# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/9d11bb3f-375a-48b5-b653-abfe2fa47832/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Na3CuSnSe4 / P2_1/c (14) / materials id 623030](https://mdr.nims.go.jp/datasets/6f5c5f4f-e7b1-410c-86b9-0e14f8b7828a) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 20:24:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 16------------------------------ primitive cell ------------------------------Lattice vectors: a 6.857776628385309 0.000000000000000 0.000000000000000 b 0.000000000000000 10.135354170000001 0.000000000000000 c -6.779713251948073 0.000000000000000 12.846756125326975Atomic positions (fractional): *1 Na 0.25358374269100 0.10796096310376 0.48209515073545 22.990 *2 Na 0.18542192839271 0.63676007697902 0.62474225038294 22.990 3 Na 0.74641625730900 0.60796096310376 0.01790484926455 22.990 4 Na 0.81457807160729 0.36323992302098 0.37525774961706 22.990 *5 Na 0.60330866291893 0.12043945357957 0.12789995904424 22.990 6 Na 0.60330866291893 0.37956054642043 0.62789995904424 22.990 7 Na 0.25358374269100 0.39203903689624 0.98209515073545 22.990 8 Na 0.39669133708107 0.62043945357957 0.37210004095576 22.990 9 Na 0.18542192839271 0.86323992302098 0.12474225038294 22.990 10 Na 0.81457807160729 0.13676007697902 0.87525774961706 22.990 11 Na 0.39669133708107 0.87956054642043 0.87210004095576 22.990 12 Na 0.74641625730900 0.89203903689624 0.51790484926455 22.990 *13 Cu 0.37728892709427 0.38999949578613 0.78633654011658 63.546 14 Cu 0.62271107290573 0.88999949578613 0.71366345988342 63.546 15 Cu 0.62271107290573 0.61000050421387 0.21366345988342 63.546 16 Cu 0.37728892709427 0.11000050421387 0.28633654011658 63.546 *17 Sn 0.10925003747704 0.13748102633193 0.69397666162409 118.710 18 Sn 0.10925003747704 0.36251897366807 0.19397666162409 118.710 19 Sn 0.89074996252296 0.63748102633193 0.80602333837591 118.710 20 Sn 0.89074996252296 0.86251897366807 0.30602333837591 118.710 *21 Se 0.85657630109341 0.84090593863089 0.90110487830863 78.960 *22 Se 0.76583043704826 0.07250936551574 0.35996793976331 78.960 *23 Se 0.71421881028426 0.09775258548982 0.65931303092518 78.960 *24 Se 0.38653603335890 0.31881872712136 0.38398658058917 78.960 25 Se 0.76583043704826 0.42749063448426 0.85996793976331 78.960 26 Se 0.14342369890659 0.34090593863089 0.59889512169137 78.960 27 Se 0.28578118971574 0.90224741451018 0.34068696907482 78.960 28 Se 0.23416956295174 0.92749063448426 0.64003206023669 78.960 29 Se 0.61346396664110 0.68118127287864 0.61601341941083 78.960 30 Se 0.23416956295174 0.57250936551574 0.14003206023669 78.960 31 Se 0.71421881028426 0.40224741451018 0.15931303092518 78.960 32 Se 0.28578118971574 0.59775258548982 0.84068696907482 78.960 33 Se 0.85657630109341 0.65909406136911 0.40110487830863 78.960 34 Se 0.61346396664110 0.81881872712136 0.11601341941083 78.960 35 Se 0.14342369890659 0.15909406136911 0.09889512169137 78.960 36 Se 0.38653603335890 0.18118127287864 0.88398658058917 78.960-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.857776628385309 0.000000000000000 0.000000000000000 b 0.000000000000000 10.135354170000001 0.000000000000000 c -6.779713251948073 0.000000000000000 12.846756125326975Atomic positions (fractional): *1 Na 0.25358374269100 0.10796096310376 0.48209515073545 22.990 > 1 *2 Na 0.18542192839271 0.63676007697902 0.62474225038294 22.990 > 2 3 Na 0.74641625730900 0.60796096310376 0.01790484926455 22.990 > 3 4 Na 0.81457807160729 0.36323992302098 0.37525774961706 22.990 > 4 *5 Na 0.60330866291893 0.12043945357957 0.12789995904424 22.990 > 5 6 Na 0.60330866291893 0.37956054642043 0.62789995904424 22.990 > 6 7 Na 0.25358374269100 0.39203903689624 0.98209515073545 22.990 > 7 8 Na 0.39669133708107 0.62043945357957 0.37210004095576 22.990 > 8 9 Na 0.18542192839271 0.86323992302098 0.12474225038294 22.990 > 9 10 Na 0.81457807160729 0.13676007697902 0.87525774961706 22.990 > 10 11 Na 0.39669133708107 0.87956054642043 0.87210004095576 22.990 > 11 12 Na 0.74641625730900 0.89203903689624 0.51790484926455 22.990 > 12 *13 Cu 0.37728892709427 0.38999949578613 0.78633654011658 63.546 > 13 14 Cu 0.62271107290573 0.88999949578613 0.71366345988342 63.546 > 14 15 Cu 0.62271107290573 0.61000050421387 0.21366345988342 63.546 > 15 16 Cu 0.37728892709427 0.11000050421387 0.28633654011658 63.546 > 16 *17 Sn 0.10925003747704 0.13748102633193 0.69397666162409 118.710 > 17 18 Sn 0.10925003747704 0.36251897366807 0.19397666162409 118.710 > 18 19 Sn 0.89074996252296 0.63748102633193 0.80602333837591 118.710 > 19 20 Sn 0.89074996252296 0.86251897366807 0.30602333837591 118.710 > 20 *21 Se 0.85657630109341 0.84090593863089 0.90110487830863 78.960 > 21 *22 Se 0.76583043704826 0.07250936551574 0.35996793976331 78.960 > 22 *23 Se 0.71421881028426 0.09775258548982 0.65931303092518 78.960 > 23 *24 Se 0.38653603335890 0.31881872712136 0.38398658058917 78.960 > 24 25 Se 0.76583043704826 0.42749063448426 0.85996793976331 78.960 > 25 26 Se 0.14342369890659 0.34090593863089 0.59889512169137 78.960 > 26 27 Se 0.28578118971574 0.90224741451018 0.34068696907482 78.960 > 27 28 Se 0.23416956295174 0.92749063448426 0.64003206023669 78.960 > 28 29 Se 0.61346396664110 0.68118127287864 0.61601341941083 78.960 > 29 30 Se 0.23416956295174 0.57250936551574 0.14003206023669 78.960 > 30 31 Se 0.71421881028426 0.40224741451018 0.15931303092518 78.960 > 31 32 Se 0.28578118971574 0.59775258548982 0.84068696907482 78.960 > 32 33 Se 0.85657630109341 0.65909406136911 0.40110487830863 78.960 > 33 34 Se 0.61346396664110 0.81881872712136 0.11601341941083 78.960 > 34 35 Se 0.14342369890659 0.15909406136911 0.09889512169137 78.960 > 35 36 Se 0.38653603335890 0.18118127287864 0.88398658058917 78.960 > 36-------------------------------- super cell --------------------------------Lattice vectors: a 13.715553256770619 0.000000000000000 0.000000000000000 b 0.000000000000000 20.270708340000002 0.000000000000000 c -6.779713251948073 0.000000000000000 12.846756125326975Atomic positions (fractional): *1 Na 0.12679187134550 0.05398048155188 0.48209515073545 22.990 > 1 2 Na 0.62679187134550 