.931 ( -0.894 1.393 -0.984) 1.925 11.924 ( -0.374 0.226 1.496) 1.559 11.953 ( -0.733 -0.286 0.245) 0.824 13.446 ( -3.811 0.310 0.271) 3.833 13.610 ( 1.029 -0.348 0.041) 1.087 14.072 ( -0.175 1.089 1.316) 1.717 14.208 ( 0.077 -1.693 -1.253) 2.107 14.762 ( 2.285 0.564 -0.006) 2.353 14.783 ( 1.794 -0.284 0.080) 1.818 ======================= Grid point 61 (26/100) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -2.444 -3.784 -2.996) 5.410 1.150 ( -0.451 -3.751 3.818) 5.371 1.315 ( 4.889 1.797 11.493) 12.618 1.395 ( 9.697 1.029 0.627) 9.772 1.525 ( 2.964 1.434 -5.459) 6.375 1.588 ( 2.923 -1.647 0.453) 3.385 1.625 ( 0.191 -0.078 0.249) 0.324 1.687 ( -0.497 3.286 2.368) 4.081 1.709 ( -0.676 1.061 -4.330) 4.509 1.766 ( -0.352 0.560 -1.918) 2.029 1.892 ( 5.824 1.633 -2.986) 6.745 1.932 ( -3.251 -1.745 2.382) 4.392 2.063 ( 5.027 -2.752 -1.925) 6.046 2.123 ( -3.549 1.415 1.905) 4.269 2.216 ( -1.805 -2.980 0.364) 3.503 2.242 ( 0.379 -2.518 2.446) 3.531 2.288 ( -2.684 2.893 -0.944) 4.058 2.406 ( -2.397 2.197 0.232) 3.259 2.459 ( -0.597 2.284 0.915) 2.532 2.560 ( -0.502 -2.018 -2.601) 3.330 2.644 ( -4.175 -1.176 2.843) 5.186 2.694 ( -3.440 0.772 0.125) 3.528 2.806 ( 1.987 1.445 -3.713) 4.453 2.875 ( 0.983 1.202 0.475) 1.624 2.930 ( -3.200 -5.938 1.252) 6.861 2.970 ( 2.154 -0.248 -2.098) 3.017 3.098 ( 0.890 -0.472 -1.422) 1.743 3.126 ( -1.319 -1.579 1.013) 2.293 3.258 ( -0.982 0.418 -1.470) 1.817 3.349 ( -0.235 0.485 -0.323) 0.628 3.482 ( 0.739 2.584 1.855) 3.265 3.689 ( 2.110 -1.827 -2.819) 3.967 3.815 ( 1.280 2.642 0.386) 2.961 3.864 ( -0.309 -4.396 -1.278) 4.588 4.169 ( -1.025 0.536 2.405) 2.669 4.320 ( 0.044 3.157 1.456) 3.476 4.467 ( 4.405 1.603 -1.407) 4.894 4.499 ( 1.320 -1.293 -1.350) 2.288 4.833 ( -1.411 1.255 -1.294) 2.289 4.869 ( -0.052 0.639 2.160) 2.253 5.588 ( 0.201 -0.870 -0.164) 0.908 5.630 ( 0.308 0.190 0.164) 0.398 5.782 ( -2.491 0.103 1.835) 3.096 6.220 ( 2.045 -0.311 -2.993) 3.638 6.957 ( -0.875 -0.545 0.025) 1.031 7.051 ( -0.623 0.214 0.934) 1.143 7.121 ( -1.361 -1.221 -0.411) 1.874 7.223 ( -0.921 -3.963 0.217) 4.074 7.328 ( 1.702 0.760 -1.454) 2.364 7.462 ( 0.731 1.816 1.139) 2.265 7.498 ( -1.512 0.592 3.084) 3.486 7.654 ( -1.589 -1.054 0.887) 2.103 7.731 ( -0.249 0.808 0.019) 0.846 7.784 ( 0.638 0.605 -2.282) 2.446 7.943 ( -0.534 1.872 1.210) 2.292 8.012 ( -0.639 -1.308 -0.874) 1.698 8.122 ( -0.185 -0.009 1.263) 1.276 8.377 ( 2.524 0.190 -1.972) 3.209 8.513 ( -1.004 -0.223 0.375) 1.094 8.605 ( 0.973 1.074 0.428) 1.511 9.772 ( -0.273 -1.572 0.979) 1.872 9.804 ( -0.539 -1.034 0.104) 1.171 9.834 ( 0.468 -1.184 -0.820) 1.514 9.889 ( -0.467 1.954 -0.551) 2.083 11.910 ( -1.172 0.754 -0.228) 1.412 11.968 ( 0.358 -0.493 0.896) 1.083 13.422 ( -2.517 -0.491 0.681) 2.654 13.625 ( 0.866 -0.228 -0.073) 0.898 14.057 ( -0.716 1.299 0.874) 1.722 14.230 ( 0.961 -1.824 -1.270) 2.422 14.770 ( 1.253 0.836 0.447) 1.571 14.798 ( 0.990 0.200 0.100) 1.015 ======================= Grid point 62 (27/100) ======================= q-point: (-0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -2.336 2.852 -1.492) 3.977 1.183 ( -3.040 1.390 2.220) 4.013 1.393 ( 8.115 6.121 3.209) 10.659 1.450 ( 3.571 0.895 -6.797) 7.730 1.498 ( -1.956 2.490 -2.468) 4.015 1.514 ( 5.758 1.019 -2.388) 6.317 1.604 ( -0.286 3.073 -0.220) 3.094 1.689 ( 1.700 -0.835 2.415) 3.069 1.717 ( 0.552 -1.315 4.018) 4.264 1.803 ( 3.551 -2.092 -0.552) 4.158 1.886 ( 2.240 0.365 -3.793) 4.420 1.927 ( -5.206 -0.811 1.864) 5.588 2.080 ( 1.193 1.274 0.260) 1.765 2.150 ( 1.670 -1.889 -6.289) 6.776 2.172 ( -2.023 3.209 -0.513) 3.828 2.247 ( -3.341 -1.996 2.267) 4.504 2.309 ( -2.682 2.527 3.431) 5.035 2.384 ( 0.960 -2.228 2.268) 3.321 2.435 ( -1.064 0.674 1.174) 1.722 2.551 ( -2.090 -0.791 -1.721) 2.821 2.616 ( -6.926 0.648 4.574) 8.325 2.647 ( -0.680 0.956 -1.732) 2.092 2.789 ( 2.384 -0.719 -3.152) 4.017 2.878 ( -1.064 0.184 2.009) 2.281 2.965 ( 2.344 -0.134 -1.917) 3.031 3.028 ( -1.835 -5.990 1.888) 6.544 3.099 ( 1.734 0.435 -0.873) 1.990 3.152 ( -0.297 -1.235 0.289) 1.303 3.248 ( 0.269 -0.970 -0.364) 1.070 3.336 ( 0.603 1.210 -0.456) 1.427 3.481 ( -0.011 0.104 1.171) 1.176 3.699 ( 0.454 0.160 -1.623) 1.693 3.789 ( 1.827 0.311 -1.422) 2.335 3.915 ( 0.037 -2.381 0.175) 2.388 4.183 ( -1.496 -1.301 1.307) 2.375 4.275 ( -0.203 4.040 1.408) 4.284 4.430 ( 1.993 3.018 -1.929) 4.099 4.546 ( 2.526 -1.932 -1.413) 3.480 4.793 ( -0.702 1.481 -0.417) 1.691 4.875 ( -0.308 -0.026 1.173) 1.214 5.600 ( 0.328 -0.437 -0.475) 0.724 5.637 ( 0.939 -0.248 0.138) 0.981 5.787 ( -3.273 -1.214 3.054) 4.638 6.219 ( 2.161 -0.491 -2.769) 3.546 6.964 ( -1.386 -0.968 0.780) 1.862 7.064 ( -0.719 -0.838 1.994) 2.280 7.119 ( -1.324 -0.700 -0.480) 1.573 7.278 ( -0.049 -2.912 -0.367) 2.935 7.319 ( 2.459 0.556 -1.933) 3.177 7.430 ( 0.406 3.056 -0.506) 3.125 7.486 ( -3.188 1.630 3.335) 4.893 7.659 ( -0.945 -0.199 0.293) 1.010 7.726 ( -0.016 -0.598 0.253) 0.649 7.781 ( 1.562 -1.247 -1.832) 2.711 7.914 ( -0.995 2.063 1.232) 2.600 8.027 ( -0.479 -1.605 0.041) 1.676 8.126 ( -0.551 0.369 0.913) 1.128 8.380 ( 2.188 0.151 -1.726) 2.791 8.518 ( -0.544 -0.684 0.566) 1.042 8.591 ( 0.477 1.689 -0.062) 1.756 9.801 ( 0.000 -1.001 0.513) 1.125 9.816 ( -0.045 -0.974 -0.247) 1.006 9.840 ( 0.190 1.225 -0.254) 1.265 9.871 ( 0.387 -1.402 -0.350) 1.496 11.884 ( -0.711 0.737 -0.451) 1.119 11.983 ( 0.428 -0.070 0.438) 0.616 13.425 ( -1.716 -1.191 1.226) 2.422 13.630 ( 0.676 0.343 -0.379) 0.847 14.037 ( -1.052 0.956 0.701) 1.585 14.261 ( 2.024 -1.678 -1.293) 2.930 14.765 ( 0.134 1.092 0.541) 1.225 14.798 ( -0.171 0.423 0.116) 0.471 ======================= Grid point 63 (28/100) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -2.261 9.276 0.849) 9.585 1.037 ( -1.492 15.024 1.323) 15.156 1.358 ( 4.548 4.115 -0.513) 6.154 1.387 ( 1.293 1.595 -6.829) 7.131 1.464 ( 4.350 2.099 -1.949) 5.209 1.539 ( -2.449 1.932 2.969) 4.307 1.597 ( -0.369 -1.225 3.579) 3.801 1.714 ( 1.333 1.037 0.886) 1.907 1.771 ( -1.531 -1.005 -1.584) 2.421 1.826 ( -2.698 1.611 0.426) 3.171 1.862 ( 3.863 1.235 -1.863) 4.463 1.884 ( -5.142 12.734 3.786) 14.245 1.955 ( -0.408 -3.834 -2.535) 4.614 2.122 ( 4.590 -1.975 -0.740) 5.052 2.189 ( -0.003 2.686 -1.446) 3.050 2.260 ( -3.812 -2.433 1.870) 4.894 2.318 ( -0.739 -1.547 1.279) 2.139 2.370 ( -1.793 0.638 0.944) 2.124 2.479 ( 0.097 -2.850 -0.476) 2.891 2.556 ( 1.417 -2.143 -0.203) 2.577 2.613 ( -4.999 -2.386 3.468) 6.536 2.628 ( 1.277 -0.713 -2.355) 2.772 2.815 ( 1.649 -2.619 -1.586) 3.478 2.878 ( -0.973 0.285 0.893) 1.351 2.975 ( 1.800 0.728 -0.101) 1.944 3.077 ( -0.670 2.006 1.013) 2.346 3.123 ( 0.970 -2.646 -0.153) 2.822 3.155 ( -0.227 0.012 0.451) 0.505 3.278 ( 0.590 -0.468 0.215) 0.783 3.323 ( 0.797 -0.972 -0.538) 1.368 3.493 ( -0.617 -1.191 -0.083) 1.344 3.681 ( -0.177 0.318 -0.193) 0.412 3.808 ( 2.943 -1.923 -4.072) 5.380 3.943 ( -0.693 -0.162 2.255) 2.365 4.197 ( 0.026 1.074 -1.101) 1.538 4.216 ( -1.942 1.240 1.816) 2.934 4.395 ( 1.094 1.196 -1.124) 1.972 4.565 ( 2.139 0.207 -2.510) 3.305 4.760 ( -0.323 2.118 0.692) 2.252 4.901 ( -0.275 -2.549 0.737) 2.667 5.599 ( 0.102 0.147 -0.439) 0.475 5.656 ( 1.377 -0.454 -0.456) 1.520 5.809 ( -3.857 -2.122 2.948) 5.298 6.228 ( 2.539 -0.810 -2.545) 3.685 6.972 ( -1.723 -0.898 0.942) 2.159 7.092 ( -1.874 -1.475 1.160) 2.652 7.119 ( -0.062 -0.636 0.802) 1.025 7.294 ( 0.986 0.218 -0.897) 1.350 7.322 ( 1.885 1.167 -1.478) 2.665 7.383 ( 0.462 1.171 -0.891) 1.542 7.454 ( -3.960 1.832 3.745) 5.750 7.657 ( -0.328 0.004 0.658) 0.735 7.742 ( -0.217 -0.716 0.109) 0.756 7.814 ( 1.950 -2.517 -2.006) 3.763 7.891 ( -1.006 0.461 1.319) 1.721 8.052 ( -0.335 -1.327 0.719) 1.546 8.115 ( -0.912 0.875 0.388) 1.322 8.378 ( 1.831 0.513 -1.947) 2.722 8.532 ( -0.644 -0.816 0.712) 1.261 8.563 ( 0.199 1.751 -0.207) 1.774 9.790 ( -0.131 2.073 0.239) 2.091 9.826 ( 0.397 -0.572 -0.829) 1.082 9.846 ( -0.058 -1.199 0.475) 1.291 9.905 ( 1.219 -2.128 -0.932) 2.623 11.869 ( -0.014 0.498 0.191) 0.533 11.986 ( 0.154 0.291 0.081) 0.339 13.447 ( -1.473 -1.629 1.888) 2.896 13.620 ( 0.561 0.923 -0.654) 1.262 14.023 ( -0.885 0.302 0.808) 1.236 14.293 ( 2.525 -1.179 -1.934) 3.392 14.750 ( -0.906 0.880 0.555) 1.380 14.785 ( -0.995 0.541 0.094) 1.137 ======================= Grid point 64 (29/100) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -0.873 11.627 7.848) 14.055 0.781 ( 2.222 18.488 5.246) 19.346 1.229 ( -3.202 10.617 -2.810) 11.440 1.343 ( 2.880 6.326 5.451) 8.833 1.407 ( -4.281 5.143 4.234) 7.918 1.496 ( -0.974 0.460 -2.573) 2.790 1.614 ( -0.619 2.829 3.591) 4.613 1.694 ( -2.089 0.315 -2.569) 3.326 1.708 ( -0.253 3.082 3.468) 4.646 1.745 ( 4.777 3.265 0.824) 5.845 1.822 ( -0.888 0.787 0.362) 1.240 1.890 ( 2.105 0.287 -1.688) 2.713 2.038 ( 3.040 -5.447 -0.497) 6.258 2.097 ( -4.814 -0.173 1.615) 5.081 2.234 ( 7.048 -1.852 1.360) 7.413 2.269 ( -2.721 -1.747 -0.053) 3.235 2.356 ( -0.059 -4.708 -1.515) 4.946 2.390 ( -1.113 -2.820 -1.999) 3.632 2.506 ( 1.690 -1.704 -2.149) 3.222 2.605 ( 4.176 -0.166 -0.308) 4.190 2.621 ( 2.263 0.288 -2.152) 3.136 2.682 ( -1.983 -5.881 1.839) 6.473 2.839 ( -0.841 0.404 -0.756) 1.201 2.887 ( -0.674 -1.749 1.551) 2.433 2.961 ( 0.678 2.414 0.004) 2.507 3.017 ( -1.937 4.218 1.192) 4.792 3.125 ( 0.356 1.942 -0.045) 1.975 3.186 ( 0.034 -1.985 -0.702) 2.106 3.278 ( 0.656 -0.479 1.303) 1.535 3.369 ( 0.676 -2.670 -0.782) 2.863 3.499 ( -1.234 -1.733 -2.188) 3.052 3.681 ( 0.916 0.083 -0.798) 1.218 3.805 ( 1.613 1.211 -3.558) 4.090 3.944 ( -0.031 2.100 -0.099) 2.103 4.130 ( -1.766 2.094 0.749) 2.841 4.252 ( -0.086 -3.556 0.018) 3.557 4.388 ( 1.116 0.497 -0.162) 1.232 4.535 ( 1.407 2.396 -2.854) 3.983 4.740 ( 0.349 1.403 1.720) 2.247 4.950 ( -0.909 -3.032 0.166) 3.170 5.593 ( -0.128 0.281 -0.147) 0.342 5.658 ( 0.619 0.482 -1.440) 1.640 5.829 ( -3.834 -2.009 1.743) 4.667 6.244 ( 2.943 -0.723 -2.835) 4.150 6.979 ( -1.118 -1.014 0.490) 1.587 7.090 ( -1.344 -0.718 -0.932) 1.787 7.148 ( -0.672 -0.667 1.835) 2.065 7.267 ( -2.769 2.318 1.697) 3.990 7.304 ( 2.937 0.472 -2.097) 3.640 7.390 ( 1.783 -0.472 -0.475) 1.904 7.428 ( -4.103 1.063 4.327) 6.057 7.664 ( -0.323 -0.118 1.006) 1.063 7.738 ( -0.749 0.825 0.460) 1.206 7.850 ( 1.500 -2.544 -2.759) 4.041 7.914 ( -0.372 -2.257 1.077) 2.529 8.070 ( 0.508 0.282 0.006) 0.581 8.092 ( -1.867 0.352 0.851) 2.082 8.366 ( 1.962 0.726 -2.108) 2.970 8.542 ( -1.004 -0.580 0.672) 1.341 8.544 ( 0.564 0.931 0.339) 1.140 9.758 ( -0.436 2.056 0.788) 2.245 9.825 ( 0.420 0.138 -1.714) 1.770 9.854 ( -0.181 0.206 -0.566) 0.629 9.946 ( 0.954 -2.658 -1.011) 3.000 11.871 ( 0.344 0.241 1.180) 1.252 11.979 ( -0.327 0.391 0.035) 0.510 13.484 ( -2.295 -2.571 2.686) 4.369 13.603 ( 0.663 1.006 -0.670) 1.379 14.026 ( -0.446 -0.291 1.077) 1.201 14.300 ( 1.510 0.336 -3.348) 3.688 14.732 ( -1.604 0.492 0.568) 1.771 14.766 ( -0.427 0.757 -0.054) 0.871 ======================= Grid point 67 (30/100) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -3.038 -0.000 4.180) 5.167 1.068 ( 2.371 0.000 7.385) 7.756 1.359 ( 3.759 0.000 4.959) 6.222 1.428 ( 2.822 0.000 5.266) 5.974 1.548 ( 3.701 0.000 3.983) 5.437 1.565 ( 5.049 0.000 -5.895) 7.762 1.648 ( -1.063 -0.000 -8.777) 8.841 1.655 ( -0.531 -0.000 2.158) 2.222 1.753 ( 0.444 0.000 6.125) 6.141 1.802 ( 2.050 0.000 0.630) 2.145 1.891 ( 6.110 0.000 -0.674) 6.147 1.940 ( 1.742 0.000 2.412) 2.975 2.023 ( 1.061 0.000 -0.746) 1.297 2.060 ( 0.449 0.000 0.104) 0.460 2.217 ( -5.027 -0.000 -4.833) 6.973 2.242 ( -6.525 -0.000 -3.074) 7.213 2.405 ( -0.337 -0.000 -0.570) 0.662 2.408 ( 3.268 0.000 -2.965) 4.413 2.479 ( -2.774 -0.000 1.556) 3.180 2.492 ( -2.773 -0.000 -1.029) 2.958 2.642 ( -1.233 -0.000 0.925) 1.541 2.686 ( -2.343 -0.000 2.606) 3.504 2.763 ( -2.520 -0.000 -2.395) 3.476 2.852 ( -3.300 -0.000 2.226) 3.980 2.945 ( 3.232 0.000 -2.493) 4.082 2.961 ( 5.686 0.000 -4.240) 7.093 3.065 ( -0.356 -0.000 0.339) 0.492 3.089 ( -0.385 -0.000 -0.156) 0.415 3.264 ( -2.169 -0.000 0.432) 2.212 3.361 ( -1.374 -0.000 -0.051) 1.375 3.552 ( 0.266 0.000 -3.341) 3.352 3.704 ( -0.821 -0.000 1.041) 1.326 3.724 ( 1.402 0.000 -0.264) 1.426 3.852 ( 2.918 0.000 0.219) 2.926 4.215 ( 0.192 0.000 1.012) 1.031 4.383 ( 0.262 0.000 -0.010) 0.262 4.404 ( 0.717 0.000 0.256) 0.761 4.550 ( 5.300 0.000 -1.432) 5.490 4.850 ( -2.041 -0.000 -2.271) 3.053 4.884 ( 0.249 0.000 3.308) 3.317 5.569 ( -0.378 -0.000 -0.004) 0.378 5.635 ( 0.662 0.000 -0.283) 0.720 5.796 ( -1.748 -0.000 1.197) 2.119 6.212 ( 1.776 0.000 -2.248) 2.865 6.955 ( 0.128 0.000 -1.203) 1.209 7.068 ( 1.178 0.000 -0.974) 1.528 7.075 ( -2.704 -0.000 1.090) 2.915 7.147 ( -2.615 -0.000 1.174) 2.867 7.341 ( 0.949 0.000 -0.747) 1.208 7.491 ( 1.082 0.000 1.070) 1.521 7.505 ( -0.783 -0.000 4.112) 4.186 7.633 ( -2.419 -0.000 1.668) 2.938 7.747 ( 0.147 0.000 0.228) 0.272 7.810 ( 0.016 0.000 -2.693) 2.693 7.979 ( -0.459 -0.000 0.337) 0.569 7.985 ( -0.581 -0.000 -0.698) 0.908 8.121 ( 0.313 0.000 1.136) 1.179 8.382 ( 2.793 0.000 -2.339) 3.643 8.510 ( -1.645 -0.000 0.340) 1.680 8.623 ( 1.119 0.000 0.657) 1.298 9.739 ( -0.045 -0.000 1.094) 1.095 9.782 ( -1.244 -0.000 1.219) 1.742 9.812 ( 0.140 0.000 -1.536) 1.542 9.928 ( -0.419 -0.000 -0.855) 0.952 11.938 ( -0.960 -0.000 -0.356) 1.024 11.941 ( -0.214 -0.000 1.451) 1.467 13.415 ( -3.270 -0.000 0.355) 3.289 13.617 ( 0.783 0.000 0.194) 0.807 14.093 ( -0.063 -0.000 1.057) 1.059 14.182 ( 0.132 0.000 -1.165) 1.172 14.789 ( 2.383 0.000 -0.393) 2.416 14.802 ( 1.522 0.000 1.022) 1.833 ======================= Grid point 68 (31/100) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -4.411 -3.319 2.262) 5.966 1.145 ( -0.766 -1.309 4.210) 4.475 1.435 ( 5.767 0.242 4.804) 7.510 1.524 ( 2.804 1.983 -8.501) 9.168 1.540 ( 3.779 -0.602 4.594) 5.979 1.575 ( 2.608 -0.745 -7.622) 8.091 1.608 ( 2.306 0.052 4.056) 4.666 1.690 ( 0.932 -1.585 1.457) 2.346 1.762 ( -2.006 4.105 -0.625) 4.611 1.777 ( 2.571 1.740 -0.587) 3.159 1.895 ( -2.343 -0.163 0.958) 2.537 1.958 ( 0.387 0.335 0.327) 0.607 2.047 ( 4.717 -1.410 -1.394) 5.117 2.099 ( -7.103 -0.129 -0.221) 7.107 2.162 ( 2.786 -1.880 -0.357) 3.380 2.206 ( -0.904 -4.813 -1.824) 5.225 2.321 ( -0.447 5.921 -1.360) 6.091 2.395 ( -1.788 0.520 1.783) 2.578 2.477 ( -2.322 -2.013 0.617) 3.135 2.528 ( 0.449 -0.049 -0.434) 0.627 2.615 ( -0.932 0.503 1.438) 1.786 2.675 ( -3.114 0.775 0.483) 3.246 2.776 ( 0.817 -3.717 -2.796) 4.722 2.850 ( -3.511 -1.571 2.567) 4.625 2.921 ( 1.309 2.821 -0.333) 3.128 2.974 ( 3.385 0.092 -3.090) 4.584 3.081 ( 0.909 -1.416 -0.758) 1.845 3.096 ( -0.674 -1.364 0.366) 1.565 3.248 ( -1.543 0.617 0.798) 1.843 3.346 ( -0.835 0.194 0.209) 0.882 3.530 ( 1.065 0.725 -1.543) 2.011 3.681 ( 1.127 0.968 -0.268) 1.509 3.775 ( -0.345 -3.845 -1.085) 4.010 3.868 ( 1.191 1.186 1.219) 2.076 4.205 ( -0.490 2.067 1.450) 2.572 4.363 ( -0.033 1.652 -0.206) 1.665 4.447 ( 1.399 -3.300 -0.814) 3.676 4.556 ( 4.406 3.082 -2.122) 5.780 4.815 ( -1.025 0.195 -1.489) 1.818 4.903 ( -0.747 0.712 2.328) 2.547 5.572 ( 0.064 -0.769 -0.401) 0.870 5.638 ( 0.564 0.096 -0.213) 0.610 5.789 ( -2.184 0.767 2.739) 3.586 6.211 ( 1.669 -0.099 -1.875) 2.512 6.948 ( 0.038 0.064 -0.195) 0.208 7.055 ( -1.231 0.269 1.043) 1.636 7.087 ( -0.394 -1.250 -0.418) 1.376 7.159 ( -1.515 -2.771 0.945) 3.297 7.339 ( 0.986 0.410 -0.985) 1.452 7.497 ( 0.398 0.937 0.154) 1.029 7.525 ( -1.471 0.602 3.272) 3.637 7.633 ( -2.004 -0.709 1.670) 2.704 7.746 ( 0.542 0.741 -0.046) 0.919 7.779 ( 0.101 0.826 -2.039) 2.202 7.970 ( -0.450 0.825 0.637) 1.135 7.984 ( -0.273 -0.874 -0.428) 1.011 8.132 ( -0.031 0.204 1.007) 1.028 8.386 ( 2.582 0.157 -2.012) 3.277 8.501 ( -1.227 -0.315 0.369) 1.319 8.631 ( 0.718 0.611 0.181) 0.960 9.755 ( -0.270 -1.097 0.514) 1.241 9.786 ( -1.078 -0.618 0.956) 1.568 9.809 ( 0.464 -1.020 -1.182) 1.629 9.909 ( -0.047 1.203 -0.644) 1.366 11.913 ( -0.700 1.066 -0.418) 1.342 11.961 ( -0.164 -1.097 0.415) 1.185 13.397 ( -2.301 -0.431 0.889) 2.504 13.627 ( 0.523 -0.252 0.035) 0.581 14.084 ( -0.411 1.614 0.693) 1.805 14.194 ( 0.673 -2.007 -1.062) 2.368 14.800 ( 1.474 0.711 0.048) 1.637 14.819 ( 0.764 0.615 0.870) 1.311 ======================= Grid point 69 (32/100) ======================= q-point: (-0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -1.599 -2.806 1.218) 3.452 1.174 ( -1.978 -0.705 2.775) 3.479 1.419 ( 0.538 1.364 -10.256) 10.360 1.524 ( 3.930 2.691 -4.319) 6.430 1.544 ( 4.321 -2.228 1.625) 5.126 1.568 ( 2.646 3.485 0.664) 4.426 1.641 ( -0.918 2.535 -1.614) 3.142 1.686 ( 0.973 -1.304 1.072) 1.949 1.742 ( -0.464 1.685 0.737) 1.897 1.791 ( -0.139 -1.818 1.537) 2.385 1.881 ( 0.899 0.969 -1.941) 2.349 1.926 ( -0.173 1.032 1.128) 1.538 2.042 ( -2.767 -1.271 -2.460) 3.914 2.140 ( 1.529 2.757 -3.628) 4.806 2.179 ( 2.279 -4.169 5.044) 6.929 2.240 ( 0.224 1.652 1.801) 2.454 2.304 ( 0.187 -4.793 -0.084) 4.797 2.402 ( -0.939 -1.251 0.468) 1.633 2.458 ( -2.682 4.819 2.459) 6.039 2.512 ( 0.905 -0.896 -0.851) 1.531 2.592 ( -6.113 0.908 1.433) 6.345 2.648 ( -0.867 0.473 0.886) 1.327 2.793 ( 3.103 0.770 -2.995) 4.380 2.871 ( -2.529 -1.070 0.985) 2.918 2.936 ( -1.919 -4.303 4.069) 6.225 2.970 ( 2.745 0.028 -2.648) 3.815 3.103 ( 1.296 -0.781 -0.724) 1.678 3.123 ( -0.302 -1.956 0.039) 1.980 3.240 ( -0.157 -0.034 0.747) 0.764 3.345 ( 0.075 -0.057 -0.172) 0.196 3.507 ( 0.068 1.822 -0.249) 1.840 3.690 ( 1.829 -0.611 -0.826) 2.097 3.806 ( 0.940 -0.630 -2.437) 2.686 3.876 ( -0.471 -0.788 2.112) 2.303 4.181 ( -1.594 1.073 1.595) 2.497 4.330 ( -0.319 2.080 0.026) 2.105 4.498 ( 1.838 2.740 -1.781) 3.750 4.510 ( 2.755 -1.205 -2.648) 4.007 4.799 ( 0.118 0.309 -0.204) 0.388 4.890 ( -1.405 1.193 0.884) 2.044 5.585 ( 0.307 -1.033 -0.758) 1.318 5.640 ( 0.499 -0.126 -0.228) 0.563 5.784 ( -2.777 0.591 4.023) 4.923 6.213 ( 2.003 -0.118 -1.817) 2.707 6.952 ( -0.474 -0.311 0.869) 1.038 7.058 ( -1.509 -0.508 1.599) 2.256 7.096 ( -0.039 -0.781 -0.238) 0.817 7.217 ( -0.307 -4.115 0.443) 4.150 7.331 ( 1.458 0.477 -1.607) 2.221 7.468 ( -0.120 2.246 -1.202) 2.550 7.517 ( -2.408 1.535 3.016) 4.154 7.645 ( -1.285 -0.940 1.265) 2.034 7.731 ( -0.071 1.081 0.223) 1.106 7.765 ( 1.499 -0.450 -1.767) 2.360 7.950 ( -0.735 1.876 0.759) 2.153 8.003 ( 0.064 -1.468 0.598) 1.587 8.131 ( -0.668 0.345 0.573) 0.945 8.389 ( 2.159 0.265 -1.703) 2.763 8.504 ( -0.669 -0.734 0.433) 1.083 8.620 ( 0.277 1.340 -0.276) 1.396 9.774 ( -0.432 -1.559 -0.367) 1.659 9.801 ( -0.413 -1.122 0.966) 1.537 9.831 ( 0.778 -1.797 -0.906) 2.158 9.879 ( -0.033 1.822 -0.255) 1.840 11.889 ( -0.191 0.805 -0.369) 0.905 11.977 ( -0.163 -0.882 -0.297) 0.945 13.402 ( -1.499 -1.051 1.454) 2.338 13.633 ( 0.364 -0.087 -0.373) 0.528 14.057 ( -0.679 1.652 0.732) 1.930 14.230 ( 1.218 -2.398 -1.217) 2.952 14.794 ( 0.275 1.404 0.393) 1.484 14.813 ( 0.054 1.106 0.351) 1.162 ======================= Grid point 70 (33/100) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 1.487 3.664 -0.488) 3.984 1.195 ( -1.854 2.238 4.375) 5.252 1.349 ( 1.846 -2.432 -5.351) 6.161 1.439 ( 3.621 6.646 -5.079) 9.115 1.507 ( -3.703 1.643 -3.292) 5.220 1.568 ( 1.508 4.608 -0.165) 4.851 1.644 ( 4.253 -1.393 0.563) 4.511 1.694 ( -0.659 -0.138 -3.198) 3.268 1.708 ( -1.649 -2.691 -1.488) 3.489 1.821 ( -3.767 -0.345 2.408) 4.484 1.850 ( 0.726 -0.132 -2.808) 2.904 1.933 ( 2.565 2.006 1.380) 3.536 2.024 ( 0.411 0.218 -1.434) 1.508 2.098 ( 2.286 0.581 -1.537) 2.815 2.256 ( -1.282 0.545 3.479) 3.747 2.283 ( 2.231 0.821 4.046) 4.693 2.333 ( 0.218 1.232 1.039) 1.626 2.366 ( -4.165 3.707 1.636) 5.810 2.424 ( -1.618 -2.703 -0.129) 3.153 2.530 ( -2.074 -1.065 2.567) 3.467 2.575 ( -0.712 -2.137 1.210) 2.557 2.633 ( 1.116 1.386 0.025) 1.779 2.785 ( 2.275 -0.478 -2.346) 3.302 2.870 ( -1.490 -0.468 0.546) 1.654 2.984 ( 1.416 -0.818 -0.933) 1.883 3.041 ( -1.594 -5.248 2.671) 6.101 3.114 ( 0.788 0.181 -0.624) 1.021 3.150 ( 0.021 -1.393 0.040) 1.394 3.259 ( 0.125 -1.340 0.844) 1.589 3.336 ( 0.554 0.928 -0.692) 1.284 3.479 ( -1.134 0.535 -0.110) 1.258 3.705 ( 1.722 1.089 0.030) 2.038 3.784 ( 1.256 0.525 -2.079) 2.485 3.919 ( -0.321 -2.860 0.252) 2.889 4.174 ( -1.348 -0.468 0.957) 1.718 4.285 ( -1.110 3.637 1.005) 3.933 4.426 ( 1.751 3.312 -2.308) 4.401 4.543 ( 1.359 -1.743 -2.845) 3.602 4.796 ( 0.393 1.261 0.873) 1.583 4.872 ( -1.113 -0.716 0.026) 1.324 5.592 ( 0.276 -0.457 -0.771) 0.938 5.648 ( 0.088 -0.652 -0.466) 0.806 5.789 ( -2.947 -0.014 3.840) 4.840 6.222 ( 2.634 -0.385 -1.948) 3.298 6.963 ( -0.713 -0.321 1.444) 1.642 7.062 ( -1.983 -0.620 0.700) 2.192 7.117 ( 0.530 -1.024 1.114) 1.604 7.278 ( 0.498 -2.586 -0.030) 2.633 7.328 ( 2.098 -0.293 -2.096) 2.980 7.409 ( -0.407 2.740 -1.167) 3.006 7.489 ( -2.599 2.126 3.007) 4.507 7.660 ( -0.357 -0.472 1.062) 1.216 7.726 ( -0.237 -0.458 0.057) 0.519 7.782 ( 1.740 -1.387 -1.530) 2.700 7.915 ( -1.216 1.961 1.036) 2.529 8.038 ( 0.091 -1.425 1.479) 2.056 8.118 ( -0.963 0.604 -0.156) 1.147 8.385 ( 1.682 0.488 -1.868) 2.561 8.516 ( -0.584 -0.852 0.449) 1.127 8.591 ( 0.050 1.687 -0.489) 1.758 9.789 ( -0.267 -1.207 -0.647) 1.395 9.829 ( -0.185 -1.325 0.645) 1.486 9.840 ( 0.557 1.672 -0.104) 1.765 9.866 ( 0.203 -1.878 -0.851) 2.072 11.880 ( 0.440 0.317 0.338) 0.639 11.980 ( -0.432 -0.469 -0.673) 0.927 13.426 ( -1.197 -1.405 1.812) 2.586 13.629 ( 0.378 0.388 -0.745) 0.921 14.036 ( -0.642 1.031 1.023) 1.588 14.265 ( 1.222 -1.989 -1.824) 2.962 14.769 ( -0.685 1.635 0.402) 1.818 14.797 ( 0.049 1.126 0.114) 1.133 ======================= Grid point 71 (34/100) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 2.685 5.359 3.889) 7.146 1.104 ( 0.857 11.632 4.822) 12.621 1.296 ( 0.918 6.023 -5.944) 8.511 1.336 ( -2.340 2.886 -4.775) 6.050 1.470 ( 1.738 -3.397 -1.329) 4.040 1.536 ( 1.775 2.555 2.943) 4.283 1.646 ( -2.215 -0.031 -3.574) 4.205 1.696 ( 1.391 -0.248 -0.215) 1.429 1.731 ( -0.012 0.079 2.214) 2.216 1.801 ( -1.131 -0.265 0.580) 1.299 1.868 ( 1.415 -4.925 -5.910) 7.822 1.940 ( 2.771 1.264 0.825) 3.156 2.010 ( 4.329 7.134 5.700) 10.106 2.077 ( -3.207 1.252 0.275) 3.453 2.260 ( -1.389 0.761 1.983) 2.538 2.281 ( -1.315 1.029 0.888) 1.891 2.298 ( -2.224 -0.269 -1.067) 2.481 2.348 ( 2.649 -0.396 2.472) 3.645 2.455 ( -1.719 -2.829 -0.242) 3.319 2.595 ( -2.268 -4.645 3.858) 6.450 2.622 ( 2.357 -0.927 -0.520) 2.585 2.637 ( 3.731 -0.711 -0.894) 3.902 2.810 ( 1.814 -2.029 -2.292) 3.559 2.868 ( -1.727 -0.401 0.915) 1.995 2.987 ( -0.402 0.734 -0.392) 0.924 3.067 ( -1.546 2.402 0.370) 2.881 3.126 ( -0.033 -2.579 -0.879) 2.725 3.157 ( -0.974 0.565 0.875) 1.426 3.283 ( -0.260 -0.548 0.128) 0.621 3.338 ( 0.489 -1.265 0.335) 1.397 3.459 ( -1.276 0.224 -0.944) 1.603 3.699 ( 1.989 1.185 0.158) 2.320 3.783 ( 1.455 -1.099 -3.234) 3.713 3.949 ( -0.999 -0.825 0.181) 1.309 4.176 ( 0.266 2.085 -0.865) 2.273 4.222 ( -1.458 0.917 2.336) 2.903 4.401 ( 1.316 0.231 -0.650) 1.485 4.539 ( 1.056 0.223 -2.900) 3.095 4.783 ( 0.376 1.429 1.442) 2.065 4.893 ( -1.060 -2.553 -0.253) 2.776 5.593 ( 0.174 -0.001 -0.347) 0.388 5.647 ( -0.723 -0.248 -0.755) 1.074 5.797 ( -2.522 -0.478 2.486) 3.574 6.236 ( 2.923 -0.482 -2.672) 3.990 6.973 ( -0.447 -0.065 1.197) 1.280 7.056 ( -1.731 -0.674 0.005) 1.858 7.148 ( -0.195 -0.672 1.403) 1.568 7.299 ( 0.156 0.954 -0.103) 0.972 7.316 ( 1.841 1.316 -2.608) 3.452 7.387 ( 0.698 -0.980 0.142) 1.211 7.462 ( -2.210 1.854 3.554) 4.577 7.671 ( -0.137 0.067 0.919) 0.932 7.734 ( -0.518 -0.642 -0.087) 0.829 7.805 ( 1.175 -1.505 -2.008) 2.770 7.899 ( -1.103 -0.314 1.611) 1.978 8.074 ( -0.020 -0.917 1.761) 1.985 8.090 ( -1.022 1.030 -0.871) 1.692 8.373 ( 1.721 0.513 -2.133) 2.788 8.526 ( -0.889 -0.668 0.417) 1.187 8.567 ( 0.457 0.939 -0.051) 1.045 9.789 ( -0.366 1.060 0.308) 1.163 9.816 ( 0.185 0.266 -0.673) 0.747 9.850 ( -0.007 -0.156 0.145) 0.213 9.895 ( -0.034 -2.500 -1.214) 2.779 11.891 ( 0.663 0.069 1.266) 1.431 11.973 ( -0.806 -0.171 -0.621) 1.032 13.452 ( -1.746 -1.416 1.759) 2.854 13.617 ( 0.654 0.698 -0.765) 1.225 14.031 ( -0.453 0.165 1.265) 1.354 14.277 ( 0.533 -0.671 -2.431) 2.578 14.743 ( -0.332 1.100 0.320) 1.193 14.782 ( 0.460 1.006 -0.003) 1.107 ======================= Grid point 75 (35/100) ======================= q-point: ( 0.43 0.43 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -4.947 -0.000 4.494) 6.684 1.161 ( -2.574 -0.000 4.687) 5.347 1.436 ( -0.281 -0.000 -12.435) 12.438 1.520 ( 0.376 0.000 -4.992) 5.006 1.538 ( 5.154 0.000 3.251) 6.094 1.586 ( 5.582 0.000 -1.825) 5.872 1.693 ( 0.228 0.000 4.077) 4.083 1.699 ( 1.716 0.000 1.414) 2.224 1.757 ( 0.751 0.000 -5.885) 5.933 1.806 ( -2.882 -0.000 2.116) 3.575 1.895 ( -0.609 -0.000 2.779) 2.845 1.932 ( -0.380 -0.000 -0.938) 1.012 2.041 ( -3.110 -0.000 -2.131) 3.771 2.070 ( -1.760 -0.000 4.216) 4.569 2.128 ( 1.974 0.000 1.062) 2.242 2.193 ( 4.439 0.000 0.497) 4.467 2.360 ( 0.043 0.000 -3.973) 3.973 2.395 ( -1.225 -0.000 -2.792) 3.049 2.467 ( -0.454 -0.000 3.040) 3.074 2.518 ( 0.448 0.000 3.135) 3.167 2.637 ( -2.026 -0.000 2.463) 3.189 2.671 ( 1.849 0.000 -6.241) 6.509 2.712 ( -2.186 -0.000 2.517) 3.334 2.827 ( -2.763 -0.000 1.952) 3.383 2.958 ( 1.813 0.000 -0.930) 2.037 2.978 ( 3.162 0.000 -3.268) 4.547 3.064 ( 0.054 0.000 -0.330) 0.334 3.085 ( -0.018 -0.000 0.315) 0.315 3.259 ( -1.596 -0.000 2.689) 3.127 3.345 ( -0.889 -0.000 0.800) 1.196 3.523 ( 2.403 0.000 -2.567) 3.516 3.705 ( -1.039 -0.000 1.236) 1.615 3.728 ( 0.445 0.000 -1.527) 1.590 3.899 ( 0.560 0.000 1.667) 1.759 4.234 ( -0.395 -0.000 0.887) 0.971 4.374 ( 0.833 0.000 -2.096) 2.255 4.412 ( 0.223 0.000 -0.377) 0.438 4.598 ( 3.463 0.000 -2.979) 4.568 4.802 ( 0.223 0.000 -0.561) 0.604 4.914 ( -1.715 -0.000 1.223) 2.107 5.562 ( 0.104 0.000 -0.521) 0.531 5.641 ( 0.499 0.000 -0.261) 0.563 5.808 ( -2.028 -0.000 4.017) 4.500 6.212 ( 1.406 0.000 -1.078) 1.771 6.952 ( 0.663 0.000 -0.104) 0.671 7.056 ( -1.974 -0.000 1.848) 2.704 7.073 ( 0.748 0.000 -0.450) 0.873 7.130 ( -1.502 -0.000 1.263) 1.963 7.341 ( 0.654 0.000 -1.137) 1.311 7.502 ( -0.071 -0.000 -1.025) 1.028 7.541 ( -2.094 -0.000 2.594) 3.334 7.625 ( -2.029 -0.000 2.038) 2.876 7.759 ( 1.813 0.000 -0.953) 2.049 7.773 ( -0.675 -0.000 -0.528) 0.857 7.969 ( 0.163 0.000 -0.416) 0.447 7.981 ( -0.434 -0.000 0.964) 1.057 8.143 ( -0.320 -0.000 0.963) 1.015 8.394 ( 2.515 0.000 -1.879) 3.139 8.491 ( -1.026 -0.000 0.633) 1.206 8.641 ( 0.263 0.000 -0.244) 0.359 9.743 ( -0.484 -0.000 -0.109) 0.496 9.781 ( -1.145 -0.000 1.309) 1.739 9.796 ( 0.904 0.000 -1.076) 1.405 9.913 ( 0.317 0.000 -0.778) 0.840 11.916 ( 0.023 0.000 -0.891) 0.892 11.945 ( -0.564 -0.000 -0.240) 0.613 13.385 ( -1.632 -0.000 1.424) 2.166 13.628 ( 0.168 0.000 -0.133) 0.215 14.104 ( -0.404 -0.000 0.567) 0.696 14.170 ( 0.775 0.000 -0.870) 1.165 14.819 ( 1.019 0.000 0.061) 1.020 14.838 ( -0.252 -0.000 1.028) 1.058 ======================= Grid point 76 (36/100) ======================= q-point: (-0.43 -0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -2.072 -3.643 4.793) 6.367 1.174 ( -3.375 -0.315 3.395) 4.797 1.318 ( -1.367 -0.081 -11.406) 11.488 1.462 ( -0.590 -2.594 -9.211) 9.588 1.597 ( 4.046 1.830 -2.817) 5.258 1.601 ( 1.829 -0.548 -0.081) 1.911 1.637 ( -3.822 3.409 -1.393) 5.308 1.685 ( -1.339 0.483 -1.308) 1.934 1.765 ( -2.598 1.401 -0.206) 2.959 1.801 ( 2.274 -1.972 2.263) 3.766 1.914 ( 0.157 1.936 3.902) 4.359 1.969 ( 4.062 -0.177 2.762) 4.915 2.001 ( 0.756 1.033 -0.834) 1.527 2.153 ( -1.587 -4.126 3.196) 5.455 2.184 ( 2.203 0.251 -1.305) 2.573 2.218 ( 1.108 -2.401 2.136) 3.399 2.319 ( -1.064 2.053 -2.183) 3.180 2.356 ( 0.997 -0.964 0.283) 1.416 2.472 ( -2.323 -0.151 2.575) 3.471 2.553 ( 0.667 1.326 0.881) 1.726 2.588 ( -0.330 3.587 -2.279) 4.263 2.656 ( 0.304 -1.080 1.485) 1.861 2.761 ( -0.037 -4.150 -0.746) 4.217 2.835 ( -2.034 -1.303 1.761) 2.989 2.945 ( 0.054 1.943 1.439) 2.418 2.972 ( 2.994 0.256 -3.513) 4.623 3.080 ( 0.649 -2.003 -1.379) 2.517 3.098 ( 0.200 -0.948 0.509) 1.095 3.264 ( -0.525 0.967 3.084) 3.274 3.345 ( -0.449 0.097 0.889) 1.001 3.523 ( 1.306 0.932 -1.779) 2.396 3.701 ( 1.025 0.166 0.257) 1.070 3.746 ( -0.160 -3.204 -1.277) 3.453 3.910 ( -0.411 1.213 2.231) 2.573 4.209 ( -1.395 2.416 0.869) 2.922 4.346 ( 0.263 1.185 -1.676) 2.070 4.446 ( 0.791 -3.476 -1.500) 3.868 4.566 ( 2.000 3.139 -3.566) 5.155 4.810 ( 1.419 0.103 0.446) 1.491 4.892 ( -2.264 0.771 -0.158) 2.397 5.565 ( 0.189 -0.779 -0.458) 0.923 5.641 ( 0.247 0.143 -0.234) 0.368 5.819 ( -2.297 1.199 4.980) 5.614 6.218 ( 1.702 -0.025 -0.968) 1.958 6.958 ( 0.358 0.128 0.772) 0.860 7.056 ( -1.435 0.189 1.961) 2.437 7.085 ( 0.831 -0.835 -0.248) 1.205 7.158 ( -0.831 -3.126 1.399) 3.524 7.332 ( 0.836 0.235 -1.683) 1.894 7.477 ( -0.269 1.072 -2.032) 2.313 7.533 ( -2.886 0.515 2.021) 3.560 7.632 ( -1.620 -0.677 1.978) 2.645 7.752 ( -0.619 0.978 -0.246) 1.184 7.768 ( 2.395 0.432 -0.804) 2.563 7.968 ( -0.326 0.626 0.112) 0.714 7.993 ( 0.249 -0.945 1.209) 1.554 8.138 ( -1.007 0.686 0.743) 1.427 8.398 ( 2.123 0.252 -1.695) 2.728 8.494 ( -0.521 -0.403 0.862) 1.084 8.631 ( -0.205 0.621 -0.710) 0.965 9.744 ( -0.581 -1.012 -0.431) 1.244 9.789 ( -0.772 -0.811 1.042) 1.530 9.807 ( 1.146 -1.035 -0.794) 1.736 9.901 ( 0.504 1.083 -0.694) 1.382 11.899 ( 0.394 0.898 -0.695) 1.202 11.948 ( -0.420 -1.308 -1.110) 1.766 13.393 ( -0.943 -0.545 1.904) 2.194 13.628 ( 0.011 -0.232 -0.516) 0.566 14.086 ( -0.618 1.679 0.561) 1.876 14.193 ( 1.009 -2.043 -0.816) 2.421 14.819 ( -0.090 1.032 0.432) 1.122 14.831 ( -0.737 0.759 0.524) 1.180 ======================= Grid point 77 (37/100) ======================= q-point: (-0.29 -0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 3.397 -0.471 1.075) 3.594 1.181 ( -2.190 -3.989 0.037) 4.550 1.238 ( -5.559 -3.983 -3.276) 7.583 1.434 ( 1.535 -1.068 -11.495) 11.646 1.476 ( -3.629 1.967 -4.123) 5.834 1.585 ( -2.182 0.026 -0.237) 2.195 1.625 ( 2.391 0.076 -1.084) 2.626 1.671 ( 0.935 -1.235 -3.060) 3.430 1.700 ( -2.212 3.125 0.545) 3.867 1.847 ( 0.284 1.817 1.960) 2.688 1.880 ( 2.605 4.562 -1.133) 5.374 1.995 ( -0.313 -0.333 0.640) 0.787 2.029 ( 1.462 2.000 5.246) 5.802 2.126 ( 2.096 0.398 -1.926) 2.874 2.265 ( -3.192 -2.348 2.970) 4.952 2.266 ( -1.740 -2.535 -1.208) 3.303 2.328 ( 4.955 -3.984 -1.411) 6.513 2.361 ( -4.748 1.151 4.900) 6.919 2.468 ( -1.648 5.320 2.206) 5.990 2.540 ( 1.552 -1.170 0.503) 2.008 2.556 ( 1.370 -0.186 0.867) 1.632 2.681 ( 1.730 0.762 0.916) 2.101 2.790 ( 1.776 0.409 -2.392) 3.007 2.849 ( -1.414 -0.970 0.837) 1.908 2.961 ( 1.077 -2.335 -1.949) 3.227 2.983 ( -0.049 -2.221 2.297) 3.195 3.105 ( 0.456 -1.659 -1.074) 2.028 3.122 ( 0.017 -1.174 0.343) 1.223 3.275 ( 0.791 1.104 1.984) 2.405 3.348 ( 0.388 0.493 0.325) 0.707 3.481 ( -1.537 1.729 -0.542) 2.376 3.726 ( 2.316 -0.764 -0.073) 2.440 3.788 ( 0.647 -1.622 -0.928) 1.978 3.891 ( -0.836 1.131 0.642) 1.546 4.172 ( -2.143 0.813 1.506) 2.742 4.316 ( -0.784 1.271 -0.285) 1.520 4.475 ( 0.691 1.960 -4.186) 4.674 4.500 ( 1.506 -0.525 -1.300) 2.058 4.828 ( 1.519 0.758 0.873) 1.910 4.852 ( -1.764 0.358 -1.050) 2.084 5.578 ( 0.314 -0.869 -0.336) 0.984 5.637 ( -0.290 0.046 -0.232) 0.375 5.818 ( -2.526 1.594 4.770) 5.628 6.228 ( 2.478 -0.067 -1.404) 2.849 6.971 ( -0.128 -0.049 1.848) 1.853 7.053 ( -1.239 0.421 1.247) 1.808 7.114 ( 0.899 -1.298 0.615) 1.695 7.228 ( -0.083 -4.084 1.152) 4.244 7.322 ( 1.508 -0.009 -2.394) 2.829 7.430 ( -0.521 1.877 -1.749) 2.618 7.511 ( -2.841 0.762 1.757) 3.426 7.651 ( -0.793 -1.050 1.397) 1.919 7.732 ( -0.294 0.795 0.271) 0.890 7.779 ( 2.345 0.105 -0.795) 2.478 7.941 ( -1.184 1.859 0.313) 2.226 8.032 ( 0.460 -1.544 1.659) 2.313 8.119 ( -1.282 0.900 0.231) 1.583 8.393 ( 1.550 0.621 -1.767) 2.431 8.506 ( -0.272 -0.465 0.801) 0.965 8.605 ( -0.456 1.077 -1.029) 1.558 9.757 ( -0.355 -1.603 -0.387) 1.687 9.811 ( -0.352 -1.400 0.753) 1.628 9.831 ( 1.026 -1.413 -0.962) 1.994 9.877 ( 0.513 1.724 -0.290) 1.822 11.892 ( 0.779 0.164 -0.015) 0.796 11.952 ( -0.457 -1.099 -1.434) 1.864 13.416 ( -0.676 -0.846 2.076) 2.341 13.625 ( 0.111 -0.174 -0.861) 0.886 14.059 ( -0.777 1.421 0.844) 1.826 14.228 ( 1.102 -2.008 -1.281) 2.624 14.790 ( -1.300 1.614 0.313) 2.095 14.818 ( -0.150 1.062 0.517) 1.191 ======================= Grid point 78 (38/100) ======================= q-point: (-0.14 -0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 2.630 1.692 -1.084) 3.309 1.217 ( -4.695 -1.626 1.242) 5.121 1.230 ( -6.859 1.270 -2.628) 7.455 1.367 ( 5.688 -6.194 -3.198) 8.997 1.461 ( 5.369 2.596 -5.138) 7.872 1.574 ( -2.680 -1.060 -0.416) 2.912 1.606 ( -0.563 0.494 -0.868) 1.147 1.649 ( 0.471 1.061 -0.838) 1.432 1.695 ( -0.711 -3.714 -2.320) 4.437 1.805 ( -0.457 1.416 -0.234) 1.506 1.843 ( 6.770 3.392 -3.397) 8.300 2.019 ( 2.687 0.339 0.885) 2.849 2.027 ( -4.591 1.385 5.931) 7.627 2.151 ( 1.714 -1.614 -1.895) 3.022 2.254 ( -1.469 -0.254 0.661) 1.631 2.304 ( -0.351 0.931 1.449) 1.758 2.333 ( -4.998 2.678 3.920) 6.894 2.354 ( -2.101 -0.480 -0.185) 2.163 2.423 ( 0.377 1.232 0.964) 1.609 2.562 ( -0.738 -1.635 4.411) 4.762 2.618 ( 2.505 -1.747 0.192) 3.060 2.676 ( 2.861 2.481 -1.464) 4.060 2.779 ( 1.581 -0.997 -2.321) 2.981 2.857 ( -1.078 -0.418 0.921) 1.478 2.977 ( 1.010 -0.761 -1.904) 2.286 3.053 ( -0.918 -2.985 1.356) 3.405 3.103 ( -0.494 1.017 -0.372) 1.190 3.151 ( -0.428 -1.633 0.318) 1.717 3.275 ( 0.093 0.519 0.221) 0.572 3.340 ( 0.218 0.623 -0.023) 0.661 3.453 ( -1.282 0.387 0.934) 1.632 3.749 ( 2.418 -0.029 -2.301) 3.338 3.768 ( -0.016 2.973 1.333) 3.258 3.907 ( 0.349 -2.997 -1.317) 3.292 4.175 ( -0.979 -1.083 1.642) 2.197 4.270 ( -2.322 3.281 0.994) 4.141 4.412 ( 1.296 1.105 -2.340) 2.894 4.523 ( 1.597 -0.814 -1.606) 2.406 4.809 ( -0.816 0.535 -0.169) 0.990 4.856 ( 0.577 -0.576 -0.057) 0.817 5.591 ( 0.467 -0.388 -0.119) 0.618 5.631 ( -0.665 -0.134 -0.169) 0.699 5.809 ( -2.473 1.318 3.557) 4.528 6.237 ( 2.792 0.089 -2.414) 3.692 6.986 ( -0.532 0.342 1.892) 1.995 7.044 ( -1.112 0.391 0.923) 1.497 7.146 ( 0.068 -0.891 0.851) 1.234 7.292 ( 0.623 -2.017 0.114) 2.114 7.319 ( 1.852 -0.455 -2.734) 3.333 7.387 ( -0.280 0.955 -0.273) 1.032 7.491 ( -2.510 0.739 2.140) 3.381 7.671 ( -0.180 -0.766 0.460) 0.912 7.725 ( -0.204 0.240 0.342) 0.465 7.792 ( 1.675 -0.077 -0.998) 1.951 7.905 ( -1.651 1.034 0.990) 2.185 8.076 ( 0.172 -1.181 1.975) 2.307 8.089 ( -1.099 1.112 -0.570) 1.664 8.379 ( 1.502 0.622 -1.929) 2.522 8.516 ( -0.401 -0.277 0.640) 0.804 8.578 ( -0.085 0.577 -0.706) 0.915 9.780 ( -0.007 -1.497 -0.051) 1.497 9.825 ( -0.222 0.332 0.076) 0.407 9.850 ( 0.076 -1.171 -1.061) 1.582 9.862 ( 0.991 0.544 0.326) 1.177 11.904 ( 0.448 -0.367 0.542) 0.793 11.951 ( -0.295 -0.704 -0.978) 1.241 13.439 ( -1.120 -0.604 1.778) 2.187 13.621 ( 0.476 0.006 -0.854) 0.978 14.043 ( -0.891 0.619 1.002) 1.477 14.251 ( 1.214 -1.076 -1.652) 2.315 14.759 ( -0.809 1.072 0.276) 1.371 14.803 ( -0.022 1.097 0.397) 1.166 ======================= Grid point 83 (39/100) ======================= q-point: (-0.43 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -3.405 -0.000 4.985) 6.037 1.131 ( -10.132 -0.000 0.860) 10.169 1.220 ( 1.185 0.000 -10.220) 10.288 1.327 ( -1.354 -0.000 -8.370) 8.479 1.575 ( -2.664 -0.000 -2.099) 3.391 1.595 ( -1.352 -0.000 -5.381) 5.548 1.651 ( 3.360 0.000 -0.866) 3.470 1.681 ( -2.424 -0.000 -2.120) 3.220 1.760 ( -1.884 -0.000 3.171) 3.689 1.783 ( -0.342 -0.000 1.183) 1.232 1.990 ( 2.196 0.000 2.816) 3.571 2.010 ( -2.508 -0.000 4.726) 5.350 2.077 ( 5.929 0.000 -0.477) 5.948 2.106 ( -4.067 -0.000 -0.744) 4.134 2.169 ( 5.847 0.000 1.834) 6.128 2.197 ( -8.470 -0.000 -2.060) 8.717 2.326 ( 5.136 0.000 1.332) 5.306 2.385 ( 6.181 0.000 1.603) 6.385 2.513 ( -0.270 -0.000 2.563) 2.577 2.561 ( -2.248 -0.000 2.526) 3.381 2.624 ( 3.716 0.000 -4.670) 5.968 2.641 ( 0.482 0.000 -1.669) 1.737 2.697 ( -3.211 -0.000 2.314) 3.958 2.827 ( -1.405 -0.000 2.344) 2.733 2.966 ( 3.494 0.000 -4.938) 6.049 2.991 ( 1.667 0.000 0.915) 1.901 3.045 ( -0.049 -0.000 -1.440) 1.441 3.100 ( 0.538 0.000 0.548) 0.767 3.302 ( -1.043 -0.000 4.831) 4.942 3.352 ( -0.355 -0.000 0.688) 0.774 3.543 ( 3.174 0.000 -1.194) 3.391 3.695 ( 0.470 0.000 -2.414) 2.459 3.716 ( -1.026 -0.000 1.979) 2.229 3.934 ( -1.078 -0.000 2.202) 2.452 4.228 ( -1.500 -0.000 0.468) 1.571 4.344 ( 1.147 0.000 -3.046) 3.255 4.402 ( 0.099 0.000 -0.850) 0.856 4.568 ( 0.698 0.000 -4.283) 4.339 4.838 ( 2.486 0.000 1.163) 2.744 4.869 ( -2.658 -0.000 -1.133) 2.889 5.558 ( 0.123 0.000 0.098) 0.157 5.643 ( 0.079 0.000 -0.218) 0.232 5.859 ( -2.288 -0.000 5.639) 6.086 6.225 ( 1.579 0.000 -0.671) 1.716 6.972 ( 0.927 0.000 0.592) 1.100 7.071 ( -0.969 -0.000 2.866) 3.025 7.084 ( 1.104 0.000 -0.236) 1.129 7.136 ( -0.986 -0.000 1.976) 2.208 7.325 ( 0.894 0.000 -2.008) 2.198 7.462 ( 0.076 0.000 -2.954) 2.955 7.518 ( -4.160 -0.000 1.606) 4.459 7.632 ( -1.570 -0.000 2.610) 3.046 7.747 ( -0.800 -0.000 -0.481) 0.934 7.795 ( 3.088 0.000 -0.505) 3.129 7.978 ( 0.915 0.000 0.130) 0.924 7.994 ( -0.612 -0.000 1.280) 1.418 8.140 ( -1.716 -0.000 0.923) 1.948 8.404 ( 1.906 0.000 -1.818) 2.634 8.499 ( -0.232 -0.000 1.482) 1.500 8.623 ( -0.718 -0.000 -1.170) 1.372 9.726 ( -0.584 -0.000 -0.413) 0.716 9.781 ( -1.062 -0.000 0.776) 1.316 9.806 ( 1.608 0.000 -0.673) 1.743 9.909 ( 0.958 0.000 -1.012) 1.393 11.910 ( 1.143 0.000 -0.947) 1.484 11.915 ( -0.632 -0.000 -1.571) 1.693 13.401 ( -0.347 -0.000 2.213) 2.240 13.619 ( -0.149 -0.000 -0.767) 0.782 14.097 ( -1.119 -0.000 0.186) 1.135 14.180 ( 1.242 0.000 -0.338) 1.287 14.826 ( -1.946 -0.000 0.258) 1.963 14.835 ( -0.215 -0.000 1.085) 1.106 ======================= Grid point 84 (40/100) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -3.893 -7.800 0.317) 8.724 1.028 ( -11.613 -4.577 -7.770) 14.704 1.129 ( 0.643 2.355 -1.818) 3.043 1.321 ( 1.012 -4.169 -2.995) 5.232 1.464 ( -5.333 5.454 -4.840) 9.034 1.534 ( -2.626 -0.793 -2.163) 3.493 1.634 ( 0.274 -1.050 -3.095) 3.280 1.671 ( 2.356 0.913 -0.034) 2.527 1.720 ( -3.202 2.233 1.851) 4.321 1.868 ( 1.075 -1.758 0.890) 2.245 1.943 ( -7.617 -0.176 -0.650) 7.646 2.002 ( -2.405 0.820 2.668) 3.685 2.067 ( -4.634 -3.257 -1.160) 5.781 2.091 ( -0.215 0.146 -0.327) 0.417 2.171 ( 4.056 2.633 0.633) 4.877 2.314 ( 10.422 -3.301 -1.818) 11.082 2.336 ( 4.348 2.975 3.441) 6.293 2.440 ( -3.708 5.992 4.020) 8.113 2.530 ( 4.070 -2.770 -0.283) 4.931 2.546 ( -0.193 2.788 1.327) 3.094 2.588 ( 1.093 1.289 0.509) 1.765 2.666 ( -0.403 -3.496 -0.579) 3.566 2.749 ( 1.408 -4.806 -2.260) 5.495 2.842 ( -0.893 -0.020 2.641) 2.788 2.948 ( 2.148 1.062 -3.563) 4.294 2.983 ( 0.878 0.492 0.673) 1.211 3.067 ( 0.810 -2.003 -0.922) 2.349 3.116 ( 0.590 -0.649 0.458) 0.990 3.329 ( 0.794 1.653 1.557) 2.405 3.362 ( -0.160 -0.872 2.900) 3.033 3.515 ( 0.542 4.395 -0.673) 4.479 3.717 ( 2.164 -2.589 -2.293) 4.080 3.741 ( -1.181 -2.561 2.178) 3.563 3.924 ( -1.425 1.778 1.036) 2.503 4.189 ( -2.218 2.337 0.896) 3.345 4.319 ( 0.344 0.717 -1.693) 1.871 4.426 ( 0.406 -2.605 -1.860) 3.226 4.516 ( 0.337 1.536 -3.404) 3.750 4.825 ( -2.459 0.508 -1.762) 3.067 4.872 ( 2.828 0.633 1.332) 3.189 5.568 ( 0.175 -0.624 0.449) 0.788 5.637 ( -0.205 0.319 -0.290) 0.477 5.872 ( -2.625 1.905 5.500) 6.386 6.238 ( 2.185 -0.204 -1.072) 2.442 6.990 ( 0.687 -0.065 1.522) 1.671 7.075 ( -0.449 1.320 1.960) 2.405 7.106 ( 1.057 -1.144 0.348) 1.596 7.179 ( -0.804 -3.156 2.666) 4.208 7.313 ( 1.526 0.115 -2.709) 3.112 7.428 ( -0.028 0.779 -2.587) 2.702 7.493 ( -4.343 -0.311 1.666) 4.662 7.647 ( -1.137 -0.349 2.428) 2.704 7.735 ( -0.788 0.025 -0.148) 0.802 7.814 ( 3.484 1.058 -0.429) 3.666 7.963 ( -0.602 1.913 0.065) 2.006 8.023 ( 0.437 -1.816 1.107) 2.171 8.124 ( -1.985 0.772 0.978) 2.344 8.399 ( 1.386 0.414 -1.993) 2.463 8.512 ( -0.095 0.019 1.571) 1.574 8.598 ( -0.989 0.402 -1.497) 1.838 9.727 ( -0.391 -1.145 -0.285) 1.243 9.790 ( -0.738 -1.485 0.749) 1.820 9.820 ( 1.531 -0.518 -0.787) 1.797 9.902 ( 1.197 0.919 -1.090) 1.862 11.894 ( -0.066 -0.126 -1.150) 1.158 11.922 ( 0.953 -0.785 -1.044) 1.617 13.423 ( -0.143 -0.279 2.231) 2.253 13.612 ( -0.042 -0.328 -0.994) 1.047 14.076 ( -1.338 1.019 0.266) 1.702 14.202 ( 1.292 -1.430 -0.577) 2.012 14.799 ( -1.958 1.003 0.153) 2.205 14.838 ( -0.736 0.781 1.731) 2.037 ======================= Grid point 85 (41/100) ======================= q-point: (-0.14 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -7.816 -3.693 -7.446) 11.410 1.015 ( -8.456 -12.316 -4.691) 15.659 1.167 ( 3.398 -0.409 1.174) 3.618 1.343 ( 0.586 -1.794 -0.870) 2.078 1.406 ( -0.731 -5.524 0.838) 5.635 1.520 ( -0.585 -1.786 -2.274) 2.950 1.615 ( 0.030 1.203 -3.210) 3.428 1.669 ( -3.386 1.599 1.320) 3.970 1.683 ( 1.118 0.472 1.254) 1.745 1.815 ( 0.537 1.252 -2.337) 2.705 1.939 ( -1.902 0.143 0.116) 1.911 1.996 ( -4.161 -2.805 0.050) 5.019 2.049 ( 0.306 1.824 -1.436) 2.342 2.138 ( -2.530 1.507 0.701) 3.027 2.152 ( 1.526 -4.512 2.211) 5.251 2.325 ( -3.028 3.334 -1.001) 4.614 2.357 ( 1.885 2.499 3.416) 4.633 2.401 ( 2.647 1.072 -0.668) 2.933 2.470 ( 0.222 3.867 -0.747) 3.945 2.609 ( 0.588 0.965 5.837) 5.946 2.622 ( 2.995 -1.279 -0.086) 3.258 2.689 ( 1.059 -0.932 -3.903) 4.150 2.781 ( 1.781 0.763 -2.120) 2.872 2.854 ( -0.205 0.021 1.497) 1.511 2.942 ( 1.819 -2.137 -2.930) 4.057 3.018 ( -0.356 -2.299 1.537) 2.788 3.098 ( 0.366 -1.812 -0.056) 1.849 3.134 ( 0.747 -0.056 0.436) 0.866 3.300 ( -0.118 2.032 -0.838) 2.202 3.371 ( 0.505 3.094 0.168) 3.139 3.470 ( -0.514 0.931 2.821) 3.015 3.736 ( 0.164 -0.280 -1.759) 1.788 3.816 ( 0.286 -3.773 2.719) 4.660 3.873 ( 1.375 2.790 -2.502) 3.992 4.161 ( -2.749 -0.433 2.449) 3.707 4.294 ( -1.288 1.496 0.150) 1.980 4.410 ( 0.331 0.829 -3.199) 3.322 4.513 ( 1.999 -1.541 -0.935) 2.691 4.783 ( -1.821 -0.201 -1.571) 2.414 4.889 ( 2.159 1.593 0.892) 2.827 5.586 ( 0.287 -0.713 0.404) 0.868 5.629 ( 0.050 0.210 -0.135) 0.254 5.853 ( -2.898 2.600 4.485) 5.939 6.246 ( 2.644 0.360 -2.238) 3.483 7.008 ( -0.502 0.637 2.196) 2.341 7.065 ( -0.317 1.384 1.769) 2.269 7.136 ( 0.265 -1.094 0.260) 1.155 7.253 ( -0.503 -3.521 2.001) 4.081 7.303 ( 2.204 -0.283 -3.386) 4.050 7.396 ( -0.016 0.868 -1.231) 1.506 7.477 ( -3.940 -0.513 1.866) 4.389 7.661 ( -0.613 -0.455 0.901) 1.181 7.732 ( -0.345 -0.066 0.631) 0.722 7.819 ( 2.822 1.573 -0.552) 3.278 7.918 ( -1.415 1.955 0.098) 2.415 8.068 ( 0.759 -1.715 0.586) 1.965 8.098 ( -1.993 1.185 1.239) 2.629 8.384 ( 1.286 0.492 -2.016) 2.441 8.522 ( -0.161 0.246 1.260) 1.294 8.571 ( -0.645 0.115 -1.227) 1.391 9.749 ( -0.111 -1.977 -0.062) 1.981 9.823 ( 0.110 -1.168 1.150) 1.643 9.833 ( 1.064 -0.455 -0.934) 1.487 9.888 ( 1.527 0.954 -0.764) 1.956 11.890 ( -0.618 -0.796 -1.086) 1.481 11.940 ( 1.340 -0.707 -0.095) 1.518 13.443 ( -0.627 -0.028 1.987) 2.084 13.612 ( 0.307 -0.555 -0.953) 1.145 14.050 ( -1.447 0.776 0.439) 1.700 14.236 ( 2.119 -1.429 -0.906) 2.712 14.767 ( -1.396 0.933 0.296) 1.705 14.825 ( -1.213 1.423 1.448) 2.364 ======================= Grid point 91 (42/100) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -14.283 -0.000 -10.360) 17.645 0.768 ( -12.161 -0.000 -2.186) 12.356 1.190 ( 4.154 0.000 2.321) 4.759 1.263 ( -3.512 -0.000 1.035) 3.661 1.395 ( -15.009 -0.000 -4.727) 15.736 1.479 ( -1.335 -0.000 -3.288) 3.549 1.554 ( -4.721 -0.000 -1.873) 5.079 1.651 ( -4.429 -0.000 -1.344) 4.628 1.741 ( 2.181 0.000 -0.093) 2.183 1.866 ( 5.266 0.000 2.906) 6.014 1.895 ( -4.080 -0.000 -0.927) 4.184 1.941 ( -4.592 -0.000 -2.247) 5.112 1.984 ( -6.927 -0.000 1.736) 7.141 2.140 ( 2.677 0.000 2.578) 3.717 2.301 ( 10.372 0.000 -1.062) 10.427 2.349 ( 6.550 0.000 -1.228) 6.664 2.462 ( 5.102 0.000 0.665) 5.146 2.520 ( 0.715 0.000 -2.418) 2.521 2.541 ( 2.151 0.000 2.627) 3.396 2.553 ( 1.495 0.000 -0.522) 1.583 2.575 ( 1.352 0.000 -6.862) 6.994 2.646 ( 0.828 0.000 3.514) 3.610 2.675 ( -2.640 -0.000 2.353) 3.537 2.872 ( -0.614 -0.000 4.404) 4.446 2.922 ( 2.343 0.000 -5.778) 6.236 3.030 ( 1.757 0.000 -1.854) 2.555 3.052 ( 0.656 0.000 3.375) 3.438 3.119 ( 0.485 0.000 0.282) 0.561 3.341 ( 0.009 0.000 -1.597) 1.597 3.395 ( 0.803 0.000 4.949) 5.014 3.593 ( 2.949 0.000 -0.143) 2.953 3.671 ( 1.457 0.000 -2.158) 2.604 3.725 ( -2.332 -0.000 2.270) 3.254 3.925 ( -2.591 -0.000 0.452) 2.631 4.200 ( -1.632 -0.000 0.019) 1.632 4.314 ( 1.013 0.000 -2.218) 2.439 4.393 ( 0.138 0.000 -0.310) 0.340 4.491 ( -0.400 -0.000 -3.600) 3.622 4.789 ( -2.198 -0.000 -1.945) 2.935 4.921 ( 3.065 0.000 1.596) 3.456 5.571 ( 0.101 0.000 0.901) 0.907 5.633 ( -0.404 -0.000 -0.541) 0.676 5.917 ( -2.786 -0.000 5.783) 6.419 6.246 ( 2.174 0.000 -1.158) 2.463 7.008 ( 1.450 0.000 0.703) 1.612 7.102 ( 1.595 0.000 -0.987) 1.875 7.118 ( -0.711 -0.000 3.587) 3.656 7.175 ( -1.197 -0.000 5.164) 5.301 7.304 ( 1.898 0.000 -3.325) 3.829 7.410 ( 0.729 0.000 -3.152) 3.235 7.466 ( -5.196 -0.000 3.652) 6.351 7.661 ( -1.481 -0.000 3.465) 3.768 7.721 ( -0.954 -0.000 -0.356) 1.018 7.857 ( 4.019 0.000 -0.646) 4.070 7.994 ( -0.950 -0.000 0.320) 1.003 8.001 ( 0.915 0.000 0.342) 0.977 8.120 ( -2.362 -0.000 1.429) 2.760 8.393 ( 0.976 0.000 -2.385) 2.577 8.528 ( -0.224 -0.000 1.893) 1.907 8.574 ( -1.282 -0.000 -1.724) 2.149 9.712 ( -0.288 -0.000 -0.205) 0.353 9.769 ( -1.334 -0.000 0.563) 1.448 9.824 ( 1.664 0.000 -0.902) 1.893 9.908 ( 1.517 0.000 -2.025) 2.530 11.874 ( -0.385 -0.000 -1.522) 1.570 11.926 ( 1.709 0.000 -0.407) 1.757 13.442 ( 0.011 0.000 2.208) 2.208 13.599 ( 0.013 0.000 -1.109) 1.109 14.070 ( -1.642 -0.000 -0.086) 1.644 14.196 ( 0.944 0.000 -0.378) 1.017 14.788 ( -1.894 -0.000 0.028) 1.894 14.863 ( -1.156 -0.000 3.940) 4.106 ======================= Grid point 92 (43/100) ======================= q-point: (-0.14 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -12.245 -9.067 -8.253) 17.328 0.676 ( -14.773 -9.172 -3.639) 17.765 1.183 ( -22.309 -9.510 2.622) 24.393 1.254 ( 5.246 1.913 2.844) 6.266 1.327 ( -1.180 -3.944 1.854) 4.515 1.466 ( 0.924 -2.227 -2.911) 3.780 1.537 ( -4.659 -4.150 -0.286) 6.246 1.641 ( -0.025 -2.232 -2.087) 3.055 1.717 ( 0.411 4.544 0.425) 4.582 1.807 ( -0.948 1.897 -1.737) 2.741 1.880 ( -1.260 -0.143 -2.627) 2.917 1.932 ( -6.219 -0.672 0.400) 6.268 2.036 ( 1.164 -5.073 4.367) 6.794 2.159 ( 1.963 3.139 1.712) 4.079 2.254 ( 3.173 7.155 -4.648) 9.103 2.364 ( 1.678 5.313 -3.931) 6.819 2.422 ( 0.301 0.155 0.662) 0.744 2.463 ( 3.846 5.191 -2.176) 6.817 2.525 ( 2.016 1.813 -1.138) 2.940 2.603 ( 1.770 -4.327 -5.971) 7.583 2.621 ( 3.694 -2.193 -3.890) 5.796 2.694 ( 0.707 0.021 7.820) 7.852 2.751 ( 0.300 -4.051 2.273) 4.655 2.884 ( 1.952 -0.003 -0.971) 2.180 2.920 ( -0.260 0.817 -0.543) 1.015 2.999 ( -0.491 0.967 0.305) 1.127 3.087 ( 0.209 -0.211 1.319) 1.352 3.143 ( 1.883 -1.158 0.641) 2.302 3.308 ( -0.475 1.249 -2.677) 2.992 3.442 ( 1.493 2.537 1.079) 3.135 3.534 ( 0.377 4.437 1.984) 4.875 3.706 ( 0.569 -1.730 -1.758) 2.532 3.757 ( -1.534 -4.113 2.337) 4.973 3.903 ( 0.829 0.065 -2.068) 2.229 4.165 ( -2.516 1.713 1.605) 3.441 4.303 ( 0.310 0.469 -0.643) 0.854 4.395 ( 0.111 0.227 -1.624) 1.644 4.482 ( 1.044 -2.650 -1.676) 3.305 4.750 ( -1.726 0.162 -1.583) 2.348 4.949 ( 2.362 1.586 1.270) 3.116 5.584 ( 0.068 -0.401 0.683) 0.795 5.628 ( 0.278 -0.418 -0.443) 0.670 5.914 ( -3.229 2.920 4.949) 6.591 6.255 ( 2.549 0.138 -2.195) 3.367 7.032 ( 0.764 0.116 0.977) 1.245 7.100 ( 0.798 0.493 -0.037) 0.938 7.134 ( -0.695 0.655 2.222) 2.418 7.231 ( -1.833 -1.113 5.769) 6.154 7.289 ( 2.166 -0.028 -3.533) 4.144 7.392 ( 0.984 0.097 -2.305) 2.508 7.456 ( -5.000 0.498 4.750) 6.914 7.666 ( -1.345 0.751 1.761) 2.340 7.724 ( -0.949 -1.016 1.013) 1.720 7.873 ( 3.633 1.599 -1.110) 4.121 7.947 ( -0.738 2.886 0.018) 2.979 8.046 ( 0.610 -2.263 0.179) 2.351 8.106 ( -2.235 0.645 1.661) 2.858 8.378 ( 0.876 -0.006 -2.458) 2.610 8.539 ( -0.450 0.366 1.428) 1.542 8.550 ( -0.900 -0.249 -1.194) 1.516 9.719 ( -0.137 -1.348 0.044) 1.356 9.806 ( 0.869 -3.618 1.870) 4.164 9.832 ( 1.395 -0.182 -0.879) 1.660 9.897 ( 1.580 0.111 -2.696) 3.127 11.863 ( -0.328 -0.459 -0.991) 1.140 11.944 ( 1.532 -0.517 0.048) 1.618 13.460 ( -0.589 0.242 2.555) 2.634 13.595 ( 0.289 -0.587 -1.032) 1.222 14.048 ( -1.566 0.534 0.079) 1.657 14.222 ( 2.159 -2.156 -0.606) 3.111 14.768 ( -1.385 0.522 0.185) 1.492 14.866 ( -2.367 3.135 4.249) 5.787 ======================= Grid point 99 (44/100) ======================= q-point: (-0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( -16.892 -0.000 1.885) 16.997 0.412 ( -20.564 -0.000 2.692) 20.739 0.784 ( -39.123 -0.000 9.537) 40.269 1.320 ( 2.037 0.000 0.214) 2.048 1.324 ( -2.384 -0.000 2.284) 3.301 1.430 ( 3.946 0.000 0.468) 3.974 1.486 ( -0.212 -0.000 0.676) 0.709 1.616 ( 3.120 0.000 -3.321) 4.556 1.782 ( 0.308 0.000 0.888) 0.940 1.811 ( -3.152 -0.000 -3.871) 4.992 1.818 ( -3.450 -0.000 -0.185) 3.455 1.837 ( -6.327 -0.000 0.263) 6.332 2.087 ( 5.817 0.000 4.361) 7.270 2.222 ( 1.278 0.000 1.999) 2.373 2.297 ( -2.174 -0.000 -24.422) 24.518 2.357 ( 2.091 0.000 -4.638) 5.087 2.433 ( 6.087 0.000 -2.836) 6.716 2.455 ( -3.384 -0.000 0.681) 3.452 2.523 ( 2.614 0.000 -4.590) 5.282 2.561 ( 3.166 0.000 -2.124) 3.813 2.596 ( 5.442 0.000 -5.926) 8.046 2.733 ( -2.601 -0.000 7.149) 7.607 2.784 ( -0.560 -0.000 8.596) 8.615 2.861 ( 1.775 0.000 -4.203) 4.563 2.933 ( -0.670 -0.000 2.574) 2.660 3.036 ( 2.660 0.000 -2.163) 3.428 3.125 ( -0.470 -0.000 0.404) 0.620 3.157 ( 1.512 0.000 5.894) 6.085 3.279 ( -0.990 -0.000 -5.129) 5.224 3.474 ( 1.552 0.000 -0.160) 1.560 3.639 ( 0.238 0.000 1.686) 1.703 3.665 ( 1.909 0.000 -2.433) 3.092 3.715 ( -2.245 -0.000 1.620) 2.768 3.830 ( -1.867 -0.000 -8.440) 8.644 4.176 ( -1.051 -0.000 0.397) 1.123 4.310 ( 0.209 0.000 0.743) 0.772 4.391 ( -0.015 -0.000 -0.209) 0.210 4.438 ( 0.288 0.000 -1.995) 2.016 4.726 ( -1.055 -0.000 -1.484) 1.821 4.995 ( 1.636 0.000 0.954) 1.893 5.586 ( -0.070 -0.000 0.458) 0.463 5.614 ( -0.221 -0.000 -0.587) 0.628 5.961 ( -2.129 -0.000 3.173) 3.821 6.259 ( 2.530 0.000 -2.415) 3.498 7.043 ( 1.262 0.000 -0.236) 1.284 7.096 ( 0.884 0.000 -2.608) 2.754 7.159 ( -1.604 -0.000 2.819) 3.244 7.270 ( 1.638 0.000 -1.619) 2.303 7.313 ( 0.675 0.000 6.688) 6.722 7.382 ( 1.533 0.000 -2.068) 2.575 7.521 ( 0.146 0.000 11.351) 11.352 7.696 ( -2.605 -0.000 4.403) 5.116 7.704 ( -0.878 -0.000 0.497) 1.008 7.905 ( 3.349 0.000 -2.245) 4.032 7.982 ( -0.625 -0.000 0.339) 0.711 8.023 ( 0.693 0.000 0.218) 0.727 8.106 ( -2.129 -0.000 1.670) 2.705 8.361 ( 0.817 0.000 -2.596) 2.722 8.528 ( -0.614 -0.000 -0.869) 1.064 8.551 ( -0.780 -0.000 1.487) 1.679 9.704 ( 0.067 0.000 -0.461) 0.466 9.759 ( -1.449 -0.000 1.426) 2.033 9.837 ( 1.286 0.000 -0.545) 1.396 9.882 ( 0.221 0.000 -1.330) 1.348 11.852 ( -0.029 -0.000 -0.193) 0.195 11.954 ( 1.152 0.000 0.246) 1.178 13.496 ( -0.330 -0.000 6.720) 6.729 13.583 ( 0.478 0.000 -1.015) 1.121 14.040 ( -1.247 -0.000 0.135) 1.255 14.201 ( 0.594 0.000 -0.573) 0.825 14.761 ( -0.999 -0.000 0.045) 1.000 14.963 ( 1.247 0.000 6.298) 6.420 ======================= Grid point 100 (45/100) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -2.688 -0.000 17.552) 17.756 0.727 ( -4.233 -0.000 15.636) 16.199 1.293 ( -0.632 -0.000 4.669) 4.711 1.309 ( -1.422 -0.000 5.496) 5.677 1.404 ( -3.171 -0.000 20.384) 20.629 1.475 ( -2.035 -0.000 -6.128) 6.457 1.535 ( 1.267 0.000 -1.617) 2.054 1.551 ( 0.810 0.000 2.428) 2.560 1.731 ( 3.749 0.000 1.571) 4.065 1.765 ( -3.443 -0.000 1.035) 3.596 1.801 ( 0.350 0.000 -1.170) 1.221 1.823 ( -1.730 -0.000 -2.195) 2.795 2.175 ( -6.431 -0.000 2.967) 7.082 2.177 ( 2.053 0.000 -7.086) 7.378 2.271 ( 5.218 0.000 -2.736) 5.891 2.324 ( 