0.05398048155188 0.48209515073545 22.990 > 1 3 Na 0.12679187134550 0.55398048155188 0.48209515073545 22.990 > 1 4 Na 0.62679187134550 0.55398048155188 0.48209515073545 22.990 > 1 *5 Na 0.09271096419635 0.31838003848951 0.62474225038294 22.990 > 2 6 Na 0.59271096419635 0.31838003848951 0.62474225038294 22.990 > 2 7 Na 0.09271096419635 0.81838003848951 0.62474225038294 22.990 > 2 8 Na 0.59271096419635 0.81838003848951 0.62474225038294 22.990 > 2 9 Na 0.37320812865450 0.30398048155188 0.01790484926455 22.990 > 3 10 Na 0.87320812865450 0.30398048155188 0.01790484926455 22.990 > 3 11 Na 0.37320812865450 0.80398048155188 0.01790484926455 22.990 > 3 12 Na 0.87320812865450 0.80398048155188 0.01790484926455 22.990 > 3 13 Na 0.40728903580365 0.18161996151049 0.37525774961706 22.990 > 4 14 Na 0.90728903580365 0.18161996151049 0.37525774961706 22.990 > 4 15 Na 0.40728903580365 0.68161996151049 0.37525774961706 22.990 > 4 16 Na 0.90728903580365 0.68161996151049 0.37525774961706 22.990 > 4 *17 Na 0.30165433145946 0.06021972678979 0.12789995904424 22.990 > 5 18 Na 0.80165433145946 0.06021972678979 0.12789995904424 22.990 > 5 19 Na 0.30165433145946 0.56021972678979 0.12789995904424 22.990 > 5 20 Na 0.80165433145946 0.56021972678979 0.12789995904424 22.990 > 5 21 Na 0.30165433145946 0.18978027321021 0.62789995904424 22.990 > 6 22 Na 0.80165433145946 0.18978027321021 0.62789995904424 22.990 > 6 23 Na 0.30165433145946 0.68978027321021 0.62789995904424 22.990 > 6 24 Na 0.80165433145946 0.68978027321021 0.62789995904424 22.990 > 6 25 Na 0.12679187134550 0.19601951844812 0.98209515073545 22.990 > 7 26 Na 0.62679187134550 0.19601951844812 0.98209515073545 22.990 > 7 27 Na 0.12679187134550 0.69601951844812 0.98209515073545 22.990 > 7 28 Na 0.62679187134550 0.69601951844812 0.98209515073545 22.990 > 7 29 Na 0.19834566854054 0.31021972678979 0.37210004095576 22.990 > 8 30 Na 0.69834566854054 0.31021972678979 0.37210004095576 22.990 > 8 31 Na 0.19834566854054 0.81021972678979 0.37210004095576 22.990 > 8 32 Na 0.69834566854054 0.81021972678979 0.37210004095576 22.990 > 8 33 Na 0.09271096419635 0.43161996151049 0.12474225038294 22.990 > 9 34 Na 0.59271096419635 0.43161996151049 0.12474225038294 22.990 > 9 35 Na 0.09271096419635 0.93161996151049 0.12474225038294 22.990 > 9 36 Na 0.59271096419635 0.93161996151049 0.12474225038294 22.990 > 9 37 Na 0.40728903580365 0.06838003848951 0.87525774961706 22.990 > 10 38 Na 0.90728903580365 0.06838003848951 0.87525774961706 22.990 > 10 39 Na 0.40728903580365 0.56838003848951 0.87525774961706 22.990 > 10 40 Na 0.90728903580365 0.56838003848951 0.87525774961706 22.990 > 10 41 Na 0.19834566854054 0.43978027321021 0.87210004095576 22.990 > 11 42 Na 0.69834566854054 0.43978027321021 0.87210004095576 22.990 > 11 43 Na 0.19834566854054 0.93978027321021 0.87210004095576 22.990 > 11 44 Na 0.69834566854054 0.93978027321021 0.87210004095576 22.990 > 11 45 Na 0.37320812865450 0.44601951844812 0.51790484926455 22.990 > 12 46 Na 0.87320812865450 0.44601951844812 0.51790484926455 22.990 > 12 47 Na 0.37320812865450 0.94601951844812 0.51790484926455 22.990 > 12 48 Na 0.87320812865450 0.94601951844812 0.51790484926455 22.990 > 12 *49 Cu 0.18864446354713 0.19499974789307 0.78633654011658 63.546 > 13 50 Cu 0.68864446354713 0.19499974789307 0.78633654011658 63.546 > 13 51 Cu 0.18864446354713 0.69499974789307 0.78633654011658 63.546 > 13 52 Cu 0.68864446354713 0.69499974789307 0.78633654011658 63.546 > 13 53 Cu 0.31135553645287 0.44499974789307 0.71366345988342 63.546 > 14 54 Cu 0.81135553645287 0.44499974789307 0.71366345988342 63.546 > 14 55 Cu 0.31135553645287 0.94499974789307 0.71366345988342 63.546 > 14 56 Cu 0.81135553645287 0.94499974789307 0.71366345988342 63.546 > 14 57 Cu 0.31135553645287 0.30500025210693 0.21366345988342 63.546 > 15 58 Cu 0.81135553645287 0.30500025210693 0.21366345988342 63.546 > 15 59 Cu 0.31135553645287 0.80500025210693 0.21366345988342 63.546 > 15 60 Cu 0.81135553645287 0.80500025210693 0.21366345988342 63.546 > 15 61 Cu 0.18864446354713 0.05500025210693 0.28633654011658 63.546 > 16 62 Cu 0.68864446354713 0.05500025210693 0.28633654011658 63.546 > 16 63 Cu 0.18864446354713 0.55500025210693 0.28633654011658 63.546 > 16 64 Cu 0.68864446354713 0.55500025210693 0.28633654011658 63.546 > 16 *65 Sn 0.05462501873852 0.06874051316596 0.69397666162409 118.710 > 17 66 Sn 0.55462501873852 0.06874051316596 0.69397666162409 118.710 > 17 67 Sn 0.05462501873852 0.56874051316596 0.69397666162409 118.710 > 17 68 Sn 0.55462501873852 0.56874051316596 0.69397666162409 118.710 > 17 69 Sn 0.05462501873852 0.18125948683404 0.19397666162409 118.710 > 18 70 Sn 0.55462501873852 0.18125948683404 0.19397666162409 118.710 > 18 71 Sn 0.05462501873852 0.68125948683404 0.19397666162409 118.710 > 18 72 Sn 0.55462501873852 0.68125948683404 0.19397666162409 118.710 > 18 73 Sn 0.44537498126148 0.31874051316596 0.80602333837591 118.710 > 19 74 Sn 0.94537498126148 0.31874051316596 0.80602333837591 118.710 > 19 75 Sn 0.44537498126148 0.81874051316596 0.80602333837591 118.710 > 19 76 Sn 0.94537498126148 0.81874051316596 0.80602333837591 118.710 > 19 77 Sn 0.44537498126148 0.43125948683404 0.30602333837591 118.710 > 20 78 Sn 0.94537498126148 0.43125948683404 0.30602333837591 118.710 > 20 79 Sn 0.44537498126148 0.93125948683404 0.30602333837591 118.710 > 20 80 Sn 0.94537498126148 0.93125948683404 0.30602333837591 118.710 > 20 *81 Se 0.42828815054671 0.42045296931544 0.90110487830863 78.960 > 21 82 Se 0.92828815054671 0.42045296931544 0.90110487830863 78.960 > 21 83 Se 0.42828815054671 0.92045296931544 0.90110487830863 78.960 > 21 84 Se 0.92828815054671 0.92045296931544 0.90110487830863 78.960 > 21 *85 Se 0.38291521852413 0.03625468275787 0.35996793976331 78.960 > 22 86 Se 0.88291521852413 0.03625468275787 0.35996793976331 78.960 > 22 87 Se 0.38291521852413 0.53625468275787 0.35996793976331 78.960 > 22 88 Se 0.88291521852413 0.53625468275787 0.35996793976331 78.960 > 22 *89 Se 0.35710940514213 0.04887629274491 0.65931303092518 78.960 > 23 90 Se 0.85710940514213 0.04887629274491 0.65931303092518 78.960 > 23 91 Se 0.35710940514213 0.54887629274491 0.65931303092518 78.960 > 23 92 Se 0.85710940514213 0.54887629274491 0.65931303092518 78.960 > 23 *93 Se 0.19326801667945 0.15940936356068 0.38398658058917 78.960 > 24 94 Se 0.69326801667945 0.15940936356068 0.38398658058917 78.960 > 24 95 Se 0.19326801667945 0.65940936356068 0.38398658058917 78.960 > 24 96 Se 0.69326801667945 0.65940936356068 0.38398658058917 78.960 > 24 97 Se 0.38291521852413 0.21374531724213 0.85996793976331 78.960 > 25 98 Se 0.88291521852413 0.21374531724213 0.85996793976331 78.960 > 25 99 Se 0.38291521852413 0.71374531724213 0.85996793976331 78.960 > 25 100 Se 0.88291521852413 0.71374531724213 0.85996793976331 78.960 > 25 101 Se 0.07171184945329 0.17045296931544 0.59889512169137 78.960 > 26 102 Se 0.57171184945329 0.17045296931544 0.59889512169137 78.960 > 26 103 Se 0.07171184945329 0.67045296931544 0.59889512169137 78.960 > 26 104 Se 0.57171184945329 0.67045296931544 0.59889512169137 78.960 > 26 105 Se 0.14289059485787 0.45112370725509 0.34068696907482 78.960 > 27 106 Se 0.64289059485787 0.45112370725509 0.34068696907482 78.960 > 27 107 Se 0.14289059485787 0.95112370725509 0.34068696907482 78.960 > 27 108 Se 0.64289059485787 0.95112370725509 0.34068696907482 78.960 > 27 109 Se 0.11708478147587 0.46374531724213 0.64003206023669 78.960 > 28 110 Se 0.61708478147587 0.46374531724213 0.64003206023669 78.960 > 28 111 Se 0.11708478147587 0.96374531724213 0.64003206023669 78.960 > 28 112 Se 0.61708478147587 0.96374531724213 0.64003206023669 78.960 > 28 113 Se 0.30673198332055 0.34059063643932 0.61601341941083 78.960 > 29 114 Se 0.80673198332055 0.34059063643932 0.61601341941083 78.960 > 29 115 Se 0.30673198332055 0.84059063643932 0.61601341941083 78.960 > 29 116 Se 0.80673198332055 0.84059063643932 0.61601341941083 78.960 > 29 117 Se 0.11708478147587 0.28625468275787 0.14003206023669 78.960 > 30 118 Se 0.61708478147587 0.28625468275787 0.14003206023669 78.960 > 30 119 Se 0.11708478147587 0.78625468275787 0.14003206023669 78.960 > 30 120 Se 0.61708478147587 0.78625468275787 0.14003206023669 78.960 > 30 121 Se 0.35710940514213 0.20112370725509 0.15931303092518 78.960 > 31 122 Se 0.85710940514213 0.20112370725509 0.15931303092518 78.960 > 31 123 Se 0.35710940514213 0.70112370725509 0.15931303092518 78.960 > 31 124 Se 0.85710940514213 0.70112370725509 0.15931303092518 78.960 > 31 125 Se 0.14289059485787 0.29887629274491 0.84068696907482 78.960 > 32 126 Se 0.64289059485787 0.29887629274491 0.84068696907482 78.960 > 32 127 Se 0.14289059485787 0.79887629274491 0.84068696907482 78.960 > 32 128 Se 0.64289059485787 0.79887629274491 0.84068696907482 78.960 > 32 129 Se 0.42828815054671 0.32954703068456 0.40110487830863 78.960 > 33 130 Se 0.92828815054671 0.32954703068456 0.40110487830863 78.960 > 33 131 Se 0.42828815054671 0.82954703068456 0.40110487830863 78.960 > 33 132 Se 0.92828815054671 0.82954703068456 0.40110487830863 78.960 > 33 133 Se 0.30673198332055 0.40940936356068 0.11601341941083 78.960 > 34 134 Se 0.80673198332055 0.40940936356068 0.11601341941083 78.960 > 34 135 Se 0.30673198332055 0.90940936356068 0.11601341941083 78.960 > 34 136 Se 0.80673198332055 0.90940936356068 0.11601341941083 78.960 > 34 137 Se 0.07171184945329 0.07954703068456 0.09889512169137 78.960 > 35 138 Se 0.57171184945329 0.07954703068456 0.09889512169137 78.960 > 35 139 Se 0.07171184945329 0.57954703068456 0.09889512169137 78.960 > 35 140 Se 0.57171184945329 0.57954703068456 0.09889512169137 78.960 > 35 141 Se 0.19326801667945 0.09059063643932 0.88398658058917 78.960 > 36 142 Se 0.69326801667945 0.09059063643932 0.88398658058917 78.960 > 36 143 Se 0.19326801667945 0.59059063643932 0.88398658058917 78.960 > 36 144 Se 0.69326801667945 0.59059063643932 0.88398658058917 78.960 > 36----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 10.4003410 0.0000000 -0.4682969 0.0000000 7.7411948 0.0000000 -0.4682963 0.0000000 7.1890926-------------------------- Born effective charges -------------------------- 1 Na 1.3168944 0.0672910 0.3701198 0.1067587 0.8806083 0.1913663 -0.1276526 -0.0175551 1.3764043 2 Na 1.0494839 0.2066799 -0.2006546 0.0289163 1.5825557 -0.0940118 0.1351355 -0.0962656 1.2085521 3 Na 1.3168944 -0.0672910 0.3701198 -0.1067587 0.8806083 -0.1913663 -0.1276526 0.0175551 1.3764043 4 Na 1.0494839 0.2066799 -0.2006546 0.0289163 1.5825557 -0.0940118 0.1351355 -0.0962656 1.2085521 5 Na 1.1530961 0.2332881 -0.0949591 -0.0662323 1.2910382 -0.2722825 -0.0824729 -0.2084284 1.2849517 6 Na 1.1530961 -0.2332881 -0.0949591 0.0662323 1.2910382 0.2722825 -0.0824729 0.2084284 1.2849517 7 Na 1.3168944 -0.0672910 0.3701198 -0.1067587 0.8806083 -0.1913663 -0.1276526 0.0175551 1.3764043 8 Na 1.1530961 -0.2332881 -0.0949591 0.0662323 1.2910382 0.2722825 -0.0824729 0.2084284 1.2849517 9 Na 1.0494839 -0.2066799 -0.2006546 -0.0289163 1.5825557 0.0940118 0.1351355 0.0962656 1.2085521 10 Na 1.0494839 -0.2066799 -0.2006546 -0.0289163 1.5825557 0.0940118 0.1351355 0.0962656 1.2085521 11 Na 1.1530961 0.2332881 -0.0949591 -0.0662323 1.2910382 -0.2722825 -0.0824729 -0.2084284 1.2849517 12 Na 1.3168944 0.0672910 0.3701198 0.1067587 0.8806083 0.1913663 -0.1276526 -0.0175551 1.3764043 13 Cu 1.0853390 0.4376750 0.1510587 -0.1907149 1.1589837 0.0403970 0.0247036 0.1396210 0.9268830 14 Cu 1.0853390 -0.4376750 0.1510587 0.1907149 1.1589837 -0.0403970 0.0247036 -0.1396210 0.9268830 15 Cu 1.0853390 0.4376750 0.1510587 -0.1907149 1.1589837 0.0403970 0.0247036 0.1396210 0.9268830 16 Cu 1.0853390 -0.4376750 0.1510587 0.1907149 1.1589837 -0.0403970 0.0247036 -0.1396210 0.9268830 17 Sn 2.7921133 -0.9525994 0.0263902 0.6691349 2.7884841 0.7415886 0.2314612 0.2153029 2.3221860 18 Sn 2.7921133 0.9525994 0.0263902 -0.6691349 2.7884841 -0.7415886 0.2314612 -0.2153029 2.3221860 19 Sn 2.7921133 0.9525994 0.0263902 -0.6691349 2.7884841 -0.7415886 0.2314612 -0.2153029 2.3221860 20 Sn 2.7921133 -0.9525994 0.0263902 0.6691349 2.7884841 0.7415886 0.2314612 0.2153029 2.3221860 21 Se -1.8294527 0.3188080 0.2942208 0.5829500 -2.5372382 -0.2081182 0.1071048 -0.2643580 -2.0261994 22 Se -1.8544052 0.4202283 -0.0134744 -0.4189776 -1.9359687 -0.3348113 0.0006548 -0.2365522 -1.2689356 23 Se -1.9893930 0.8984572 -0.4847760 0.1314793 -1.3079618 -0.2049158 -0.1665352 0.1169670 -1.4189262 24 Se -1.7236757 0.0028220 -0.0479253 0.2288115 -1.9205014 0.3115035 -0.1223992 -0.1395877 -2.4049159 25 Se -1.8544052 -0.4202283 -0.0134744 0.4189776 -1.9359687 0.3348113 0.0006548 0.2365522 -1.2689356 26 Se -1.8294527 -0.3188080 0.2942208 -0.5829500 -2.5372382 0.2081182 0.1071048 0.2643580 -2.0261994 27 Se -1.9893930 0.8984572 -0.4847760 0.1314793 -1.3079618 -0.2049158 -0.1665352 0.1169670 -1.4189262 28 Se -1.8544052 0.4202283 -0.0134744 -0.4189776 -1.9359687 -0.3348113 0.0006548 -0.2365522 -1.2689356 29 Se -1.7236757 0.0028220 -0.0479253 0.2288115 -1.9205014 0.3115035 -0.1223992 -0.1395877 -2.4049159 30 Se -1.8544052 -0.4202283 -0.0134744 0.4189776 -1.9359687 0.3348113 0.0006548 0.2365522 -1.2689356 31 Se -1.9893930 -0.8984572 -0.4847760 -0.1314793 -1.3079618 0.2049158 -0.1665352 -0.1169670 -1.4189262 32 Se -1.9893930 -0.8984572 -0.4847760 -0.1314793 -1.3079618 0.2049158 -0.1665352 -0.1169670 -1.4189262 33 Se -1.8294527 -0.3188080 0.2942208 -0.5829500 -2.5372382 0.2081182 0.1071048 0.2643580 -2.0261994 34 Se -1.7236757 -0.0028220 -0.0479253 -0.2288115 -1.9205014 -0.3115035 -0.1223992 0.1395877 -2.4049159 35 Se -1.8294527 0.3188080 0.2942208 0.5829500 -2.5372382 -0.2081182 0.1071048 -0.2643580 -2.0261994 36 Se -1.7236757 -0.0028220 -0.0479253 -0.2288115 -1.9205014 -0.3115035 -0.1223992 0.1395877 -2.4049159----------------------------------------------------------------------------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: 432/432Permutation basis: 23760/23760Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 5994Number of blocks in projector: 5994Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1296Use submatrix version of eigh solver.(1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1296 / 1296(1) 280 eigenvectors found.(1) Complementary block size: 52(1) Compute compressed projector.(1) Use standard solver.(1) 34 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1296Use submatrix version of eigh solver.(1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1296 / 1296(1) 280 eigenvectors found.(1) Complementary block size: 52(1) Compute compressed projector.(1) Use standard solver.(1) 34 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1296Use submatrix version of eigh solver.(1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 483 eigenvectors found.(1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 1296 / 1296(1) 287 eigenvectors found.(1) Complementary block size: 41(1) Compute compressed projector.(1) Use standard solver.(1) 24 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 702Use submatrix version of eigh solver.(1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 702 / 702(1) 193 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 702Use submatrix version of eigh solver.(1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 702 / 702(1) 193 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 702Use submatrix version of eigh solver.(1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 702 / 702(1) 193 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.Tree of FC basis block matrices:- (5994, 5914), data: False|-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True|-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True|-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True|-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True|-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True|-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 1120 - Time: 2.011Solver_block: 200 / 1120 - Time: 1.804Solver_block: 300 / 1120 - Time: 1.792Solver_block: 400 / 1120 - Time: 1.800Solver_block: 500 / 1120 - Time: 1.799Solver_block: 600 / 1120 - Time: 1.801Solver_block: 700 / 1120 - Time: 1.796Solver_block: 800 / 1120 - Time: 1.793Solver_block: 900 / 1120 - Time: 1.795Solver_block: 1000 / 1120 - Time: 1.801Solver_block: 1100 / 1120 - Time: 1.794Solver_block: 1120 / 1120 - Time: 0.564Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.056--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432Permutation basis: 23760/23760Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 5994Number of blocks in projector: 5994Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1296Use submatrix version of eigh solver.(1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1296 / 1296(1) 280 eigenvectors found.(1) Complementary block size: 52(1) Compute compressed projector.(1) Use standard solver.(1) 34 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1296Use submatrix version of eigh solver.(1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1296 / 1296(1) 280 eigenvectors found.(1) Complementary block size: 52(1) Compute compressed projector.(1) Use standard solver.(1) 34 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1296Use submatrix version of eigh solver.(1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 483 eigenvectors found.(1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 485 eigenvectors found.(1) Block: 1296 / 1296(1) 287 eigenvectors found.(1) Complementary block size: 41(1) Compute compressed projector.(1) Use standard solver.(1) 24 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 702Use submatrix version of eigh solver.(1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 702 / 702(1) 193 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 702Use submatrix version of eigh solver.(1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 702 / 702(1) 193 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 702Use submatrix version of eigh solver.(1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found.(1) 491 eigenvectors found.