3.153 0.000 -1.587) 3.530 2.363 ( 10.919 0.000 -2.635) 11.232 2.414 ( -0.454 -0.000 -3.035) 3.069 2.512 ( 4.845 0.000 -1.782) 5.162 2.542 ( -1.178 -0.000 2.146) 2.448 2.560 ( 2.507 0.000 3.079) 3.971 2.786 ( 5.774 0.000 -5.526) 7.992 2.848 ( -2.936 -0.000 0.950) 3.086 2.900 ( -4.893 -0.000 -0.192) 4.896 2.943 ( -1.447 -0.000 -0.864) 1.685 2.986 ( -5.798 -0.000 1.162) 5.913 3.008 ( 4.137 0.000 -1.747) 4.491 3.104 ( 0.588 0.000 -1.909) 1.997 3.359 ( -1.189 -0.000 -2.595) 2.854 3.419 ( 0.364 0.000 -1.787) 1.824 3.512 ( 7.697 0.000 0.346) 7.705 3.651 ( -1.718 -0.000 -2.093) 2.708 3.730 ( -3.106 -0.000 2.497) 3.986 3.744 ( 0.337 0.000 1.664) 1.698 4.216 ( -1.545 -0.000 2.461) 2.906 4.363 ( 1.500 0.000 -0.467) 1.571 4.373 ( 0.034 0.000 -0.093) 0.099 4.399 ( 1.699 0.000 -0.438) 1.755 4.775 ( 1.002 0.000 3.577) 3.715 4.980 ( -1.478 -0.000 -2.117) 2.582 5.595 ( -0.559 -0.000 0.409) 0.692 5.607 ( 0.901 0.000 -0.166) 0.916 5.897 ( -5.775 -0.000 2.015) 6.116 6.162 ( 4.390 0.000 -5.646) 7.152 7.006 ( -1.036 -0.000 -1.260) 1.632 7.027 ( 1.444 0.000 -1.493) 2.077 7.176 ( -3.186 -0.000 1.093) 3.368 7.243 ( 1.709 0.000 -1.346) 2.175 7.367 ( -6.257 -0.000 0.533) 6.280 7.386 ( 3.401 0.000 -0.410) 3.425 7.512 ( -5.691 -0.000 5.065) 7.618 7.696 ( -1.500 -0.000 1.671) 2.246 7.738 ( -0.193 -0.000 1.275) 1.289 7.826 ( 3.030 0.000 -4.906) 5.767 7.981 ( 0.018 0.000 0.089) 0.091 8.018 ( -0.123 -0.000 -0.680) 0.691 8.136 ( -2.731 -0.000 2.388) 3.627 8.303 ( 3.413 0.000 -2.985) 4.534 8.549 ( 1.390 0.000 1.091) 1.768 8.567 ( -1.627 -0.000 0.666) 1.758 9.712 ( -0.024 -0.000 1.322) 1.322 9.807 ( -1.730 -0.000 2.370) 2.934 9.824 ( 0.913 0.000 -1.408) 1.678 9.965 ( 1.837 0.000 -2.895) 3.429 11.902 ( 0.344 0.000 2.192) 2.219 11.976 ( -0.327 -0.000 0.112) 0.346 13.568 ( 1.818 0.000 -0.744) 1.964 13.595 ( -3.458 -0.000 -1.965) 3.978 14.085 ( -0.728 -0.000 2.297) 2.409 14.186 ( 0.959 0.000 -1.098) 1.458 14.740 ( -3.715 -0.000 -0.042) 3.715 14.747 ( 0.141 0.000 -0.221) 0.262 ======================= Grid point 101 (46/100) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 2.078 -4.327 9.475) 10.621 0.926 ( 0.906 -6.180 14.342) 15.643 1.222 ( 4.838 7.501 -0.442) 8.937 1.315 ( -5.552 1.578 2.412) 6.256 1.465 ( 2.931 -3.275 -3.469) 5.599 1.518 ( -0.084 0.794 0.382) 0.885 1.615 ( 2.183 -0.274 3.072) 3.779 1.653 ( -0.541 -5.461 9.041) 10.576 1.734 ( 0.276 -0.407 -1.715) 1.784 1.771 ( 0.292 -0.746 -1.831) 1.999 1.823 ( 2.367 -3.620 4.664) 6.361 1.832 ( -0.044 -2.478 -2.253) 3.349 2.047 ( -0.920 5.760 -3.016) 6.566 2.143 ( -5.603 0.842 2.841) 6.338 2.261 ( 1.098 0.923 -0.906) 1.697 2.336 ( -0.289 1.950 -1.626) 2.555 2.376 ( 2.529 0.830 -0.157) 2.667 2.418 ( 2.818 -0.580 -2.579) 3.864 2.507 ( -1.139 2.508 2.738) 3.884 2.519 ( 0.803 -1.109 -3.367) 3.634 2.653 ( 2.260 -1.421 1.041) 2.865 2.758 ( 4.183 2.544 -4.646) 6.749 2.814 ( 1.263 2.272 -1.804) 3.164 2.885 ( -5.067 -2.607 0.739) 5.746 2.917 ( 0.253 -0.788 -2.314) 2.458 2.956 ( -4.240 -1.991 1.631) 4.960 3.067 ( 1.587 -2.851 -1.399) 3.550 3.122 ( 0.712 -3.021 -2.062) 3.726 3.320 ( -1.195 1.194 -0.649) 1.810 3.390 ( -0.515 1.024 -1.262) 1.705 3.519 ( 1.977 5.489 1.907) 6.138 3.617 ( 1.538 -0.333 -3.196) 3.563 3.776 ( 1.014 -1.383 1.213) 2.101 3.797 ( -0.326 -5.370 -0.675) 5.422 4.204 ( -1.909 1.688 2.986) 3.925 4.342 ( 1.528 3.031 0.934) 3.521 4.380 ( 1.185 -0.681 -0.841) 1.605 4.440 ( 2.281 -1.951 -1.923) 3.564 4.821 ( 1.200 0.186 3.919) 4.103 4.933 ( -1.982 0.832 -2.721) 3.467 5.591 ( -0.743 -0.059 0.336) 0.818 5.620 ( 0.644 -0.553 -0.460) 0.966 5.864 ( -4.803 0.462 2.903) 5.632 6.156 ( 4.552 -0.175 -5.324) 7.007 6.983 ( -1.193 -0.079 -0.224) 1.216 7.042 ( 1.279 -1.012 -1.455) 2.185 7.158 ( -2.941 -0.430 1.090) 3.166 7.246 ( -1.243 -1.089 -0.283) 1.676 7.314 ( -1.931 1.424 0.522) 2.455 7.414 ( 3.324 0.466 -0.012) 3.357 7.521 ( -3.510 -0.146 5.630) 6.636 7.691 ( -1.855 0.269 1.547) 2.430 7.747 ( -0.307 0.020 0.615) 0.688 7.797 ( 2.291 1.125 -4.460) 5.139 7.970 ( -0.260 1.218 0.949) 1.565 8.021 ( -0.264 -1.168 -1.240) 1.724 8.132 ( -2.266 0.095 2.413) 3.311 8.311 ( 3.541 -0.134 -3.043) 4.671 8.552 ( -1.601 0.367 0.340) 1.678 8.572 ( 1.526 0.269 0.894) 1.789 9.742 ( -0.132 -1.725 1.291) 2.159 9.812 ( -0.766 -0.039 0.965) 1.233 9.823 ( -0.128 -0.683 -0.684) 0.976 9.937 ( 0.532 1.426 -2.497) 2.924 11.925 ( 0.245 0.015 2.104) 2.118 11.969 ( -0.744 0.088 -0.400) 0.849 13.529 ( -4.170 1.301 -0.213) 4.374 13.584 ( 1.743 -0.315 -0.406) 1.818 14.085 ( -1.070 1.010 2.339) 2.763 14.200 ( 0.867 -1.521 -2.141) 2.766 14.731 ( 0.114 -0.311 0.533) 0.627 14.755 ( 0.984 -0.418 0.007) 1.069 ======================= Grid point 102 (47/100) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 1.495 -4.160 -1.474) 4.660 1.144 ( 1.376 -5.994 4.002) 7.337 1.179 ( 9.531 5.669 5.404) 12.336 1.309 ( -2.637 -0.894 8.449) 8.897 1.459 ( 3.578 0.331 -7.697) 8.494 1.542 ( 0.661 -0.312 -0.827) 1.104 1.625 ( 0.043 0.494 -0.040) 0.498 1.688 ( 1.296 2.587 1.606) 3.309 1.730 ( -0.984 -0.002 -4.669) 4.771 1.762 ( 5.481 2.972 -2.674) 6.784 1.797 ( -2.105 0.895 -3.046) 3.809 1.930 ( 4.670 -3.858 -1.059) 6.150 2.052 ( -4.141 -2.060 4.530) 6.474 2.145 ( -2.080 -2.045 5.542) 6.263 2.265 ( -1.528 -1.891 0.354) 2.457 2.281 ( -2.391 1.246 1.422) 3.048 2.349 ( -3.128 2.832 1.079) 4.355 2.416 ( 1.694 0.499 -0.660) 1.885 2.483 ( -1.998 1.387 1.598) 2.910 2.541 ( 2.103 -2.484 -2.553) 4.136 2.657 ( 0.486 0.989 -2.262) 2.517 2.724 ( 4.574 2.146 -3.707) 6.266 2.786 ( 0.402 1.344 1.246) 1.876 2.879 ( -5.193 -2.246 1.289) 5.803 2.930 ( 2.434 -0.804 -2.376) 3.495 2.998 ( -3.365 -4.897 2.269) 6.360 3.086 ( 0.325 -0.467 -2.316) 2.385 3.154 ( -0.584 -2.126 -0.225) 2.216 3.280 ( -1.523 1.709 -0.317) 2.311 3.355 ( -0.314 1.264 -0.907) 1.587 3.480 ( -0.485 1.849 2.620) 3.244 3.628 ( 3.705 -1.574 -3.698) 5.466 3.798 ( 0.363 0.995 1.138) 1.555 3.857 ( 0.775 -3.590 -2.365) 4.368 4.199 ( -1.861 0.312 3.555) 4.025 4.322 ( 0.263 2.846 2.503) 3.799 4.387 ( 2.951 0.178 -2.844) 4.102 4.464 ( 2.207 -1.148 -2.350) 3.422 4.852 ( 0.021 1.315 2.342) 2.686 4.875 ( -1.037 0.939 -1.478) 2.035 5.591 ( -0.490 -0.363 0.237) 0.655 5.625 ( 0.323 -0.128 -0.475) 0.589 5.849 ( -4.395 -0.252 4.024) 5.965 6.155 ( 4.499 -0.143 -4.920) 6.668 6.983 ( -1.690 -1.117 0.770) 2.167 7.053 ( 0.512 -0.398 -0.102) 0.657 7.156 ( -2.123 -1.046 0.649) 2.454 7.257 ( -2.122 -2.336 0.463) 3.190 7.290 ( 1.458 1.345 -0.966) 2.206 7.428 ( 2.768 1.604 -0.147) 3.202 7.543 ( -2.814 -0.016 4.895) 5.646 7.684 ( -1.068 0.184 0.652) 1.264 7.739 ( -0.526 0.636 -0.213) 0.852 7.762 ( 1.363 0.697 -2.958) 3.330 7.959 ( -1.003 1.136 1.898) 2.429 8.023 ( -0.327 -1.226 -1.603) 2.045 8.137 ( -1.592 -0.089 2.585) 3.037 8.318 ( 3.399 -0.120 -3.010) 4.541 8.535 ( -1.198 0.309 0.218) 1.256 8.583 ( 1.315 0.766 0.372) 1.566 9.779 ( -0.341 -1.655 0.970) 1.948 9.812 ( -0.024 -0.102 -0.088) 0.137 9.831 ( -0.431 -0.925 -0.075) 1.023 9.893 ( 0.165 1.881 -1.529) 2.430 11.933 ( -1.039 0.581 0.284) 1.224 11.960 ( 0.336 0.079 0.406) 0.533 13.482 ( -3.498 0.298 1.031) 3.659 13.601 ( 1.632 -0.171 -0.429) 1.696 14.079 ( -1.487 0.810 2.117) 2.711 14.207 ( 1.395 -0.898 -2.602) 3.086 14.747 ( 0.792 -0.287 0.584) 1.025 14.776 ( 1.251 -0.542 0.192) 1.377 ======================= Grid point 103 (48/100) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -0.317 0.888 -4.795) 4.887 1.193 ( 7.082 3.486 3.162) 8.503 1.274 ( -0.504 2.665 3.070) 4.096 1.373 ( 2.062 0.622 -3.389) 4.016 1.437 ( 2.739 -0.026 -3.836) 4.714 1.506 ( 0.655 -0.002 1.717) 1.838 1.593 ( 0.736 1.236 -1.446) 2.039 1.684 ( -0.321 0.184 0.952) 1.021 1.719 ( 0.470 0.657 3.401) 3.496 1.749 ( 7.519 0.102 -3.905) 8.473 1.777 ( -0.620 -1.527 -0.558) 1.740 2.021 ( 4.372 -2.904 -2.439) 5.787 2.058 ( -4.635 -1.751 1.869) 5.296 2.122 ( -3.684 2.563 -1.220) 4.650 2.276 ( -4.406 -0.154 -1.196) 4.568 2.309 ( -2.468 -1.353 1.968) 3.434 2.334 ( 2.910 -2.276 3.342) 4.981 2.388 ( -3.814 2.894 1.867) 5.139 2.456 ( -1.452 1.189 1.616) 2.476 2.566 ( 0.319 -1.836 -3.016) 3.545 2.620 ( 3.267 1.776 -4.318) 5.699 2.714 ( 2.498 0.060 -0.512) 2.551 2.782 ( -4.823 0.788 4.763) 6.823 2.892 ( -1.636 -1.171 2.076) 2.891 2.931 ( 1.571 0.421 -2.238) 2.767 3.064 ( 0.675 -0.005 -1.780) 1.904 3.071 ( -1.657 -3.555 1.792) 4.312 3.170 ( -1.311 -0.441 0.875) 1.637 3.246 ( -0.326 0.063 -0.655) 0.734 3.330 ( -0.090 0.905 -0.787) 1.203 3.487 ( -0.792 -0.421 1.981) 2.174 3.661 ( 3.449 -2.024 -3.838) 5.543 3.776 ( -0.691 1.650 0.291) 1.812 3.897 ( 1.812 -1.942 -1.023) 2.846 4.215 ( -1.671 -0.525 2.263) 2.861 4.295 ( -1.847 2.412 2.642) 4.026 4.379 ( 2.991 0.971 -2.981) 4.333 4.488 ( 3.222 -1.186 -2.363) 4.167 4.811 ( -1.220 1.540 -0.810) 2.126 4.875 ( 0.381 0.641 1.680) 1.838 5.598 ( -0.141 -0.424 0.249) 0.512 5.624 ( 0.474 0.108 -0.393) 0.625 5.862 ( -4.389 -1.484 4.646) 6.562 6.157 ( 4.170 -0.357 -4.523) 6.162 6.996 ( -1.872 -1.442 1.110) 2.611 7.072 ( 0.068 -0.915 1.640) 1.879 7.153 ( -2.053 -0.521 0.251) 2.133 7.272 ( 2.209 1.297 -2.099) 3.312 7.286 ( -0.884 -2.287 0.142) 2.456 7.410 ( 1.739 2.700 -0.603) 3.268 7.550 ( -3.264 0.714 4.060) 5.258 7.676 ( -0.404 0.323 -0.131) 0.534 7.725 ( 0.174 -0.053 -0.324) 0.372 7.751 ( 1.028 -0.722 -2.040) 2.396 7.944 ( -1.960 1.305 1.975) 3.073 8.032 ( 0.115 -1.584 -1.077) 1.919 8.147 ( -1.685 0.097 2.573) 3.077 8.326 ( 3.306 -0.170 -2.854) 4.371 8.529 ( -0.621 -0.392 0.590) 0.943 8.578 ( 0.860 1.251 -0.145) 1.524 9.802 ( -0.096 -0.427 0.431) 0.614 9.815 ( 0.191 -0.188 -0.124) 0.295 9.838 ( -0.087 -0.114 -0.266) 0.302 9.863 ( 0.407 0.229 -0.477) 0.668 11.903 ( -1.239 0.912 -0.825) 1.746 11.971 ( 0.797 0.342 0.819) 1.193 13.469 ( -2.720 -0.682 1.770) 3.316 13.609 ( 1.445 0.359 -0.743) 1.664 14.067 ( -2.043 0.662 1.580) 2.667 14.215 ( 2.551 -0.664 -2.285) 3.489 14.760 ( 0.225 0.010 0.597) 0.638 14.796 ( 0.463 -0.684 0.238) 0.860 ======================= Grid point 104 (49/100) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -2.329 5.914 -2.218) 6.732 1.090 ( -4.251 13.516 -0.363) 14.174 1.248 ( 6.706 3.778 4.789) 9.066 1.350 ( 1.815 -1.802 -6.164) 6.673 1.419 ( -0.443 0.095 -1.738) 1.796 1.557 ( 0.111 1.493 3.310) 3.633 1.589 ( 1.574 -1.815 0.658) 2.491 1.694 ( 0.600 -0.427 2.782) 2.877 1.765 ( 2.587 -0.212 -0.891) 2.744 1.791 ( -0.295 -0.764 3.265) 3.366 1.839 ( 4.083 -4.601 -3.932) 7.301 1.990 ( -4.704 0.835 -1.061) 4.894 2.062 ( -1.613 1.713 2.658) 3.550 2.096 ( -9.002 6.452 -3.664) 11.666 2.135 ( 3.350 -1.728 -1.989) 4.262 2.299 ( -2.350 1.781 2.258) 3.714 2.341 ( -0.602 1.021 -0.472) 1.276 2.434 ( -0.317 1.386 1.616) 2.152 2.452 ( 1.202 -3.758 2.732) 4.799 2.547 ( -1.173 -0.590 -4.097) 4.302 2.590 ( 2.863 0.557 -4.326) 5.217 2.743 ( -5.917 -0.843 5.388) 8.047 2.775 ( 0.810 -1.814 0.140) 1.991 2.901 ( -1.121 0.936 1.476) 2.076 2.926 ( 2.824 0.637 -0.462) 2.932 3.053 ( 2.394 0.774 -1.650) 3.008 3.131 ( -0.807 -1.925 1.842) 2.784 3.155 ( -0.142 1.599 0.244) 1.624 3.267 ( 0.384 -1.792 0.494) 1.898 3.309 ( 0.344 -0.257 -1.537) 1.595 3.506 ( -0.773 -1.068 0.802) 1.544 3.675 ( 1.520 -0.654 -2.816) 3.266 3.762 ( 0.828 -0.867 -1.834) 2.191 3.936 ( 1.413 -0.509 1.070) 1.844 4.210 ( -1.434 0.899 0.102) 1.695 4.267 ( -3.108 0.402 2.271) 3.870 4.367 ( 1.764 0.660 -1.395) 2.343 4.507 ( 3.551 0.169 -2.991) 4.646 4.773 ( -1.007 1.823 0.422) 2.125 4.899 ( 0.637 -1.706 1.153) 2.156 5.600 ( -0.214 0.058 -0.012) 0.222 5.629 ( 1.146 0.002 -0.290) 1.182 5.894 ( -4.539 -2.465 4.225) 6.674 6.163 ( 3.970 -0.680 -4.381) 5.951 7.009 ( -1.749 -1.069 0.683) 2.161 7.112 ( 0.290 -1.287 2.074) 2.458 7.140 ( -2.194 -0.318 0.376) 2.249 7.253 ( 2.467 1.106 -2.341) 3.576 7.311 ( -0.066 -1.021 0.248) 1.053 7.373 ( 0.632 2.104 -0.655) 2.292 7.535 ( -4.158 0.990 3.841) 5.747 7.667 ( -0.610 0.019 0.328) 0.693 7.742 ( 0.614 -1.028 0.128) 1.205 7.766 ( 2.330 -1.960 -2.721) 4.083 7.922 ( -2.186 0.801 1.831) 2.962 8.051 ( 0.569 -1.093 -0.787) 1.462 8.147 ( -2.397 0.306 2.505) 3.481 8.330 ( 2.975 0.173 -2.975) 4.211 8.543 ( -0.499 -0.779 0.969) 1.340 8.559 ( 0.280 1.273 -0.374) 1.356 9.791 ( 0.008 1.773 0.407) 1.819 9.816 ( 0.622 0.055 -0.769) 0.991 9.845 ( 0.065 -0.868 0.397) 0.957 9.877 ( 1.349 -0.760 -0.717) 1.706 11.874 ( -0.563 0.728 -0.339) 0.981 11.977 ( 0.752 0.625 0.571) 1.132 13.483 ( -2.006 -1.395 2.293) 3.351 13.603 ( 1.187 0.909 -1.012) 1.805 14.052 ( -2.025 0.280 1.336) 2.442 14.231 ( 3.380 -0.171 -2.243) 4.060 14.763 ( -0.528 0.111 0.498) 0.734 14.811 ( -1.064 -1.224 0.197) 1.634 ======================= Grid point 105 (50/100) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -4.767 8.678 6.263) 11.716 0.826 ( -7.484 13.530 5.467) 16.400 1.249 ( 2.488 3.304 -0.884) 4.230 1.347 ( -1.781 0.414 0.485) 1.892 1.420 ( 1.362 -1.040 0.949) 1.959 1.564 ( -1.493 3.331 3.857) 5.310 1.621 ( -0.594 1.904 1.806) 2.691 1.704 ( -1.269 2.599 1.584) 3.297 1.753 ( -6.936 3.605 -3.963) 8.765 1.768 ( -5.766 7.758 7.116) 12.003 1.831 ( 0.681 -0.604 -0.393) 0.991 1.862 ( 0.822 -1.516 0.248) 1.743 2.002 ( -0.615 -2.784 -1.337) 3.149 2.117 ( 3.890 -3.247 -0.245) 5.073 2.171 ( -0.560 -1.249 -1.355) 1.926 2.275 ( 2.711 2.387 -2.017) 4.137 2.328 ( 3.269 -0.355 -1.116) 3.472 2.419 ( -3.469 -1.888 1.697) 4.299 2.498 ( -1.513 0.671 -2.802) 3.254 2.541 ( 2.739 -1.479 0.428) 3.142 2.566 ( 3.037 1.281 -4.296) 5.414 2.749 ( -4.028 -2.144 2.020) 4.990 2.837 ( 1.257 -3.716 -1.915) 4.366 2.887 ( 0.298 0.672 1.574) 1.737 2.943 ( 1.378 1.518 2.778) 3.452 3.037 ( 0.514 2.399 -0.469) 2.498 3.112 ( 0.099 1.511 0.072) 1.516 3.166 ( 1.710 0.365 -0.833) 1.936 3.279 ( -0.759 -0.143 1.068) 1.318 3.347 ( 1.416 -3.435 -1.132) 3.884 3.516 ( -0.548 -1.231 -1.559) 2.061 3.668 ( 0.768 -0.177 -2.411) 2.536 3.772 ( 1.141 -0.666 -1.808) 2.239 3.934 ( 0.605 3.543 0.086) 3.595 4.174 ( -2.589 0.534 0.871) 2.784 4.275 ( -2.104 -2.539 1.124) 3.484 4.365 ( 1.240 0.615 -0.076) 1.386 4.492 ( 2.712 1.982 -3.038) 4.529 4.744 ( -0.707 1.395 1.265) 2.011 4.955 ( 0.521 -2.814 0.673) 2.940 5.596 ( -0.285 0.095 0.185) 0.353 5.631 ( 1.478 0.763 -0.905) 1.894 5.924 ( -5.142 -2.655 2.875) 6.462 6.172 ( 4.186 -0.655 -4.737) 6.355 7.008 ( -1.300 -0.547 -0.315) 1.445 7.106 ( 0.019 1.406 -1.428) 2.004 7.169 ( -1.417 -1.914 2.484) 3.441 7.244 ( 2.643 0.706 -1.888) 3.324 7.332 ( -1.091 -1.464 2.054) 2.748 7.354 ( 0.467 0.129 -0.389) 0.621 7.521 ( -5.003 -0.428 4.136) 6.505 7.672 ( -0.624 -0.506 1.024) 1.301 7.753 ( -0.613 0.049 0.262) 0.668 7.803 ( 3.165 -2.238 -3.428) 5.174 7.922 ( -0.819 -1.141 1.338) 1.940 8.057 ( 0.911 0.385 -0.984) 1.395 8.141 ( -3.111 -0.081 2.626) 4.072 8.320 ( 2.569 0.696 -3.163) 4.134 8.535 ( 0.295 1.029 -0.155) 1.082 8.563 ( -1.040 -0.836 1.070) 1.710 9.765 ( -0.243 2.056 0.846) 2.237 9.811 ( 0.868 0.298 -1.149) 1.471 9.854 ( 0.119 0.233 -0.835) 0.875 9.902 ( 2.689 -0.928 -0.241) 2.855 11.867 ( 0.155 0.246 0.791) 0.843 11.977 ( 0.540 0.632 0.441) 0.941 13.519 ( -1.059 -2.295 2.304) 3.420 13.589 ( 0.762 0.829 -0.703) 1.327 14.046 ( -1.623 -0.129 1.567) 2.260 14.238 ( 3.714 0.931 -2.747) 4.712 14.758 ( -0.879 -0.031 0.231) 0.909 14.818 ( -3.445 -2.176 -0.380) 4.092 ======================= Grid point 106 (51/100) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -8.166 7.105 13.078) 16.976 0.677 ( -6.342 5.420 16.810) 18.766 1.204 ( -5.592 -0.854 1.616) 5.883 1.322 ( -3.041 6.517 16.047) 17.585 1.420 ( -4.872 7.704 3.163) 9.648 1.473 ( 0.493 -2.542 -0.599) 2.658 1.563 ( 0.767 4.846 2.541) 5.525 1.633 ( -3.408 2.389 -6.646) 7.841 1.689 ( 2.813 2.535 3.869) 5.413 1.755 ( -2.518 -2.231 2.742) 4.341 1.818 ( -1.229 0.345 -1.596) 2.044 1.883 ( -2.503 0.360 -0.764) 2.642 2.083 ( 5.454 -4.831 2.056) 7.571 2.186 ( 3.125 -1.769 2.648) 4.462 2.205 ( 1.001 -2.904 -3.940) 4.996 2.268 ( 4.464 -0.513 -0.760) 4.557 2.352 ( 5.918 1.149 -4.549) 7.552 2.436 ( -1.665 -0.347 -2.595) 3.103 2.472 ( -0.392 -2.149 2.238) 3.127 2.530 ( 3.636 2.653 -2.742) 5.270 2.569 ( 1.826 1.240 0.690) 2.313 2.767 ( 1.552 -1.750 -2.434) 3.376 2.853 ( -1.742 -1.563 -0.482) 2.389 2.928 ( -0.336 -1.444 0.593) 1.597 2.944 ( -1.260 0.569 1.982) 2.416 2.991 ( -1.055 1.875 0.399) 2.188 3.081 ( -0.782 2.130 -1.753) 2.867 3.145 ( 1.709 2.655 -2.759) 4.193 3.322 ( 1.849 -3.779 2.200) 4.748 3.390 ( 0.407 -1.841 -1.264) 2.270 3.499 ( 0.470 0.149 -3.920) 3.951 3.661 ( -0.336 -1.263 -1.621) 2.082 3.756 ( -0.164 1.999 -0.113) 2.009 3.825 ( -1.290 7.768 -0.360) 7.882 4.185 ( -2.003 -1.993 2.836) 4.003 4.322 ( -0.433 -3.676 0.202) 3.707 4.364 ( 0.770 0.899 0.374) 1.242 4.443 ( 1.550 3.308 -2.059) 4.194 4.744 ( 0.111 0.448 2.523) 2.565 4.993 ( -0.418 -1.457 -0.776) 1.703 5.594 ( -0.417 0.051 0.358) 0.552 5.616 ( 1.139 1.358 -0.863) 1.971 5.927 ( -5.996 -1.535 1.770) 6.437 6.173 ( 4.423 -0.123 -5.570) 7.114 7.005 ( -0.547 -0.972 -0.758) 1.348 7.062 ( 0.451 2.058 -2.010) 2.912 7.189 ( -2.437 -0.599 1.424) 2.886 7.241 ( 2.630 0.718 -1.640) 3.181 7.361 ( 3.190 -0.077 -1.093) 3.373 7.379 ( -4.743 -3.445 2.400) 6.335 7.526 ( -6.982 -2.004 3.623) 8.117 7.686 ( -0.744 -0.573 1.453) 1.730 7.739 ( -0.846 0.916 0.977) 1.584 7.827 ( 3.124 -1.351 -4.297) 5.481 7.959 ( 0.209 -2.006 0.445) 2.066 8.039 ( 0.504 1.350 -0.909) 1.704 8.139 ( -3.062 -0.251 2.538) 3.986 8.305 ( 2.783 0.533 -3.084) 4.188 8.531 ( 0.865 0.281 0.602) 1.091 8.571 ( -1.460 -0.419 0.917) 1.774 9.730 ( -0.092 2.524 0.227) 2.536 9.805 ( -0.483 0.312 0.798) 0.984 9.834 ( 0.351 0.913 -0.784) 1.254 9.947 ( 3.399 -1.345 -1.368) 3.903 11.880 ( 0.393 0.024 1.742) 1.786 11.976 ( 0.158 0.313 0.357) 0.501 13.560 ( 1.570 -0.470 -0.921) 1.880 13.596 ( -1.266 -2.659 0.543) 2.995 14.058 ( -0.947 -0.742 2.307) 2.602 14.215 ( 2.502 2.412 -2.593) 4.336 14.751 ( -0.681 -0.026 -0.134) 0.694 14.795 ( -6.170 -1.444 -1.627) 6.542 ======================= Grid point 108 (52/100) ======================= q-point: ( 0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -1.808 -0.000 8.901) 9.083 1.016 ( 3.063 0.000 12.133) 12.514 1.298 ( 1.929 0.000 -4.674) 5.056 1.333 ( 7.230 0.000 -3.107) 7.869 1.497 ( 1.645 0.000 7.782) 7.954 1.510 ( -0.369 -0.000 -1.897) 1.932 1.660 ( 0.820 0.000 -5.313) 5.376 1.685 ( -1.311 -0.000 4.768) 4.945 1.722 ( 2.414 0.000 4.694) 5.279 1.750 ( 2.989 0.000 -6.149) 6.837 1.795 ( 0.641 0.000 7.477) 7.505 1.868 ( 3.666 0.000 1.655) 4.023 2.081 ( -1.302 -0.000 -0.596) 1.432 2.097 ( -6.922 -0.000 2.904) 7.507 2.269 ( 0.116 0.000 -4.413) 4.414 2.325 ( -1.696 -0.000 -1.942) 2.578 2.376 ( -0.689 -0.000 -0.087) 0.695 2.405 ( 0.971 0.000 -1.506) 1.791 2.486 ( 1.868 0.000 -3.370) 3.854 2.519 ( -1.181 -0.000 -1.647) 2.027 2.679 ( -0.982 -0.000 3.760) 3.887 2.765 ( 4.107 0.000 -8.494) 9.435 2.797 ( -7.270 -0.000 3.047) 7.883 2.858 ( 3.635 0.000 -2.142) 4.219 2.871 ( 0.967 0.000 -3.024) 3.175 2.926 ( -3.939 -0.000 2.574) 4.706 3.050 ( 2.231 0.000 -0.787) 2.366 3.088 ( 0.592 0.000 -0.870) 1.052 3.313 ( -2.295 -0.000 1.091) 2.541 3.381 ( -0.406 -0.000 -1.048) 1.124 3.558 ( -1.365 -0.000 -4.015) 4.241 3.658 ( 5.463 0.000 -0.346) 5.474 3.725 ( -1.418 -0.000 1.430) 2.014 3.801 ( 2.136 0.000 1.790) 2.787 4.225 ( -1.276 -0.000 1.839) 2.239 4.375 ( 0.885 0.000 -1.238) 1.522 4.389 ( 0.712 0.000 0.622) 0.945 4.443 ( 4.988 0.000 -1.688) 5.266 4.873 ( 1.043 0.000 4.154) 4.283 4.890 ( -2.103 -0.000 -3.239) 3.861 5.583 ( -1.010 -0.000 0.078) 1.013 5.621 ( 0.786 0.000 -0.248) 0.825 5.853 ( -4.162 -0.000 3.440) 5.400 6.152 ( 4.334 0.000 -4.333) 6.129 6.965 ( -1.123 -0.000 -0.573) 1.261 7.039 ( 1.788 0.000 -0.942) 2.021 7.134 ( -3.282 -0.000 1.311) 3.534 7.214 ( -3.478 -0.000 0.914) 3.596 7.319 ( 0.527 0.000 -0.500) 0.727 7.453 ( 3.012 0.000 0.589) 3.069 7.543 ( -2.945 -0.000 5.815) 6.518 7.687 ( -2.771 -0.000 2.069) 3.459 7.749 ( -0.154 -0.000 -0.113) 0.191 7.787 ( 2.235 0.000 -4.288) 4.835 7.987 ( -0.237 -0.000 0.598) 0.643 7.996 ( -0.542 -0.000 -0.883) 1.036 8.134 ( -1.777 -0.000 2.228) 2.850 8.318 ( 3.715 0.000 -3.031) 4.795 8.542 ( -1.658 -0.000 0.113) 1.662 8.597 ( 1.538 0.000 0.743) 1.708 9.741 ( -0.190 -0.000 1.704) 1.715 9.804 ( 0.564 0.000 -2.148) 2.221 9.814 ( -2.001 -0.000 2.229) 2.995 9.930 ( 0.350 0.000 -2.261) 2.288 11.945 ( -0.052 -0.000 1.817) 1.818 11.957 ( -0.900 -0.000 -0.764) 1.181 13.493 ( -4.389 -0.000 -0.050) 4.389 13.596 ( 1.472 0.000 0.152) 1.480 14.104 ( -1.023 -0.000 1.795) 2.066 14.176 ( 0.489 0.000 -1.556) 1.631 14.743 ( 1.834 0.000 0.330) 1.864 14.769 ( 1.824 0.000 0.712) 1.958 ======================= Grid point 109 (53/100) ======================= q-point: ( 0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -2.776 -1.136 4.124) 5.099 1.144 ( 1.907 -1.754 4.927) 5.567 1.305 ( 6.887 -1.026 0.189) 6.965 1.384 ( 7.963 0.775 -6.156) 10.095 1.507 ( 1.015 1.050 2.756) 3.119 1.526 ( 1.404 2.589 0.968) 3.101 1.611 ( -1.234 -1.572 -1.114) 2.288 1.683 ( 0.441 0.446 -2.305) 2.389 1.729 ( 1.553 -1.175 -0.483) 2.006 1.790 ( 1.090 2.653 -0.790) 2.975 1.855 ( 4.152 3.286 1.742) 5.574 1.921 ( 3.130 -1.732 1.719) 3.969 2.038 ( -3.759 0.181 1.818) 4.180 2.133 ( -1.289 -2.677 2.679) 4.001 2.210 ( -3.646 -1.215 -1.601) 4.163 2.264 ( -4.451 0.082 -0.849) 4.532 2.354 ( -2.282 1.383 -0.648) 2.746 2.415 ( 0.488 -0.779 -0.787) 1.210 2.494 ( 0.866 -1.540 -2.847) 3.350 2.505 ( 1.828 0.094 -1.344) 2.271 2.649 ( -1.872 1.657 -1.226) 2.785 2.725 ( 0.208 -0.084 -2.584) 2.593 2.792 ( -4.998 -2.411 1.996) 5.897 2.849 ( 4.183 1.709 -1.195) 4.674 2.904 ( 1.525 -2.342 -0.474) 2.835 2.938 ( -2.387 -2.045 2.281) 3.884 3.064 ( 0.979 -0.477 -1.413) 1.784 3.106 ( -0.007 -2.179 -0.424) 2.220 3.291 ( -2.645 1.526 1.565) 3.432 3.361 ( -0.507 0.847 -0.383) 1.059 3.514 ( 0.274 0.290 -2.645) 2.675 3.647 ( 2.598 2.725 -0.018) 3.765 3.776 ( 0.128 -3.554 -1.068) 3.714 3.839 ( 1.776 -0.029 1.849) 2.564 4.223 ( -1.357 0.870 2.498) 2.973 4.364 ( -0.014 0.657 -1.096) 1.278 4.405 ( 3.044 -0.298 -0.802) 3.162 4.464 ( 4.133 1.023 -2.234) 4.809 4.840 ( -1.564 0.313 -2.786) 3.210 4.910 ( 0.198 0.697 3.464) 3.539 5.578 ( -0.731 -0.482 -0.040) 0.876 5.625 ( 0.648 -0.030 -0.397) 0.760 5.848 ( -3.937 0.272 4.491) 5.979 6.156 ( 4.088 0.121 -3.677) 5.500 6.958 ( -1.093 -0.672 0.326) 1.324 7.051 ( 1.204 -0.472 -0.443) 1.367 7.123 ( -2.800 -0.806 1.224) 3.160 7.205 ( -3.068 -1.665 1.276) 3.717 7.314 ( 1.365 0.862 -1.011) 1.905 7.475 ( 2.136 1.012 0.262) 2.378 7.566 ( -2.699 0.233 5.213) 5.875 7.680 ( -2.416 0.016 1.927) 3.091 7.738 ( 0.297 0.362 -1.557) 1.626 7.764 ( 1.325 1.014 -2.358) 2.889 7.982 ( -0.636 0.615 1.042) 1.367 7.990 ( -0.409 -0.664 -1.049) 1.307 8.142 ( -1.237 -0.197 2.214) 2.544 8.325 ( 3.624 0.056 -2.913) 4.650 8.526 ( -1.361 0.054 0.006) 1.362 8.611 ( 1.304 0.582 0.297) 1.458 9.762 ( -0.461 -1.100 1.159) 1.664 9.796 ( 0.580 -0.779 -1.906) 2.139 9.817 ( -1.839 -0.317 1.772) 2.573 9.906 ( 0.381 1.071 -1.584) 1.949 11.931 ( -1.050 0.783 -0.808) 1.539 11.964 ( -0.061 -0.619 0.813) 1.024 13.457 ( -3.684 -0.080 0.975) 3.812 13.612 ( 1.148 -0.081 0.151) 1.160 14.099 ( -1.178 1.070 1.520) 2.201 14.178 ( 0.899 -1.288 -1.927) 2.486 14.765 ( 1.935 0.110 0.260) 1.956 14.795 ( 1.754 0.301 1.215) 2.155 ======================= Grid point 110 (54/100) ======================= q-point: ( 0.43 0.14 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -1.113 0.232 -0.760) 1.368 1.215 ( -0.208 -1.942 2.372) 3.072 1.333 ( 5.743 1.893 -9.387) 11.166 1.424 ( 5.896 -3.036 -0.700) 6.668 1.472 ( 1.839 3.761 -3.288) 5.323 1.535 ( 1.621 2.379 4.015) 4.940 1.628 ( 1.750 3.144 -0.783) 3.682 1.683 ( 0.331 -1.512 2.601) 3.027 1.736 ( 0.240 -0.952 -0.186) 0.999 1.774 ( 0.542 -0.025 2.859) 2.910 1.828 ( 5.164 4.568 -2.915) 7.486 1.989 ( -4.381 -1.184 2.918) 5.396 2.011 ( 3.509 -1.730 -2.657) 4.729 2.120 ( -1.346 2.250 -3.313) 4.225 2.203 ( -3.869 -2.671 0.493) 4.727 2.294 ( -3.994 -0.080 3.210) 5.124 2.316 ( -1.108 -3.917 1.651) 4.392 2.420 ( -0.334 0.464 1.373) 1.488 2.474 ( 0.255 2.120 -1.283) 2.491 2.508 ( 0.467 -2.105 -2.673) 3.435 2.635 ( 2.692 -0.768 -3.357) 4.371 2.696 ( -2.241 0.450 -1.138) 2.554 2.789 ( -4.319 0.514 3.594) 5.642 2.879 ( 2.444 -1.451 0.988) 3.010 2.934 ( 0.264 0.301 -1.420) 1.476 2.987 ( -3.465 -5.042 3.838) 7.222 3.064 ( 2.084 -0.175 -2.151) 3.000 3.139 ( -1.039 -2.280 0.210) 2.515 3.252 ( -1.224 1.539 0.812) 2.128 3.343 ( 0.106 0.955 -0.327) 1.015 3.501 ( 0.373 0.463 -0.179) 0.621 3.643 ( 2.823 0.019 -1.650) 3.269 3.795 ( 0.194 -0.004 -1.507) 1.520 3.874 ( 0.714 -1.026 1.659) 2.077 4.219 ( -2.159 0.492 2.708) 3.498 4.338 ( -0.572 1.386 -0.045) 1.500 4.417 ( 5.190 2.791 -3.139) 6.677 4.468 ( 2.106 -1.582 -2.004) 3.310 4.804 ( -0.630 0.271 -1.462) 1.615 4.914 ( -0.799 1.580 2.057) 2.714 5.585 ( -0.387 -0.894 -0.020) 0.974 5.628 ( 0.705 0.021 -0.431) 0.826 5.853 ( -4.097 -0.048 5.242) 6.653 6.157 ( 3.799 0.280 -3.491) 5.167 6.969 ( -1.293 -1.131 1.194) 2.092 7.071 ( 0.385 -0.914 0.906) 1.343 7.122 ( -2.513 -0.847 0.600) 2.719 7.232 ( -1.423 -2.927 0.777) 3.346 7.299 ( 1.688 1.296 -1.576) 2.648 7.461 ( 1.045 2.325 -0.869) 2.693 7.574 ( -3.177 0.969 4.423) 5.531 7.676 ( -1.434 0.112 1.200) 1.873 7.724 ( 1.306 0.049 -1.778) 2.207 7.739 ( 0.352 0.779 -1.199) 1.472 7.968 ( -1.094 1.411 1.325) 2.223 8.000 ( 0.200 -1.564 -0.496) 1.653 8.152 ( -1.527 -0.055 2.033) 2.543 8.332 ( 3.506 0.045 -2.696) 4.423 8.519 ( -0.806 -0.451 0.238) 0.954 8.608 ( 0.914 1.264 -0.155) 1.567 9.784 ( -0.561 -1.316 0.268) 1.456 9.806 ( 0.411 -1.136 -0.728) 1.410 9.824 ( -0.706 -0.832 0.552) 1.222 9.877 ( 0.212 1.394 -0.650) 1.553 11.899 ( -0.852 0.811 -0.901) 1.482 11.979 ( 0.007 -0.542 0.230) 0.589 13.446 ( -2.828 -0.779 1.808) 3.446 13.621 ( 0.975 0.162 -0.394) 1.064 14.078 ( -1.587 