(1) Block: 702 / 702(1) 193 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.Tree of FC basis block matrices:- (5994, 5914), data: False|-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True|-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True|-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True|-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True|-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True|-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 20:25:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 20:25:42]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.857776628385309 0.000000000000000 0.000000000000000 b 0.000000000000000 10.135354170000001 0.000000000000000 c -6.779713251948073 0.000000000000000 12.846756125326975Atomic positions (fractional): 1 Na 0.25358374269100 0.10796096310376 0.48209515073545 22.990 2 Na 0.18542192839271 0.63676007697902 0.62474225038294 22.990 3 Na 0.74641625730900 0.60796096310376 0.01790484926455 22.990 4 Na 0.81457807160729 0.36323992302098 0.37525774961706 22.990 5 Na 0.60330866291893 0.12043945357957 0.12789995904424 22.990 6 Na 0.60330866291893 0.37956054642043 0.62789995904424 22.990 7 Na 0.25358374269100 0.39203903689624 0.98209515073545 22.990 8 Na 0.39669133708107 0.62043945357957 0.37210004095576 22.990 9 Na 0.18542192839271 0.86323992302098 0.12474225038294 22.990 10 Na 0.81457807160729 0.13676007697902 0.87525774961706 22.990 11 Na 0.39669133708107 0.87956054642043 0.87210004095576 22.990 12 Na 0.74641625730900 0.89203903689624 0.51790484926455 22.990 13 Cu 0.37728892709427 0.38999949578613 0.78633654011658 63.546 14 Cu 0.62271107290573 0.88999949578613 0.71366345988342 63.546 15 Cu 0.62271107290573 0.61000050421387 0.21366345988342 63.546 16 Cu 0.37728892709427 0.11000050421387 0.28633654011658 63.546 17 Sn 0.10925003747704 0.13748102633193 0.69397666162409 118.710 18 Sn 0.10925003747704 0.36251897366807 0.19397666162409 118.710 19 Sn 0.89074996252296 0.63748102633193 0.80602333837591 118.710 20 Sn 0.89074996252296 0.86251897366807 0.30602333837591 118.710 21 Se 0.85657630109341 0.84090593863089 0.90110487830863 78.960 22 Se 0.76583043704826 0.07250936551574 0.35996793976331 78.960 23 Se 0.71421881028426 0.09775258548982 0.65931303092518 78.960 24 Se 0.38653603335890 0.31881872712136 0.38398658058917 78.960 25 Se 0.76583043704826 0.42749063448426 0.85996793976331 78.960 26 Se 0.14342369890659 0.34090593863089 0.59889512169137 78.960 27 Se 0.28578118971574 0.90224741451018 0.34068696907482 78.960 28 Se 0.23416956295174 0.92749063448426 0.64003206023669 78.960 29 Se 0.61346396664110 0.68118127287864 0.61601341941083 78.960 30 Se 0.23416956295174 0.57250936551574 0.14003206023669 78.960 31 Se 0.71421881028426 0.40224741451018 0.15931303092518 78.960 32 Se 0.28578118971574 0.59775258548982 0.84068696907482 78.960 33 Se 0.85657630109341 0.65909406136911 0.40110487830863 78.960 34 Se 0.61346396664110 0.81881872712136 0.11601341941083 78.960 35 Se 0.14342369890659 0.15909406136911 0.09889512169137 78.960 36 Se 0.38653603335890 0.18118127287864 0.88398658058917 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 13.715553256770619 0.000000000000000 0.000000000000000 b 0.000000000000000 20.270708340000002 0.000000000000000 c -6.779713251948073 0.000000000000000 12.846756125326975Atomic positions (fractional): 1 Na 0.12679187134550 0.05398048155188 0.48209515073545 22.990 > 1 2 Na 0.62679187134550 0.05398048155188 0.48209515073545 22.990 > 1 3 Na 0.12679187134550 0.55398048155188 0.48209515073545 22.990 > 1 4 Na 0.62679187134550 0.55398048155188 0.48209515073545 22.990 > 1 5 Na 0.09271096419635 0.31838003848951 0.62474225038294 22.990 > 5 6 Na 0.59271096419635 0.31838003848951 0.62474225038294 22.990 > 5 7 Na 0.09271096419635 0.81838003848951 0.62474225038294 22.990 > 5 8 Na 0.59271096419635 0.81838003848951 0.62474225038294 22.990 > 5 9 Na 0.37320812865450 0.30398048155188 0.01790484926455 22.990 > 9 10 Na 0.87320812865450 0.30398048155188 0.01790484926455 22.990 > 9 11 Na 0.37320812865450 0.80398048155188 0.01790484926455 22.990 > 9 12 Na 0.87320812865450 0.80398048155188 0.01790484926455 22.990 > 9 13 Na 0.40728903580365 0.18161996151049 0.37525774961706 22.990 > 13 14 Na 0.90728903580365 0.18161996151049 0.37525774961706 22.990 > 13 15 Na 0.40728903580365 0.68161996151049 0.37525774961706 22.990 > 13 16 Na 0.90728903580365 0.68161996151049 0.37525774961706 22.990 > 13 17 Na 0.30165433145946 0.06021972678979 0.12789995904424 22.990 > 17 18 Na 0.80165433145946 0.06021972678979 0.12789995904424 22.990 > 17 19 Na 0.30165433145946 0.56021972678979 0.12789995904424 22.990 > 17 20 Na 0.80165433145946 0.56021972678979 0.12789995904424 22.990 > 17 21 Na 0.30165433145946 0.18978027321021 0.62789995904424 22.990 > 21 22 Na 0.80165433145946 0.18978027321021 0.62789995904424 22.990 > 21 23 Na 0.30165433145946 0.68978027321021 0.62789995904424 22.990 > 21 24 Na 0.80165433145946 0.68978027321021 0.62789995904424 22.990 > 21 25 Na 0.12679187134550 0.19601951844812 0.98209515073545 22.990 > 25 26 Na 0.62679187134550 0.19601951844812 0.98209515073545 22.990 > 25 27 Na 0.12679187134550 0.69601951844812 0.98209515073545 22.990 > 25 28 Na 0.62679187134550 0.69601951844812 0.98209515073545 22.990 > 25 29 Na 0.19834566854054 0.31021972678979 0.37210004095576 22.990 > 29 30 Na 0.69834566854054 0.31021972678979 0.37210004095576 22.990 > 29 31 Na 0.19834566854054 0.81021972678979 0.37210004095576 22.990 > 29 32 Na 0.69834566854054 0.81021972678979 0.37210004095576 22.990 > 29 33 Na 0.09271096419635 0.43161996151049 0.12474225038294 22.990 > 33 34 Na 0.59271096419635 0.43161996151049 0.12474225038294 22.990 > 33 35 Na 0.09271096419635 0.93161996151049 0.12474225038294 22.990 > 33 36 Na 0.59271096419635 0.93161996151049 0.12474225038294 22.990 > 33 37 Na 0.40728903580365 0.06838003848951 0.87525774961706 22.990 > 37 38 Na 0.90728903580365 0.06838003848951 0.87525774961706 22.990 > 37 39 Na 0.40728903580365 0.56838003848951 0.87525774961706 22.990 > 37 40 Na 0.90728903580365 0.56838003848951 0.87525774961706 22.990 > 37 41 Na 0.19834566854054 0.43978027321021 0.87210004095576 22.990 > 41 42 Na 0.69834566854054 0.43978027321021 0.87210004095576 22.990 > 41 43 Na 0.19834566854054 0.93978027321021 0.87210004095576 22.990 > 41 44 Na 0.69834566854054 0.93978027321021 0.87210004095576 22.990 > 41 45 Na 0.37320812865450 0.44601951844812 0.51790484926455 22.990 > 45 46 Na 0.87320812865450 0.44601951844812 0.51790484926455 22.990 > 45 47 Na 0.37320812865450 0.94601951844812 0.51790484926455 22.990 > 45 48 Na 0.87320812865450 0.94601951844812 0.51790484926455 22.990 > 45 49 Cu 0.18864446354713 0.19499974789307 0.78633654011658 63.546 > 49 50 Cu 0.68864446354713 0.19499974789307 0.78633654011658 63.546 > 49 51 Cu 0.18864446354713 0.69499974789307 0.78633654011658 63.546 > 49 52 Cu 0.68864446354713 0.69499974789307 0.78633654011658 63.546 > 49 53 Cu 0.31135553645287 0.44499974789307 0.71366345988342 63.546 > 53 54 Cu 0.81135553645287 0.44499974789307 0.71366345988342 63.546 > 53 55 Cu 0.31135553645287 0.94499974789307 0.71366345988342 63.546 > 53 56 Cu 0.81135553645287 0.94499974789307 0.71366345988342 63.546 > 53 57 Cu 0.31135553645287 0.30500025210693 0.21366345988342 63.546 > 57 58 Cu 0.81135553645287 0.30500025210693 0.21366345988342 63.546 > 57 59 Cu 0.31135553645287 0.80500025210693 0.21366345988342 63.546 > 57 60 Cu 0.81135553645287 0.80500025210693 0.21366345988342 63.546 > 57 61 Cu 0.18864446354713 0.05500025210693 0.28633654011658 63.546 > 61 62 Cu 0.68864446354713 0.05500025210693 0.28633654011658 63.546 > 61 63 Cu 0.18864446354713 0.55500025210693 0.28633654011658 63.546 > 61 64 Cu 0.68864446354713 0.55500025210693 0.28633654011658 63.546 > 61 65 Sn 0.05462501873852 0.06874051316596 0.69397666162409 118.710 > 65 66 Sn 0.55462501873852 0.06874051316596 0.69397666162409 118.710 > 65 67 Sn 0.05462501873852 0.56874051316596 0.69397666162409 118.710 > 65 68 Sn 0.55462501873852 0.56874051316596 0.69397666162409 118.710 > 65 69 Sn 0.05462501873852 0.18125948683404 0.19397666162409 118.710 > 69 70 Sn 0.55462501873852 0.18125948683404 0.19397666162409 118.710 > 69 71 Sn 0.05462501873852 0.68125948683404 0.19397666162409 118.710 > 69 72 Sn 0.55462501873852 0.68125948683404 0.19397666162409 118.710 > 69 73 Sn 0.44537498126148 0.31874051316596 0.80602333837591 118.710 > 73 74 Sn 0.94537498126148 0.31874051316596 0.80602333837591 118.710 > 73 75 Sn 0.44537498126148 0.81874051316596 0.80602333837591 118.710 > 73 76 Sn 0.94537498126148 0.81874051316596 0.80602333837591 118.710 > 73 77 Sn 0.44537498126148 0.43125948683404 0.30602333837591 118.710 > 77 78 Sn 0.94537498126148 0.43125948683404 0.30602333837591 118.710 > 77 79 Sn 0.44537498126148 0.93125948683404 0.30602333837591 118.710 > 77 80 Sn 0.94537498126148 0.93125948683404 0.30602333837591 118.710 > 77 81 Se 0.42828815054671 0.42045296931544 0.90110487830863 78.960 > 81 82 Se 0.92828815054671 0.42045296931544 0.90110487830863 78.960 > 81 83 Se 0.42828815054671 0.92045296931544 0.90110487830863 78.960 > 81 84 Se 0.92828815054671 0.92045296931544 0.90110487830863 78.960 > 81 85 Se 0.38291521852413 0.03625468275787 0.35996793976331 78.960 > 85 86 Se 0.88291521852413 0.03625468275787 0.35996793976331 78.960 > 85 87 Se 0.38291521852413 0.53625468275787 0.35996793976331 78.960 > 85 88 Se 0.88291521852413 0.53625468275787 0.35996793976331 78.960 > 85 89 Se 0.35710940514213 0.04887629274491 0.65931303092518 78.960 > 89 90 Se 0.85710940514213 0.04887629274491 0.65931303092518 78.960 > 89 91 Se 0.35710940514213 0.54887629274491 0.65931303092518 78.960 > 89 92 Se 0.85710940514213 0.54887629274491 0.65931303092518 78.960 > 89 93 Se 0.19326801667945 0.15940936356068 0.38398658058917 78.960 > 93 94 Se 0.69326801667945 0.15940936356068 0.38398658058917 78.960 > 93 95 Se 0.19326801667945 0.65940936356068 0.38398658058917 78.960 > 93 96 Se 0.69326801667945 0.65940936356068 0.38398658058917 78.960 > 93 97 Se 0.38291521852413 0.21374531724213 0.85996793976331 78.960 > 97 98 Se 0.88291521852413 0.21374531724213 0.85996793976331 78.960 > 97 99 Se 0.38291521852413 0.71374531724213 0.85996793976331 78.960 > 97 100 Se 0.88291521852413 0.71374531724213 0.85996793976331 78.960 > 97 101 Se 0.07171184945329 0.17045296931544 0.59889512169137 78.960 > 101 102 Se 0.57171184945329 0.17045296931544 0.59889512169137 78.960 > 101 103 Se 0.07171184945329 0.67045296931544 0.59889512169137 78.960 > 101 104 Se 0.57171184945329 0.67045296931544 0.59889512169137 78.960 > 101 105 Se 0.14289059485787 0.45112370725509 0.34068696907482 78.960 > 105 106 Se 0.64289059485787 0.45112370725509 0.34068696907482 78.960 > 105 107 Se 0.14289059485787 0.95112370725509 0.34068696907482 78.960 > 105 108 Se 0.64289059485787 0.95112370725509 0.34068696907482 78.960 > 105 109 Se 0.11708478147587 0.46374531724213 0.64003206023669 78.960 > 109 110 Se 0.61708478147587 0.46374531724213 0.64003206023669 78.960 > 109 111 Se 0.11708478147587 0.96374531724213 0.64003206023669 78.960 > 109 112 Se 0.61708478147587 0.96374531724213 0.64003206023669 78.960 > 109 113 Se 0.30673198332055 0.34059063643932 0.61601341941083 78.960 > 113 114 Se 0.80673198332055 0.34059063643932 0.61601341941083 78.960 > 113 115 Se 0.30673198332055 0.84059063643932 0.61601341941083 78.960 > 113 116 Se 0.80673198332055 0.84059063643932 0.61601341941083 78.960 > 113 117 Se 0.11708478147587 0.28625468275787 0.14003206023669 78.960 > 117 118 Se 0.61708478147587 0.28625468275787 0.14003206023669 78.960 > 117 119 Se 0.11708478147587 0.78625468275787 0.14003206023669 78.960 > 117 120 Se 0.61708478147587 0.78625468275787 0.14003206023669 78.960 > 117 121 Se 0.35710940514213 0.20112370725509 0.15931303092518 78.960 > 121 122 Se 0.85710940514213 0.20112370725509 0.15931303092518 78.960 > 121 123 Se 0.35710940514213 0.70112370725509 0.15931303092518 78.960 > 121 124 Se 0.85710940514213 0.70112370725509 0.15931303092518 78.960 > 121 125 Se 0.14289059485787 0.29887629274491 0.84068696907482 78.960 > 125 126 Se 0.64289059485787 0.29887629274491 0.84068696907482 78.960 > 125 127 Se 0.14289059485787 0.79887629274491 0.84068696907482 78.960 > 125 128 Se 0.64289059485787 0.79887629274491 0.84068696907482 78.960 > 125 129 Se 0.42828815054671 0.32954703068456 0.40110487830863 78.960 > 129 130 Se 0.92828815054671 0.32954703068456 0.40110487830863 78.960 > 129 131 Se 0.42828815054671 0.82954703068456 0.40110487830863 78.960 > 