1.247 1.281) 2.391 14.198 ( 1.944 -1.611 -1.966) 3.200 14.778 ( 1.201 0.520 0.296) 1.342 14.808 ( 0.673 0.833 0.994) 1.461 ======================= Grid point 111 (55/100) ======================= q-point: (-0.43 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.111 2.753 -2.810) 3.936 1.232 ( -1.241 3.745 2.056) 4.449 1.301 ( 3.645 -0.942 -5.386) 6.572 1.364 ( 2.057 3.739 -4.779) 6.407 1.470 ( 4.268 3.351 1.405) 5.605 1.571 ( 2.751 -0.935 1.395) 3.223 1.589 ( -0.691 1.394 -0.823) 1.760 1.719 ( -0.247 0.615 -2.116) 2.217 1.745 ( -3.110 -1.875 0.760) 3.710 1.773 ( 5.198 -0.055 -2.993) 5.999 1.840 ( 1.134 -0.593 1.277) 1.808 1.963 ( -4.880 2.444 1.547) 5.673 2.051 ( 1.018 -1.497 -2.841) 3.369 2.052 ( 1.586 -1.230 -2.175) 2.960 2.205 ( 0.313 2.404 3.663) 4.393 2.303 ( -2.539 -0.389 3.349) 4.220 2.359 ( -2.106 0.171 1.388) 2.528 2.433 ( -1.154 -0.958 1.916) 2.433 2.456 ( -0.802 0.088 0.619) 1.017 2.508 ( 1.006 -0.278 -1.723) 2.015 2.601 ( 1.734 2.823 -3.004) 4.472 2.689 ( -3.897 -3.228 0.230) 5.066 2.769 ( -3.071 0.951 3.178) 4.520 2.905 ( -1.834 0.522 0.105) 1.909 2.941 ( 2.345 -1.825 0.406) 2.999 3.071 ( 2.893 -0.092 -2.086) 3.568 3.080 ( -1.609 -4.732 2.985) 5.822 3.157 ( -0.950 -0.945 0.171) 1.351 3.252 ( 0.630 -0.999 0.824) 1.440 3.321 ( 0.864 1.503 -1.136) 2.073 3.497 ( -0.728 0.125 0.601) 0.952 3.660 ( 2.828 -0.565 -2.516) 3.827 3.767 ( 0.211 1.797 -0.414) 1.856 3.917 ( 0.692 -2.477 -0.130) 2.575 4.211 ( -2.168 0.632 1.631) 2.785 4.306 ( -1.227 2.959 1.813) 3.681 4.381 ( 2.753 1.609 -2.924) 4.326 4.498 ( 2.887 -1.405 -3.298) 4.603 4.792 ( -0.023 0.489 0.271) 0.559 4.895 ( -1.062 0.407 0.719) 1.345 5.592 ( -0.318 -0.506 -0.199) 0.630 5.634 ( 1.001 -0.289 -0.394) 1.114 5.865 ( -4.439 -0.609 4.946) 6.673 6.158 ( 3.860 0.015 -3.628) 5.297 6.987 ( -1.539 -0.890 1.583) 2.380 7.107 ( -0.584 -1.583 2.359) 2.900 7.112 ( -1.825 -0.531 -0.170) 1.909 7.266 ( 1.031 -0.392 -1.352) 1.745 7.290 ( 1.210 -1.043 -0.554) 1.691 7.411 ( 0.178 2.840 -1.275) 3.118 7.555 ( -3.828 1.679 3.741) 5.610 7.671 ( -0.562 0.296 0.939) 1.134 7.730 ( -0.145 -0.515 -0.331) 0.629 7.737 ( 2.671 -1.318 -2.235) 3.724 7.942 ( -1.596 1.697 1.726) 2.899 8.030 ( 0.747 -1.603 -0.045) 1.769 8.149 ( -2.252 0.306 1.796) 2.897 8.337 ( 3.133 0.302 -2.836) 4.237 8.529 ( -0.632 -1.017 0.555) 1.320 8.586 ( 0.471 1.765 -0.483) 1.890 9.795 ( -0.341 -0.746 -0.526) 0.974 9.824 ( 0.735 -0.307 0.036) 0.798 9.836 ( -0.192 -0.511 0.117) 0.558 9.862 ( 0.191 -0.415 -0.437) 0.632 11.878 ( -0.170 0.423 -0.202) 0.499 11.985 ( -0.080 -0.291 -0.174) 0.348 13.459 ( -2.131 -1.417 2.298) 3.439 13.617 ( 0.894 0.610 -1.016) 1.485 14.058 ( -1.590 0.893 1.530) 2.380 14.225 ( 2.618 -1.368 -2.395) 3.803 14.775 ( 0.177 0.980 0.446) 1.091 14.802 ( -0.480 0.720 0.335) 0.927 ======================= Grid point 112 (56/100) ======================= q-point: (-0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -0.158 3.608 1.599) 3.949 1.076 ( 1.163 14.390 2.213) 14.606 1.270 ( -0.162 2.833 -3.489) 4.497 1.377 ( -0.275 -2.034 0.626) 2.146 1.460 ( 4.746 3.638 1.571) 6.182 1.538 ( -5.661 -1.073 -1.948) 6.082 1.634 ( 3.327 -2.841 -1.049) 4.499 1.674 ( -1.481 -1.020 -6.399) 6.647 1.735 ( 0.348 1.027 -0.066) 1.086 1.797 ( 3.566 -1.086 -3.401) 5.046 1.859 ( 0.812 0.153 0.284) 0.874 1.898 ( -4.283 0.795 -0.080) 4.357 2.006 ( -2.908 4.376 6.662) 8.484 2.132 ( 0.927 -3.288 1.453) 3.712 2.209 ( 5.277 4.849 3.593) 8.017 2.302 ( -2.081 0.669 2.481) 3.306 2.338 ( -1.459 1.002 1.050) 2.057 2.378 ( -4.642 1.616 -0.242) 4.922 2.467 ( -0.057 -1.523 -0.213) 1.539 2.550 ( 3.463 -1.626 -0.275) 3.836 2.570 ( 3.297 0.495 -3.588) 4.898 2.696 ( -6.448 -1.822 3.850) 7.728 2.781 ( 0.985 -2.129 -1.501) 2.785 2.893 ( -0.995 -0.424 0.820) 1.357 2.982 ( 1.026 -0.336 0.517) 1.197 3.076 ( 2.272 1.371 -1.395) 2.998 3.124 ( -1.536 -0.563 0.294) 1.662 3.170 ( 0.090 -0.564 0.829) 1.007 3.285 ( 0.145 0.140 0.037) 0.205 3.315 ( 1.802 -1.855 0.065) 2.587 3.487 ( -1.462 0.223 -0.192) 1.491 3.659 ( 2.225 0.587 -2.676) 3.529 3.757 ( 0.786 -0.572 -0.514) 1.100 3.952 ( 0.756 -1.118 -1.828) 2.273 4.185 ( -1.373 1.819 0.818) 2.421 4.261 ( -2.244 1.721 2.612) 3.850 4.375 ( 1.234 -0.275 -0.869) 1.534 4.502 ( 2.587 0.119 -3.830) 4.624 4.780 ( -0.030 1.594 1.292) 2.052 4.911 ( -0.712 -2.628 0.032) 2.723 5.594 ( -0.266 -0.206 0.023) 0.337 5.642 ( 0.991 -0.003 -0.941) 1.367 5.875 ( -4.937 -0.932 3.948) 6.390 6.163 ( 4.300 -0.242 -4.343) 6.116 6.994 ( -1.421 -0.090 1.333) 1.951 7.095 ( -1.950 -0.054 -0.416) 1.994 7.154 ( -0.413 -1.605 2.144) 2.710 7.261 ( 2.486 0.433 -2.066) 3.261 7.319 ( -0.425 -0.765 0.600) 1.061 7.365 ( 0.640 1.267 -0.903) 1.683 7.526 ( -3.920 1.338 3.903) 5.691 7.675 ( -0.213 -0.042 1.069) 1.091 7.740 ( 0.067 -1.029 -0.638) 1.213 7.768 ( 2.480 -1.743 -2.391) 3.861 7.924 ( -1.453 0.580 2.113) 2.629 8.057 ( 1.229 -0.578 -0.563) 1.470 8.135 ( -3.064 0.284 2.116) 3.735 8.329 ( 2.748 0.690 -3.152) 4.238 8.545 ( -0.944 -1.052 0.619) 1.543 8.558 ( 0.423 1.402 -0.320) 1.499 9.795 ( -0.209 0.502 0.321) 0.632 9.812 ( 0.209 0.850 -0.582) 1.052 9.850 ( 0.072 -0.323 -0.020) 0.331 9.883 ( 0.997 -2.136 -1.197) 2.644 11.880 ( 0.488 -0.026 0.965) 1.081 11.984 ( -0.314 -0.091 -0.310) 0.451 13.490 ( -1.835 -1.933 2.322) 3.535 13.602 ( 0.872 0.889 -1.267) 1.777 14.050 ( -1.401 0.294 2.008) 2.466 14.243 ( 2.762 -0.621 -3.195) 4.269 14.760 ( -0.837 0.925 0.509) 1.347 14.785 ( -1.047 0.593 -0.140) 1.212 ======================= Grid point 113 (57/100) ======================= q-point: (-0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 1.633 4.763 9.239) 10.522 0.909 ( 1.160 11.014 8.805) 14.149 1.164 ( -1.938 2.192 -2.358) 3.758 1.360 ( -5.980 -0.904 -1.790) 6.307 1.484 ( 2.464 1.047 2.837) 3.900 1.507 ( 0.167 0.739 0.234) 0.793 1.617 ( -0.525 1.271 -2.553) 2.900 1.676 ( 2.212 1.635 0.649) 2.827 1.737 ( 0.658 -0.974 -1.505) 1.910 1.798 ( -0.075 0.114 -1.785) 1.790 1.846 ( -0.512 5.784 5.212) 7.803 1.865 ( 2.128 0.419 -1.157) 2.458 1.996 ( -1.821 -1.338 1.941) 2.979 2.150 ( -4.438 -0.729 2.956) 5.382 2.253 ( 1.187 1.673 2.383) 3.145 2.287 ( 3.935 -1.782 -0.407) 4.339 2.344 ( 0.874 -0.565 -0.951) 1.409 2.372 ( -1.672 -3.519 1.699) 4.251 2.485 ( 0.192 -0.247 0.360) 0.477 2.553 ( 2.804 1.155 -3.613) 4.717 2.617 ( 5.323 -1.068 0.003) 5.429 2.713 ( -2.324 -2.761 1.167) 3.793 2.797 ( 0.950 -1.639 -3.307) 3.811 2.912 ( -0.999 -1.336 0.867) 1.880 2.967 ( -1.690 2.362 0.223) 2.913 3.029 ( -1.500 3.575 0.181) 3.881 3.110 ( 1.001 1.683 -1.529) 2.485 3.169 ( 0.764 0.900 -1.316) 1.768 3.294 ( 0.285 -1.709 0.319) 1.762 3.367 ( 0.550 -1.931 0.456) 2.059 3.464 ( -1.423 -0.388 -0.578) 1.584 3.639 ( 2.080 0.735 -3.410) 4.062 3.774 ( 0.445 -0.206 0.268) 0.559 3.905 ( 0.322 4.328 -3.288) 5.445 4.169 ( -2.162 -0.404 3.416) 4.062 4.276 ( -0.421 -2.268 1.846) 2.955 4.384 ( 1.004 0.130 -0.429) 1.100 4.476 ( 2.056 1.590 -3.234) 4.149 4.782 ( 0.624 0.550 2.718) 2.842 4.942 ( -1.289 -2.413 -1.295) 3.027 5.594 ( -0.396 0.017 0.295) 0.494 5.634 ( 0.634 0.673 -1.130) 1.460 5.873 ( -5.179 -0.863 3.157) 6.126 6.164 ( 4.653 -0.046 -5.398) 7.127 6.991 ( -0.948 0.163 0.843) 1.279 7.068 ( -0.575 0.707 -1.395) 1.666 7.175 ( -1.646 -0.073 1.252) 2.069 7.263 ( 2.687 0.509 -1.782) 3.264 7.311 ( -4.337 -0.783 1.964) 4.825 7.378 ( 3.042 -0.596 -0.736) 3.186 7.514 ( -3.848 0.557 4.771) 6.155 7.685 ( -0.564 -0.318 1.097) 1.274 7.746 ( -0.428 -0.179 0.214) 0.511 7.790 ( 2.161 -1.559 -3.471) 4.375 7.940 ( -0.552 -1.228 1.715) 2.181 8.053 ( 0.663 1.013 -1.485) 1.916 8.129 ( -2.882 -0.296 2.690) 3.953 8.315 ( 2.942 0.623 -3.181) 4.377 8.551 ( 1.034 0.302 0.405) 1.150 8.554 ( -1.358 -0.752 0.509) 1.634 9.771 ( -0.356 2.209 0.562) 2.307 9.809 ( 0.093 -0.133 0.115) 0.199 9.842 ( -0.082 0.689 -0.545) 0.883 9.918 ( 1.033 -2.358 -1.866) 3.180 11.901 ( 0.593 -0.134 1.866) 1.962 11.978 ( -0.586 -0.043 -0.327) 0.673 13.524 ( -2.494 -2.339 1.423) 3.704 13.586 ( 1.152 0.768 -1.108) 1.773 14.059 ( -1.158 -0.454 2.458) 2.755 14.235 ( 1.971 0.739 -3.429) 4.024 14.741 ( -1.441 0.539 0.474) 1.610 14.763 ( -0.263 0.814 -0.239) 0.888 ======================= Grid point 116 (58/100) ======================= q-point: ( 0.29 0.29 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -6.048 -0.000 6.364) 8.779 1.192 ( 0.574 0.000 4.819) 4.853 1.337 ( 10.458 0.000 -8.434) 13.435 1.410 ( 6.983 0.000 -8.856) 11.278 1.496 ( -2.019 -0.000 -4.399) 4.840 1.521 ( 2.914 0.000 2.964) 4.157 1.679 ( 0.710 0.000 7.962) 7.993 1.680 ( -0.062 -0.000 1.156) 1.158 1.712 ( 4.095 0.000 -5.906) 7.187 1.857 ( -1.801 -0.000 5.385) 5.678 1.895 ( 1.376 0.000 -0.633) 1.515 1.991 ( -1.878 -0.000 -2.480) 3.110 2.016 ( 3.320 0.000 3.487) 4.815 2.097 ( 0.957 0.000 1.515) 1.792 2.147 ( -3.386 -0.000 -1.271) 3.616 2.180 ( -7.283 -0.000 -2.823) 7.811 2.360 ( 0.287 0.000 -2.065) 2.085 2.402 ( -0.041 -0.000 0.646) 0.647 2.476 ( 0.357 0.000 -0.678) 0.766 2.493 ( 3.364 0.000 -2.298) 4.074 2.629 ( 1.030 0.000 -9.782) 9.836 2.699 ( -3.995 -0.000 4.700) 6.168 2.762 ( -3.692 -0.000 4.795) 6.052 2.896 ( 2.359 0.000 -2.122) 3.173 2.904 ( 3.842 0.000 -0.832) 3.931 2.911 ( -2.846 -0.000 3.382) 4.420 3.060 ( 0.763 0.000 -1.012) 1.267 3.088 ( -0.163 -0.000 0.142) 0.216 3.304 ( -2.805 -0.000 3.348) 4.368 3.365 ( -0.803 -0.000 0.522) 0.958 3.478 ( 1.648 0.000 -4.373) 4.674 3.710 ( 1.527 0.000 -0.905) 1.775 3.725 ( -0.923 -0.000 1.030) 1.383 3.874 ( 2.096 0.000 1.401) 2.521 4.242 ( -0.617 -0.000 1.883) 1.981 4.353 ( 1.245 0.000 -3.144) 3.381 4.406 ( 0.334 0.000 -0.081) 0.344 4.506 ( 5.383 0.000 -2.856) 6.094 4.807 ( -0.684 -0.000 -2.180) 2.285 4.942 ( -0.904 -0.000 2.577) 2.731 5.566 ( -0.618 -0.000 -0.095) 0.625 5.628 ( 0.757 0.000 -0.494) 0.904 5.862 ( -3.473 -0.000 5.345) 6.374 6.166 ( 3.521 0.000 -2.542) 4.342 6.949 ( -0.484 -0.000 0.581) 0.756 7.054 ( 1.211 0.000 -0.617) 1.359 7.104 ( -2.798 -0.000 1.838) 3.348 7.175 ( -3.012 -0.000 1.795) 3.507 7.323 ( 1.107 0.000 -1.184) 1.621 7.498 ( 0.781 0.000 -0.474) 0.914 7.589 ( -2.848 -0.000 4.795) 5.577 7.675 ( -2.820 -0.000 2.563) 3.810 7.729 ( 1.218 0.000 -2.434) 2.721 7.772 ( 0.959 0.000 -0.767) 1.228 7.970 ( -0.335 -0.000 -0.820) 0.885 7.991 ( -0.560 -0.000 0.793) 0.971 8.152 ( -0.801 -0.000 2.179) 2.322 8.333 ( 3.601 0.000 -2.813) 4.570 8.513 ( -1.218 -0.000 0.030) 1.219 8.628 ( 0.980 0.000 -0.084) 0.984 9.756 ( -0.806 -0.000 0.821) 1.151 9.777 ( 0.977 0.000 -2.062) 2.282 9.813 ( -2.143 -0.000 1.994) 2.927 9.905 ( 0.613 0.000 -1.584) 1.699 11.921 ( -0.483 -0.000 -1.427) 1.507 11.958 ( -0.726 -0.000 0.344) 0.804 13.434 ( -3.245 -0.000 1.626) 3.630 13.621 ( 0.561 0.000 0.163) 0.584 14.115 ( -0.765 -0.000 1.237) 1.455 14.154 ( 0.806 0.000 -1.824) 1.994 14.787 ( 2.045 0.000 0.079) 2.046 14.831 ( 1.190 0.000 2.038) 2.360 ======================= Grid point 117 (59/100) ======================= q-point: ( 0.43 0.29 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -4.508 0.367 4.530) 6.402 1.218 ( -1.018 0.855 1.161) 1.765 1.305 ( 4.172 -0.206 -11.183) 11.938 1.398 ( 5.130 -2.218 -9.368) 10.909 1.482 ( 5.501 1.532 0.169) 5.713 1.589 ( 0.855 -1.443 0.291) 1.703 1.690 ( -0.112 1.593 -1.572) 2.241 1.711 ( -1.375 0.026 4.438) 4.646 1.741 ( 2.074 -1.883 1.467) 3.162 1.803 ( -0.084 4.185 0.972) 4.297 1.897 ( -0.300 3.317 -2.028) 3.900 1.939 ( -2.017 -1.096 1.280) 2.629 2.038 ( 0.314 0.954 -1.031) 1.439 2.125 ( 2.426 1.100 -1.748) 3.186 2.160 ( 0.392 -2.689 5.971) 6.560 2.202 ( -0.568 -6.736 0.117) 6.761 2.311 ( -2.607 2.104 0.411) 3.375 2.403 ( -2.664 -0.541 -0.647) 2.795 2.481 ( 1.527 -0.208 0.164) 1.550 2.512 ( 5.745 1.563 -5.097) 7.838 2.572 ( 0.943 -3.033 -4.160) 5.234 2.697 ( -4.086 1.109 3.082) 5.237 2.782 ( -2.338 -1.174 2.605) 3.692 2.887 ( -0.991 -0.446 0.598) 1.241 2.924 ( 0.520 0.024 -0.939) 1.073 2.940 ( -0.124 -1.868 2.299) 2.965 3.060 ( 1.160 -0.285 -1.425) 1.860 3.099 ( -0.318 -1.550 -0.110) 1.586 3.288 ( -1.794 2.417 3.100) 4.321 3.357 ( -0.558 0.767 0.965) 1.353 3.485 ( 2.211 -1.732 -2.685) 3.886 3.679 ( 1.069 2.082 -0.303) 2.360 3.756 ( -0.573 -2.238 -0.425) 2.348 3.903 ( 1.162 0.382 1.779) 2.159 4.238 ( -1.613 1.341 1.998) 2.897 4.335 ( 1.010 0.046 -2.761) 2.941 4.424 ( 1.190 -2.059 -1.410) 2.765 4.500 ( 4.277 2.866 -3.408) 6.174 4.791 ( 0.475 -0.067 -1.007) 1.115 4.937 ( -2.042 0.987 1.087) 2.515 5.567 ( -0.417 -0.683 0.119) 0.809 5.631 ( 0.773 0.031 -0.479) 0.911 5.876 ( -3.436 0.697 6.013) 6.961 6.172 ( 3.165 0.535 -2.317) 3.959 6.959 ( -0.466 -0.593 1.245) 1.456 7.066 ( 0.901 -0.865 -0.199) 1.265 7.098 ( -2.501 -0.153 1.768) 3.066 7.185 ( -2.010 -2.144 1.891) 3.495 7.314 ( 1.047 0.733 -1.690) 2.119 7.481 ( -0.067 1.062 -1.894) 2.173 7.596 ( -3.449 0.623 4.067) 5.369 7.674 ( -2.376 -0.037 2.348) 3.341 7.721 ( 2.217 0.064 -2.413) 3.277 7.760 ( 0.078 1.601 0.084) 1.605 7.974 ( -0.079 -1.187 -0.207) 1.207 7.990 ( -0.114 0.522 0.889) 1.037 8.160 ( -1.248 0.398 2.049) 2.432 8.342 ( 3.492 0.027 -2.659) 4.390 8.507 ( -0.742 -0.290 0.368) 0.877 8.628 ( 0.554 0.652 -0.519) 1.000 9.760 ( -1.054 -0.886 0.292) 1.408 9.781 ( 1.251 -1.167 -1.499) 2.275 9.813 ( -1.600 -0.362 1.415) 2.166 9.891 ( 0.598 0.745 -1.194) 1.529 11.897 ( -0.205 0.729 -1.198) 1.418 11.960 ( -0.716 -1.016 -0.570) 1.368 13.428 ( -2.537 -0.483 2.337) 3.483 13.624 ( 0.337 -0.014 -0.457) 0.568 14.100 ( -0.871 1.520 0.927) 1.982 14.169 ( 1.388 -1.817 -1.491) 2.730 14.802 ( 1.525 0.514 0.106) 1.613 14.844 ( -0.158 1.205 1.706) 2.095 ======================= Grid point 118 (60/100) ======================= q-point: ( 0.57 0.29 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 1.007 2.433 -1.407) 2.985 1.202 ( -1.673 -4.736 -2.741) 5.722 1.285 ( 2.226 0.638 -0.733) 2.429 1.381 ( 2.844 -0.553 -7.755) 8.278 1.512 ( 4.288 0.289 -3.322) 5.432 1.570 ( -1.134 1.108 -2.875) 3.283 1.633 ( -2.536 2.351 1.472) 3.758 1.688 ( -2.680 1.053 -3.758) 4.734 1.744 ( -3.144 2.563 3.445) 5.322 1.815 ( 1.611 -0.592 -0.938) 1.956 1.839 ( 5.625 2.701 -0.764) 6.287 1.996 ( -2.937 1.005 -0.445) 3.136 2.006 ( 1.623 -2.069 4.283) 5.026 2.075 ( 1.971 4.109 -2.268) 5.090 2.269 ( 0.888 -3.234 2.206) 4.014 2.296 ( 0.257 -0.048 4.274) 4.281 2.309 ( -0.763 -4.241 1.452) 4.547 2.389 ( -0.382 -2.273 -1.655) 2.837 2.493 ( 1.225 1.979 0.074) 2.329 2.509 ( 1.025 -0.416 0.720) 1.320 2.597 ( -3.114 -2.824 -0.793) 4.278 2.649 ( 0.689 3.008 -0.878) 3.208 2.790 ( -1.996 0.555 2.373) 3.150 2.887 ( -2.145 -0.378 0.089) 2.180 2.926 ( 1.107 -1.409 -0.855) 1.986 3.012 ( -2.150 -4.277 3.653) 6.022 3.070 ( 3.015 -1.387 -2.696) 4.276 3.124 ( -0.458 -1.862 -0.045) 1.918 3.269 ( -0.087 1.407 2.073) 2.507 3.342 ( 0.256 1.483 -0.124) 1.510 3.499 ( -0.154 -0.022 -0.049) 0.163 3.670 ( 2.813 0.408 -1.437) 3.185 3.779 ( 0.344 -0.996 -0.355) 1.112 3.907 ( -0.508 1.066 1.111) 1.621 4.218 ( -2.490 0.792 2.264) 3.458 4.324 ( -0.021 -0.161 -0.660) 0.679 4.434 ( 2.984 3.577 -3.864) 6.052 4.464 ( 2.053 -1.430 -2.550) 3.572 4.799 ( 1.256 -0.223 0.123) 1.281 4.896 ( -2.488 1.324 -0.284) 2.833 5.578 ( -0.289 -0.761 0.170) 0.832 5.633 ( 0.608 -0.129 -0.493) 0.794 5.882 ( -3.810 1.138 5.939) 7.147 6.170 ( 3.487 0.629 -2.791) 4.511 6.980 ( -0.754 -0.750 2.038) 2.299 7.088 ( -1.534 -0.286 0.284) 1.586 7.099 ( -0.099 -1.354 1.721) 2.192 7.234 ( -0.568 -2.993 1.421) 3.361 7.293 ( 1.394 0.711 -2.341) 2.816 7.435 ( -0.127 1.834 -2.347) 2.982 7.578 ( -3.828 1.355 3.317) 5.243 7.673 ( -1.292 -0.066 1.278) 1.819 7.728 ( 2.595 -0.208 -1.762) 3.144 7.738 ( 0.035 0.917 0.425) 1.011 7.968 ( -1.516 1.228 1.159) 2.269 8.015 ( 1.386 -1.571 0.266) 2.111 8.152 ( -2.131 0.715 1.916) 2.954 8.346 ( 3.095 0.362 -2.821) 4.203 8.514 ( -0.467 -0.618 0.650) 1.011 8.608 ( 0.127 1.292 -0.933) 1.598 9.769 ( -0.852 -1.221 -0.091) 1.492 9.806 ( 1.207 -1.735 -1.105) 2.385 9.823 ( -0.686 -0.862 0.728) 1.320 9.871 ( 0.208 1.118 -0.484) 1.236 11.881 ( 0.323 0.220 -0.350) 0.525 11.963 ( -0.675 -1.140 -1.096) 1.720 13.443 ( -1.942 -1.002 2.759) 3.520 13.619 ( 0.475 0.151 -1.204) 1.303 14.077 ( -1.075 1.325 1.436) 2.230 14.199 ( 1.825 -1.793 -2.030) 3.266 14.801 ( 0.646 1.165 0.311) 1.368 14.824 ( -0.835 1.749 0.740) 2.075 ======================= Grid point 119 (61/100) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 3.232 1.587 -1.979) 4.109 1.254 ( 2.680 1.881 -8.025) 8.667 1.294 ( -1.545 -1.066 1.721) 2.546 1.339 ( 2.134 -0.059 2.076) 2.978 1.435 ( -6.815 1.985 -3.160) 7.770 1.557 ( 7.373 0.081 -4.583) 8.682 1.606 ( 0.122 1.646 -1.044) 1.953 1.612 ( -1.166 -0.458 -2.003) 2.363 1.735 ( -2.712 -1.788 1.849) 3.738 1.774 ( 0.846 2.245 -4.651) 5.233 1.846 ( -1.740 1.066 0.300) 2.062 1.929 ( 3.294 2.378 -1.838) 4.459 2.065 ( 1.172 -0.112 3.391) 3.589 2.115 ( 0.609 -2.415 4.424) 5.077 2.314 ( -3.580 0.488 0.786) 3.697 2.324 ( 1.759 0.236 0.774) 1.936 2.336 ( -0.609 -1.205 0.653) 1.500 2.403 ( 0.518 3.476 0.900) 3.628 2.452 ( -3.607 0.653 3.286) 4.922 2.552 ( 2.618 -1.439 0.589) 3.045 2.595 ( 1.665 0.813 -0.901) 2.061 2.627 ( -1.207 -1.711 -0.513) 2.156 2.778 ( -1.533 0.960 2.213) 2.858 2.880 ( -1.226 -0.623 0.722) 1.553 2.960 ( 0.386 -2.471 -1.268) 2.804 3.069 ( 0.212 -2.665 -1.054) 2.874 3.106 ( -0.191 -0.149 0.902) 0.934 3.155 ( 0.007 -2.356 0.472) 2.403 3.278 ( -0.224 -0.298 0.658) 0.756 3.323 ( 1.397 0.589 -0.515) 1.601 3.487 ( -1.855 0.766 1.366) 2.428 3.678 ( 3.947 0.767 -2.818) 4.910 3.775 ( -0.055 1.959 1.144) 2.269 3.905 ( -0.071 -2.048 -1.775) 2.711 4.207 ( -2.042 0.819 2.456) 3.297 4.311 ( -1.898 2.528 1.791) 3.634 4.374 ( 2.347 0.998 -3.087) 4.005 4.483 ( 2.456 -1.034 -3.342) 4.274 4.811 ( 0.601 0.842 0.704) 1.251 4.865 ( -1.461 -1.188 -0.813) 2.051 5.587 ( -0.130 -0.434 0.267) 0.526 5.636 ( 0.262 -0.288 -0.781) 0.873 5.876 ( -4.228 1.149 5.201) 6.800 6.167 ( 4.116 0.441 -3.852) 5.655 7.000 ( -0.936 -0.024 2.393) 2.569 7.075 ( -1.921 0.137 0.485) 1.986 7.144 ( 0.123 -1.724 1.563) 2.330 7.267 ( 1.782 0.067 -1.888) 2.597 7.299 ( 0.371 -2.109 -0.078) 2.143 7.385 ( 0.250 1.722 -1.545) 2.327 7.549 ( -3.421 1.349 3.286) 4.931 7.676 ( -0.240 -0.309 0.204) 0.441 7.729 ( 0.106 0.095 0.237) 0.276 7.752 ( 2.167 -0.805 -1.331) 2.668 7.943 ( -2.028 1.147 1.920) 3.020 8.053 ( 1.672 -1.065 -0.503) 2.045 8.134 ( -2.941 0.732 2.374) 3.850 8.337 ( 2.705 0.712 -3.160) 4.220 8.527 ( -0.628 -0.702 0.641) 1.139 8.578 ( 0.114 1.219 -0.916) 1.529 9.783 ( -0.303 -1.221 0.026) 1.259 9.825 ( 0.420 0.097 -0.875) 0.975 9.842 ( 0.309 -1.652 -0.032) 1.680 9.855 ( -0.054 0.408 -0.156) 0.440 11.891 ( 0.792 -0.424 0.820) 1.216 11.963 ( -0.784 -0.946 -1.198) 1.717 13.469 ( -1.854 -1.194 2.707) 3.492 13.608 ( 0.829 0.396 -1.555) 1.806 14.065 ( -1.314 0.757 2.002) 2.512 14.220 ( 2.012 -1.262 -2.836) 3.699 14.779 ( -1.011 1.642 0.587) 2.015 14.799 ( 0.246 1.362 0.038) 1.385 ======================= Grid point 120 (62/100) ======================= q-point: (-0.14 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 5.330 -2.907 4.712) 7.685 1.113 ( 1.271 5.777 -6.173) 8.550 1.239 ( 0.201 8.049 0.829) 8.094 1.313 ( -3.125 3.133 4.769) 6.506 1.455 ( 0.308 -4.574 -0.865) 4.665 1.551 ( 0.212 -0.668 -5.645) 5.688 1.603 ( 3.733 0.149 1.978) 4.227 1.647 ( 0.553 -3.174 -2.265) 3.939 1.701 ( 3.975 -0.077 -6.143) 7.318 1.762 ( -1.396 -2.228 -2.065) 3.343 1.820 ( -2.964 -0.577 0.492) 3.060 1.935 ( 6.183 1.991 -1.149) 6.597 2.111 ( 1.047 2.503 4.058) 4.881 2.140 ( -6.514 1.073 4.555) 8.021 2.262 ( -0.936 -0.171 0.013) 0.952 2.317 ( -1.637 2.881 1.683) 3.717 2.331 ( -2.596 0.419 2.114) 3.374 2.382 ( 1.937 0.163 2.196) 2.933 2.467 ( -2.126 -1.479 1.650) 3.071 2.578 ( 3.553 2.081 -2.995) 5.092 2.623 ( 4.226 -2.863 -0.780) 5.164 2.658 ( -1.046 -3.032 0.559) 3.255 2.775 ( 0.012 0.085 0.303) 0.314 2.894 ( -1.301 -0.879 1.550) 2.206 2.967 ( -1.148 0.133 -1.564) 1.945 3.076 ( -0.935 2.945 0.440) 3.121 3.097 ( -0.188 -1.488 -1.605) 2.197 3.176 ( -0.807 0.155 0.706) 1.083 3.274 ( -0.582 -0.547 -0.735) 1.086 3.342 ( 0.383 -1.123 -0.198) 1.203 3.467 ( -1.694 1.152 2.008) 2.868 3.660 ( 3.997 2.072 -3.859) 5.930 3.770 ( -0.501 -0.636 1.447) 1.659 3.912 ( 1.132 -0.003 -3.530) 3.707 4.194 ( -1.271 1.442 2.626) 3.254 4.276 ( -1.800 0.439 3.038) 3.558 4.379 ( 1.710 -0.835 -1.809) 2.625 4.481 ( 2.499 0.372 -3.136) 4.027 4.814 ( 0.256 -0.011 1.893) 1.911 4.877 ( -1.040 -2.121 -1.440) 2.767 5.593 ( -0.174 -0.067 0.368) 0.413 5.632 ( 0.061 -0.002 -0.852) 0.854 5.862 ( -4.451 0.812 4.417) 6.323 6.162 ( 4.525 0.305 -4.962) 6.723 7.003 ( -1.279 0.865 1.869) 2.425 7.059 ( -0.977 0.236 0.127) 1.013 7.172 ( -1.035 -0.356 1.107) 1.556 7.267 ( 2.310 -0.516 -2.194) 3.227 7.305 ( -1.464 1.346 0.408) 2.030 7.381 ( 2.149 -1.276 -0.677) 2.589 7.535 ( -3.007 0.693 4.023) 5.071 7.681 ( -0.030 -0.387 -0.091) 0.398 7.734 ( -0.367 -0.579 0.043) 0.687 7.765 ( 1.505 -0.419 -2.065) 2.589 7.938 ( -1.698 -0.347 2.458) 3.008 8.057 ( 0.708 0.716 -1.873) 2.127 8.128 ( -2.388 -0.050 3.185) 3.981 8.322 ( 2.857 0.585 -3.199) 4.329 8.535 ( -0.941 -0.554 0.456) 1.183 8.565 ( 0.754 0.092 -0.214) 0.789 9.798 ( -0.398 0.136 0.549) 0.691 9.809 ( 0.295 0.601 -0.068) 0.672 9.847 ( 0.007 0.501 -0.348) 0.610 9.871 ( 0.313 -2.076 -1.164) 2.400 11.918 ( 0.463 -0.525 1.488) 1.645 11.958 ( -0.659 -0.685 -0.954) 1.347 13.489 ( -2.600 -0.902 1.998) 3.401 13.598 ( 1.419 0.392 -1.249) 1.931 14.065 ( -1.484 -0.057 2.298) 2.736 14.224 ( 1.860 -0.248 -3.146) 3.663 14.752 ( -0.631 1.058 0.568) 1.357 14.782 ( 0.635 1.207 -0.035) 1.364 ======================= Grid point 124 (63/100) ======================= q-point: ( 0.43 0.43 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -6.285 -0.000 7.422) 9.726 1.181 ( 2.362 0.000 -13.839) 14.039 1.267 ( -2.859 -0.000 5.360) 6.075 1.330 ( 3.518 0.000 -11.660) 12.179 1.557 ( -0.025 -0.000 -3.534) 3.534 1.570 ( 4.082 0.000 0.453) 4.107 1.658 ( -0.504 -0.000 -3.900) 3.933 1.718 ( -3.019 -0.000 -1.475) 3.360 1.740 ( 3.076 0.000 2.143) 3.749 1.861 ( -6.596 -0.000 4.020) 7.724 1.915 ( 5.556 0.000 -0.493) 5.578 1.970 ( 4.338 0.000 4.193) 6.033 2.018 ( -3.747 -0.000 0.357) 3.764 2.098 ( -0.397 -0.000 -0.545) 0.674 2.215 ( 0.887 0.000 5.848) 5.915 2.223 ( 6.229 0.000 2.593) 6.747 2.294 ( -0.590 -0.000 -2.704) 2.768 2.358 ( -5.181 -0.000 -0.719) 5.230 2.504 ( 1.085 0.000 0.702) 1.293 2.510 ( 5.316 0.000 -7.563) 9.244 2.551 ( 6.113 0.000 -2.138) 6.476 2.690 ( -5.484 -0.000 2.779) 6.148 2.762 ( -3.364 -0.000 2.196) 4.018 2.871 ( -2.611 -0.000 2.133) 3.372 2.918 ( 0.594 0.000 -2.629) 2.695 2.949 ( 1.926 0.000 0.629) 2.026 3.052 ( -0.383 -0.000 -0.915) 0.992 3.084 ( 0.540 0.000 -0.495) 0.732 3.336 ( -2.141 -0.000 5.100) 5.531 3.367 ( -1.022 -0.000 1.421) 1.750 3.472 ( 4.084 0.000 -2.342) 4.708 3.692 ( -0.195 -0.000 -2.011) 2.020 3.734 ( -0.699 -0.000 1.873) 1.999 3.931 ( 1.295 0.000 1.117) 1.710 4.257 ( -1.484 -0.000 1.542) 2.141 4.315 ( 1.691 0.000 -3.794) 4.153 4.398 ( 0.173 0.000 -1.095) 1.108 4.525 ( 3.312 0.000 -4.350) 5.467 4.797 ( 1.740 0.000 -0.046) 1.741 4.925 ( -2.984 -0.000 -0.124) 2.987 5.561 ( -0.362 -0.000 0.630) 0.727 5.634 ( 0.760 0.000 -0.443) 0.880 5.911 ( -2.968 -0.000 6.376) 7.032 6.186 ( 2.603 0.000 -1.837) 3.186 6.963 ( -0.034 -0.000 1.205) 1.205 7.062 ( 1.058 0.000 -0.801) 1.327 7.100 ( -1.822 -0.000 2.714) 3.269 7.167 ( -2.106 -0.000 2.620) 3.362 7.310 ( 0.650 0.000 -2.031) 2.133 7.462 ( -0.300 -0.000 -3.221) 3.235 7.599 ( -4.213 -0.000 3.507) 5.482 7.675 ( -2.486 -0.000 2.962) 3.867 7.725 ( 2.842 0.000 -2.102) 3.535 7.775 ( -0.602 -0.000 0.206) 0.636 7.962 ( 0.603 0.000 -0.147) 0.621 8.002 ( -0.146 -0.000 1.064) 1.074 8.172 ( -1.538 -0.000 2.158) 2.650 8.351 ( 3.393 0.000 -2.698) 4.335 8.506 ( -0.358 -0.000 0.990) 1.053 8.629 ( 0.051 0.000 -0.934) 0.936 9.744 ( -1.289 -0.000 0.244) 1.312 9.772 ( 1.775 0.000 -1.367) 2.241 9.807 ( -1.654 -0.000 1.272) 2.086 9.891 ( 0.941 0.000 -1.505) 1.775 11.893 ( 0.513 0.000 -1.382) 1.474 11.932 ( -1.132 -0.000 -1.104) 1.581 13.426 ( -2.015 -0.000 2.886) 3.520 13.619 ( 0.057 0.000 -0.944) 0.946 14.118 ( -1.052 -0.000 0.858) 1.358 14.151 ( 1.748 0.000 -1.165) 2.100 14.822 ( 1.367 0.000 0.308) 1.401 14.862 ( -1.588 -0.000 1.420) 2.131 ======================= Grid point 125 (64/100) ======================= q-point: (-0.43 -0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -2.105 0.481 4.170) 4.696 1.081 ( 1.278 -0.484 -9.658) 9.754 1.237 ( -4.878 -3.631 -6.723) 9.066 1.320 ( -1.673 -2.056 3.144) 4.113 1.503 ( 1.826 1.739 -6.772) 7.226 1.570 ( -0.341 0.201 -2.500) 2.531 1.628 ( -1.351 0.599 -3.307) 3.623 1.645 ( -2.254 2.131 1.753) 3.563 1.798 ( -3.480 2.515 2.653) 5.047 1.838 ( 3.720 -1.715 1.215) 4.273 1.941 ( 1.721 6.086 -0.692) 6.363 1.977 ( 4.127 -0.269 -0.896) 4.231 2.072 ( 3.557 -0.126 5.906) 6.895 2.147 ( 0.672 1.806 -1.851) 2.672 2.167 ( -3.429 -4.344 -0.693) 5.577 2.271 ( -1.533 -1.149 1.887) 2.689 2.302 ( -5.407 -1.209 1.667) 5.786 2.397 ( 7.971 -2.775 2.469) 8.794 2.492 ( -0.370 0.045 -0.417) 0.559 2.546 ( 1.961 -0.962 -2.095) 3.026 2.556 ( 2.609 2.572 0.070) 3.664 2.663 ( -0.831 -0.775 -1.233) 1.677 2.771 ( -2.406 -2.075 1.617) 3.564 2.869 ( -1.285 0.293 0.592) 1.445 2.904 ( 0.275 -0.817 -1.805) 2.000 2.979 ( -0.387 -1.074 2.113) 2.402 3.043 ( 1.283 -1.280 -2.467) 3.061 3.098 ( 1.049 -1.199 -0.614) 1.707 3.328 ( -0.583 2.796 2.762) 3.973 3.372 ( -0.493 0.951 1.850) 2.138 3.498 ( 1.356 -0.117 0.080) 1.363 3.677 ( 1.445 -0.591 -2.288) 2.770 3.759 ( -0.571 -1.413 2.214) 2.688 3.937 ( 0.096 1.456 0.178) 1.470 4.233 ( -2.245 1.537 1.616) 3.164 4.307 ( 0.930 -0.701 -2.279) 2.560 4.410 ( 0.944 -1.959 -2.029) 2.974 4.490 ( 2.180 2.219 -4.138) 5.177 4.820 ( 2.515 0.178 0.647) 2.603 4.880 ( -3.255 0.862 -1.112) 3.546 5.569 ( -0.291 -0.463 0.927) 1.076 5.635 ( 0.474 0.180 -0.539) 0.740 5.929 ( -3.155 1.469 6.267) 7.168 6.188 ( 2.886 0.534 -2.281) 3.717 6.982 ( -0.001 -0.764 1.667) 1.834 7.074 ( 0.973 -0.871 -0.881) 1.575 7.105 ( -1.319 0.464 2.992) 3.302 7.199 ( -1.242 -2.461 2.939) 4.030 7.291 ( 0.861 0.529 -2.683) 2.867 7.424 ( 0.093 0.441 -3.581) 3.609 7.581 ( -4.657 0.521 3.035) 5.583 7.678 ( -1.702 0.345 2.458) 3.009 7.737 ( 2.444 -0.138 -1.124) 2.694 7.759 ( 0.171 1.089 -0.139) 1.111 7.972 ( -0.361 0.094 0.401) 0.548 8.013 ( 0.689 -0.670 0.560) 1.112 8.166 ( -2.264 0.896 2.301) 3.350 8.355 ( 3.011 0.260 -2.919) 4.202 8.516 ( -0.121 -0.021 1.434) 1.439 8.612 ( -0.410 0.618 -1.372) 1.560 9.741 ( -1.121 -0.929 0.158) 1.464 9.787 ( 1.778 -0.930 -1.215) 2.346 9.809 ( -1.187 -0.743 1.024) 1.735 9.883 ( 0.865 0.558 -1.240) 1.612 11.885 ( 0.749 0.232 -0.617) 0.998 11.922 ( -0.799 -1.274 -1.575) 2.178 13.442 ( -1.567 -0.469 3.211) 3.604 13.610 ( 0.235 -0.117 -1.522) 1.544 14.101 ( -1.176 1.197 1.012) 1.960 14.173 ( 1.716 -1.361 -1.291) 2.542 14.830 ( 0.446 1.090 0.731) 1.386 14.843 ( -1.563 1.033 0.594) 1.965 ======================= Grid point 126 (65/100) ======================= q-point: (-0.29 -0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 2.616 2.175 -3.314) 4.749 1.087 ( 0.328 -7.121 -9.730) 12.062 1.228 ( -7.535 -5.088 -0.269) 9.096 1.358 ( -2.041 1.995 4.242) 5.113 1.426 ( -1.181 -1.210 -0.613) 1.798 1.539 ( -0.604 -0.523 -3.593) 3.681 1.589 ( 1.597 0.135 -3.581) 3.923 1.645 ( 1.311 0.546 2.041) 2.487 1.739 ( -2.759 3.310 2.325) 4.897 1.837 ( -2.358 2.852 -1.686) 4.066 1.846 ( 4.706 6.171 -2.589) 8.181 1.997 ( 5.338 2.080 -0.850) 5.792 2.094 ( 0.899 -1.317 -0.575) 1.694 2.138 ( -2.534 0.460 5.344) 5.933 2.261 ( -3.755 -5.659 0.687) 6.826 2.289 ( -0.300 -4.283 -1.218) 4.463 2.318 ( 0.824 0.488 0.890) 1.308 2.450 ( -0.470 1.811 2.621) 3.220 2.467 ( -3.813 3.119 -1.170) 5.063 2.544 ( 3.533 -3.094 -1.050) 4.812 2.593 ( 1.540 0.353 3.416) 3.763 2.663 ( 3.488 0.915 -2.876) 4.613 2.792 ( -2.706 -0.044 2.766) 3.870 2.864 ( -0.634 -0.738 0.290) 1.015 2.905 ( 0.532 -1.913 -2.023) 2.835 3.020 ( -0.165 -2.526 0.121) 2.534 3.087 ( 1.316 -3.396 -0.164) 3.646 3.123 ( 0.526 -1.207 -0.265) 1.343 3.301 ( -0.048 2.152 0.738) 2.275 3.353 ( 1.112 2.335 -0.238) 2.597 3.499 ( -2.030 0.728 2.650) 3.416 3.692 ( 3.547 -0.559 -2.985) 4.669 3.809 ( 0.639 -1.467 2.578) 3.034 3.881 ( -1.599 2.796 -1.679) 3.632 4.216 ( -2.749 0.225 2.942) 4.033 4.312 ( -0.448 -0.858 -0.182) 0.985 4.394 ( 0.945 2.056 -3.873) 4.486 4.466 ( 2.783 -0.729 -2.262) 3.660 4.826 ( -2.573 0.586 -1.186) 2.893 4.845 ( 2.231 0.438 0.637) 2.361 5.584 ( -0.084 -0.468 0.836) 0.962 5.629 ( 0.123 0.099 -0.673) 0.691 5.919 ( -3.728 2.372 5.678) 7.195 6.182 ( 3.695 0.808 -3.463) 5.128 7.013 ( -0.255 -0.564 2.313) 2.394 7.075 ( -0.492 0.576 0.589) 0.960 7.131 ( 0.043 -1.397 1.597) 2.122 7.261 ( -0.254 -2.337 2.157) 3.191 7.267 ( 1.354 -0.160 -3.028) 3.321 7.388 ( 0.468 0.614 -2.738) 2.844 7.557 ( -4.182 0.520 2.918) 5.126 7.676 ( -0.585 0.357 0.977) 1.193 7.739 ( -0.307 0.627 0.379) 0.794 7.761 ( 2.896 0.211 -0.974) 3.063 7.953 ( -2.050 1.059 1.050) 2.535 8.045 ( 1.621 -1.296 -0.453) 2.124 8.147 ( -2.887 1.129 2.841) 4.205 8.345 ( 2.641 0.667 -3.216) 4.214 8.527 ( -0.204 0.126 1.379) 1.400 8.581 ( -0.427 0.739 -1.451) 1.684 9.756 ( -0.624 -1.632 0.221) 1.761 9.808 ( 1.394 -1.127 -1.311) 2.221 9.826 ( -0.417 -0.996 0.868) 1.386 9.869 ( 0.640 0.819 -0.654) 1.228 11.895 ( 0.435 -0.701 0.273) 0.869 11.924 ( -0.140 -1.286 -1.403) 1.909 13.466 ( -1.566 -0.548 3.156) 3.566 13.601 ( 0.704 -0.193 -1.783) 1.927 14.081 ( -1.670 0.891 1.417) 2.364 14.197 ( 2.062 -1.166 -1.960) 3.075 14.798 ( -1.772 1.622 0.461) 2.446 14.829 ( 0.596 1.554 0.615) 1.774 ======================= Grid point 127 (66/100) ======================= q-point: (-0.14 -0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.971 -4.583 1.354) 4.876 1.076 ( 4.403 -0.452 -8.302) 9.408 1.238 ( -6.652 -7.205 -2.066) 10.022 1.362 ( 0.587 0.479 3.370) 3.454 1.457 ( 1.927 2.790 0.684) 3.459 1.517 ( -1.164 -1.224 -1.989) 2.610 1.566 ( 1.186 -1.185 -2.595) 3.090 1.670 ( 0.996 0.845 0.935) 1.606 1.706 ( -1.698 0.415 3.251) 3.692 1.757 ( 7.463 5.879 -4.424) 10.480 1.796 ( -1.354 -0.338 -0.311) 1.430 2.013 ( 5.752 1.429 -1.208) 6.049 2.123 ( -4.736 -0.446 0.551) 4.789 2.127 ( -2.846 -0.590 2.112) 3.593 2.295 ( -1.562 -0.236 3.397) 3.746 2.306 ( -1.829 -1.342 -1.670) 2.817 2.336 ( 1.670 -0.232 -1.359) 2.165 2.389 ( -4.443 0.300 0.781) 4.521 2.442 ( -1.940 -0.017 2.099) 2.858 2.594 ( 2.801 -1.666 -2.810) 4.303 2.618 ( 2.813 1.500 -3.128) 4.467 2.664 ( 2.676 0.563 3.604) 4.524 2.780 ( -3.795 0.252 3.427) 5.120 2.882 ( -1.321 -1.112 1.800) 2.494 2.931 ( 1.122 -1.752 -2.557) 3.296 3.052 ( 0.892 -1.822 -1.589) 2.577 3.113 ( -0.864 1.373 1.407) 2.147 3.157 ( -0.493 -2.372 0.324) 2.445 3.269 ( -0.369 1.598 -0.441) 1.699 3.333 ( 0.203 0.200 -0.851) 0.897 3.491 ( -1.572 1.050 2.682) 3.281 3.691 ( 3.485 1.067 -3.749) 5.229 3.788 ( -1.041 2.675 0.187) 2.877 3.885 ( 1.613 -2.020 -0.248) 2.597 4.218 ( -1.859 0.135 2.370) 3.015 4.294 ( -3.112 1.535 1.665) 3.849 4.364 ( 2.294 -0.700 -2.608) 3.543 4.486 ( 3.384 -0.249 -2.423) 4.170 4.802 ( -1.684 -1.189 -0.432) 2.106 4.860 ( 1.331 0.506 0.558) 1.529 5.596 ( 0.029 -0.154 0.583) 0.604 5.624 ( 0.149 -0.103 -0.607) 0.633 5.891 ( -4.175 2.296 4.973) 6.887 6.169 ( 4.167 0.809 -4.539) 6.215 7.022 ( -1.420 0.910 1.613) 2.334 7.070 ( -0.185 0.798 1.706) 1.892 7.161 ( -0.842 -0.937 0.803) 1.494 7.257 ( 2.110 -0.540 -2.851) 3.588 7.308 ( -0.276 -0.765 0.734) 1.096 7.371 ( 1.100 -0.611 -1.357) 1.850 7.543 ( -3.580 -0.013 3.291) 4.863 7.675 ( -0.081 -0.120 -0.071) 0.161 7.730 ( 0.073 0.526 0.004) 0.531 7.767 ( 1.817 0.656 -1.437) 2.407 7.934 ( -2.578 -0.056 1.995) 3.260 8.059 ( 1.098 0.416 -1.562) 1.954 8.137 ( -2.530 0.192 3.409) 4.250 8.330 ( 2.810 0.581 -3.150) 4.261 8.532 ( -0.415 0.261 1.024) 1.136 8.564 ( 0.227 -0.202 -0.790) 0.846 9.784 ( -0.132 -1.693 0.407) 1.746 9.820 ( 0.759 -0.153 -0.961) 1.234 9.838 ( -0.273 -0.205 0.248) 0.422 9.863 ( 0.924 0.340 -0.227) 1.010 11.906 ( -1.109 -1.084 -0.591) 1.660 11.943 ( 1.181 -0.946 0.394) 1.563 13.480 ( -2.160 0.033 2.505) 3.308 13.599 ( 1.310 -0.324 -1.417) 1.957 14.068 ( -2.053 0.179 1.613) 2.617 14.213 ( 2.569 -0.482 -2.333) 3.504 14.767 ( -0.968 0.983 0.497) 1.467 14.811 ( 0.318 1.638 0.343) 1.703 ======================= Grid point 132 (67/100) ======================= q-point: (-0.43 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -7.085 -0.000 1.619) 7.268 1.018 ( -11.017 -0.000 -10.266) 15.059 1.102 ( 4.649 0.000 0.897) 4.734 1.309 ( -3.698 -0.000 3.921) 5.390 1.476 ( 2.181 0.000 -6.235) 6.605 1.516 ( -2.364 -0.000 -3.738) 4.423 1.637 ( 3.793 0.000 -0.279) 3.804 1.665 ( -5.106 -0.000 0.224) 5.111 1.810 ( -0.899 -0.000 1.700) 1.923 1.842 ( -1.754 -0.000 4.411) 4.747 2.006 ( -1.990 -0.000 -0.571) 2.070 2.034 ( -3.702 -0.000 -3.486) 5.085 2.078 ( 6.525 0.000 1.118) 6.620 2.113 ( -6.014 -0.000 1.201) 6.132 2.159 ( -7.022 -0.000 -1.183) 7.120 2.173 ( 8.015 0.000 0.360) 8.023 2.379 ( 4.065 0.000 2.620) 4.836 2.416 ( 5.131 0.000 0.783) 5.190 2.519 ( 2.120 0.000 -2.599) 3.354 2.560 ( 3.977 0.000 1.682) 4.318 2.583 ( -3.633 -0.000 -4.272) 5.608 2.621 ( 3.138 0.000 0.346) 3.157 2.742 ( -3.419 -0.000 3.101) 4.616 2.858 ( 1.881 0.000 -5.425) 5.742 2.896 ( -1.404 -0.000 4.556) 4.768 3.008 ( 0.103 0.000 -2.547) 2.549 3.012 ( 2.874 0.000 1.336) 3.169 3.094 ( 1.799 0.000 -1.167) 2.144 3.362 ( -1.740 -0.000 0.475) 1.803 3.396 ( -0.563 -0.000 3.875) 3.916 3.533 ( 3.173 0.000 1.020) 3.333 3.649 ( 0.518 0.000 -2.537) 2.589 3.764 ( -1.511 -0.000 3.225) 3.561 3.948 ( 0.150 0.000 -1.508) 1.515 4.238 ( -2.273 -0.000 0.506) 2.328 4.288 ( 1.572 0.000 -2.217) 2.717 4.387 ( 0.392 0.000 -0.478) 0.618 4.481 ( 1.189 0.000 -4.459) 4.615 4.842 ( -3.367 -0.000 -1.582) 3.720 4.860 ( 3.255 0.000 1.259) 3.490 5.574 ( -0.352 -0.000 1.403) 1.446 5.634 ( 0.259 0.000 -0.761) 0.804 5.972 ( -2.807 -0.000 6.000) 6.625 6.197 ( 2.695 0.000 -2.429) 3.628 6.989 ( 0.443 0.000 1.191) 1.271 7.068 ( 1.717 0.000 -1.389) 2.208 7.135 ( -0.870 -0.000 3.694) 3.795 7.196 ( -1.202 -0.000 4.261) 4.427 7.277 ( 0.855 0.000 -3.015) 3.134 7.393 ( 0.735 0.000 -4.199) 4.263 7.566 ( -5.166 -0.000 3.264) 6.111 7.695 ( -1.733 -0.000 3.671) 4.059 7.739 ( -0.178 -0.000 -0.445) 0.479 7.777 ( 3.365 0.000 -1.325) 3.617 7.983 ( 0.915 0.000 0.564) 1.075 8.008 ( -0.483 -0.000 -0.049) 0.486 8.172 ( -2.798 -0.000 2.515) 3.762 8.356 ( 2.660 0.000 -3.150) 4.122 8.533 ( -0.031 -0.000 2.039) 2.039 8.596 ( -0.912 -0.000 -1.709) 1.937 9.724 ( -1.079 -0.000 0.213) 1.100 9.787 ( 2.050 0.000 -1.203) 2.377 9.798 ( -1.575 -0.000 1.117) 1.931 9.883 ( 1.161 0.000 -1.631) 2.002 11.886 ( -0.934 -0.000 -1.385) 1.670 11.894 ( 1.464 0.000 -0.575) 1.573 13.456 ( -1.238 -0.000 3.517) 3.728 13.595 ( 0.322 0.000 -1.853) 1.881 14.103 ( -1.756 -0.000 0.484) 1.821 14.170 ( 1.786 0.000 -0.742) 1.934 14.832 ( -2.586 -0.000 0.258) 2.598 14.861 ( 1.163 0.000 1.551) 1.938 ======================= Grid point 133 (68/100) ======================= q-point: (-0.29 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -9.911 -3.098 -6.958) 12.499 0.925 ( -8.980 -4.303 -1.764) 10.112 1.169 ( 2.347 0.876 4.494) 5.145 1.344 ( -1.346 -4.494 0.774) 4.755 1.410 ( -3.320 3.077 1.580) 4.795 1.479 ( -1.620 -1.172 -3.196) 3.770 1.607 ( -1.148 0.396 0.556) 1.335 1.674 ( 2.128 0.035 0.240) 2.142 1.779 ( -4.358 2.238 4.312) 6.526 1.846 ( -2.507 3.908 -2.310) 5.186 1.923 ( -8.477 -4.397 -1.362) 9.646 2.006 ( -0.504 -1.158 -2.025) 2.387 2.070 ( -1.417 -0.737 1.104) 1.942 2.110 ( -1.741 0.908 1.961) 2.775 2.173 ( 3.986 0.967 -1.229) 4.282 2.255 ( 6.647 -2.104 -2.391) 7.370 2.381 ( 3.555 2.649 -0.080) 4.434 2.453 ( -2.389 2.332 -5.582) 6.504 2.493 ( 0.950 0.992 -0.565) 1.485 2.530 ( 3.848 -2.659 -1.296) 4.853 2.622 ( -0.833 -1.691 -1.906) 2.680 2.673 ( 3.589 -0.224 5.172) 6.300 2.772 ( -2.386 -2.342 3.985) 5.202 2.837 ( 2.150 -0.946 -4.341) 4.936 2.918 ( 0.089 1.963 1.873) 2.715 2.990 ( 0.528 -1.228 -0.246) 1.359 3.063 ( 2.349 -0.948 0.644) 2.614 3.111 ( 1.853 -1.090 -1.018) 2.379 3.331 ( -1.658 1.493 -0.092) 2.233 3.410 ( 1.539 2.272 0.347) 2.766 3.534 ( -0.457 2.564 2.700) 3.752 3.670 ( 2.657 -2.443 -2.547) 4.417 3.795 ( -1.870 -2.252 3.477) 4.545 3.902 ( -0.427 2.345 -3.410) 4.161 4.217 ( -2.631 0.257 1.574) 3.077 4.294 ( 0.700 -0.729 -0.383) 1.081 4.388 ( 0.369 0.493 -1.885) 1.983 4.456 ( 1.606 -0.700 -2.746) 3.257 4.793 ( -2.847 0.322 -1.411) 3.194 4.896 ( 3.120 1.030 1.345) 3.551 5.586 ( -0.285 -0.261 1.194) 1.255 5.626 ( 0.109 0.143 -0.887) 0.905 5.977 ( -3.237 2.288 5.325) 6.639 6.195 ( 3.322 0.487 -3.424) 4.796 7.016 ( 0.586 -1.108 1.218) 1.748 7.077 ( 1.478 -0.610 -1.370) 2.105 7.150 ( -0.773 1.063 3.732) 3.957 7.248 ( -0.009 -1.289 3.182) 3.433 7.255 ( 0.844 -0.103 -1.962) 2.138 7.368 ( 1.222 -0.235 -3.691) 3.895 7.548 ( -4.644 0.294 3.646) 5.911 7.696 ( -1.350 1.422 2.177) 2.930 7.742 ( -0.733 -0.504 1.008) 1.344 7.795 ( 4.223 0.871 -1.642) 4.613 7.966 ( -1.146 1.834 0.352) 2.191 8.030 ( 1.032 -1.784 -0.379) 2.095 8.161 ( -3.169 0.754 2.844) 4.324 8.347 ( 2.262 0.310 -3.413) 4.107 8.547 ( -0.248 0.454 1.992) 2.058 8.567 ( -0.921 0.204 -1.688) 1.933 9.727 ( -0.748 -1.228 0.281) 1.465 9.799 ( 1.592 -0.529 -1.145) 2.031 9.810 ( -0.585 -1.582 1.296) 2.127 9.876 ( 0.941 0.326 -1.501) 1.801 11.873 ( -0.744 -0.712 -0.964) 1.410 11.912 ( 1.654 -0.660 0.024) 1.781 13.479 ( -1.230 -0.055 3.659) 3.861 13.585 ( 0.696 -0.390 -1.968) 2.123 14.084 ( -2.038 0.528 0.594) 2.188 14.186 ( 1.873 -0.819 -1.108) 2.325 14.802 ( -2.155 0.832 0.176) 2.317 14.875 ( 0.940 1.809 1.867) 2.764 ======================= Grid point 134 (69/100) ======================= q-point: (-0.14 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -5.905 -8.857 -2.779) 11.002 0.943 ( -8.163 -10.371 -0.003) 13.198 1.167 ( 2.723 2.456 0.586) 3.714 1.380 ( -0.128 -1.026 0.452) 1.128 1.449 ( -2.881 -1.447 -0.598) 3.279 1.469 ( 1.238 -3.411 2.467) 4.388 1.590 ( 0.399 2.564 1.341) 2.921 1.692 ( -0.552 0.054 1.365) 1.473 1.758 ( -1.734 1.432 3.187) 3.900 1.775 ( 0.411 0.016 -0.012) 0.411 1.900 ( 0.581 1.380 -1.964) 2.470 1.992 ( -8.661 -6.229 -0.488) 10.679 2.045 ( -0.603 2.688 0.085) 2.756 2.134 ( -3.165 0.209 -1.323) 3.437 2.173 ( 4.269 -0.959 -1.695) 4.692 2.270 ( -2.743 -1.124 -1.845) 3.491 2.352 ( 1.443 -0.035 -4.503) 4.729 2.407 ( 2.591 1.087 0.824) 2.929 2.475 ( 0.355 2.490 1.893) 3.148 2.579 ( 3.809 -1.153 -3.429) 5.253 2.606 ( -1.099 -0.598 -3.847) 4.046 2.743 ( 1.229 1.407 5.230) 5.553 2.790 ( -2.325 1.253 2.989) 3.988 2.866 ( 1.861 -2.090 -0.082) 2.799 2.896 ( 0.370 -0.527 -1.136) 1.306 3.028 ( 1.063 -1.637 -0.271) 1.971 3.105 ( 0.043 -2.419 0.595) 2.491 3.138 ( 1.524 -0.410 -0.031) 1.578 3.291 ( -1.369 1.371 0.170) 1.945 3.355 ( 0.912 3.739 -1.641) 4.183 3.522 ( -0.662 1.382 1.976) 2.500 3.692 ( 2.081 -0.325 -2.910) 3.593 3.808 ( -0.349 1.723 -3.110) 3.572 3.883 ( 0.687 -2.049 3.371) 4.004 4.209 ( -2.820 -0.509 1.697) 3.330 4.299 ( -2.036 1.109 1.078) 2.557 4.354 ( 1.656 0.117 -2.449) 2.959 4.483 ( 3.055 -1.601 -2.213) 4.098 4.763 ( -1.933 -0.754 -0.446) 2.122 4.908 ( 2.111 2.044 1.207) 3.177 5.596 ( -0.207 -0.299 0.501) 0.619 5.622 ( 0.628 -0.111 -0.551) 0.843 5.942 ( -4.001 3.118 4.605) 6.851 6.181 ( 3.841 0.930 -4.440) 5.944 7.032 ( -0.672 0.416 0.312) 0.850 7.098 ( 1.227 -0.587 0.662) 1.513 7.154 ( -1.441 0.716 2.236) 2.755 7.241 ( 2.165 -0.440 -2.994) 3.721 7.302 ( -0.814 -0.832 3.101) 3.313 7.357 ( 1.408 -0.444 -2.438) 2.850 7.535 ( -4.333 0.156 3.753) 5.735 7.677 ( -1.148 0.785 0.727) 1.569 7.747 ( 0.224 0.515 0.620) 0.836 7.793 ( 3.166 1.631 -2.094) 4.131 7.930 ( -2.246 0.963 1.145) 2.698 8.057 ( 1.259 -0.690 -1.154) 1.842 8.146 ( -3.097 0.490 3.196) 4.477 8.333 ( 2.452 0.171 -3.310) 4.123 8.545 ( -0.438 0.009 -0.211) 0.486 8.554 ( -0.305 0.326 0.721) 0.848 9.754 ( -0.280 -2.029 0.610) 2.137 9.811 ( 1.318 -0.539 -1.213) 1.871 9.847 ( 0.668 -0.245 1.226) 1.417 9.869 ( 1.067 -0.326 -1.136) 1.592 11.872 ( -0.748 -0.905 -0.663) 1.349 11.945 ( 1.453 -1.012 0.656) 1.888 13.494 ( -1.622 0.693 3.095) 3.563 13.588 ( 1.166 -0.847 -1.493) 2.074 14.063 ( -2.186 0.326 0.926) 2.396 14.211 ( 2.905 -0.900 -1.692) 3.480 14.774 ( -1.365 0.747 0.337) 1.592 14.850 ( -0.506 2.782 0.928) 2.976 ======================= Grid point 140 (70/100) ======================= q-point: (-0.29 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -15.101 -0.000 0.259) 15.104 0.768 ( -15.710 -0.000 3.392) 16.072 1.286 ( 0.412 0.000 -2.496) 2.529 1.298 ( 5.172 0.000 7.994) 9.521 1.410 ( -2.443 -0.000 -3.224) 4.045 1.419 ( -15.739 -0.000 9.141) 18.201 1.547 ( -5.644 -0.000 0.601) 5.676 1.628 ( -14.145 -0.000 -0.693) 14.162 1.733 ( 3.978 0.000 0.013) 3.978 1.843 ( -1.349 -0.000 -2.831) 3.136 1.888 ( -2.761 -0.000 0.615) 2.828 1.960 ( 4.717 0.000 -0.511) 4.745 2.008 ( -7.193 -0.000 2.426) 7.591 2.198 ( 1.490 0.000 3.602) 3.898 2.255 ( 10.655 0.000 -4.212) 11.457 2.258 ( 6.535 0.000 -6.300) 9.077 2.351 ( -2.684 -0.000 -12.725) 13.005 2.462 ( 1.738 0.000 -1.670) 2.411 2.463 ( 2.716 0.000 -1.023) 2.902 2.510 ( 2.230 0.000 -3.669) 4.293 2.594 ( -2.741 -0.000 1.305) 3.036 2.760 ( 3.039 0.000 6.055) 6.774 2.777 ( -1.930 -0.000 6.262) 6.553 2.810 ( 3.153 0.000 -5.061) 5.963 2.954 ( -1.383 -0.000 3.806) 4.049 2.983 ( 2.717 0.000 -3.132) 4.146 3.108 ( 2.183 0.000 -1.410) 2.599 3.111 ( 3.468 0.000 2.482) 4.265 3.315 ( -2.788 -0.000 -0.710) 2.877 3.442 ( 1.447 0.000 -0.216) 1.463 3.620 ( 1.538 0.000 3.032) 3.400 3.621 ( 2.197 0.000 -3.714) 4.315 3.777 ( -3.619 -0.000 3.333) 4.920 3.863 ( -1.421 -0.000 -6.223) 6.384 4.204 ( -1.804 -0.000 0.445) 1.858 4.301 ( 0.809 0.000 1.113) 1.377 4.392 ( -0.089 -0.000 0.359) 0.370 4.427 ( 0.762 0.000 -3.240) 3.329 4.758 ( -2.404 -0.000 -1.043) 2.621 4.950 ( 2.982 0.000 1.440) 3.312 5.591 ( -0.417 -0.000 1.008) 1.091 5.617 ( -0.066 -0.000 -1.109) 1.111 6.013 ( -2.994 -0.000 4.044) 5.032 6.198 ( 3.466 0.000 -3.921) 5.233 7.021 ( 0.864 0.000 0.667) 1.091 7.069 ( 1.728 0.000 -2.327) 2.899 7.188 ( -1.133 -0.000 3.569) 3.744 7.239 ( 1.459 0.000 -3.220) 3.535 7.293 ( 1.015 0.000 6.302) 6.383 7.345 ( 1.994 0.000 -3.609) 4.123 7.552 ( -3.009 -0.000 4.593) 5.491 7.723 ( -1.021 -0.000 0.509) 1.141 7.738 ( -1.443 -0.000 3.780) 4.046 7.827 ( 4.561 0.000 -2.495) 5.199 7.988 ( -0.193 -0.000 -0.881) 0.902 8.010 ( 0.633 0.000 0.510) 0.813 8.161 ( -3.379 -0.000 2.790) 4.383 8.335 ( 1.751 0.000 -3.564) 3.971 8.543 ( -0.998 -0.000 -1.497) 1.799 8.567 ( -0.610 -0.000 2.009) 2.100 9.710 ( -0.741 -0.000 0.062) 0.744 9.791 ( -1.759 -0.000 1.726) 2.464 9.805 ( 1.910 0.000 -0.864) 2.096 9.872 ( 0.752 0.000 -1.325) 1.523 11.855 ( -0.354 -0.000 -0.330) 0.484 11.925 ( 1.727 0.000 0.397) 1.772 13.508 ( -0.767 -0.000 4.533) 4.598 13.570 ( 0.892 0.000 -2.040) 2.227 14.072 ( -2.042 -0.000 0.369) 2.075 14.184 ( 1.235 0.000 -0.935) 1.549 14.790 ( -1.929 -0.000 0.080) 1.931 14.931 ( 2.155 0.000 2.280) 3.137 ======================= Grid point 141 (71/100) ======================= q-point: (-0.14 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -11.217 -6.800 7.700) 15.210 0.708 ( -15.807 -6.844 7.062) 18.617 1.220 ( -1.615 1.733 0.210) 2.378 1.364 ( -11.789 -3.736 2.603) 12.637 1.402 ( -1.615 -0.115 7.177) 7.358 1.443 ( -0.404 -5.313 4.038) 6.686 1.556 ( -5.943 -5.316 2.450) 8.341 1.611 ( -3.101 -7.422 -0.457) 8.057 1.735 ( -0.756 4.047 1.677) 4.445 1.787 ( 1.655 0.613 0.323) 1.794 1.847 ( -4.229 0.905 -0.862) 4.410 1.919 ( -3.160 0.475 -2.103) 3.825 2.081 ( 0.217 1.491 -2.073) 2.562 2.154 ( 0.536 -1.392 -1.959) 2.463 2.195 ( 0.786 4.004 0.990) 4.199 2.256 ( 4.822 2.259 -7.629) 9.304 2.319 ( 5.730 -0.881 -5.778) 8.185 2.440 ( 0.421 0.567 0.969) 1.199 2.503 ( 2.692 -0.712 -3.593) 4.546 2.529 ( 1.960 -3.361 -2.615) 4.688 2.570 ( -1.979 0.456 -0.644) 2.131 2.788 ( -0.009 0.599 -1.201) 1.342 2.837 ( 2.071 -0.531 3.374) 3.995 2.849 ( 1.468 -2.086 4.298) 4.998 2.931 ( 0.535 4.148 -0.798) 4.258 3.001 ( -0.355 -1.984 0.606) 2.105 3.110 ( 0.119 1.336 0.388) 1.397 3.142 ( 3.219 -0.198 -1.061) 3.395 3.284 ( -2.406 -0.069 0.583) 2.477 3.420 ( 1.413 3.866 -2.469) 4.800 3.553 ( 0.424 2.036 -1.490) 2.558 3.678 ( 1.170 -0.512 -1.052) 1.654 3.785 ( -1.471 -0.899 -1.074) 2.031 3.847 ( -0.482 -5.461 -0.485) 5.504 4.191 ( -2.258 0.295 1.052) 2.508 4.317 ( -0.928 0.806 2.476) 2.764 4.359 ( 0.938 1.667 -2.155) 2.882 4.449 ( 1.575 -2.993 -1.774) 3.819 4.735 ( -1.667 -0.309 0.102) 1.699 4.972 ( 1.970 1.649 1.076) 2.785 5.594 ( -0.375 -0.101 0.466) 0.607 5.615 ( 0.596 -0.750 -0.904) 1.317 5.989 ( -4.013 2.576 2.918) 5.591 6.188 ( 3.867 0.566 -4.731) 6.136 7.031 ( 0.110 0.255 -0.817) 0.863 7.078 ( 1.383 -1.962 -1.556) 2.861 7.191 ( -1.643 1.511 2.696) 3.500 7.230 ( 2.080 -0.346 -2.383) 3.182 7.336 ( 1.388 0.642 0.211) 1.544 7.350 ( 0.797 0.557 2.400) 2.590 7.554 ( -2.955 2.395 4.561) 5.938 7.694 ( -1.884 2.018 1.159) 2.995 7.752 ( -1.415 -0.290 1.142) 1.841 7.831 ( 3.914 1.332 -3.219) 5.239 7.951 ( -0.556 2.385 0.296) 2.467 8.039 ( 0.969 -1.601 -0.736) 2.011 8.151 ( -3.318 0.382 2.843) 4.386 8.321 ( 1.923 -0.246 -3.405) 3.918 8.528 ( -0.387 -0.347 -0.787) 0.943 8.572 ( -0.928 0.508 1.599) 1.917 9.726 ( -0.102 -1.977 0.455) 2.031 9.804 ( 0.837 -0.713 -0.786) 1.352 9.840 ( 1.089 -2.643 -0.139) 2.862 9.872 ( 1.389 0.368 0.818) 1.653 11.856 ( -0.113 -0.287 0.328) 0.451 11.951 ( 1.332 -0.638 0.661) 1.618 13.533 ( -0.280 1.607 3.530) 3.888 13.572 ( 1.094 -0.835 -0.796) 1.589 14.056 ( -1.864 0.272 0.821) 2.055 14.202 ( 2.338 -1.604 -1.487) 3.201 14.771 ( -1.384 0.321 0.109) 1.425 14.912 ( -0.764 4.775 -0.082) 4.836 ======================= Grid point 148 (72/100) ======================= q-point: (-0.14 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -12.319 -0.000 16.144) 20.307 0.601 ( -15.529 -0.000 14.868) 21.499 1.139 ( -26.633 -0.000 24.289) 36.045 1.308 ( -2.526 -0.000 -1.335) 2.857 1.326 ( 0.640 0.000 -0.303) 0.708 1.484 ( -1.182 -0.000 2.369) 2.647 1.540 ( 2.702 0.000 -3.448) 4.381 1.557 ( 3.386 0.000 6.770) 7.570 1.719 ( -3.558 -0.000 -6.121) 7.080 1.825 ( -2.546 -0.000 0.581) 2.611 1.841 ( -5.026 -0.000 0.056) 5.026 1.860 ( 0.839 0.000 6.114) 6.171 2.036 ( -2.290 -0.000 -3.570) 4.241 2.162 ( 5.585 0.000 3.122) 6.399 2.234 ( 3.658 0.000 -5.909) 6.950 2.263 ( 0.372 0.000 0.939) 1.010 2.329 ( 6.461 0.000 -6.968) 9.503 2.468 ( 1.771 0.000 -1.415) 2.267 2.469 ( 1.033 0.000 -0.781) 1.295 2.518 ( 3.657 0.000 -2.045) 4.190 2.537 ( -2.714 -0.000 -0.477) 2.755 2.781 ( 3.009 0.000 -3.705) 4.773 2.850 ( -2.483 -0.000 4.890) 5.484 2.906 ( 1.811 0.000 3.724) 4.141 2.970 ( -2.250 -0.000 1.400) 2.650 2.985 ( 3.523 0.000 -3.332) 4.849 3.119 ( 1.251 0.000 -1.327) 1.824 3.137 ( -4.049 -0.000 -4.072) 5.742 3.303 ( 2.507 0.000 4.193) 4.885 3.429 ( 0.564 0.000 -3.356) 3.403 3.549 ( 1.069 0.000 -8.043) 8.114 3.679 ( -0.160 -0.000 1.296) 1.306 3.737 ( -1.955 -0.000 -0.592) 2.042 3.755 ( -4.371 -0.000 2.862) 5.224 4.196 ( -1.202 -0.000 1.921) 2.266 4.343 ( 0.184 0.000 1.665) 1.675 4.386 ( -0.715 -0.000 -0.110) 0.723 4.391 ( 1.182 0.000 -2.314) 2.598 4.726 ( -0.928 -0.000 1.305) 1.601 5.006 ( 0.872 0.000 0.122) 0.880 5.594 ( -0.423 -0.000 0.443) 0.613 5.601 ( 0.390 0.000 -0.713) 0.813 5.986 ( -5.053 -0.000 1.042) 5.159 6.184 ( 4.104 0.000 -5.372) 6.760 7.034 ( 0.129 0.000 -0.522) 0.538 7.046 ( 0.882 0.000 -2.641) 2.785 7.205 ( -2.423 -0.000 1.889) 3.072 7.226 ( 2.426 0.000 -2.031) 3.164 7.344 ( 3.051 0.000 -1.837) 3.562 7.403 ( -0.690 -0.000 3.586) 3.652 7.611 ( -0.620 -0.000 1.063) 1.231 7.714 ( -4.776 -0.000 -0.897) 4.859 7.722 ( -0.765 -0.000 1.237) 1.455 7.845 ( 3.662 0.000 -4.037) 5.451 7.980 ( 0.439 0.000 -0.410) 0.600 8.022 ( 0.550 0.000 -0.304) 0.628 8.147 ( -3.223 -0.000 2.613) 4.149 8.306 ( 2.130 0.000 -3.199) 3.843 8.520 ( 0.210 0.000 0.043) 0.214 8.578 ( -1.359 -0.000 1.265) 1.856 9.701 ( -0.391 -0.000 0.329) 0.511 9.796 ( -1.697 -0.000 2.335) 2.886 9.824 ( 1.397 0.000 -1.045) 1.745 9.914 ( 4.195 0.000 1.462) 4.443 11.863 ( 0.189 0.000 1.234) 1.248 11.963 ( 0.897 0.000 0.634) 1.098 13.558 ( 1.504 0.000 -1.615) 2.207 13.608 ( 2.485 0.000 2.902) 3.821 14.054 ( -1.062 -0.000 1.616) 1.934 14.186 ( 1.034 0.000 -1.047) 1.471 14.761 ( -1.097 -0.000 -0.086) 1.100 14.924 ( -3.845 -0.000 -5.798) 6.957 ======================= Grid point 149 (73/100) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -4.985 -0.000 10.525) 11.646 1.001 ( -2.451 -0.000 13.303) 13.527 1.189 ( 6.932 0.000 -7.082) 9.910 1.292 ( -1.447 -0.000 -11.659) 11.748 1.483 ( 0.670 0.000 11.377) 11.397 1.554 ( -2.520 -0.000 2.599) 3.620 1.601 ( 2.423 0.000 1.223) 2.714 1.690 ( -1.478 -0.000 -0.503) 1.561 1.715 ( -0.518 -0.000 -1.406) 1.498 1.716 ( 1.384 0.000 -4.857) 5.050 1.818 ( 1.601 0.000 2.260) 2.769 1.846 ( -4.039 -0.000 1.830) 4.434 2.132 ( -4.657 -0.000 7.094) 8.486 2.227 ( -1.093 -0.000 -1.553) 1.899 2.250 ( -3.018 -0.000 3.794) 4.848 2.308 ( 3.082 0.000 -0.158) 3.086 2.322 ( 6.917 0.000 -0.977) 6.986 2.390 ( 0.066 0.000 -0.936) 0.939 2.465 ( 1.348 0.000 -2.399) 2.751 2.502 ( 3.311 0.000 -7.353) 8.064 2.656 ( 1.936 0.000 5.500) 5.831 2.704 ( -0.794 -0.000 -1.276) 1.502 2.817 ( -0.591 -0.000 -1.410) 1.529 2.867 ( 1.079 0.000 -5.601) 5.704 2.938 ( -5.551 -0.000 2.698) 6.172 2.982 ( 4.740 0.000 -1.745) 5.051 3.014 ( -4.543 -0.000 1.776) 4.878 3.055 ( 2.823 0.000 -2.665) 3.882 3.345 ( -1.306 -0.000 0.803) 1.533 3.376 ( 0.695 0.000 -2.240) 2.346 3.548 ( 5.209 0.000 2.816) 5.921 3.603 ( -3.164 -0.000 -2.883) 4.281 3.764 ( -2.697 -0.000 0.986) 2.872 3.767 ( 1.562 0.000 0.653) 1.693 4.267 ( -2.944 -0.000 2.947) 4.165 4.323 ( 3.687 0.000 -2.860) 4.666 4.382 ( -0.223 -0.000 0.963) 0.988 4.398 ( 0.230 0.000 -0.433) 0.490 4.849 ( 1.389 0.000 4.202) 4.426 4.925 ( -1.593 -0.000 -3.660) 3.992 5.601 ( -0.779 -0.000 0.253) 0.819 5.605 ( 0.967 0.000 -0.119) 0.975 5.956 ( -6.155 -0.000 4.234) 7.471 6.052 ( 5.670 0.000 -5.802) 8.113 6.994 ( -1.735 -0.000 -0.051) 1.736 7.003 ( 1.831 0.000 -0.980) 2.076 7.196 ( -2.930 -0.000 1.119) 3.137 7.218 ( 2.414 0.000 -1.259) 2.722 7.374 ( -5.181 -0.000 0.304) 5.190 7.380 ( 4.327 0.000 -0.315) 4.339 7.616 ( -4.300 -0.000 5.826) 7.241 7.725 ( 3.504 0.000 -5.615) 6.619 7.728 ( -1.339 -0.000 1.581) 2.072 7.749 ( 0.704 0.000 -0.443) 0.832 7.987 ( 0.185 0.000 0.628) 0.655 8.003 ( -0.141 -0.000 -0.919) 0.929 8.186 ( -3.404 -0.000 2.942) 4.499 8.244 ( 3.663 0.000 -3.191) 4.858 8.567 ( 1.607 0.000 0.699) 1.752 8.573 ( -1.660 -0.000 0.013) 1.661 9.748 ( -0.433 -0.000 2.284) 2.325 9.790 ( 0.808 0.000 -2.120) 2.268 9.854 ( -1.941 -0.000 2.650) 3.285 9.908 ( 1.887 0.000 -3.068) 3.602 11.942 ( 0.390 0.000 1.925) 1.964 11.969 ( -0.379 -0.000 -0.891) 0.968 13.559 ( 2.491 0.000 -0.160) 2.497 13.566 ( -2.964 -0.000 -0.992) 3.126 14.126 ( -1.007 -0.000 2.070) 2.302 14.161 ( 1.110 0.000 -1.603) 1.949 14.740 ( -1.663 -0.000 0.088) 1.665 14.743 ( 0.627 0.000 -0.204) 0.659 ======================= Grid point 150 (74/100) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -2.100 1.674 6.546) 7.076 1.071 ( 4.559 0.467 -4.445) 6.385 1.214 ( 1.718 -2.812 6.568) 7.349 1.252 ( 4.983 -2.353 -7.993) 9.708 1.521 ( -2.053 1.573 0.288) 2.602 1.533 ( -1.230 4.334 5.203) 6.882 1.622 ( 0.145 -0.758 0.452) 0.895 1.655 ( 2.629 -0.838 -7.140) 7.654 1.717 ( 1.285 0.639 1.296) 1.934 1.724 ( 0.895 -0.903 -0.912) 1.564 1.838 ( 0.251 2.572 1.322) 2.903 1.853 ( 2.370 -1.913 0.242) 3.056 2.137 ( -5.850 0.608 6.293) 8.614 2.216 ( -4.461 -1.231 2.825) 5.422 2.231 ( 0.541 0.586 -1.368) 1.584 2.308 ( 1.442 1.003 -2.481) 3.039 2.384 ( -0.419 -1.092 -1.632) 2.008 2.389 ( 0.986 -1.620 -0.200) 1.907 2.468 ( 0.517 -2.305 -0.183) 2.370 2.473 ( 0.975 -1.245 -5.360) 5.589 2.662 ( -0.162 2.361 -4.435) 5.027 2.689 ( 2.349 2.696 2.734) 4.502 2.812 ( -0.638 -0.049 2.525) 2.605 2.849 ( 2.589 -1.421 -3.009) 4.216 2.926 ( -6.315 -2.005 2.605) 7.119 2.996 ( -1.061 -1.410 1.710) 2.457 3.041 ( 0.238 -2.603 -0.677) 2.700 3.084 ( 2.319 -2.531 -1.632) 3.801 3.337 ( -1.806 1.169 1.757) 2.778 3.361 ( 0.632 0.736 -1.278) 1.605 3.529 ( -2.048 1.271 -2.753) 3.659 3.585 ( 3.517 2.672 1.514) 4.670 3.780 ( -0.793 -2.680 -0.542) 2.847 3.805 ( 1.699 -1.382 1.101) 2.451 4.260 ( -2.484 0.534 2.845) 3.815 4.322 ( 3.747 0.901 -3.209) 5.015 4.382 ( -0.818 0.698 1.115) 1.549 4.409 ( 1.923 -0.682 -1.371) 2.458 4.871 ( -1.607 0.434 -3.668) 4.028 4.897 ( 1.181 0.572 3.905) 4.120 5.596 ( -0.987 -0.254 0.228) 1.045 5.613 ( 0.722 -0.149 -0.389) 0.834 5.942 ( -5.606 0.079 5.317) 7.727 6.057 ( 5.857 0.131 -4.959) 7.675 6.987 ( -1.770 -1.011 0.560) 2.114 7.022 ( 1.743 -0.933 -0.541) 2.050 7.181 ( -3.068 -0.359 1.396) 3.390 7.232 ( 1.523 -0.563 -0.966) 1.890 7.327 ( -3.741 0.826 0.792) 3.912 7.413 ( 4.262 0.987 -0.188) 4.378 7.628 ( -3.452 0.509 5.671) 6.659 7.692 ( 2.402 1.392 -3.793) 4.700 7.734 ( -0.852 -0.341 -0.016) 0.917 7.747 ( 0.399 0.198 -0.551) 0.708 7.993 ( -0.397 0.122 1.314) 1.378 7.996 ( -0.111 -0.333 -1.369) 1.414 8.184 ( -2.957 -0.176 3.039) 4.244 8.251 ( 3.798 -0.027 -3.243) 4.994 8.553 ( -1.511 0.334 -0.254) 1.568 8.583 ( 1.581 0.502 0.328) 1.690 9.772 ( -0.552 -1.026 1.743) 2.097 9.784 ( 0.607 -0.901 -2.086) 2.352 9.856 ( -2.011 0.332 2.423) 3.166 9.890 ( 1.288 0.815 -2.381) 2.827 11.950 ( -0.887 0.385 -1.060) 1.435 11.962 ( 0.381 -0.085 1.066) 1.135 13.528 ( -3.395 0.226 0.272) 3.413 13.581 ( 2.137 0.166 0.191) 2.152 14.128 ( -1.675 0.446 2.209) 2.808 14.158 ( 1.224 -0.373 -2.376) 2.698 14.740 ( 0.252 -0.370 0.480) 0.657 14.758 ( 1.823 -0.216 0.359) 1.870 ======================= Grid point 151 (75/100) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 1.014 2.324 -2.974) 3.909 1.117 ( 6.508 -0.984 -3.788) 7.594 1.265 ( 4.817 -3.962 -6.562) 9.053 1.356 ( 0.229 -2.810 6.249) 6.856 1.471 ( -2.026 5.840 2.280) 6.588 1.500 ( 2.306 -0.454 -0.875) 2.508 1.607 ( 0.585 2.422 0.529) 2.547 1.660 ( 0.329 -0.635 -0.553) 0.904 1.692 ( 4.738 3.002 -2.223) 6.034 1.754 ( 0.315 -0.278 1.451) 1.511 1.798 ( -2.072 0.926 2.817) 3.617 1.931 ( 4.172 -1.333 0.655) 4.428 2.113 ( -6.561 -0.256 2.381) 6.984 2.178 ( -4.334 0.853 -2.544) 5.097 2.242 ( 0.916 -2.403 -2.417) 3.530 2.316 ( 1.963 -0.989 1.493) 2.657 2.363 ( -2.171 -0.312 -0.497) 2.249 2.406 ( 0.835 -1.078 -2.552) 2.893 2.462 ( -0.078 -1.524 -2.419) 2.860 2.513 ( -1.524 -1.780 0.059) 2.344 2.576 ( 2.137 2.250 -5.132) 5.998 2.696 ( 1.104 1.534 2.665) 3.268 2.846 ( 0.995 -1.422 1.695) 2.426 2.877 ( 1.206 -0.774 -0.521) 1.525 2.930 ( -4.798 -1.739 3.226) 6.038 3.035 ( 1.330 -0.380 -1.850) 2.310 3.063 ( -3.917 -3.376 3.111) 6.035 3.138 ( 1.447 -2.967 -1.167) 3.502 3.293 ( -2.608 2.306 0.803) 3.572 3.342 ( -0.045 1.449 -0.070) 1.451 3.498 ( -0.210 -0.912 -1.313) 1.613 3.588 ( 2.616 1.129 0.385) 2.875 3.795 ( -0.196 -0.515 -1.461) 1.562 3.855 ( 1.104 -1.097 2.027) 2.556 4.258 ( -1.655 0.564 2.227) 2.832 4.312 ( 4.079 0.143 -4.287) 5.920 4.368 ( -1.409 1.470 1.870) 2.764 4.426 ( 2.137 -0.677 -1.472) 2.682 4.820 ( -1.033 0.369 -2.604) 2.826 4.918 ( 0.438 1.749 2.749) 3.287 5.598 ( -0.910 -0.655 0.600) 1.272 5.615 ( 0.610 0.047 -0.639) 0.885 5.943 ( -5.064 -0.260 5.521) 7.496 6.066 ( 5.362 0.188 -4.119) 6.764 6.998 ( -1.467 -1.412 0.610) 2.125 7.055 ( 1.117 -1.454 0.578) 1.923 7.174 ( -2.770 -0.543 1.220) 3.075 7.245 ( 1.522 -0.237 -1.277) 2.001 7.295 ( -2.600 0.258 0.980) 2.791 7.419 ( 3.304 2.204 -0.835) 4.058 7.635 ( -2.894 0.920 4.806) 5.685 7.664 ( 2.638 0.880 -3.064) 4.138 7.718 ( -0.965 0.335 -1.033) 1.453 7.743 ( -0.457 0.248 0.389) 0.649 7.985 ( -0.219 0.013 -1.045) 1.067 8.002 ( -0.687 -0.499 1.092) 1.384 8.192 ( -2.558 -0.407 3.144) 4.073 8.259 ( 3.917 -0.069 -3.167) 5.038 8.536 ( -0.984 -0.071 -0.045) 0.987 8.586 ( 1.329 1.058 -0.079) 1.701 9.792 ( 0.185 -1.310 -0.624) 1.462 9.797 ( -0.210 -1.098 0.087) 1.122 9.847 ( -1.283 0.557 0.874) 1.650 9.870 ( 0.450 0.950 -0.452) 1.144 11.918 ( -1.103 0.696 -1.423) 1.930 11.975 ( 0.378 -0.030 0.748) 0.839 13.505 ( -3.073 -0.316 1.331) 3.363 13.594 ( 1.810 0.512 -0.288) 1.903 14.116 ( -2.020 0.733 1.051) 2.393 14.161 ( 1.630 -0.667 -1.491) 2.308 14.757 ( 0.734 -0.389 0.372) 0.911 14.784 ( 1.792 -0.004 0.728) 1.934 ======================= Grid point 152 (76/100) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 1.446 2.356 -3.644) 4.574 1.170 ( 5.609 -4.332 -4.567) 8.431 1.278 ( -0.888 4.744 -1.494) 5.053 1.371 ( -1.364 2.576 1.586) 3.318 1.417 ( 0.841 0.583 1.916) 2.172 1.536 ( 0.614 -1.522 0.282) 1.665 1.594 ( -0.398 0.611 2.037) 2.163 1.650 ( 4.550 2.351 -3.595) 6.257 1.719 ( 4.057 -0.524 0.973) 4.205 1.775 ( 0.196 -2.549 2.762) 3.764 1.827 ( -0.392 -0.172 3.542) 3.568 1.978 ( 3.565 -0.892 -1.681) 4.041 2.063 ( -5.330 1.945 -3.247) 6.537 2.079 ( -4.318 -0.093 -0.800) 4.392 2.264 ( -2.015 -0.682 0.279) 2.145 2.343 ( -1.064 0.253 0.540) 1.220 2.385 ( 0.381 -2.621 -0.265) 2.661 2.405 ( 1.497 0.769 2.271) 2.827 2.467 ( -1.144 -0.791 -0.022) 1.391 2.507 ( -0.334 -1.226 -2.949) 3.211 2.540 ( 3.694 1.883 -3.707) 5.562 2.706 ( 0.003 -0.360 0.994) 1.057 2.873 ( -1.628 -0.628 -0.073) 1.746 2.904 ( -0.178 -0.133 3.602) 3.609 2.941 ( -1.905 -0.602 1.962) 2.800 3.008 ( 1.767 0.667 -3.414) 3.902 3.122 ( -2.327 -2.814 2.701) 4.542 3.172 ( 0.403 -0.790 -0.480) 1.008 3.253 ( -1.544 0.357 1.106) 1.932 3.310 ( 0.140 1.637 -1.267) 2.075 3.509 ( -0.459 -0.871 0.128) 0.993 3.607 ( 2.216 -0.686 -1.168) 2.597 3.772 ( -0.537 1.109 -0.677) 1.406 3.897 ( 1.049 -1.148 1.106) 1.908 4.242 ( -0.736 0.976 0.017) 1.222 4.326 ( 2.588 -0.950 -1.840) 3.315 4.341 ( -2.295 1.659 2.000) 3.467 4.443 ( 2.401 -0.517 -1.884) 3.096 4.797 ( -0.414 -0.060 -0.649) 0.772 4.906 ( -0.010 1.574 1.245) 2.007 5.604 ( -0.704 -0.216 0.254) 0.779 5.616 ( 0.709 -0.127 -0.267) 0.768 5.953 ( -4.320 -0.796 4.511) 6.296 6.076 ( 4.315 0.018 -3.602) 5.621 7.013 ( -0.972 -1.074 0.574) 1.558 7.098 ( 0.714 -1.574 1.119) 2.059 7.164 ( -2.489 -0.227 0.874) 2.648 7.234 ( 1.660 1.340 -1.819) 2.804 7.294 ( -1.270 -1.228 0.675) 1.892 7.395 ( 1.660 2.252 -0.973) 2.963 7.628 ( -3.402 1.386 4.142) 5.536 7.661 ( 2.561 -0.118 -1.878) 3.178 7.697 ( 0.102 -0.274 -1.697) 1.722 7.738 ( -0.525 -0.040 0.158) 0.549 7.972 ( -1.097 0.569 0.542) 1.350 8.016 ( 0.315 -0.980 -0.208) 1.050 8.200 ( -2.757 -0.190 2.908) 4.012 8.269 ( 3.666 -0.035 -2.982) 4.726 8.540 ( -0.538 -1.004 0.521) 1.252 8.573 ( 0.865 1.505 -0.404) 1.782 9.800 ( -0.161 -0.011 -0.350) 0.386 9.812 ( 0.380 -0.712 -0.277) 0.854 9.842 ( -0.385 -0.171 0.443) 0.612 9.859 ( 0.099 0.403 0.093) 0.425 11.887 ( -0.730 0.605 -0.857) 1.278 11.983 ( 0.323 0.147 0.391) 0.528 13.503 ( -2.138 -0.797 1.559) 2.763 13.594 ( 1.379 0.699 -0.783) 1.733 14.094 ( -1.791 0.594 0.848) 2.068 14.177 ( 1.885 -0.585 -1.247) 2.335 14.769 ( 0.282 -0.084 0.279) 0.405 14.802 ( 0.656 -0.151 0.385) 0.776 ======================= Grid point 153 (77/100) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.230 1.050 0.526) 1.196 1.108 ( -4.868 9.542 1.780) 10.859 1.270 ( 0.799 -4.910 -1.375) 5.161 1.354 ( 2.803 5.142 4.424) 7.339 1.404 ( -0.065 1.388 0.748) 1.579 1.587 ( 1.014 -4.192 -1.900) 4.713 1.598 ( -1.210 -0.778 1.139) 1.834 1.667 ( 2.751 -3.627 -4.912) 6.697 1.736 ( 0.661 -0.481 -1.226) 1.474 1.803 ( -4.002 2.470 0.093) 4.703 1.856 ( -0.239 0.042 1.377) 1.398 1.966 ( -1.821 -0.278 -0.897) 2.049 2.025 ( 2.647 -1.253 -0.332) 2.947 2.077 ( 2.819 -2.293 -1.155) 3.812 2.211 ( -6.572 5.988 6.836) 11.215 2.328 ( 0.124 2.247 0.735) 2.368 2.352 ( -1.235 3.177 1.693) 3.805 2.463 ( 1.047 1.657 1.118) 2.257 2.473 ( -1.388 -0.796 -3.762) 4.089 2.488 ( -0.580 -2.598 1.347) 2.983 2.511 ( 2.825 0.723 -3.159) 4.299 2.737 ( 1.841 -2.641 -1.817) 3.697 2.847 ( -5.381 1.003 2.608) 6.063 2.911 ( -1.545 1.127 1.939) 2.724 2.959 ( 0.986 -0.496 1.933) 2.226 3.003 ( 4.228 0.044 -3.651) 5.587 3.154 ( 1.259 0.350 -0.339) 1.350 3.160 ( -1.236 1.298 0.773) 1.952 3.277 ( 1.305 -0.646 -1.414) 2.030 3.286 ( -0.113 -1.603 1.128) 1.963 3.509 ( -0.734 0.275 -0.229) 0.816 3.620 ( 1.391 -0.637 -2.237) 2.710 3.756 ( -0.565 -0.090 0.725) 0.923 3.928 ( 1.286 -1.042 -1.641) 2.331 4.221 ( -1.961 0.563 1.361) 2.453 4.303 ( -1.843 1.646 1.300) 2.792 4.357 ( 0.591 -1.221 0.151) 1.364 4.449 ( 2.349 0.143 -2.556) 3.474 4.785 ( -0.446 1.227 0.690) 1.477 4.915 ( 0.401 -1.716 0.316) 1.791 5.602 ( -0.379 -0.087 0.238) 0.456 5.621 ( 0.853 0.265 -0.521) 1.035 5.967 ( -3.983 -1.364 3.198) 5.287 6.080 ( 3.720 -0.038 -4.046) 5.497 7.017 ( -0.742 0.110 0.134) 0.762 7.116 ( -0.124 0.852 -0.724) 1.125 7.168 ( -0.523 -1.334 1.217) 1.880 7.219 ( 1.251 0.372 -0.831) 1.547 7.308 ( 0.941 -0.346 -0.600) 1.169 7.376 ( -0.861 0.073 0.880) 1.233 7.606 ( -4.071 0.936 3.565) 5.492 7.676 ( 0.688 -0.319 0.564) 0.945 7.704 ( 2.669 -1.747 -3.580) 4.795 7.742 ( 0.333 -0.639 -0.201) 0.748 7.956 ( -1.794 0.787 1.687) 2.586 8.031 ( 1.349 -0.526 -1.244) 1.909 8.199 ( -3.261 -0.080 2.895) 4.362 8.271 ( 2.992 0.359 -3.115) 4.334 8.549 ( 0.441 1.350 -0.370) 1.467 8.563 ( -0.693 -1.276 0.692) 1.609 9.796 ( 0.155 0.236 0.118) 0.306 9.809 ( 0.082 1.236 -0.001) 1.239 9.847 ( 0.200 -0.173 -0.130) 0.295 9.865 ( 0.668 -0.907 -0.481) 1.225 11.875 ( 0.064 0.116 0.361) 0.384 11.985 ( 0.228 0.294 0.206) 0.425 13.514 ( -0.456 -0.815 0.652) 1.139 13.588 ( 0.374 0.366 -0.331) 0.619 14.082 ( -1.637 0.212 1.665) 2.344 14.188 ( 2.293 -0.082 -2.028) 3.062 14.770 ( -0.422 0.216 0.226) 0.525 14.809 ( -0.876 -0.810 -0.316) 1.235 ======================= Grid point 154 (78/100) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -3.179 -0.541 6.243) 7.027 0.957 ( -6.271 6.420 9.415) 13.007 1.226 ( -3.968 4.250 -0.251) 5.820 1.393 ( 2.384 0.287 1.600) 2.885 1.420 ( 2.837 -0.724 1.421) 3.254 1.593 ( -6.215 -2.594 -3.824) 7.745 1.622 ( 1.374 1.595 0.697) 2.218 1.643 ( -2.255 0.579 -3.016) 3.810 1.732 ( -0.702 -2.352 -3.042) 3.909 1.779 ( 0.975 -2.368 -1.381) 2.909 1.847 ( 0.805 -0.066 -1.250) 1.488 1.924 ( -4.901 2.667 2.729) 6.211 2.092 ( -6.684 0.929 9.424) 11.591 2.130 ( 3.803 2.938 3.135) 5.738 2.148 ( 6.470 -1.313 -0.164) 6.604 2.278 ( -0.858 4.039 1.648) 4.446 2.324 ( 1.290 2.008 0.822) 2.524 2.419 ( -2.085 -0.764 -2.057) 3.027 2.487 ( 1.715 -0.572 -0.562) 1.893 2.496 ( 0.502 0.100 0.154) 0.535 2.532 ( 3.139 -0.508 -1.345) 3.452 2.766 ( -0.261 -1.522 -2.825) 3.219 2.805 ( -3.740 0.219 1.800) 4.157 2.907 ( 1.152 -0.155 -0.239) 1.187 2.992 ( -0.325 0.102 2.310) 2.335 3.000 ( 3.551 1.305 -3.420) 5.100 3.116 ( -0.511 2.808 0.041) 2.854 3.133 ( 1.821 2.412 -2.373) 3.842 3.293 ( 0.162 -1.688 0.416) 1.746 3.346 ( 1.371 -2.537 0.390) 2.910 3.482 ( -0.445 1.317 -0.963) 1.691 3.620 ( -0.048 -1.449 -2.320) 2.736 3.770 ( -0.021 -0.181 0.993) 1.010 3.903 ( -0.237 2.353 -2.726) 3.608 4.221 ( -3.074 -0.648 3.972) 5.064 4.288 ( -0.424 -0.585 -0.080) 0.727 4.377 ( -0.308 -0.419 0.906) 1.044 4.436 ( 1.718 0.927 -2.530) 3.195 4.776 ( 0.052 0.776 2.047) 2.189 4.954 ( 0.069 -2.370 -0.975) 2.564 5.603 ( -0.544 -0.083 0.533) 0.766 5.613 ( 1.206 0.879 -0.954) 1.771 5.978 ( -4.634 -1.540 2.725) 5.592 6.072 ( 4.007 0.159 -5.380) 6.710 7.004 ( -0.199 0.631 -0.153) 0.680 7.076 ( -0.320 1.885 -1.515) 2.439 7.194 ( 1.493 -0.397 -0.326) 1.579 7.224 ( -0.434 -0.190 0.391) 0.614 7.317 ( 3.012 0.081 -1.338) 3.297 7.393 ( -3.348 -2.423 2.068) 4.621 7.596 ( -4.244 -0.415 3.862) 5.753 7.692 ( -0.220 -0.694 0.751) 1.046 7.727 ( 3.138 -1.560 -3.761) 5.141 7.754 ( 0.641 -0.320 -0.609) 0.940 7.952 ( -0.882 -0.104 1.802) 2.009 8.032 ( 1.325 0.364 -1.575) 2.091 8.196 ( -3.634 -0.179 3.038) 4.740 8.258 ( 2.653 0.702 -3.349) 4.330 8.534 ( 0.705 0.645 0.084) 0.959 8.580 ( -1.239 -1.050 0.606) 1.733 9.776 ( -0.287 2.312 0.559) 2.396 9.803 ( 0.583 -0.074 -0.054) 0.590 9.846 ( -0.169 0.200 0.089) 0.277 9.887 ( 1.712 -1.202 -1.281) 2.453 11.889 ( 0.632 -0.284 1.516) 1.667 11.982 ( 0.087 0.299 0.014) 0.312 13.528 ( 1.728 -0.237 -0.939) 1.981 13.588 ( -1.144 -0.810 0.418) 1.463 14.087 ( -1.444 -0.200 2.588) 2.970 14.185 ( 2.457 0.533 -2.659) 3.659 14.760 ( -0.808 0.276 -0.007) 0.854 14.802 ( -2.616 -0.948 -1.065) 2.979 ======================= Grid point 155 (79/100) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -6.219 0.115 10.962) 12.604 0.986 ( -5.829 3.832 15.485) 16.984 1.159 ( 1.442 -3.371 -5.777) 6.843 1.397 ( 2.424 1.687 -0.146) 2.957 1.432 ( -3.856 0.694 -2.526) 4.661 1.530 ( -1.015 -0.501 1.494) 1.874 1.597 ( 0.380 2.646 1.772) 3.208 1.661 ( -1.790 -0.871 5.616) 5.958 1.726 ( 0.230 -1.616 -3.857) 4.188 1.761 ( 0.217 1.240 -3.376) 3.603 1.837 ( -3.529 3.488 2.899) 5.747 1.874 ( -2.988 -0.706 0.867) 3.190 2.101 ( -5.851 -1.663 6.306) 8.762 2.187 ( 3.454 -0.483 2.172) 4.109 2.231 ( 8.101 -1.201 -2.202) 8.480 2.269 ( 0.692 -0.049 3.196) 3.271 2.305 ( 1.568 2.515 0.172) 2.968 2.397 ( -0.257 0.158 -1.189) 1.227 2.477 ( 2.828 1.302 -2.423) 3.945 2.529 ( 1.132 -0.078 -1.074) 1.563 2.573 ( 3.201 -1.440 2.467) 4.290 2.735 ( -2.017 0.674 -1.033) 2.365 2.811 ( -0.694 -2.820 -1.917) 3.480 2.909 ( 1.072 -0.077 -3.983) 4.126 2.972 ( 1.588 1.796 -1.336) 2.744 2.979 ( -1.456 1.862 1.351) 2.723 3.061 ( -1.986 2.269 0.032) 3.016 3.085 ( 2.413 2.613 -3.327) 4.870 3.336 ( -0.363 -2.182 0.440) 2.255 3.384 ( 0.958 -1.103 -1.747) 2.278 3.469 ( 2.139 0.120 2.080) 2.986 3.626 ( -1.673 -2.491 -2.170) 3.703 3.766 ( 0.268 1.495 0.865) 1.748 3.821 ( -2.175 3.588 -0.444) 4.219 4.250 ( -2.647 -1.310 3.954) 4.935 4.305 ( 1.825 -1.273 -1.719) 2.812 4.381 ( -0.911 0.076 0.925) 1.300 4.411 ( 0.737 1.098 -1.287) 1.845 4.801 ( 0.904 0.033 3.525) 3.639 4.961 ( -0.907 -0.977 -2.658) 2.974 5.600 ( 0.332 0.367 -0.017) 0.495 5.606 ( 0.193 0.338 0.030) 0.391 5.975 ( -6.008 -0.836 3.354) 6.931 6.057 ( 5.080 0.156 -6.334) 8.121 6.996 ( 0.444 0.171 -0.302) 0.564 7.029 ( -0.468 1.671 -1.318) 2.179 7.206 ( 1.152 -0.008 -0.452) 1.237 7.217 ( -0.638 0.422 -0.068) 0.768 7.342 ( 3.816 -0.316 -0.854) 3.923 7.406 ( -4.860 -1.920 0.691) 5.271 7.604 ( -4.647 -0.759 4.713) 6.662 7.710 ( 0.100 -1.202 -0.043) 1.207 7.741 ( 2.693 -0.521 -3.245) 4.249 7.750 ( 0.401 0.536 -0.606) 0.903 7.972 ( 0.138 -0.737 1.020) 1.266 8.018 ( 0.521 0.690 -1.287) 1.551 8.192 ( -3.621 -0.131 3.038) 4.729 8.244 ( 3.130 0.419 -3.320) 4.582 8.544 ( 1.299 -0.084 0.675) 1.466 8.583 ( -1.560 -0.521 0.348) 1.681 9.747 ( -0.395 1.743 1.600) 2.399 9.802 ( 0.932 0.357 -1.298) 1.637 9.847 ( -1.370 -0.130 1.958) 2.393 9.907 ( 2.295 -0.881 -2.614) 3.588 11.917 ( 0.622 -0.205 2.043) 2.145 11.977 ( -0.092 0.108 -0.351) 0.379 13.540 ( 2.589 0.090 -0.995) 2.775 13.591 ( -2.012 -1.103 -0.705) 2.400 14.107 ( -1.037 -0.552 2.750) 2.991 14.171 ( 1.850 0.782 -2.210) 2.986 14.748 ( -0.534 0.234 -0.277) 0.645 14.770 ( -3.356 -0.135 -0.966) 3.495 ======================= Grid point 157 (80/100) ======================= q-point: ( 0.14 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -5.211 -0.000 6.658) 8.454 1.102 ( 7.641 0.000 -5.986) 9.706 1.128 ( 9.691 0.000 -9.939) 13.882 1.330 ( 2.191 0.000 5.057) 5.511 1.476 ( 0.937 0.000 -2.780) 2.933 1.548 ( -2.622 -0.000 -5.139) 5.769 1.621 ( 3.617 0.000 -5.191) 6.327 1.680 ( -0.785 -0.000 8.997) 9.032 1.704 ( -1.455 -0.000 -0.202) 1.469 1.806 ( 7.921 0.000 1.524) 8.067 1.833 ( 3.254 0.000 -0.506) 3.293 1.903 ( 2.039 0.000 2.519) 3.241 2.147 ( -8.514 -0.000 1.444) 8.636 2.156 ( -5.184 -0.000 1.230) 5.328 2.207 ( -2.099 -0.000 -1.667) 2.680 2.292 ( -2.999 -0.000 -0.713) 3.083 2.309 ( 5.173 0.000 -11.225) 12.360 2.398 ( 1.193 0.000 1.088) 1.614 2.434 ( -0.435 -0.000 -1.814) 1.865 2.453 ( 0.132 0.000 1.140) 1.148 2.636 ( -0.903 -0.000 -5.621) 5.693 2.759 ( 1.286 0.000 1.558) 2.020 2.825 ( -0.900 -0.000 2.416) 2.579 2.845 ( 2.273 0.000 1.569) 2.762 2.871 ( -5.956 -0.000 3.227) 6.774 2.990 ( -3.713 -0.000 4.124) 5.549 3.023 ( 3.165 0.000 -1.935) 3.710 3.077 ( 1.735 0.000 -0.394) 1.779 3.353 ( -1.843 -0.000 2.847) 3.391 3.366 ( 0.685 0.000 -0.254) 0.731 3.477 ( -2.011 -0.000 -4.545) 4.970 3.666 ( 3.035 0.000 0.864) 3.156 3.742 ( -0.999 -0.000 0.420) 1.083 3.822 ( 3.105 0.000 0.304) 3.120 4.266 ( -1.979 -0.000 2.576) 3.249 4.322 ( 2.140 0.000 -3.858) 4.412 4.401 ( 0.268 0.000 0.343) 0.435 4.414 ( 3.488 0.000 -1.400) 3.759 4.825 ( -1.210 -0.000 -3.498) 3.702 4.946 ( 0.558 0.000 3.395) 3.440 5.584 ( -1.133 -0.000 0.095) 1.137 5.614 ( 0.635 0.000 -0.483) 0.798 5.945 ( -5.012 -0.000 6.078) 7.878 6.075 ( 5.752 0.000 -3.719) 6.850 6.970 ( -1.502 -0.000 1.041) 1.828 7.027 ( 1.607 0.000 -0.318) 1.638 7.162 ( -3.120 -0.000 1.580) 3.497 7.226 ( -0.882 -0.000 0.398) 0.968 7.313 ( -1.325 -0.000 -0.073) 1.327 7.461 ( 3.305 0.000 0.153) 3.309 7.653 ( -3.568 -0.000 5.816) 6.823 7.695 ( 3.100 0.000 -4.230) 5.244 7.724 ( -1.958 -0.000 1.581) 2.517 7.746 ( 0.963 0.000 -1.167) 1.513 7.980 ( -0.579 -0.000 -0.740) 0.940 8.000 ( -0.364 -0.000 0.793) 0.872 8.183 ( -2.460 -0.000 2.975) 3.861 8.259 ( 3.930 0.000 -3.170) 5.049 8.538 ( -1.402 -0.000 -0.471) 1.479 8.604 ( 1.494 0.000 -0.017) 1.494 9.759 ( 0.742 0.000 -2.463) 2.573 9.773 ( -0.895 -0.000 1.627) 1.857 9.861 ( -2.643 -0.000 2.685) 3.768 9.886 ( 1.280 0.000 -2.365) 2.689 11.932 ( -0.655 -0.000 -1.784) 1.900 11.969 ( -0.327 -0.000 0.745) 0.814 13.501 ( -3.443 -0.000 0.950) 3.571 13.605 ( 1.266 0.000 0.762) 1.478 14.136 ( -1.322 -0.000 1.593) 2.070 14.141 ( 0.561 0.000 -2.224) 2.294 14.751 ( 1.419 0.000 0.425) 1.481 14.791 ( 2.895 0.000 1.669) 3.342 ======================= Grid point 158 (81/100) ======================= q-point: ( 0.29 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 1.491 4.072 -2.194) 4.860 1.118 ( 8.880 0.477 -9.589) 13.078 1.200 ( 5.659 -3.938 -4.278) 8.114 1.350 ( -1.358 -1.500 1.044) 2.276 1.448 ( -0.716 1.593 -3.230) 3.672 1.568 ( 0.958 -3.610 1.589) 4.059 1.632 ( 4.864 -0.443 -0.426) 4.902 1.694 ( 1.241 0.239 -1.287) 1.804 1.725 ( 0.261 2.319 6.501) 6.907 1.808 ( 3.059 2.223 0.503) 3.815 1.884 ( 1.286 6.178 1.436) 6.472 1.949 ( 4.201 -2.396 -0.466) 4.858 2.052 ( -7.844 -1.154 -0.359) 7.937 2.113 ( -2.401 -0.604 -2.750) 3.700 2.200 ( -1.615 -0.704 1.266) 2.170 2.269 ( -3.826 -3.322 -2.566) 5.679 2.292 ( 7.039 -2.227 -8.646) 11.370 2.405 ( -0.594 0.418 0.588) 0.934 2.445 ( 0.667 -0.516 2.083) 2.247 2.467 ( -2.225 -1.098 -0.371) 2.508 2.562 ( 0.020 0.063 -5.173) 5.173 2.761 ( -1.321 2.139 3.675) 4.453 2.845 ( 3.233 -1.135 -1.373) 3.691 2.855 ( -4.618 -0.533 3.187) 5.636 2.908 ( -0.431 -1.685 3.158) 3.605 3.010 ( -4.263 -1.957 3.740) 5.999 3.034 ( 1.850 -0.038 -1.119) 2.163 3.099 ( 0.681 -1.591 -0.155) 1.738 3.326 ( -1.562 3.086 1.394) 3.729 3.365 ( -0.537 1.154 0.796) 1.501 3.455 ( 0.552 -2.449 -2.409) 3.479 3.657 ( 1.393 3.028 0.737) 3.414 3.763 ( -0.177 -1.827 -0.444) 1.889 3.868 ( 2.396 -1.223 0.999) 2.870 4.271 ( -1.697 0.395 2.508) 3.054 4.301 ( 2.342 0.038 -4.410) 4.993 4.407 ( 0.523 -0.017 0.411) 0.665 4.422 ( 3.156 1.025 -2.215) 3.990 4.790 ( -0.318 -0.119 -2.457) 2.480 4.963 ( -0.610 1.049 2.028) 2.363 5.581 ( -1.024 -0.684 0.477) 1.321 5.616 ( 0.700 -0.005 -0.611) 0.930 5.955 ( -4.534 0.388 6.418) 7.867 6.092 ( 5.072 0.646 -3.043) 5.950 6.976 ( -1.174 -0.810 1.438) 2.025 7.047 ( 1.060 -1.130 0.044) 1.550 7.151 ( -2.892 -0.343 1.673) 3.359 7.229 ( -1.633 -1.031 1.143) 2.244 7.297 ( -0.014 0.873 -0.760) 1.157 7.468 ( 1.684 1.470 -1.150) 2.514 7.664 ( -3.362 0.651 4.948) 6.018 7.679 ( 2.464 0.856 -2.929) 3.922 7.712 ( -1.249 0.782 0.562) 1.578 7.749 ( 0.579 0.307 0.090) 0.662 7.970 ( 0.122 -0.320 -0.943) 1.003 8.003 ( -0.947 0.001 1.093) 1.446 8.191 ( -2.101 -0.178 2.990) 3.659 8.268 ( 4.001 -0.022 -3.047) 5.030 8.523 ( -0.928 -0.128 -0.250) 0.969 8.610 ( 1.219 0.618 -0.400) 1.424 9.759 ( 0.877 -1.481 -1.762) 2.463 9.782 ( -1.127 -0.665 0.953) 1.619 9.851 ( -1.952 0.584 1.175) 2.352 9.877 ( 0.513 0.151 -1.038) 1.168 11.905 ( -0.620 0.471 -1.703) 1.873 11.972 ( -0.546 -0.528 -0.013) 0.760 13.484 ( -3.066 -0.277 1.875) 3.604 13.615 ( 0.731 0.447 0.021) 0.857 14.117 ( -0.526 0.721 -0.638) 1.098 14.148 ( 0.198 -0.956 -0.108) 0.982 14.769 ( 1.622 0.069 0.209) 1.637 14.828 ( 2.081 1.064 2.263) 3.253 ======================= Grid point 159 (82/100) ======================= q-point: ( 0.43 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 1.155 3.518 -4.706) 5.988 1.138 ( 10.405 -1.625 -6.499) 12.375 1.256 ( -2.299 -5.548 -2.618) 6.551 1.373 ( -1.260 2.628 -2.860) 4.083 1.398 ( 4.358 -1.051 -1.717) 4.800 1.604 ( -0.857 -0.225 -0.130) 0.896 1.650 ( 0.840 5.858 3.674) 6.966 1.716 ( 4.651 0.795 0.689) 4.769 1.752 ( -2.115 1.580 -0.921) 2.796 1.782 ( 1.437 2.001 1.070) 2.686 1.823 ( -2.052 -1.927 1.052) 3.006 1.976 ( 1.801 -1.277 0.189) 2.216 2.044 ( -2.417 0.136 1.630) 2.918 2.060 ( -1.204 3.725 -0.722) 3.981 2.234 ( 0.419 -1.656 1.417) 2.220 2.292 ( 2.481 -6.099 -5.508) 8.585 2.335 ( 1.925 -1.827 -0.816) 2.776 2.407 ( -0.627 -2.659 -1.791) 3.267 2.450 ( -2.230 -1.045 0.658) 2.549 2.475 ( 1.196 0.338 1.971) 2.330 2.562 ( 3.502 -0.807 -3.476) 5.000 2.723 ( -4.223 2.924 2.961) 5.929 2.846 ( -2.505 -0.466 1.475) 2.945 2.906 ( 1.806 -3.284 -0.604) 3.796 2.930 ( -2.355 0.039 2.338) 3.319 3.008 ( 1.794 0.603 -2.297) 2.976 3.068 ( -3.073 -3.273 3.321) 5.585 3.135 ( -0.257 -2.689 -0.457) 2.740 3.280 ( -0.941 2.602 1.791) 3.296 3.335 ( 0.319 2.113 -0.741) 2.262 3.491 ( 0.621 -1.727 0.231) 1.850 3.632 ( 1.174 1.881 0.129) 2.222 3.773 ( 0.254 -0.226 -0.801) 0.870 3.909 ( 0.266 -0.142 1.836) 1.861 4.257 ( -0.846 1.061 0.415) 1.419 4.304 ( 2.040 -1.337 -2.188) 3.276 4.390 ( 1.062 3.083 -0.145) 3.264 4.428 ( 1.182 -1.271 -1.828) 2.521 4.781 ( 0.586 -0.663 -0.992) 1.329 4.937 ( -1.597 1.955 0.385) 2.554 5.590 ( -0.964 -0.727 0.564) 1.333 5.618 ( 0.834 -0.112 -0.486) 0.972 5.962 ( -4.120 0.711 5.917) 7.245 6.094 ( 4.183 0.951 -3.084) 5.283 6.997 ( -0.773 -1.075 1.626) 2.097 7.083 ( 0.456 -1.903 0.463) 2.011 7.144 ( -2.809 -0.267 1.697) 3.293 7.245 ( 0.249 -0.452 -0.212) 0.557 7.276 ( -0.525 0.090 -0.112) 0.544 7.431 ( 0.727 2.166 -2.354) 3.280 7.655 ( -3.924 1.502 3.883) 5.721 7.668 ( 3.014 0.025 -3.220) 4.411 7.694 ( -0.147 1.004 0.726) 1.248 7.742 ( -0.508 0.730 0.697) 1.131 7.978 ( 1.500 -0.111 -0.711) 1.664 8.004 ( -1.406 -0.488 1.248) 1.942 8.198 ( -2.491 0.008 2.814) 3.758 8.278 ( 3.755 0.109 -3.005) 4.811 8.523 ( -0.477 -0.731 0.270) 0.914 8.599 ( 0.765 1.263 -0.761) 1.661 9.785 ( 0.333 -1.678 -0.883) 1.925 9.788 ( -0.536 -0.987 0.029) 1.124 9.839 ( -0.865 -0.007 0.579) 1.041 9.869 ( -0.104 0.497 -0.180) 0.539 11.880 ( -0.263 0.287 -0.952) 1.029 11.976 ( -0.568 -0.784 -0.535) 1.106 13.486 ( -2.351 -0.718 2.376) 3.419 13.607 ( 0.777 0.600 -1.163) 1.522 14.098 ( -0.694 0.694 0.380) 1.053 14.167 ( 0.920 -1.061 -0.851) 1.642 14.780 ( 1.202 0.395 0.018) 1.265 14.832 ( 0.433 1.859 1.366) 2.348 ======================= Grid point 160 (83/100) ======================= q-point: ( 0.57 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.512 0.535 -1.929) 2.067 1.223 ( 3.919 -0.643 -0.987) 4.092 1.250 ( 1.301 3.474 -4.472) 5.810 1.323 ( -0.471 -4.088 1.218) 4.292 1.440 ( 3.862 -1.376 -3.722) 5.537 1.566 ( -4.216 0.538 -1.207) 4.419 1.597 ( 0.434 4.911 2.536) 5.544 1.641 ( -1.434 2.209 -2.969) 3.969 1.723 ( 1.950 0.557 -2.711) 3.385 1.805 ( -4.384 1.875 2.358) 5.320 1.838 ( 0.416 -1.980 -1.520) 2.531 1.959 ( -2.507 2.399 -1.077) 3.633 2.052 ( 2.214 -0.840 2.646) 3.551 2.071 ( 2.688 -2.515 3.731) 5.241 2.267 ( 0.860 0.308 1.590) 1.834 2.352 ( 0.522 -0.218 0.542) 0.783 2.379 ( 0.197 -1.960 1.200) 2.306 2.408 ( -2.540 -0.916 -2.529) 3.699 2.468 ( 0.487 -0.609 0.500) 0.926 2.503 ( 2.210 -0.341 0.809) 2.378 2.544 ( 2.549 3.323 -2.378) 4.815 2.686 ( -3.244 -1.883 0.564) 3.793 2.838 ( -3.620 0.642 2.765) 4.600 2.913 ( -2.740 0.025 0.993) 2.915 2.960 ( -0.111 -1.517 1.242) 1.964 3.012 ( 5.074 -0.673 -4.098) 6.557 3.129 ( -1.364 -3.223 1.862) 3.964 3.158 ( -0.702 -1.025 -0.074) 1.244 3.275 ( 0.700 -0.596 1.362) 1.644 3.297 ( 0.949 1.895 -1.170) 2.421 3.513 ( -0.520 0.175 1.417) 1.520 3.619 ( 1.619 0.824 -1.601) 2.421 3.769 ( 0.598 0.734 0.438) 1.044 3.910 ( -0.580 0.142 -0.536) 0.802 4.238 ( -0.618 1.293 1.189) 1.862 4.332 ( 1.665 -1.159 -2.042) 2.879 4.344 ( -1.295 2.269 1.933) 3.250 4.438 ( 1.493 -0.783 -2.639) 3.132 4.797 ( 0.765 -0.427 0.108) 0.883 4.896 ( -1.507 0.324 -0.605) 1.656 5.595 ( -0.649 -0.394 0.478) 0.897 5.624 ( 0.764 -0.142 -0.637) 1.005 5.961 ( -4.027 0.670 5.004) 6.458 6.086 ( 3.866 0.840 -3.908) 5.561 7.018 ( -0.608 -0.209 1.543) 1.672 7.107 ( -1.063 -0.449 -0.365) 1.211 7.152 ( -1.189 -1.434 2.219) 2.897 7.232 ( 1.700 0.818 -1.952) 2.715 7.297 ( -0.159 -1.588 0.963) 1.864 7.383 ( -0.013 1.531 -1.733) 2.312 7.620 ( -3.772 1.608 3.044) 5.107 7.672 ( 1.672 -0.810 -2.851) 3.403 7.696 ( 1.593 0.365 0.690) 1.774 7.739 ( -0.066 -0.081 0.403) 0.417 7.975 ( -0.740 1.058 1.447) 1.939 8.021 ( 1.052 -1.056 -0.711) 1.651 8.196 ( -3.178 0.198 2.995) 4.371 8.277 ( 3.210 0.475 -3.363) 4.673 8.539 ( -0.579 -1.151 0.511) 1.386 8.573 ( 0.371 1.497 -0.898) 1.785 9.790 ( -0.390 -0.659 0.031) 0.766 9.813 ( 0.535 -1.069 -0.760) 1.417 9.843 ( -0.209 -0.421 0.278) 0.546 9.857 ( -0.230 0.381 -0.097) 0.455 11.879 ( 0.473 -0.335 0.321) 0.663 11.976 ( -0.627 -0.741 -0.756) 1.230 13.504 ( -1.407 -0.939 2.177) 2.757 13.592 ( 0.674 0.528 -1.579) 1.796 14.090 ( -0.984 0.424 1.695) 2.005 14.180 ( 1.556 -0.742 -2.084) 2.705 14.780 ( 0.549 0.751 -0.016) 0.931 14.809 ( -0.766 1.511 0.396) 1.740 ======================= Grid point 161 (84/100) ======================= q-point: (-0.29 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 1.253 -2.122 2.868) 3.781 1.098 ( -1.231 6.605 -0.404) 6.731 1.265 ( -2.144 4.300 2.358) 5.352 1.387 ( -1.221 -2.584 1.397) 3.181 1.442 ( 2.324 -1.388 -4.693) 5.418 1.527 ( -0.277 3.636 -0.078) 3.647 1.564 ( -2.118 -5.654 -2.332) 6.472 1.618 ( 1.799 -1.472 -1.380) 2.703 1.680 ( 0.291 2.286 -2.735) 3.576 1.770 ( 0.041 -0.299 -1.127) 1.167 1.847 ( 1.363 0.355 -0.920) 1.683 1.904 ( -3.865 0.477 -0.069) 3.894 2.125 ( -0.565 -1.283 5.809) 5.975 2.175 ( 3.893 -1.563 2.198) 4.736 2.259 ( 0.794 3.090 0.506) 3.230 2.325 ( -1.842 1.649 -2.481) 3.502 2.368 ( -1.904 0.141 2.486) 3.134 2.392 ( -1.110 2.122 3.384) 4.146 2.489 ( -0.854 -0.654 2.535) 2.754 2.503 ( 3.161 1.229 -2.498) 4.212 2.547 ( 3.261 -0.942 0.088) 3.395 2.698 ( -1.436 -2.370 -2.963) 4.057 2.810 ( -4.092 1.537 3.955) 5.895 2.899 ( -0.104 -0.041 -1.067) 1.073 2.994 ( -0.798 -1.237 1.274) 1.947 3.030 ( 4.371 0.251 -3.159) 5.399 3.137 ( -2.590 0.786 1.216) 2.967 3.165 ( 1.763 1.171 -1.741) 2.741 3.287 ( 0.166 -0.299 0.769) 0.842 3.319 ( 1.563 -2.141 -0.338) 2.673 3.503 ( -1.397 1.614 2.110) 3.002 3.598 ( 1.755 0.988 -3.246) 3.820 3.777 ( -0.122 -0.124 2.107) 2.115 3.891 ( 0.513 0.007 -3.725) 3.760 4.229 ( -1.870 0.680 3.291) 3.846 4.298 ( -0.526 1.676 0.407) 1.803 4.367 ( -0.085 -1.274 0.474) 1.362 4.433 ( 1.846 -0.024 -3.223) 3.714 4.806 ( 0.535 0.334 1.546) 1.670 4.897 ( -0.925 -2.353 -1.543) 2.962 5.600 ( -0.515 -0.244 0.633) 0.851 5.623 ( 0.758 0.227 -1.031) 1.299 5.957 ( -4.636 0.279 4.719) 6.621 6.070 ( 4.389 0.710 -5.359) 6.963 7.020 ( -0.279 0.873 1.345) 1.628 7.081 ( -1.156 1.049 -1.089) 1.904 7.189 ( -0.441 -1.289 1.545) 2.060 7.227 ( 1.515 0.020 -1.441) 2.091 7.328 ( 1.411 -0.983 -0.090) 1.722 7.354 ( -1.620 0.080 0.055) 1.623 7.598 ( -3.369 0.592 3.632) 4.990 7.674 ( 0.992 -0.954 -2.299) 2.680 7.718 ( 1.888 -0.383 -0.069) 1.927 7.747 ( 0.306 -0.526 -0.411) 0.735 7.968 ( -1.212 0.626 2.444) 2.799 8.032 ( 1.518 -0.105 -1.883) 2.421 8.189 ( -3.571 0.136 3.375) 4.915 8.264 ( 2.954 0.678 -3.652) 4.746 8.551 ( 0.585 0.603 -0.381) 0.923 8.554 ( -1.001 -0.967 0.333) 1.430 9.802 ( 0.035 -0.620 0.337) 0.706 9.808 ( -0.166 1.221 0.091) 1.235 9.847 ( 0.077 0.170 -0.141) 0.234 9.862 ( 0.466 -1.491 -1.026) 1.869 11.903 ( 0.949 -0.659 1.418) 1.830 11.973 ( -0.735 -0.567 -0.882) 1.281 13.527 ( -0.502 -0.902 1.420) 1.756 13.575 ( 0.205 0.335 -1.337) 1.393 14.096 ( -1.421 -0.002 2.819) 3.157 14.181 ( 2.075 -0.295 -3.175) 3.805 14.767 ( -0.157 1.018 0.145) 1.040 14.780 ( -1.118 0.946 -0.206) 1.479 ======================= Grid point 162 (85/100) ======================= q-point: (-0.14 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 1.843 1.816 4.911) 5.551 1.054 ( 1.154 -3.432 -2.189) 4.231 1.169 ( -3.531 6.581 9.314) 11.938 1.376 ( 0.340 2.464 -9.017) 9.353 1.420 ( -3.509 -1.470 6.147) 7.229 1.535 ( 2.436 -0.641 0.368) 2.546 1.616 ( 0.966 -0.637 -3.369) 3.562 1.638 ( 0.507 -5.652 -3.188) 6.509 1.690 ( 2.210 -1.231 1.901) 3.164 1.750 ( -0.530 0.727 -2.871) 3.009 1.841 ( 1.511 1.509 -0.300) 2.157 1.856 ( -1.755 0.614 -1.584) 2.443 2.146 ( -5.367 2.546 7.601) 9.647 2.220 ( -2.302 -0.120 4.165) 4.760 2.239 ( 3.310 0.394 -3.367) 4.738 2.288 ( 1.252 -0.414 -1.001) 1.656 2.381 ( 0.804 1.981 3.917) 4.462 2.394 ( -1.069 -0.837 1.460) 1.994 2.494 ( 2.353 1.224 -1.729) 3.167 2.514 ( -1.139 -0.708 0.377) 1.393 2.606 ( 4.769 -1.332 0.407) 4.968 2.675 ( -0.960 -1.692 -5.095) 5.454 2.797 ( -2.113 0.684 3.861) 4.455 2.882 ( 1.721 0.546 -4.086) 4.467 2.985 ( -4.071 1.323 1.937) 4.699 3.022 ( 2.476 2.113 -1.444) 3.561 3.094 ( -2.218 2.596 0.748) 3.495 3.131 ( 2.697 2.839 -2.520) 4.657 3.312 ( -1.105 -1.594 1.785) 2.636 3.351 ( 0.833 -1.681 -1.981) 2.728 3.498 ( -0.806 -0.155 3.462) 3.558 3.569 ( 1.452 0.094 -3.902) 4.164 3.797 ( -0.016 0.392 1.995) 2.033 3.844 ( 0.163 2.106 -2.967) 3.642 4.242 ( -2.656 -0.636 3.891) 4.753 4.294 ( 1.921 -0.640 -0.883) 2.209 4.379 ( -1.181 -0.361 0.807) 1.476 4.419 ( 2.167 0.533 -2.823) 3.599 4.840 ( 1.034 -0.626 3.355) 3.566 4.901 ( -1.316 -1.644 -2.934) 3.611 5.603 ( -0.616 0.057 0.581) 0.849 5.615 ( 0.708 0.373 -0.814) 1.142 5.950 ( -5.639 0.048 4.958) 7.509 6.054 ( 5.444 0.306 -5.986) 8.097 7.012 ( -0.705 1.192 1.361) 1.942 7.040 ( 0.213 1.475 -1.563) 2.160 7.200 ( -2.306 0.075 1.443) 2.721 7.230 ( 2.625 0.206 -1.712) 3.141 7.342 ( -4.334 -1.087 1.336) 4.663 7.362 ( 3.795 -0.863 -0.941) 4.004 7.604 ( -3.250 -0.355 4.725) 5.746 7.681 ( 1.467 -1.318 -2.755) 3.388 7.737 ( 0.994 -0.300 -0.223) 1.062 7.748 ( -0.136 -0.179 -0.789) 0.821 7.978 ( -0.717 -0.138 2.234) 2.350 8.019 ( 0.694 0.604 -2.074) 2.269 8.186 ( -3.290 0.059 3.332) 4.682 8.251 ( 3.327 0.411 -3.509) 4.853 8.558 ( 1.256 -0.368 0.248) 1.332 8.559 ( -1.357 -0.734 0.087) 1.545 9.785 ( -0.326 1.641 1.076) 1.989 9.806 ( 0.468 0.451 -0.861) 1.079 9.847 ( -0.941 -0.255 1.282) 1.611 9.880 ( 1.057 -1.455 -2.046) 2.724 11.937 ( 0.713 -0.429 1.796) 1.979 11.964 ( -0.711 -0.401 -1.108) 1.376 13.544 ( -2.027 -0.850 0.949) 2.394 13.564 ( 1.564 0.225 -1.156) 1.958 14.113 ( -1.764 -0.389 3.101) 3.589 14.172 ( 2.039 0.137 -3.243) 3.833 14.750 ( -0.877 0.732 0.425) 1.219 14.757 ( 0.270 0.834 -0.374) 0.953 ======================= Grid point 165 (86/100) ======================= q-point: ( 0.29 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 4.059 0.000 -7.061) 8.144 1.133 ( 12.139 0.000 -11.609) 16.797 1.156 ( -2.940 -0.000 -1.739) 3.416 1.320 ( -0.752 -0.000 0.765) 1.073 1.477 ( 3.246 0.000 1.156) 3.446 1.552 ( 2.039 0.000 -0.099) 2.041 1.630 ( 0.907 0.000 -3.908) 4.012 1.712 ( 3.843 0.000 2.969) 4.856 1.781 ( -2.159 -0.000 1.544) 2.654 1.869 ( -1.810 -0.000 -1.639) 2.442 1.940 ( -1.385 -0.000 -0.985) 1.700 1.972 ( 1.027 0.000 1.501) 1.819 1.982 ( 7.532 0.000 -2.515) 7.941 2.099 ( 4.447 0.000 0.759) 4.511 2.154 ( -7.983 -0.000 -1.247) 8.080 2.188 ( -0.948 -0.000 1.082) 1.438 2.305 ( 8.604 0.000 -3.612) 9.332 2.392 ( -2.314 -0.000 -2.191) 3.186 2.429 ( -3.283 -0.000 1.378) 3.560 2.481 ( 1.541 0.000 2.153) 2.647 2.501 ( -0.671 -0.000 -4.720) 4.768 2.783 ( -2.242 -0.000 2.737) 3.538 2.838 ( -4.541 -0.000 2.744) 5.305 2.858 ( 1.724 0.000 -0.488) 1.792 2.916 ( 0.403 0.000 0.436) 0.594 2.990 ( -4.707 -0.000 4.445) 6.474 3.037 ( 1.655 0.000 -1.173) 2.029 3.097 ( -0.969 -0.000 1.165) 1.516 3.377 ( -1.070 -0.000 2.014) 2.281 3.383 ( -0.355 -0.000 1.373) 1.419 3.403 ( 1.562 0.000 -0.788) 1.749 3.694 ( 0.124 0.000 -0.843) 0.852 3.742 ( -0.111 -0.000 0.893) 0.900 3.885 ( 3.439 0.000 -0.566) 3.485 4.281 ( 1.658 0.000 -3.973) 4.305 4.285 ( -1.457 -0.000 2.604) 2.985 4.396 ( 0.057 0.000 -1.101) 1.102 4.453 ( 3.768 0.000 -2.708) 4.640 4.772 ( 0.804 0.000 -1.486) 1.689 4.973 ( -1.880 -0.000 0.759) 2.028 5.572 ( -0.780 -0.000 0.817) 1.130 5.618 ( 0.874 0.000 -0.581) 1.050 5.979 ( -4.037 -0.000 6.760) 7.874 6.119 ( 4.352 0.000 -2.459) 4.998 6.975 ( -1.095 -0.000 2.023) 2.300 7.044 ( 0.849 0.000 -0.511) 0.991 7.141 ( -2.391 -0.000 2.142) 3.210 7.215 ( -2.508 -0.000 2.398) 3.470 7.297 ( 0.558 0.000 -1.610) 1.704 7.468 ( -0.176 -0.000 -2.737) 2.743 7.677 ( 1.903 0.000 -2.767) 3.358 7.680 ( -4.048 -0.000 4.756) 6.245 7.718 ( -1.736 -0.000 1.749) 2.464 7.769 ( 1.610 0.000 0.275) 1.633 7.960 ( -0.396 -0.000 -0.128) 0.416 8.004 ( -0.259 -0.000 0.645) 0.695 8.202 ( -1.696 -0.000 3.158) 3.585 8.278 ( 4.018 0.000 -3.089) 5.068 8.514 ( -0.491 -0.000 0.128) 0.507 8.620 ( 0.873 0.000 -0.779) 1.170 9.741 ( 1.412 0.000 -1.684) 2.197 9.772 ( -1.569 -0.000 0.931) 1.825 9.847 ( -2.558 -0.000 1.343) 2.889 9.870 ( 1.270 0.000 -2.070) 2.428 11.889 ( -0.109 -0.000 -1.746) 1.750 11.955 ( -1.204 -0.000 -0.646) 1.366 13.474 ( -2.729 -0.000 2.559) 3.741 13.619 ( -0.069 -0.000 -0.672) 0.676 14.117 ( 1.535 0.000 -1.955) 2.485 14.139 ( -1.168 -0.000 1.312) 1.757 14.789 ( 1.882 0.000 0.108) 1.885 14.878 ( 0.306 0.000 2.926) 2.942 ======================= Grid point 166 (87/100) ======================= q-point: ( 0.43 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 4.564 4.100 -8.366) 10.374 1.113 ( -1.320 -2.355 -5.531) 6.155 1.167 ( 7.436 -1.863 -3.901) 8.602 1.346 ( -1.027 -1.247 2.092) 2.643 1.460 ( 3.434 3.383 -2.885) 5.618 1.578 ( -0.534 -1.311 -1.465) 2.037 1.672 ( 0.100 -4.507 -0.990) 4.615 1.723 ( -3.508 1.259 -2.770) 4.644 1.760 ( -4.165 0.314 2.574) 4.906 1.808 ( 6.670 3.758 -0.389) 7.666 1.884 ( -0.465 5.309 0.331) 5.340 2.007 ( -0.516 -1.229 4.639) 4.826 2.032 ( -1.119 0.490 1.596) 2.010 2.130 ( 2.052 1.403 0.995) 2.677 2.171 ( 5.787 -3.924 -3.767) 7.942 2.241 ( 4.277 -3.151 0.682) 5.356 2.329 ( -1.760 -1.414 -4.245) 4.808 2.348 ( 3.091 0.422 1.382) 3.412 2.427 ( -0.512 -1.193 1.329) 1.858 2.503 ( 1.527 -0.634 -0.775) 1.826 2.518 ( 0.293 -2.928 0.298) 2.958 2.753 ( -5.917 2.908 1.497) 6.760 2.824 ( -2.837 -1.684 1.621) 3.676 2.869 ( 1.734 -0.346 -1.616) 2.395 2.918 ( -0.595 -1.114 -0.406) 1.326 3.005 ( -2.338 -1.625 3.028) 4.157 3.039 ( -0.821 0.292 -0.153) 0.885 3.092 ( -0.819 -1.180 -0.563) 1.543 3.346 ( -0.695 3.681 2.468) 4.486 3.367 ( 1.081 1.680 -0.619) 2.092 3.473 ( 0.693 -2.624 2.690) 3.822 3.666 ( -0.114 1.504 -1.129) 1.884 3.764 ( 0.069 -0.842 1.331) 1.577 3.918 ( 1.900 -0.761 -0.553) 2.120 4.261 ( 0.539 0.256 -1.538) 1.650 4.291 ( -0.568 -0.208 0.610) 0.859 4.397 ( 0.411 -1.260 -1.513) 2.012 4.440 ( 2.513 2.055 -2.694) 4.218 4.778 ( 1.817 -0.199 -0.428) 1.877 4.941 ( -2.871 1.182 -0.539) 3.152 5.579 ( -0.675 -0.439 1.127) 1.385 5.621 ( 0.870 0.022 -0.589) 1.051 5.997 ( -3.754 0.907 6.501) 7.562 6.124 ( 3.724 1.123 -2.769) 4.775 6.992 ( -0.850 -0.850 2.155) 2.468 7.057 ( 0.529 -1.477 -0.618) 1.686 7.140 ( -2.099 0.265 2.517) 3.288 7.230 ( -1.744 -1.395 2.744) 3.538 7.276 ( 0.480 0.848 -2.235) 2.438 7.426 ( -0.383 0.671 -3.834) 3.911 7.669 ( 0.683 0.669 -1.040) 1.413 7.672 ( -2.473 0.761 2.108) 3.337 7.716 ( -0.897 0.444 1.634) 1.916 7.766 ( -0.041 1.449 0.369) 1.496 7.972 ( 0.632 -1.386 0.071) 1.525 8.005 ( -0.296 0.530 0.687) 0.917 8.209 ( -2.110 0.549 3.151) 3.831 8.287 ( 3.778 0.063 -3.164) 4.928 8.517 ( -0.035 -0.203 0.768) 0.795 8.612 ( 0.383 0.678 -1.194) 1.425 9.755 ( 1.388 -1.458 -1.199) 2.343 9.768 ( -1.575 -0.548 0.551) 1.756 9.835 ( -1.420 -0.006 0.822) 1.641 9.866 ( 0.719 -0.169 -1.380) 1.565 11.874 ( 0.283 0.123 -1.036) 1.081 11.943 ( -1.255 -0.980 -1.134) 1.955 13.480 ( -2.196 -0.420 3.041) 3.774 13.605 ( 0.195 0.211 -1.813) 1.836 14.111 ( 0.722 0.740 -0.125) 1.041 14.149 ( -0.024 -0.967 -0.124) 0.976 14.804 ( 1.718 0.552 0.090) 1.807 14.877 ( -1.301 1.886 1.611) 2.801 ======================= Grid point 167 (88/100) ======================= q-point: ( 0.57 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 3.109 2.514 -2.997) 4.997 1.095 ( -1.790 -4.533 -8.802) 10.061 1.257 ( 6.223 -2.565 0.171) 6.733 1.361 ( 0.107 0.089 1.375) 1.382 1.450 ( 2.930 -1.092 -1.810) 3.613 1.537 ( -3.827 2.718 -0.052) 4.694 1.606 ( -3.500 1.679 -3.942) 5.532 1.681 ( -4.213 1.718 1.765) 4.880 1.734 ( 3.060 3.146 -2.849) 5.232 1.824 ( -1.583 2.491 1.406) 3.269 1.839 ( 5.126 0.521 -0.207) 5.157 1.956 ( -5.323 2.994 -1.499) 6.288 2.069 ( 1.087 -1.055 2.984) 3.346 2.135 ( 2.630 0.893 5.596) 6.247 2.248 ( 0.033 -3.997 -2.553) 4.742 2.326 ( -0.071 -1.015 -2.063) 2.300 2.364 ( 5.303 -2.777 0.854) 6.047 2.381 ( -1.195 -0.864 2.063) 2.536 2.479 ( 4.527 -0.684 0.203) 4.583 2.519 ( 1.172 -0.677 0.813) 1.579 2.570 ( 1.624 -2.066 -1.595) 3.074 2.648 ( -6.150 2.507 0.500) 6.660 2.840 ( -2.336 -0.555 2.462) 3.439 2.877 ( -0.799 -1.897 -1.081) 2.325 2.938 ( -1.834 -1.335 1.407) 2.669 3.000 ( 2.552 -0.222 -3.937) 4.697 3.075 ( -1.301 -4.139 2.535) 5.025 3.118 ( -0.212 -2.652 -0.583) 2.724 3.305 ( -0.411 2.522 1.676) 3.056 3.333 ( 1.024 2.616 -0.923) 2.957 3.529 ( -0.437 -0.401 3.269) 3.322 3.635 ( 1.371 1.018 -2.212) 2.794 3.792 ( 1.167 -0.133 1.665) 2.037 3.911 ( -1.246 1.355 -0.995) 2.093 4.258 ( -0.782 0.195 1.536) 1.735 4.303 ( 0.796 -1.490 -1.200) 2.072 4.392 ( -0.577 2.632 -0.340) 2.716 4.411 ( 2.270 -0.963 -2.903) 3.809 4.801 ( 2.117 -0.344 0.134) 2.148 4.882 ( -2.896 1.251 -1.129) 3.351 5.590 ( -0.496 -0.330 1.033) 1.192 5.622 ( 0.563 -0.049 -0.772) 0.956 5.996 ( -3.956 1.710 5.928) 7.329 6.108 ( 3.855 1.525 -3.850) 5.658 7.022 ( -0.495 -0.940 2.234) 2.474 7.080 ( -0.224 -1.307 -0.787) 1.542 7.145 ( -1.467 -0.419 2.804) 3.192 7.239 ( 1.253 0.932 -2.753) 3.165 7.276 ( -1.017 -1.998 2.395) 3.281 7.380 ( 0.241 0.641 -3.320) 3.390 7.637 ( -3.952 1.508 2.809) 5.078 7.664 ( 2.116 0.510 -2.110) 3.032 7.722 ( 0.942 0.253 0.811) 1.269 7.746 ( -0.475 0.821 0.417) 1.036 7.994 ( -1.945 0.402 1.570) 2.532 8.007 ( 2.279 -1.010 -1.055) 2.707 8.204 ( -2.871 0.759 3.474) 4.570 8.285 ( 3.341 0.556 -3.598) 4.941 8.530 ( -0.068 -0.265 1.042) 1.078 8.585 ( -0.007 1.110 -1.454) 1.829 9.772 ( -0.847 -1.002 0.321) 1.350 9.784 ( 0.863 -1.752 -1.030) 2.208 9.837 ( -0.651 -0.422 0.773) 1.095 9.860 ( 0.199 0.245 -0.716) 0.782 11.879 ( 0.828 -0.612 0.244) 1.058 11.939 ( -1.146 -1.355 -1.371) 2.243 13.500 ( -1.692 -0.688 3.116) 3.612 13.586 ( 0.710 0.171 -2.365) 2.475 14.108 ( -0.532 0.629 1.591) 1.791 14.160 ( 1.071 -0.842 -1.799) 2.257 14.805 ( 1.315 1.199 0.138) 1.785 14.836 ( -1.539 2.225 0.443) 2.741 ======================= Grid point 168 (89/100) ======================= q-point: (-0.29 -0.71 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 3.144 -1.905 3.690) 5.209 1.045 ( -1.076 -2.291 -10.607) 10.905 1.346 ( 3.178 0.379 2.929) 4.338 1.379 ( -5.955 -3.845 -0.594) 7.113 1.449 ( 1.105 5.215 2.812) 6.027 1.478 ( 3.408 0.908 -2.550) 4.352 1.543 ( -1.230 0.052 -0.329) 1.274 1.618 ( 0.047 1.473 -3.916) 4.184 1.709 ( 1.286 1.706 1.206) 2.453 1.751 ( -2.210 1.835 -1.378) 3.186 1.859 ( -3.618 0.339 1.464) 3.917 1.892 ( 4.191 0.776 -1.856) 4.649 2.143 ( -0.815 -2.131 5.592) 6.040 2.210 ( 0.680 -0.443 4.415) 4.489 2.262 ( 1.684 -2.277 -5.343) 6.047 2.284 ( -0.538 1.527 -3.671) 4.012 2.389 ( -2.686 0.320 3.159) 4.159 2.419 ( 0.341 -0.104 0.225) 0.422 2.503 ( -0.600 0.478 1.851) 2.004 2.544 ( 3.222 1.748 -2.800) 4.613 2.579 ( 2.187 0.251 1.825) 2.860 2.613 ( -2.012 -2.492 -1.377) 3.487 2.841 ( -2.440 1.029 3.573) 4.448 2.888 ( 0.398 -0.569 -0.920) 1.153 2.958 ( -2.884 -2.495 1.842) 4.235 3.017 ( 3.056 -1.912 -3.622) 5.110 3.134 ( -1.238 -0.702 1.505) 2.072 3.156 ( 0.672 -2.301 -0.654) 2.485 3.288 ( -1.447 0.577 0.960) 1.830 3.311 ( 1.959 -0.058 -1.080) 2.238 3.537 ( -2.533 1.291 3.741) 4.699 3.613 ( 3.532 1.383 -3.971) 5.492 3.812 ( 0.163 1.540 2.509) 2.949 3.861 ( -0.300 0.192 -2.641) 2.665 4.258 ( -1.847 0.867 2.882) 3.531 4.314 ( 2.097 0.367 -3.108) 3.767 4.357 ( -2.880 0.151 3.009) 4.168 4.419 ( 3.146 -0.452 -3.439) 4.682 4.825 ( 0.861 -0.006 0.830) 1.196 4.844 ( -1.267 -0.958 -1.202) 1.992 5.600 ( -0.348 -0.201 0.947) 1.028 5.619 ( 0.384 -0.098 -1.013) 1.088 5.979 ( -4.627 1.740 5.630) 7.492 6.081 ( 4.585 1.395 -5.171) 7.050 7.045 ( -0.492 0.294 2.165) 2.240 7.073 ( -0.592 0.397 -0.768) 1.048 7.176 ( -0.808 -1.417 2.038) 2.611 7.221 ( 1.528 -0.260 -2.599) 3.026 7.317 ( -0.447 -1.234 1.599) 2.069 7.351 ( 0.643 0.329 -1.951) 2.080 7.609 ( -3.224 0.754 3.017) 4.480 7.658 ( 1.808 0.132 -2.015) 2.711 7.734 ( 0.759 0.301 0.272) 0.861 7.738 ( 0.105 -0.123 -0.279) 0.323 7.984 ( -2.259 0.327 2.361) 3.284 8.026 ( 2.074 -0.320 -2.019) 2.912 8.196 ( -3.335 0.642 3.859) 5.141 8.270 ( 3.221 0.740 -3.873) 5.091 8.541 ( -0.439 -0.196 0.864) 0.989 8.559 ( 0.240 0.532 -1.045) 1.197 9.789 ( -0.396 -1.261 0.624) 1.462 9.805 ( 0.598 -1.045 -1.046) 1.595 9.844 ( -0.297 -0.250 0.340) 0.516 9.852 ( 0.255 0.341 -0.329) 0.538 11.911 ( 0.986 -1.078 1.284) 1.945 11.937 ( -0.981 -1.258 -1.442) 2.151 13.522 ( -1.842 -0.548 2.803) 3.399 13.571 ( 1.380 0.103 -2.342) 2.721 14.109 ( -1.913 0.201 2.723) 3.334 14.164 ( 2.218 -0.508 -3.044) 3.801 14.790 ( -0.920 1.668 0.519) 1.974 14.797 ( 0.587 1.592 -0.244) 1.714 ======================= Grid point 169 (90/100) ======================= q-point: (-0.14 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.417 -0.767 -6.553) 6.611 1.043 ( 6.594 -2.641 4.331) 8.319 1.311 ( -2.765 3.187 5.380) 6.837 1.372 ( 2.646 3.309 -6.349) 7.633 1.409 ( -4.051 -1.959 2.483) 5.139 1.527 ( 0.025 -2.455 2.871) 3.777 1.554 ( 6.037 1.027 -4.122) 7.382 1.580 ( 1.272 -2.030 -1.388) 2.769 1.711 ( -1.008 -0.747 -2.472) 2.773 1.724 ( 0.308 0.508 2.861) 2.922 1.828 ( -3.487 0.752 0.680) 3.632 1.913 ( 5.368 1.412 -0.992) 5.639 2.165 ( -5.589 1.073 2.033) 6.044 2.207 ( -4.486 -1.248 0.795) 4.724 2.271 ( 4.439 1.150 -1.808) 4.929 2.277 ( 2.655 -0.610 -0.008) 2.724 2.380 ( -3.639 -0.038 2.316) 4.314 2.418 ( 0.252 0.213 0.053) 0.334 2.499 ( -1.370 -0.242 0.087) 1.394 2.531 ( 2.773 1.006 -1.660) 3.385 2.585 ( -1.624 -1.612 -3.610) 4.274 2.644 ( 3.585 -0.155 1.210) 3.786 2.838 ( -1.718 1.222 4.681) 5.134 2.883 ( 2.826 0.576 -3.171) 4.286 2.972 ( -4.758 -0.257 2.550) 5.404 3.038 ( 2.002 -1.069 -2.901) 3.684 3.119 ( -2.655 2.213 2.490) 4.260 3.166 ( 1.833 0.796 -1.573) 2.543 3.282 ( -3.008 -1.106 1.419) 3.505 3.326 ( 1.046 -0.850 -1.334) 1.897 3.519 ( -2.526 1.196 2.570) 3.797 3.584 ( 3.995 1.973 -3.499) 5.665 3.805 ( -2.096 -0.515 1.127) 2.435 3.852 ( 2.603 0.882 -1.518) 3.140 4.251 ( -2.225 0.412 2.627) 3.467 4.302 ( 2.549 0.318 -1.591) 3.022 4.362 ( -2.631 -0.687 1.495) 3.103 4.424 ( 3.360 0.158 -2.674) 4.297 4.837 ( -1.395 -1.453 -1.251) 2.371 4.861 ( 1.096 -1.149 1.632) 2.277 5.605 ( -0.522 0.133 0.823) 0.984 5.615 ( 0.487 -0.073 -0.878) 1.006 5.957 ( -5.302 1.249 5.345) 7.632 6.062 ( 5.348 0.692 -5.274) 7.543 7.032 ( -1.782 1.324 0.619) 2.305 7.061 ( 1.098 1.167 0.475) 1.671 7.192 ( -1.939 -0.146 1.030) 2.201 7.230 ( 2.072 -1.053 -1.687) 2.872 7.317 ( -2.227 0.537 0.764) 2.415 7.366 ( 2.649 -1.497 -0.877) 3.167 7.610 ( -2.765 -0.384 3.869) 4.771 7.658 ( 2.035 -0.372 -2.468) 3.220 7.730 ( -0.730 -0.348 -0.751) 1.103 7.742 ( 0.368 0.117 -0.061) 0.391 7.985 ( -2.073 -0.273 2.218) 3.048 8.018 ( 1.288 0.786 -2.015) 2.518 8.193 ( -2.964 0.367 3.640) 4.708 8.258 ( 3.551 0.439 -3.567) 5.053 8.543 ( -0.786 -0.066 0.439) 0.903 8.560 ( 0.960 -0.661 -0.274) 1.198 9.805 ( -0.205 0.082 0.094) 0.240 9.810 ( 0.281 0.059 0.006) 0.288 9.844 ( -0.484 -0.140 0.180) 0.535 9.854 ( 0.512 -0.667 -0.482) 0.969 11.929 ( -1.363 -0.957 -1.041) 1.964 11.953 ( 1.136 -0.751 1.041) 1.715 13.524 ( -2.807 0.066 1.598) 3.231 13.574 ( 2.245 -0.291 -1.153) 2.540 14.113 ( -2.622 -0.372 2.456) 3.611 14.165 ( 2.637 -0.002 -2.773) 3.827 14.763 ( -0.549 0.999 0.505) 1.247 14.780 ( 1.073 1.263 -0.107) 1.660 ======================= Grid point 173 (91/100) ======================= q-point: ( 0.43 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 6.472 0.000 -9.022) 11.104 1.101 ( 3.379 0.000 -10.410) 10.945 1.116 ( -5.590 -0.000 8.355) 10.053 1.370 ( 1.920 0.000 2.782) 3.380 1.432 ( -2.872 -0.000 -7.873) 8.381 1.546 ( 0.426 0.000 -3.005) 3.035 1.638 ( -1.589 -0.000 1.482) 2.173 1.691 ( -0.877 -0.000 -1.149) 1.445 1.777 ( 3.172 0.000 1.994) 3.747 1.903 ( 6.117 0.000 0.115) 6.118 1.920 ( -5.695 -0.000 0.978) 5.778 1.997 ( 1.039 0.000 -0.934) 1.397 2.047 ( -1.755 -0.000 1.737) 2.469 2.145 ( 2.615 0.000 5.579) 6.162 2.229 ( -5.142 -0.000 -3.631) 6.295 2.270 ( 6.913 0.000 1.489) 7.071 2.272 ( 10.386 0.000 -1.668) 10.519 2.372 ( -7.048 -0.000 2.005) 7.328 2.427 ( 6.232 0.000 1.029) 6.317 2.505 ( 5.472 0.000 -1.949) 5.809 2.508 ( -1.686 -0.000 0.704) 1.828 2.705 ( -8.151 -0.000 -1.953) 8.381 2.796 ( -1.770 -0.000 1.360) 2.232 2.872 ( -1.351 -0.000 -2.730) 3.046 2.897 ( 1.663 0.000 1.680) 2.364 2.995 ( -2.178 -0.000 3.502) 4.124 3.030 ( -1.167 -0.000 -1.707) 2.068 3.067 ( -0.388 -0.000 -1.274) 1.332 3.393 ( 1.923 0.000 -0.517) 1.991 3.394 ( -1.380 -0.000 1.397) 1.964 3.490 ( 0.533 0.000 5.347) 5.374 3.652 ( -0.839 -0.000 -2.433) 2.573 3.781 ( -0.106 -0.000 3.511) 3.512 3.919 ( 2.734 0.000 -2.777) 3.897 4.255 ( 1.707 0.000 -1.979) 2.613 4.284 ( -2.356 -0.000 0.818) 2.494 4.380 ( 0.216 0.000 -0.201) 0.295 4.448 ( 1.980 0.000 -3.610) 4.117 4.801 ( 2.882 0.000 0.472) 2.920 4.911 ( -3.607 -0.000 -1.224) 3.809 5.584 ( -0.542 -0.000 1.612) 1.700 5.623 ( 0.823 0.000 -0.818) 1.160 6.031 ( -3.224 -0.000 6.139) 6.934 6.141 ( 3.117 0.000 -2.953) 4.293 6.994 ( -0.931 -0.000 2.066) 2.266 7.042 ( 0.891 0.000 -1.291) 1.568 7.155 ( -1.193 -0.000 3.109) 3.330 7.228 ( -2.028 -0.000 3.917) 4.411 7.265 ( 0.435 0.000 -2.868) 2.901 7.385 ( -0.156 -0.000 -4.803) 4.805 7.666 ( -5.117 -0.000 3.446) 6.170 7.682 ( 3.811 0.000 -2.509) 4.563 7.725 ( -1.192 -0.000 2.081) 2.398 7.774 ( -0.823 -0.000 -0.369) 0.902 7.969 ( 0.528 0.000 0.909) 1.051 8.012 ( -0.016 -0.000 -0.073) 0.075 8.224 ( -2.444 -0.000 3.323) 4.125 8.294 ( 3.670 0.000 -3.328) 4.954 8.529 ( 0.408 0.000 1.523) 1.577 8.606 ( -0.144 -0.000 -1.570) 1.577 9.748 ( 1.884 0.000 -1.114) 2.189 9.752 ( -1.796 -0.000 0.622) 1.901 9.828 ( -1.572 -0.000 1.112) 1.925 9.859 ( 1.390 0.000 -1.891) 2.346 11.872 ( 0.821 0.000 -0.786) 1.137 11.909 ( -1.480 -0.000 -1.181) 1.894 13.487 ( -1.826 -0.000 3.449) 3.903 13.588 ( 0.330 0.000 -2.513) 2.534 14.130 ( 2.279 0.000 -0.999) 2.488 14.135 ( -1.550 -0.000 0.999) 1.845 14.829 ( 1.992 0.000 0.352) 2.023 14.884 ( -2.739 -0.000 0.767) 2.844 ======================= Grid point 174 (92/100) ======================= q-point: (-0.43 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 4.788 2.503 -2.732) 6.054 0.973 ( -4.508 1.028 -5.336) 7.060 1.216 ( -3.608 -5.385 5.907) 8.770 1.358 ( 2.326 -1.520 -8.183) 8.642 1.425 ( -0.428 -0.830 5.219) 5.302 1.508 ( -1.675 -0.747 -3.994) 4.395 1.617 ( -2.384 2.546 2.320) 4.189 1.665 ( 0.211 1.374 -0.919) 1.666 1.829 ( 2.254 3.056 0.785) 3.877 1.845 ( -0.245 1.309 -0.385) 1.386 1.927 ( -4.435 4.097 0.420) 6.052 1.956 ( 7.886 2.171 -1.978) 8.415 2.092 ( 0.355 0.268 0.549) 0.707 2.133 ( -0.927 -3.680 -2.779) 4.704 2.227 ( -2.379 0.452 6.992) 7.399 2.313 ( -3.757 -1.670 1.359) 4.330 2.332 ( -4.223 -0.486 0.920) 4.349 2.389 ( 9.056 -2.211 -3.372) 9.913 2.495 ( -2.390 -1.421 1.213) 3.033 2.533 ( 8.483 -1.378 -2.156) 8.860 2.544 ( 1.801 -0.621 2.252) 2.950 2.609 ( -3.467 -0.483 -3.887) 5.231 2.810 ( -2.049 -1.709 2.098) 3.394 2.842 ( -0.531 -1.056 -1.575) 1.969 2.929 ( -0.767 0.660 2.605) 2.795 2.985 ( 0.237 0.388 -3.009) 3.043 3.030 ( -0.753 -2.480 2.563) 3.645 3.075 ( 1.521 -1.843 -1.892) 3.048 3.361 ( -1.438 2.895 1.289) 3.480 3.383 ( 1.565 2.650 -0.793) 3.178 3.550 ( -0.652 -0.563 4.501) 4.583 3.626 ( 1.049 -0.416 -3.275) 3.464 3.819 ( -0.360 -0.540 4.182) 4.232 3.902 ( 0.535 0.808 -3.844) 3.964 4.261 ( -0.953 -0.233 1.055) 1.441 4.275 ( 0.263 -1.199 -0.888) 1.515 4.387 ( -0.287 -0.122 0.185) 0.362 4.421 ( 1.705 0.984 -3.030) 3.613 4.834 ( 3.250 0.471 0.928) 3.413 4.856 ( -3.542 0.755 -1.333) 3.859 5.594 ( -0.507 -0.084 1.506) 1.591 5.620 ( 0.542 0.137 -1.099) 1.233 6.042 ( -3.361 1.521 5.506) 6.628 6.130 ( 3.348 1.147 -3.907) 5.272 7.017 ( -0.572 -1.307 1.921) 2.393 7.050 ( 1.024 -1.272 -1.584) 2.275 7.167 ( -1.000 0.844 3.543) 3.777 7.233 ( 0.689 0.733 -3.360) 3.507 7.266 ( -1.066 -1.502 4.109) 4.503 7.348 ( 0.643 -0.483 -4.407) 4.480 7.640 ( -4.834 0.774 3.037) 5.761 7.688 ( 3.287 1.228 -1.750) 3.921 7.738 ( 0.392 -0.116 1.289) 1.353 7.755 ( -0.556 0.680 -0.465) 0.994 7.987 ( -0.698 -0.212 1.160) 1.371 8.009 ( 0.887 -0.319 -0.905) 1.306 8.223 ( -3.047 0.698 3.565) 4.742 8.292 ( 3.255 0.436 -3.657) 4.916 8.547 ( 0.341 0.338 1.814) 1.877 8.581 ( -0.511 0.555 -1.803) 1.954 9.749 ( -1.452 -0.864 0.610) 1.796 9.764 ( 1.699 -0.898 -1.050) 2.190 9.830 ( -1.152 -0.537 1.277) 1.802 9.856 ( 1.035 -0.098 -1.481) 1.809 11.881 ( 0.982 -0.505 0.238) 1.129 11.895 ( -1.011 -1.036 -1.194) 1.876 13.507 ( -1.501 -0.304 3.580) 3.894 13.569 ( 0.837 -0.137 -2.838) 2.962 14.122 ( -1.643 0.460 1.266) 2.125 14.147 ( 1.905 -0.448 -1.375) 2.391 14.843 ( 1.348 1.219 0.621) 1.921 14.850 ( -1.880 1.233 0.026) 2.248 ======================= Grid point 175 (93/100) ======================= q-point: (-0.29 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -3.375 -2.746 -4.188) 6.039 0.965 ( 3.914 -0.834 2.378) 4.655 1.253 ( -9.052 -1.913 1.584) 9.387 1.374 ( 2.322 -2.291 -1.347) 3.529 1.469 ( -1.688 -0.696 -1.680) 2.481 1.494 ( -0.295 -1.430 3.345) 3.650 1.580 ( -0.573 3.149 1.930) 3.737 1.651 ( 5.454 1.962 -0.653) 5.833 1.763 ( -1.188 3.487 -1.745) 4.076 1.810 ( 3.629 5.561 1.076) 6.727 1.828 ( -5.682 0.836 0.677) 5.783 1.967 ( 7.767 2.880 -1.871) 8.492 2.125 ( -3.324 -3.342 2.871) 5.519 2.162 ( -1.124 -2.087 -4.030) 4.675 2.256 ( 0.553 0.036 2.136) 2.207 2.290 ( 0.871 -0.127 -3.071) 3.194 2.331 ( -7.537 -4.442 3.151) 9.299 2.411 ( -0.787 0.291 -1.469) 1.692 2.513 ( -1.310 -2.441 -1.302) 3.061 2.520 ( -3.088 1.365 1.441) 3.671 2.580 ( 3.868 0.737 -3.556) 5.306 2.651 ( 6.871 -0.175 0.656) 6.905 2.844 ( -0.786 -1.983 1.918) 2.869 2.872 ( 0.893 -1.894 -0.093) 2.096 2.907 ( -5.006 -0.367 2.969) 5.832 2.992 ( 2.972 -0.817 -2.190) 3.781 3.101 ( 0.174 -3.893 0.858) 3.990 3.111 ( 1.177 -2.387 -0.922) 2.817 3.314 ( -1.036 2.600 0.889) 2.936 3.335 ( 1.128 2.755 -1.455) 3.313 3.558 ( -2.984 0.846 2.491) 3.978 3.628 ( 3.844 0.174 -3.216) 5.015 3.836 ( -2.000 1.698 -2.778) 3.821 