129 132 Se 0.92828815054671 0.82954703068456 0.40110487830863 78.960 > 129 133 Se 0.30673198332055 0.40940936356068 0.11601341941083 78.960 > 133 134 Se 0.80673198332055 0.40940936356068 0.11601341941083 78.960 > 133 135 Se 0.30673198332055 0.90940936356068 0.11601341941083 78.960 > 133 136 Se 0.80673198332055 0.90940936356068 0.11601341941083 78.960 > 133 137 Se 0.07171184945329 0.07954703068456 0.09889512169137 78.960 > 137 138 Se 0.57171184945329 0.07954703068456 0.09889512169137 78.960 > 137 139 Se 0.07171184945329 0.57954703068456 0.09889512169137 78.960 > 137 140 Se 0.57171184945329 0.57954703068456 0.09889512169137 78.960 > 137 141 Se 0.19326801667945 0.09059063643932 0.88398658058917 78.960 > 141 142 Se 0.69326801667945 0.09059063643932 0.88398658058917 78.960 > 141 143 Se 0.19326801667945 0.59059063643932 0.88398658058917 78.960 > 141 144 Se 0.69326801667945 0.59059063643932 0.88398658058917 78.960 > 141----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 10.4003410 0.0000000 -0.4682969 0.0000000 7.7411948 0.0000000 -0.4682963 0.0000000 7.1890926-------------------------- Born effective charges -------------------------- 1 Na 1.3168944 0.0672910 0.3701198 0.1067587 0.8806083 0.1913663 -0.1276526 -0.0175551 1.3764043 2 Na 1.0494839 0.2066799 -0.2006546 0.0289163 1.5825557 -0.0940118 0.1351355 -0.0962656 1.2085521 3 Na 1.3168944 -0.0672910 0.3701198 -0.1067587 0.8806083 -0.1913663 -0.1276526 0.0175551 1.3764043 4 Na 1.0494839 0.2066799 -0.2006546 0.0289163 1.5825557 -0.0940118 0.1351355 -0.0962656 1.2085521 5 Na 1.1530961 0.2332881 -0.0949591 -0.0662323 1.2910382 -0.2722825 -0.0824729 -0.2084284 1.2849517 6 Na 1.1530961 -0.2332881 -0.0949591 0.0662323 1.2910382 0.2722825 -0.0824729 0.2084284 1.2849517 7 Na 1.3168944 -0.0672910 0.3701198 -0.1067587 0.8806083 -0.1913663 -0.1276526 0.0175551 1.3764043 8 Na 1.1530961 -0.2332881 -0.0949591 0.0662323 1.2910382 0.2722825 -0.0824729 0.2084284 1.2849517 9 Na 1.0494839 -0.2066799 -0.2006546 -0.0289163 1.5825557 0.0940118 0.1351355 0.0962656 1.2085521 10 Na 1.0494839 -0.2066799 -0.2006546 -0.0289163 1.5825557 0.0940118 0.1351355 0.0962656 1.2085521 11 Na 1.1530961 0.2332881 -0.0949591 -0.0662323 1.2910382 -0.2722825 -0.0824729 -0.2084284 1.2849517 12 Na 1.3168944 0.0672910 0.3701198 0.1067587 0.8806083 0.1913663 -0.1276526 -0.0175551 1.3764043 13 Cu 1.0853390 0.4376750 0.1510587 -0.1907149 1.1589837 0.0403970 0.0247036 0.1396210 0.9268830 14 Cu 1.0853390 -0.4376750 0.1510587 0.1907149 1.1589837 -0.0403970 0.0247036 -0.1396210 0.9268830 15 Cu 1.0853390 0.4376750 0.1510587 -0.1907149 1.1589837 0.0403970 0.0247036 0.1396210 0.9268830 16 Cu 1.0853390 -0.4376750 0.1510587 0.1907149 1.1589837 -0.0403970 0.0247036 -0.1396210 0.9268830 17 Sn 2.7921133 -0.9525994 0.0263902 0.6691349 2.7884841 0.7415886 0.2314612 0.2153029 2.3221860 18 Sn 2.7921133 0.9525994 0.0263902 -0.6691349 2.7884841 -0.7415886 0.2314612 -0.2153029 2.3221860 19 Sn 2.7921133 0.9525994 0.0263902 -0.6691349 2.7884841 -0.7415886 0.2314612 -0.2153029 2.3221860 20 Sn 2.7921133 -0.9525994 0.0263902 0.6691349 2.7884841 0.7415886 0.2314612 0.2153029 2.3221860 21 Se -1.8294527 0.3188080 0.2942208 0.5829500 -2.5372382 -0.2081182 0.1071048 -0.2643580 -2.0261994 22 Se -1.8544052 0.4202283 -0.0134744 -0.4189776 -1.9359687 -0.3348113 0.0006548 -0.2365522 -1.2689356 23 Se -1.9893930 0.8984572 -0.4847760 0.1314793 -1.3079618 -0.2049158 -0.1665352 0.1169670 -1.4189262 24 Se -1.7236757 0.0028220 -0.0479253 0.2288115 -1.9205014 0.3115035 -0.1223992 -0.1395877 -2.4049159 25 Se -1.8544052 -0.4202283 -0.0134744 0.4189776 -1.9359687 0.3348113 0.0006548 0.2365522 -1.2689356 26 Se -1.8294527 -0.3188080 0.2942208 -0.5829500 -2.5372382 0.2081182 0.1071048 0.2643580 -2.0261994 27 Se -1.9893930 0.8984572 -0.4847760 0.1314793 -1.3079618 -0.2049158 -0.1665352 0.1169670 -1.4189262 28 Se -1.8544052 0.4202283 -0.0134744 -0.4189776 -1.9359687 -0.3348113 0.0006548 -0.2365522 -1.2689356 29 Se -1.7236757 0.0028220 -0.0479253 0.2288115 -1.9205014 0.3115035 -0.1223992 -0.1395877 -2.4049159 30 Se -1.8544052 -0.4202283 -0.0134744 0.4189776 -1.9359687 0.3348113 0.0006548 0.2365522 -1.2689356 31 Se -1.9893930 -0.8984572 -0.4847760 -0.1314793 -1.3079618 0.2049158 -0.1665352 -0.1169670 -1.4189262 32 Se -1.9893930 -0.8984572 -0.4847760 -0.1314793 -1.3079618 0.2049158 -0.1665352 -0.1169670 -1.4189262 33 Se -1.8294527 -0.3188080 0.2942208 -0.5829500 -2.5372382 0.2081182 0.1071048 0.2643580 -2.0261994 34 Se -1.7236757 -0.0028220 -0.0479253 -0.2288115 -1.9205014 -0.3115035 -0.1223992 0.1395877 -2.4049159 35 Se -1.8294527 0.3188080 0.2942208 0.5829500 -2.5372382 -0.2081182 0.1071048 -0.2643580 -2.0261994 36 Se -1.7236757 -0.0028220 -0.0479253 -0.2288115 -1.9205014 -0.3115035 -0.1223992 0.1395877 -2.4049159----------------------------------------------------------------------------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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088]Computing fc3[ 5, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088]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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088]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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088]Computing fc3[ 85, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088]Computing fc3[ 89, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088]Computing fc3[ 93, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)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): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 20:26:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 20:26:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.857776628385309 0.000000000000000 0.000000000000000 b 0.000000000000000 10.135354170000001 0.000000000000000 c -6.779713251948073 0.000000000000000 12.846756125326975Atomic positions (fractional): 1 Na 0.25358374269100 0.10796096310376 0.48209515073545 22.990 2 Na 0.18542192839271 0.63676007697902 0.62474225038294 22.990 3 Na 0.74641625730900 0.60796096310376 0.01790484926455 22.990 4 Na 0.81457807160729 