3.868 ( 1.232 -0.172 3.245) 3.475 4.259 ( -2.486 -0.466 1.150) 2.778 4.306 ( 2.132 -1.099 -0.795) 2.527 4.359 ( -2.858 1.251 1.024) 3.283 4.421 ( 3.291 -0.263 -2.306) 4.027 4.808 ( -2.658 -0.006 -0.643) 2.735 4.860 ( 2.757 0.994 1.000) 3.097 5.603 ( -0.450 -0.114 0.933) 1.042 5.612 ( 0.459 -0.004 -0.959) 1.063 6.021 ( -4.115 2.402 4.993) 6.902 6.102 ( 4.155 1.496 -4.943) 6.629 7.046 ( -0.921 -0.767 0.663) 1.369 7.070 ( 1.476 -1.186 -0.498) 1.957 7.179 ( -1.150 0.384 2.992) 3.228 7.204 ( 1.538 -0.028 -3.076) 3.439 7.315 ( -0.635 -0.873 3.057) 3.242 7.332 ( 1.036 -0.830 -2.915) 3.203 7.613 ( -3.835 0.601 2.969) 4.887 7.677 ( 2.090 1.496 -1.077) 2.787 7.736 ( -0.068 0.671 -0.660) 0.943 7.752 ( 1.223 0.345 -0.144) 1.279 7.979 ( -2.561 0.086 1.605) 3.023 8.024 ( 2.043 -0.550 -1.539) 2.616 8.212 ( -3.497 0.804 3.760) 5.197 8.278 ( 3.147 0.671 -3.798) 4.978 8.553 ( -0.343 0.376 -0.810) 0.956 8.557 ( 0.072 0.600 1.002) 1.170 9.765 ( -0.853 -1.639 0.711) 1.980 9.786 ( 1.266 -1.065 -0.944) 1.905 9.844 ( -0.271 -0.386 0.934) 1.046 9.854 ( 0.658 -0.023 -0.866) 1.088 11.891 ( -1.211 -1.201 -0.825) 1.895 11.917 ( 1.499 -1.240 0.822) 2.111 13.527 ( -1.738 0.030 2.839) 3.329 13.560 ( 1.603 -0.512 -2.242) 2.803 14.110 ( -2.573 0.137 1.444) 2.954 14.159 ( 2.570 -0.262 -1.745) 3.118 14.805 ( -1.817 1.432 0.188) 2.321 14.838 ( 1.452 2.135 0.245) 2.593 ======================= Grid point 176 (94/100) ======================= q-point: (-0.14 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.763 -3.060 -5.202) 6.084 1.112 ( 5.580 -4.024 7.794) 10.396 1.222 ( -7.663 -4.900 0.180) 9.097 1.358 ( -2.598 1.929 -3.156) 4.520 1.431 ( -0.052 0.917 -1.097) 1.431 1.549 ( 2.044 -1.394 1.025) 2.678 1.562 ( 0.759 2.024 3.012) 3.707 1.677 ( 4.998 1.526 1.308) 5.387 1.681 ( 1.615 3.884 -3.534) 5.494 1.786 ( 1.427 3.553 3.650) 5.290 1.807 ( -2.817 -1.429 1.371) 3.443 1.977 ( 5.944 1.865 -2.327) 6.650 2.120 ( -4.038 -1.262 -2.887) 5.122 2.126 ( -4.639 -0.233 -1.391) 4.849 2.269 ( -1.113 -2.004 -0.513) 2.349 2.324 ( -0.273 -2.443 0.925) 2.626 2.363 ( -1.355 -0.698 3.075) 3.432 2.393 ( -1.991 -1.531 0.182) 2.518 2.484 ( -2.290 1.026 1.558) 2.954 2.523 ( 2.127 -1.037 -3.824) 4.497 2.554 ( 1.121 1.307 -2.900) 3.373 2.698 ( 4.191 1.078 0.032) 4.327 2.875 ( -0.090 -0.007 2.612) 2.613 2.886 ( -0.212 0.062 0.131) 0.257 2.931 ( -4.236 -2.753 3.252) 6.008 3.008 ( 2.237 -0.790 -2.879) 3.731 3.139 ( -0.551 -0.223 1.049) 1.206 3.157 ( 0.594 -2.198 -0.339) 2.302 3.273 ( -1.360 1.848 0.867) 2.452 3.308 ( 0.270 -0.194 -1.677) 1.710 3.531 ( -2.000 1.019 0.789) 2.380 3.621 ( 3.256 1.401 -2.698) 4.455 3.780 ( -2.026 0.332 -0.650) 2.154 3.897 ( 2.410 1.366 0.887) 2.909 4.248 ( -2.233 -0.035 0.606) 2.314 4.315 ( 0.448 -0.018 -0.417) 0.612 4.345 ( -1.770 -0.049 1.660) 2.428 4.436 ( 3.571 -0.128 -2.404) 4.306 4.797 ( -1.477 -1.202 -0.042) 1.904 4.877 ( 1.607 0.476 1.183) 2.051 5.605 ( -0.133 -0.217 -0.132) 0.287 5.614 ( 0.295 -0.013 0.068) 0.303 5.983 ( -4.511 2.200 4.207) 6.549 6.079 ( 4.504 0.927 -4.546) 6.466 7.036 ( -1.076 0.576 -0.195) 1.236 7.096 ( 1.313 0.331 0.884) 1.618 7.178 ( -1.415 -0.095 0.435) 1.483 7.213 ( 1.376 -1.093 -1.150) 2.100 7.316 ( -0.436 0.372 -0.560) 0.801 7.356 ( 0.975 -1.179 0.557) 1.628 7.608 ( -3.186 -0.450 3.494) 4.750 7.664 ( 1.743 0.892 -1.338) 2.372 7.717 ( 0.193 0.593 -1.270) 1.414 7.747 ( 0.407 0.554 -0.607) 0.917 7.972 ( -2.718 -0.422 1.688) 3.227 8.029 ( 1.619 0.477 -1.526) 2.276 8.203 ( -3.152 0.386 3.399) 4.652 8.267 ( 3.377 0.372 -3.304) 4.739 8.548 ( 0.184 -0.519 -0.236) 0.599 8.555 ( -0.063 0.603 0.718) 0.940 9.792 ( -0.119 -1.353 0.231) 1.378 9.804 ( 0.498 -0.872 -0.263) 1.038 9.845 ( -0.043 0.309 0.174) 0.358 9.857 ( 0.689 0.206 -0.198) 0.746 11.890 ( -1.047 -1.001 -0.858) 1.684 11.959 ( 1.115 -1.035 1.035) 1.840 13.521 ( -1.756 0.571 1.133) 2.166 13.575 ( 1.569 -0.682 -0.618) 1.819 14.098 ( -2.489 -0.273 1.202) 2.778 14.172 ( 2.580 -0.021 -1.535) 3.002 14.776 ( -0.864 0.810 0.378) 1.243 14.814 ( 0.703 1.901 -0.050) 2.027 ======================= Grid point 181 (95/100) ======================= q-point: (-0.43 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -9.748 -0.000 -2.217) 9.997 0.968 ( -2.984 -0.000 3.249) 4.412 1.232 ( 0.172 0.000 9.767) 9.768 1.271 ( 1.551 0.000 -7.573) 7.730 1.449 ( -1.600 -0.000 -3.313) 3.679 1.472 ( 0.529 0.000 4.477) 4.508 1.656 ( 1.347 0.000 2.209) 2.587 1.667 ( -3.126 -0.000 -0.607) 3.184 1.814 ( -0.522 -0.000 -1.306) 1.407 1.904 ( 1.969 0.000 1.643) 2.565 1.948 ( -1.547 -0.000 -4.715) 4.962 1.998 ( 2.297 0.000 -0.222) 2.307 2.073 ( -1.225 -0.000 -1.809) 2.185 2.132 ( -2.482 -0.000 4.447) 5.093 2.166 ( -9.358 -0.000 2.368) 9.653 2.245 ( -5.016 -0.000 4.013) 6.423 2.343 ( 3.205 0.000 -7.330) 8.000 2.411 ( 4.771 0.000 -1.422) 4.979 2.468 ( -1.647 -0.000 -1.006) 1.930 2.509 ( -4.404 -0.000 -3.131) 5.403 2.564 ( 6.542 0.000 -4.480) 7.929 2.637 ( 8.705 0.000 4.311) 9.714 2.805 ( -1.852 -0.000 -0.480) 1.913 2.810 ( -1.126 -0.000 3.762) 3.927 2.951 ( -0.300 -0.000 -3.402) 3.415 2.978 ( -0.067 -0.000 3.800) 3.800 3.040 ( 2.617 0.000 1.538) 3.035 3.056 ( 2.622 0.000 -2.779) 3.821 3.374 ( -2.926 -0.000 0.875) 3.054 3.417 ( 1.522 0.000 -0.779) 1.710 3.589 ( 0.787 0.000 -4.217) 4.290 3.592 ( 1.113 0.000 4.010) 4.162 3.840 ( -2.559 -0.000 4.746) 5.392 3.871 ( 0.492 0.000 -5.631) 5.653 4.242 ( -2.042 -0.000 -0.028) 2.042 4.278 ( 1.620 0.000 0.791) 1.803 4.397 ( -0.425 -0.000 1.712) 1.764 4.410 ( 0.827 0.000 -3.051) 3.161 4.816 ( -3.462 -0.000 -1.146) 3.647 4.885 ( 3.676 0.000 1.402) 3.934 5.602 ( -0.656 -0.000 1.412) 1.557 5.614 ( 0.410 0.000 -1.442) 1.499 6.072 ( -2.996 -0.000 4.507) 5.412 6.132 ( 3.201 0.000 -4.506) 5.527 7.015 ( -0.337 -0.000 1.505) 1.542 7.035 ( 1.569 0.000 -2.090) 2.614 7.204 ( -0.501 -0.000 3.537) 3.573 7.216 ( 0.795 0.000 -3.306) 3.400 7.289 ( -0.443 -0.000 5.299) 5.317 7.310 ( 1.511 0.000 -4.578) 4.821 7.629 ( -4.632 -0.000 3.215) 5.638 7.720 ( 3.731 0.000 -1.999) 4.233 7.752 ( 0.751 0.000 -1.174) 1.394 7.753 ( -0.100 -0.000 2.155) 2.157 7.993 ( -0.347 -0.000 -1.373) 1.416 8.000 ( 0.433 0.000 1.048) 1.134 8.229 ( -3.473 -0.000 3.428) 4.880 8.291 ( 2.754 0.000 -3.697) 4.610 8.562 ( -0.862 -0.000 -1.852) 2.043 8.572 ( 0.187 0.000 2.018) 2.027 9.732 ( -1.525 -0.000 0.619) 1.646 9.766 ( 1.966 0.000 -0.911) 2.166 9.824 ( -1.629 -0.000 1.699) 2.353 9.853 ( 1.258 0.000 -1.533) 1.984 11.868 ( -0.974 -0.000 -0.408) 1.056 11.893 ( 1.575 0.000 0.438) 1.635 13.527 ( -1.064 -0.000 3.778) 3.925 13.549 ( 1.118 0.000 -2.996) 3.198 14.114 ( -2.203 -0.000 0.692) 2.309 14.154 ( 1.847 0.000 -0.951) 2.077 14.834 ( -2.571 -0.000 -0.098) 2.573 14.885 ( 2.665 0.000 0.763) 2.772 ======================= Grid point 182 (96/100) ======================= q-point: (-0.29 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -8.803 -0.882 4.617) 9.980 0.963 ( -7.987 -2.241 6.048) 10.265 1.210 ( -0.739 1.978 -2.314) 3.133 1.349 ( 2.677 -1.835 2.912) 4.360 1.419 ( -1.485 -0.590 -1.327) 2.077 1.515 ( -1.133 -0.617 5.203) 5.361 1.644 ( -4.317 -2.402 2.510) 5.541 1.681 ( 4.066 1.638 0.850) 4.465 1.798 ( -2.372 3.601 -1.270) 4.496 1.833 ( 2.138 3.024 -1.325) 3.933 1.908 ( 2.563 2.002 -2.972) 4.405 1.993 ( -16.761 -7.140 5.782) 19.114 2.077 ( 3.664 1.361 -1.163) 4.078 2.115 ( 0.433 -0.649 -3.397) 3.485 2.154 ( -3.513 1.083 2.075) 4.221 2.256 ( -1.357 0.368 -1.200) 1.848 2.282 ( -0.603 -3.005 -2.911) 4.227 2.413 ( 1.204 1.666 -2.008) 2.873 2.467 ( 1.079 -2.071 -1.629) 2.848 2.487 ( -0.409 -2.315 -2.041) 3.113 2.581 ( 2.866 -0.507 -3.728) 4.729 2.738 ( 6.546 1.263 2.071) 6.981 2.810 ( -1.268 -2.393 1.873) 3.293 2.853 ( -0.331 -1.135 3.198) 3.410 2.911 ( 0.199 1.327 -1.694) 2.161 3.007 ( 0.228 -0.160 1.548) 1.572 3.077 ( 2.975 -1.693 -2.347) 4.151 3.079 ( 2.613 -0.545 0.626) 2.741 3.340 ( -2.863 1.298 1.091) 3.327 3.390 ( 1.514 3.515 -1.813) 4.235 3.549 ( -0.262 0.332 -3.014) 3.043 3.642 ( 2.079 -0.180 0.681) 2.195 3.811 ( -1.147 0.701 -3.599) 3.842 3.877 ( -1.848 -2.374 3.267) 4.441 4.232 ( -2.024 -0.628 0.684) 2.227 4.309 ( 1.819 -0.627 0.438) 1.974 4.369 ( -1.777 1.766 0.544) 2.564 4.420 ( 1.277 -0.853 -0.778) 1.722 4.777 ( -2.675 -0.008 -0.357) 2.698 4.922 ( 3.216 1.229 1.322) 3.688 5.602 ( -0.014 0.063 -0.632) 0.635 5.609 ( -0.218 -0.203 0.199) 0.358 6.062 ( -3.554 1.955 3.633) 5.446 6.112 ( 3.741 0.785 -5.246) 6.491 7.028 ( 0.157 -0.541 -0.819) 0.994 7.049 ( 1.226 -1.979 -0.512) 2.384 7.192 ( 1.450 0.431 -2.958) 3.322 7.219 ( -0.781 1.094 3.182) 3.454 7.296 ( 1.960 -0.905 -3.621) 4.216 7.342 ( 0.217 -0.198 4.919) 4.927 7.615 ( -3.585 0.539 3.272) 4.884 7.715 ( 0.777 1.684 -0.295) 1.878 7.748 ( 2.580 0.875 -1.934) 3.341 7.768 ( 0.803 0.405 0.071) 0.902 7.973 ( -1.448 0.438 0.184) 1.524 8.017 ( 1.166 -0.749 -0.730) 1.567 8.221 ( -3.726 0.517 3.323) 5.020 8.278 ( 2.434 0.265 -3.631) 4.379 8.538 ( -0.600 0.000 -1.380) 1.505 8.584 ( -0.246 0.645 1.767) 1.897 9.737 ( -1.046 -1.465 0.730) 1.943 9.780 ( 1.634 -0.341 -0.740) 1.825 9.838 ( -0.718 -1.209 1.360) 1.956 9.852 ( 1.023 0.066 -0.866) 1.342 11.863 ( -0.646 -0.458 0.052) 0.793 11.922 ( 1.601 -0.872 0.930) 2.046 13.533 ( 0.793 0.135 -1.695) 1.877 13.556 ( -0.027 -0.310 2.420) 2.440 14.098 ( -2.364 0.120 0.873) 2.523 14.163 ( 1.843 -0.334 -1.218) 2.235 14.804 ( -2.012 0.671 0.029) 2.121 14.895 ( 2.005 2.338 0.017) 3.079 ======================= Grid point 183 (97/100) ======================= q-point: (-0.14 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -3.353 -2.518 4.069) 5.843 1.027 ( -10.997 -7.308 6.741) 14.825 1.189 ( 2.901 -1.931 2.000) 4.018 1.362 ( -0.632 3.557 -0.633) 3.668 1.403 ( -0.060 -1.148 -1.999) 2.306 1.568 ( -0.359 -1.013 4.024) 4.165 1.645 ( -1.808 3.937 3.380) 5.495 1.724 ( 4.272 1.936 0.478) 4.715 1.744 ( -1.736 -4.907 1.906) 5.543 1.785 ( 3.517 5.731 -3.147) 7.424 1.873 ( 0.001 0.641 -2.931) 3.001 2.018 ( -0.589 2.525 -0.924) 2.752 2.058 ( -9.405 -6.881 1.791) 11.790 2.081 ( -0.740 1.856 -2.270) 3.024 2.123 ( -3.001 -2.197 2.409) 4.431 2.275 ( -0.129 -3.211 0.062) 3.214 2.305 ( -2.774 -3.104 0.405) 4.182 2.414 ( 4.023 -0.472 -0.472) 4.078 2.494 ( -0.707 -0.646 0.663) 1.165 2.503 ( 3.347 -1.139 -4.209) 5.497 2.552 ( -1.064 1.686 -2.357) 3.087 2.765 ( 4.691 2.460 -1.115) 5.413 2.850 ( -3.615 -1.490 1.512) 4.192 2.880 ( -0.250 -1.786 0.798) 1.972 2.919 ( 0.868 -0.477 3.579) 3.713 3.008 ( 1.778 0.769 -1.768) 2.623 3.111 ( 1.159 -2.466 -0.584) 2.787 3.131 ( 1.328 -2.343 -0.401) 2.723 3.305 ( -1.592 1.447 0.546) 2.220 3.321 ( 0.990 3.599 -1.130) 3.900 3.522 ( -0.424 -0.140 -2.011) 2.059 3.643 ( 1.448 1.249 -1.486) 2.422 3.770 ( -0.827 0.746 -0.752) 1.344 3.926 ( 0.459 -1.333 0.617) 1.539 4.227 ( -2.765 -0.282 1.442) 3.131 4.309 ( -0.177 0.816 -1.260) 1.511 4.356 ( -1.312 0.166 2.897) 3.185 4.438 ( 2.632 -0.767 -2.205) 3.518 4.766 ( -1.512 -1.045 0.609) 1.936 4.930 ( 2.047 2.124 0.985) 3.109 5.600 ( 0.250 -0.192 -0.254) 0.405 5.613 ( 0.078 -0.379 -0.120) 0.406 6.015 ( -3.905 2.628 2.601) 5.378 6.090 ( 3.798 0.654 -4.631) 6.025 7.024 ( -0.415 -0.349 -1.070) 1.200 7.093 ( 0.993 -2.119 -0.608) 2.418 7.179 ( 1.386 0.460 -1.474) 2.075 7.217 ( -0.624 0.862 1.682) 1.991 7.303 ( 1.757 -0.805 -2.259) 2.973 7.374 ( -0.562 0.952 3.474) 3.645 7.604 ( -3.559 0.297 3.554) 5.039 7.686 ( -0.247 1.520 0.125) 1.545 7.734 ( 3.094 1.554 -2.808) 4.458 7.756 ( 0.428 0.838 -0.890) 1.295 7.956 ( -2.506 0.004 1.408) 2.874 8.031 ( 1.686 -0.387 -1.516) 2.300 8.207 ( -3.409 0.408 3.029) 4.578 8.269 ( 2.558 -0.075 -3.147) 4.056 8.531 ( 0.075 -0.753 -0.619) 0.978 8.580 ( -0.573 1.097 1.309) 1.802 9.769 ( -0.292 -2.022 0.845) 2.211 9.794 ( 0.951 -0.543 -0.581) 1.240 9.849 ( 0.443 -0.068 -0.674) 0.810 9.865 ( 0.979 -0.142 0.424) 1.077 11.868 ( -0.324 -0.433 0.274) 0.606 11.961 ( 1.085 -1.028 0.909) 1.749 13.524 ( 0.575 0.300 -0.988) 1.182 13.578 ( 0.110 -0.054 1.381) 1.386 14.085 ( -2.131 -0.006 1.323) 2.508 14.178 ( 2.329 -0.491 -1.619) 2.879 14.779 ( -1.281 0.526 0.193) 1.398 14.853 ( -0.214 2.849 -0.640) 2.928 ======================= Grid point 189 (98/100) ======================= q-point: (-0.29 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -10.623 -0.000 13.142) 16.898 0.906 ( -14.533 -0.000 10.794) 18.103 1.221 ( 4.641 0.000 -4.070) 6.172 1.348 ( -0.966 -0.000 -1.903) 2.134 1.474 ( 1.754 0.000 8.124) 8.311 1.514 ( -0.976 -0.000 -1.470) 1.764 1.568 ( -4.631 -0.000 1.721) 4.940 1.728 ( -16.779 -0.000 8.937) 19.010 1.777 ( -4.957 -0.000 7.793) 9.236 1.793 ( -4.903 -0.000 -3.530) 6.041 1.879 ( 6.457 0.000 -4.236) 7.722 1.919 ( -3.971 -0.000 2.011) 4.452 2.083 ( -1.390 -0.000 3.758) 4.007 2.108 ( 0.832 0.000 -8.628) 8.668 2.167 ( 1.464 0.000 -3.485) 3.780 2.199 ( 2.483 0.000 -3.445) 4.246 2.276 ( -0.383 -0.000 2.829) 2.854 2.428 ( 4.389 0.000 -4.448) 6.249 2.442 ( 1.804 0.000 -0.607) 1.903 2.450 ( -0.103 -0.000 0.338) 0.354 2.557 ( 1.560 0.000 -4.615) 4.872 2.775 ( -2.045 -0.000 1.112) 2.328 2.842 ( 4.662 0.000 2.259) 5.180 2.879 ( -0.493 -0.000 4.163) 4.192 2.913 ( 3.487 0.000 -4.226) 5.478 3.009 ( -1.800 -0.000 2.126) 2.785 3.065 ( 3.952 0.000 -3.251) 5.117 3.127 ( 3.501 0.000 -1.012) 3.645 3.329 ( -3.676 -0.000 2.255) 4.313 3.415 ( 0.832 0.000 -1.954) 2.124 3.512 ( 1.950 0.000 -7.350) 7.604 3.671 ( 0.907 0.000 1.916) 2.120 3.770 ( -1.296 -0.000 -2.744) 3.035 3.846 ( -4.592 -0.000 3.465) 5.752 4.223 ( -1.512 -0.000 1.922) 2.446 4.324 ( 1.719 0.000 -0.294) 1.743 4.379 ( 0.143 0.000 -0.683) 0.698 4.411 ( -1.703 -0.000 1.670) 2.385 4.753 ( -1.972 -0.000 0.439) 2.020 4.972 ( 2.624 0.000 0.785) 2.739 5.593 ( 0.430 0.000 -1.321) 1.389 5.606 ( -0.822 -0.000 0.658) 1.053 6.073 ( -4.011 -0.000 2.620) 4.790 6.102 ( 4.043 0.000 -6.095) 7.314 7.020 ( 1.505 0.000 -2.691) 3.083 7.033 ( -0.088 -0.000 0.631) 0.637 7.185 ( 1.837 0.000 -2.547) 3.140 7.242 ( -1.181 -0.000 1.451) 1.871 7.285 ( 2.817 0.000 -2.135) 3.534 7.397 ( 0.995 0.000 4.767) 4.869 7.624 ( -1.889 -0.000 3.128) 3.655 7.732 ( 0.186 0.000 -0.010) 0.186 7.766 ( 4.298 0.000 -3.935) 5.827 7.774 ( -1.266 -0.000 0.248) 1.290 7.968 ( 0.484 0.000 -0.977) 1.090 8.013 ( 0.200 0.000 -0.210) 0.290 8.218 ( -3.955 -0.000 3.198) 5.086 8.267 ( 2.004 0.000 -3.637) 4.153 8.521 ( -0.345 -0.000 -0.782) 0.854 8.599 ( -0.756 -0.000 1.437) 1.624 9.717 ( -1.274 -0.000 0.789) 1.498 9.790 ( 2.002 0.000 -0.880) 2.186 9.829 ( -1.644 -0.000 2.223) 2.765 9.861 ( 1.914 0.000 -0.284) 1.935 11.862 ( -0.169 -0.000 1.008) 1.022 11.939 ( 1.555 0.000 0.928) 1.811 13.525 ( 1.882 0.000 -2.669) 3.266 13.585 ( 0.329 0.000 3.101) 3.119 14.086 ( -2.082 -0.000 1.225) 2.416 14.163 ( 1.314 0.000 -1.242) 1.808 14.790 ( -1.881 -0.000 -0.006) 1.881 14.930 ( 1.677 0.000 -2.071) 2.665 ======================= Grid point 190 (99/100) ======================= q-point: (-0.14 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -8.087 -0.683 13.952) 16.141 0.896 ( -14.174 -2.829 11.462) 18.447 1.205 ( 2.691 1.250 -1.426) 3.292 1.361 ( -0.125 -2.091 -0.343) 2.122 1.429 ( 1.046 2.691 -1.051) 3.072 1.557 ( -1.498 -2.459 2.372) 3.730 1.644 ( -2.758 -5.406 2.853) 6.706 1.680 ( -5.925 -0.442 2.718) 6.533 1.754 ( -11.278 -3.999 3.110) 12.363 1.805 ( 2.047 1.452 0.158) 2.515 1.868 ( -7.429 -2.646 4.451) 9.055 1.896 ( 2.441 4.823 0.793) 5.464 2.016 ( -0.466 -0.303 -0.269) 0.618 2.117 ( 3.692 0.188 -2.905) 4.701 2.173 ( 1.638 3.456 -1.892) 4.267 2.215 ( 0.679 -2.704 2.333) 3.636 2.269 ( 1.866 -0.850 -1.456) 2.515 2.440 ( 3.451 -0.018 -2.411) 4.209 2.473 ( 2.128 -1.623 -2.158) 3.438 2.476 ( -0.308 -0.649 2.822) 2.912 2.534 ( 1.429 -0.511 -3.881) 4.168 2.777 ( -2.609 -1.453 1.174) 3.209 2.864 ( 0.916 3.078 -2.938) 4.353 2.886 ( 3.654 0.719 0.520) 3.761 2.937 ( 1.575 -1.942 1.349) 2.841 3.011 ( -1.277 -0.229 0.155) 1.306 3.088 ( 2.818 -1.669 -2.973) 4.423 3.110 ( 0.302 0.425 -1.491) 1.580 3.320 ( -1.507 1.378 2.311) 3.084 3.376 ( 0.982 2.680 -1.569) 3.257 3.481 ( 1.043 -1.550 -4.469) 4.843 3.668 ( -0.115 1.973 -0.377) 2.012 3.760 ( -0.282 -1.004 -0.387) 1.112 3.869 ( -2.868 -4.072 0.977) 5.075 4.226 ( -2.160 0.616 3.052) 3.789 4.317 ( 1.167 1.251 -2.311) 2.876 4.374 ( -1.701 0.494 2.946) 3.438 4.421 ( 0.581 -1.320 -1.061) 1.791 4.752 ( -0.881 -0.411 1.551) 1.831 4.983 ( 1.407 1.383 -0.119) 1.976 5.595 ( 0.949 -0.724 -0.871) 1.478 5.605 ( -0.697 -0.098 0.448) 0.834 6.033 ( -4.433 1.913 1.736) 5.131 6.085 ( 3.904 0.051 -5.660) 6.876 7.007 ( 0.402 -0.003 -1.645) 1.694 7.055 ( 0.207 -2.029 -0.817) 2.197 7.185 ( 2.454 -0.053 -1.879) 3.091 7.234 ( -1.409 0.444 0.954) 1.758 7.299 ( 2.866 -0.151 -1.387) 3.188 7.427 ( -0.703 1.626 3.336) 3.777 7.621 ( -2.682 1.584 2.970) 4.304 7.710 ( -1.252 1.801 0.557) 2.263 7.756 ( 1.011 0.377 -2.497) 2.720 7.758 ( 1.999 0.393 -2.409) 3.155 7.957 ( -0.402 0.916 0.439) 1.092 8.022 ( 1.119 -0.849 -1.010) 1.730 8.207 ( -3.676 0.285 2.952) 4.723 8.256 ( 2.104 -0.366 -3.305) 3.935 8.520 ( 0.314 -0.327 -0.049) 0.456 8.597 ( -1.121 0.588 1.058) 1.650 9.735 ( -0.585 -2.179 0.766) 2.383 9.797 ( 1.217 0.077 -0.509) 1.321 9.840 ( -0.754 -0.522 0.889) 1.277 9.883 ( 2.657 0.055 -0.287) 2.673 11.874 ( 0.228 0.068 1.441) 1.460 11.965 ( 0.986 -0.599 0.699) 1.349 13.523 ( 2.140 -0.151 -2.108) 3.008 13.603 ( 0.059 1.024 1.582) 1.885 14.083 ( -1.581 0.128 2.002) 2.554 14.171 ( 1.834 -0.810 -1.685) 2.619 14.772 ( -1.465 0.176 -0.046) 1.476 14.877 ( -1.869 2.652 -2.789) 4.278 ======================= Grid point 197 (100/100) ======================= q-point: (-0.14 -0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -10.756 -0.000 15.369) 18.759 0.892 ( -11.523 -0.000 14.710) 18.686 1.243 ( 4.392 0.000 -7.227) 8.457 1.321 ( -0.272 -0.000 2.990) 3.002 1.466 ( 0.708 0.000 4.637) 4.691 1.515 ( -1.717 -0.000 -1.030) 2.002 1.593 ( -4.364 -0.000 -4.623) 6.358 1.658 ( -14.881 -0.000 16.785) 22.432 1.669 ( 2.045 0.000 4.138) 4.616 1.806 ( -0.958 -0.000 -3.277) 3.414 1.837 ( -3.859 -0.000 -0.577) 3.901 1.922 ( -6.735 -0.000 1.527) 6.906 2.082 ( 8.484 0.000 5.453) 10.086 2.142 ( 6.523 0.000 -0.643) 6.555 2.183 ( 1.959 0.000 -3.840) 4.310 2.250 ( 0.948 0.000 3.554) 3.678 2.261 ( 2.966 0.000 -3.360) 4.482 2.434 ( -2.106 -0.000 -2.192) 3.040 2.447 ( 2.701 0.000 -1.473) 3.077 2.517 ( 4.283 0.000 -3.171) 5.329 2.533 ( 1.845 0.000 4.377) 4.750 2.745 ( -2.309 -0.000 0.314) 2.330 2.893 ( -1.936 -0.000 -1.199) 2.277 2.910 ( 4.640 0.000 -4.538) 6.490 2.924 ( 3.806 0.000 -1.682) 4.161 2.989 ( -3.570 -0.000 1.240) 3.779 3.069 ( 2.970 0.000 -3.836) 4.852 3.080 ( -3.243 -0.000 -1.342) 3.509 3.378 ( -0.790 -0.000 -1.705) 1.879 3.380 ( 1.920 0.000 3.518) 4.008 3.432 ( 2.209 0.000 -3.749) 4.351 3.681 ( -1.261 -0.000 -0.617) 1.404 3.742 ( -0.029 -0.000 0.384) 0.385 3.806 ( -4.416 -0.000 2.058) 4.872 4.249 ( -1.645 -0.000 3.586) 3.945 4.319 ( 2.092 0.000 -2.905) 3.580 4.392 ( -2.169 -0.000 0.792) 2.309 4.394 ( -0.134 -0.000 1.078) 1.087 4.765 ( 0.129 0.000 2.763) 2.766 4.993 ( 0.120 0.000 -1.598) 1.603 5.589 ( 0.933 0.000 -0.504) 1.060 5.604 ( -0.521 -0.000 0.590) 0.787 6.017 ( -6.074 -0.000 2.385) 6.526 6.068 ( 4.919 0.000 -6.717) 8.325 7.000 ( 1.371 0.000 -2.110) 2.516 7.026 ( -1.004 -0.000 -0.264) 1.038 7.192 ( 2.825 0.000 -1.695) 3.294 7.227 ( -1.696 -0.000 0.439) 1.752 7.319 ( 3.133 0.000 -0.761) 3.225 7.452 ( -2.265 -0.000 1.403) 2.664 7.631 ( -4.407 -0.000 2.129) 4.894 7.721 ( -2.074 -0.000 1.230) 2.411 7.738 ( 0.380 0.000 0.144) 0.407 7.757 ( 3.806 0.000 -5.212) 6.453 7.973 ( 0.773 0.000 -0.124) 0.783 8.013 ( 0.520 0.000 -0.570) 0.772 8.201 ( -3.800 -0.000 3.027) 4.859 8.243 ( 2.595 0.000 -3.394) 4.272 8.527 ( 0.936 0.000 0.604) 1.114 8.597 ( -1.463 -0.000 0.730) 1.635 9.719 ( -0.715 -0.000 1.653) 1.801 9.801 ( 1.352 0.000 -1.365) 1.921 9.841 ( -1.645 -0.000 2.442) 2.944 9.907 ( 3.509 0.000 -1.812) 3.949 11.895 ( 0.423 0.000 2.027) 2.071 11.973 ( 0.613 0.000 0.288) 0.678 13.526 ( 2.516 0.000 -1.656) 3.012 13.621 ( -0.049 -0.000 -0.662) 0.664 14.095 ( -0.650 -0.000 2.488) 2.572 14.163 ( 1.305 0.000 -1.360) 1.885 14.758 ( -1.238 -0.000 -0.278) 1.269 14.836 ( -4.381 -0.000 -3.392) 5.541 =================== 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 3/24696 10.0 53.939 63.168 58.288 -0.000 -10.144 0.000 3/24696 20.0 8.845 9.303 9.814 -0.000 -1.790 0.000 3/24696 30.0 4.020 4.020 4.453 -0.000 -0.814 0.000 3/24696 40.0 2.556 2.479 2.806 -0.000 -0.521 0.000 3/24696 50.0 1.877 1.788 2.048 -0.000 -0.387 0.000 3/24696 60.0 1.488 1.401 1.618 -0.000 -0.310 0.000 3/24696 70.0 1.236 1.153 1.341 -0.000 -0.261 0.000 3/24696 80.0 1.059 0.981 1.147 -0.000 -0.226 0.000 3/24696 90.0 0.928 0.854 1.004 -0.000 -0.200 0.000 3/24696 100.0 0.826 0.757 0.894 -0.000 -0.180 0.000 3/24696 110.0 0.746 0.681 0.806 -0.000 -0.164 0.000 3/24696 120.0 0.680 0.618 0.735 -0.000 -0.151 0.000 3/24696 130.0 0.625 0.567 0.676 -0.000 -0.140 0.000 3/24696 140.0 0.579 0.523 0.626 -0.000 -0.131 0.000 3/24696 150.0 0.540 0.486 0.583 -0.000 -0.123 0.000 3/24696 160.0 0.506 0.454 0.545 -0.000 -0.115 0.000 3/24696 170.0 0.475 0.426 0.513 -0.000 -0.109 0.000 3/24696 180.0 0.449 0.402 0.484 -0.000 -0.104 0.000 3/24696 190.0 0.425 0.380 0.458 -0.000 -0.099 0.000 3/24696 200.0 0.404 0.360 0.435 -0.000 -0.094 0.000 3/24696 210.0 0.385 0.343 0.415 -0.000 -0.090 0.000 3/24696 220.0 0.368 0.327 0.396 -0.000 -0.086 0.000 3/24696 230.0 0.352 0.312 0.379 -0.000 -0.083 0.000 3/24696 240.0 0.337 0.299 0.363 -0.000 -0.080 0.000 3/24696 250.0 0.324 0.287 0.349 -0.000 -0.077 0.000 3/24696 260.0 0.312 0.276 0.335 -0.000 -0.074 0.000 3/24696 270.0 0.301 0.265 0.323 -0.000 -0.071 0.000 3/24696 280.0 0.290 0.256 0.312 -0.000 -0.069 0.000 3/24696 290.0 0.280 0.247 0.301 -0.000 -0.067 0.000 3/24696 300.0 0.271 0.238 0.291 -0.000 -0.065 0.000 3/24696 310.0 0.262 0.231 0.282 -0.000 -0.063 0.000 3/24696 320.0 0.254 0.224 0.273 -0.000 -0.061 0.000 3/24696 330.0 0.247 0.217 0.265 -0.000 -0.059 0.000 3/24696 340.0 0.240 0.210 0.257 -0.000 -0.058 0.000 3/24696 350.0 0.233 0.204 0.250 -0.000 -0.056 0.000 3/24696 360.0 0.227 0.199 0.243 -0.000 -0.054 0.000 3/24696 370.0 0.221 0.193 0.237 -0.000 -0.053 0.000 3/24696 380.0 0.215 0.188 0.230 -0.000 -0.052 0.000 3/24696 390.0 0.210 0.183 0.225 -0.000 -0.051 0.000 3/24696 400.0 0.204 0.179 0.219 -0.000 -0.049 0.000 3/24696 410.0 0.200 0.174 0.214 -0.000 -0.048 0.000 3/24696 420.0 0.195 0.170 0.209 -0.000 -0.047 0.000 3/24696 430.0 0.190 0.166 0.204 -0.000 -0.046 0.000 3/24696 440.0 0.186 0.162 0.199 -0.000 -0.045 0.000 3/24696 450.0 0.182 0.159 0.195 -0.000 -0.044 0.000 3/24696 460.0 0.178 0.155 0.191 -0.000 -0.043 0.000 3/24696 470.0 0.175 0.152 0.187 -0.000 -0.042 0.000 3/24696 480.0 0.171 0.149 0.183 -0.000 -0.041 0.000 3/24696 490.0 0.168 0.146 0.179 -0.000 -0.041 0.000 3/24696 500.0 0.164 0.143 0.176 -0.000 -0.040 0.000 3/24696 510.0 0.161 0.140 0.172 -0.000 -0.039 0.000 3/24696 520.0 0.158 0.138 0.169 -0.000 -0.038 0.000 3/24696 530.0 0.155 0.135 0.166 -0.000 -0.038 0.000 3/24696 540.0 0.152 0.132 0.163 -0.000 -0.037 0.000 3/24696 550.0 0.150 0.130 0.160 -0.000 -0.036 0.000 3/24696 560.0 0.147 0.128 0.157 -0.000 -0.036 0.000 3/24696 570.0 0.144 0.125 0.154 -0.000 -0.035 0.000 3/24696 580.0 0.142 0.123 0.152 -0.000 -0.035 0.000 3/24696 590.0 0.140 0.121 0.149 -0.000 -0.034 0.000 3/24696 600.0 0.137 0.119 0.147 -0.000 -0.033 0.000 3/24696 610.0 0.135 0.117 0.144 -0.000 -0.033 0.000 3/24696 620.0 0.133 0.115 0.142 -0.000 -0.032 0.000 3/24696 630.0 0.131 0.114 0.140 -0.000 -0.032 0.000 3/24696 640.0 0.129 0.112 0.138 -0.000 -0.031 0.000 3/24696 650.0 0.127 0.110 0.135 -0.000 -0.031 0.000 3/24696 660.0 0.125 0.108 0.133 -0.000 -0.030 0.000 3/24696 670.0 0.123 0.107 0.131 -0.000 -0.030 0.000 3/24696 680.0 0.121 0.105 0.130 -0.000 -0.030 0.000 3/24696 690.0 0.120 0.104 0.128 -0.000 -0.029 0.000 3/24696 700.0 0.118 0.102 0.126 -0.000 -0.029 0.000 3/24696 710.0 0.116 0.101 0.124 -0.000 -0.028 0.000 3/24696 720.0 0.115 0.099 0.122 -0.000 -0.028 0.000 3/24696 730.0 0.113 0.098 0.121 -0.000 -0.028 0.000 3/24696 740.0 0.112 0.097 0.119 -0.000 -0.027 0.000 3/24696 750.0 0.110 0.095 0.118 -0.000 -0.027 0.000 3/24696 760.0 0.109 0.094 0.116 -0.000 -0.027 0.000 3/24696 770.0 0.107 0.093 0.114 -0.000 -0.026 0.000 3/24696 780.0 0.106 0.092 0.113 -0.000 -0.026 0.000 3/24696 790.0 0.105 0.091 0.112 -0.000 -0.026 0.000 3/24696 800.0 0.103 0.090 0.110 -0.000 -0.025 0.000 3/24696 810.0 0.102 0.088 0.109 -0.000 -0.025 0.000 3/24696 820.0 0.101 0.087 0.108 -0.000 -0.025 0.000 3/24696 830.0 0.100 0.086 0.106 -0.000 -0.024 0.000 3/24696 840.0 0.099 0.085 0.105 -0.000 -0.024 0.000 3/24696 850.0 0.097 0.084 0.104 -0.000 -0.024 0.000 3/24696 860.0 0.096 0.083 0.103 -0.000 -0.024 0.000 3/24696 870.0 0.095 0.082 0.101 -0.000 -0.023 0.000 3/24696 880.0 0.094 0.081 0.100 -0.000 -0.023 0.000 3/24696 890.0 0.093 0.080 0.099 -0.000 -0.023 0.000 3/24696 900.0 0.092 0.080 0.098 -0.000 -0.023 0.000 3/24696 910.0 0.091 0.079 0.097 -0.000 -0.022 0.000 3/24696 920.0 0.090 0.078 0.096 -0.000 -0.022 0.000 3/24696 930.0 0.089 0.077 0.095 -0.000 -0.022 0.000 3/24696 940.0 0.088 0.076 0.094 -0.000 -0.022 0.000 3/24696 950.0 0.087 0.075 0.093 -0.000 -0.021 0.000 3/24696 960.0 0.086 0.075 0.092 -0.000 -0.021 0.000 3/24696 970.0 0.085 0.074 0.091 -0.000 -0.021 0.000 3/24696 980.0 0.085 0.073 0.090 -0.000 -0.021 0.000 3/24696 990.0 0.084 0.072 0.089 -0.000 -0.021 0.000 3/24696 1000.0 0.083 0.072 0.088 -0.000 -0.020 0.000 3/24696 Thermal conductivity related properties were written into "kappa-m777.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:00:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|