0.36323992302098 0.37525774961706 22.990 5 Na 0.60330866291893 0.12043945357957 0.12789995904424 22.990 6 Na 0.60330866291893 0.37956054642043 0.62789995904424 22.990 7 Na 0.25358374269100 0.39203903689624 0.98209515073545 22.990 8 Na 0.39669133708107 0.62043945357957 0.37210004095576 22.990 9 Na 0.18542192839271 0.86323992302098 0.12474225038294 22.990 10 Na 0.81457807160729 0.13676007697902 0.87525774961706 22.990 11 Na 0.39669133708107 0.87956054642043 0.87210004095576 22.990 12 Na 0.74641625730900 0.89203903689624 0.51790484926455 22.990 13 Cu 0.37728892709427 0.38999949578613 0.78633654011658 63.546 14 Cu 0.62271107290573 0.88999949578613 0.71366345988342 63.546 15 Cu 0.62271107290573 0.61000050421387 0.21366345988342 63.546 16 Cu 0.37728892709427 0.11000050421387 0.28633654011658 63.546 17 Sn 0.10925003747704 0.13748102633193 0.69397666162409 118.710 18 Sn 0.10925003747704 0.36251897366807 0.19397666162409 118.710 19 Sn 0.89074996252296 0.63748102633193 0.80602333837591 118.710 20 Sn 0.89074996252296 0.86251897366807 0.30602333837591 118.710 21 Se 0.85657630109341 0.84090593863089 0.90110487830863 78.960 22 Se 0.76583043704826 0.07250936551574 0.35996793976331 78.960 23 Se 0.71421881028426 0.09775258548982 0.65931303092518 78.960 24 Se 0.38653603335890 0.31881872712136 0.38398658058917 78.960 25 Se 0.76583043704826 0.42749063448426 0.85996793976331 78.960 26 Se 0.14342369890659 0.34090593863089 0.59889512169137 78.960 27 Se 0.28578118971574 0.90224741451018 0.34068696907482 78.960 28 Se 0.23416956295174 0.92749063448426 0.64003206023669 78.960 29 Se 0.61346396664110 0.68118127287864 0.61601341941083 78.960 30 Se 0.23416956295174 0.57250936551574 0.14003206023669 78.960 31 Se 0.71421881028426 0.40224741451018 0.15931303092518 78.960 32 Se 0.28578118971574 0.59775258548982 0.84068696907482 78.960 33 Se 0.85657630109341 0.65909406136911 0.40110487830863 78.960 34 Se 0.61346396664110 0.81881872712136 0.11601341941083 78.960 35 Se 0.14342369890659 0.15909406136911 0.09889512169137 78.960 36 Se 0.38653603335890 0.18118127287864 0.88398658058917 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 13.715553256770619 0.000000000000000 0.000000000000000 b 0.000000000000000 20.270708340000002 0.000000000000000 c -6.779713251948073 0.000000000000000 12.846756125326975Atomic positions (fractional): 1 Na 0.12679187134550 0.05398048155188 0.48209515073545 22.990 > 1 2 Na 0.62679187134550 0.05398048155188 0.48209515073545 22.990 > 1 3 Na 0.12679187134550 0.55398048155188 0.48209515073545 22.990 > 1 4 Na 0.62679187134550 0.55398048155188 0.48209515073545 22.990 > 1 5 Na 0.09271096419635 0.31838003848951 0.62474225038294 22.990 > 5 6 Na 0.59271096419635 0.31838003848951 0.62474225038294 22.990 > 5 7 Na 0.09271096419635 0.81838003848951 0.62474225038294 22.990 > 5 8 Na 0.59271096419635 0.81838003848951 0.62474225038294 22.990 > 5 9 Na 0.37320812865450 0.30398048155188 0.01790484926455 22.990 > 9 10 Na 0.87320812865450 0.30398048155188 0.01790484926455 22.990 > 9 11 Na 0.37320812865450 0.80398048155188 0.01790484926455 22.990 > 9 12 Na 0.87320812865450 0.80398048155188 0.01790484926455 22.990 > 9 13 Na 0.40728903580365 0.18161996151049 0.37525774961706 22.990 > 13 14 Na 0.90728903580365 0.18161996151049 0.37525774961706 22.990 > 13 15 Na 0.40728903580365 0.68161996151049 0.37525774961706 22.990 > 13 16 Na 0.90728903580365 0.68161996151049 0.37525774961706 22.990 > 13 17 Na 0.30165433145946 0.06021972678979 0.12789995904424 22.990 > 17 18 Na 0.80165433145946 0.06021972678979 0.12789995904424 22.990 > 17 19 Na 0.30165433145946 0.56021972678979 0.12789995904424 22.990 > 17 20 Na 0.80165433145946 0.56021972678979 0.12789995904424 22.990 > 17 21 Na 0.30165433145946 0.18978027321021 0.62789995904424 22.990 > 21 22 Na 0.80165433145946 0.18978027321021 0.62789995904424 22.990 > 21 23 Na 0.30165433145946 0.68978027321021 0.62789995904424 22.990 > 21 24 Na 0.80165433145946 0.68978027321021 0.62789995904424 22.990 > 21 25 Na 0.12679187134550 0.19601951844812 0.98209515073545 22.990 > 25 26 Na 0.62679187134550 0.19601951844812 0.98209515073545 22.990 > 25 27 Na 0.12679187134550 0.69601951844812 0.98209515073545 22.990 > 25 28 Na 0.62679187134550 0.69601951844812 0.98209515073545 22.990 > 25 29 Na 0.19834566854054 0.31021972678979 0.37210004095576 22.990 > 29 30 Na 0.69834566854054 0.31021972678979 0.37210004095576 22.990 > 29 31 Na 0.19834566854054 0.81021972678979 0.37210004095576 22.990 > 29 32 Na 0.69834566854054 0.81021972678979 0.37210004095576 22.990 > 29 33 Na 0.09271096419635 0.43161996151049 0.12474225038294 22.990 > 33 34 Na 0.59271096419635 0.43161996151049 0.12474225038294 22.990 > 33 35 Na 0.09271096419635 0.93161996151049 0.12474225038294 22.990 > 33 36 Na 0.59271096419635 0.93161996151049 0.12474225038294 22.990 > 33 37 Na 0.40728903580365 0.06838003848951 0.87525774961706 22.990 > 37 38 Na 0.90728903580365 0.06838003848951 0.87525774961706 22.990 > 37 39 Na 0.40728903580365 0.56838003848951 0.87525774961706 22.990 > 37 40 Na 0.90728903580365 0.56838003848951 0.87525774961706 22.990 > 37 41 Na 0.19834566854054 0.43978027321021 0.87210004095576 22.990 > 41 42 Na 0.69834566854054 0.43978027321021 0.87210004095576 22.990 > 41 43 Na 0.19834566854054 0.93978027321021 0.87210004095576 22.990 > 41 44 Na 0.69834566854054 0.93978027321021 0.87210004095576 22.990 > 41 45 Na 0.37320812865450 0.44601951844812 0.51790484926455 22.990 > 45 46 Na 0.87320812865450 0.44601951844812 0.51790484926455 22.990 > 45 47 Na 0.37320812865450 0.94601951844812 0.51790484926455 22.990 > 45 48 Na 0.87320812865450 0.94601951844812 0.51790484926455 22.990 > 45 49 Cu 0.18864446354713 0.19499974789307 0.78633654011658 63.546 > 49 50 Cu 0.68864446354713 0.19499974789307 0.78633654011658 63.546 > 49 51 Cu 0.18864446354713 0.69499974789307 0.78633654011658 63.546 > 49 52 Cu 0.68864446354713 0.69499974789307 0.78633654011658 63.546 > 49 53 Cu 0.31135553645287 0.44499974789307 0.71366345988342 63.546 > 53 54 Cu 0.81135553645287 0.44499974789307 0.71366345988342 63.546 > 53 55 Cu 0.31135553645287 0.94499974789307 0.71366345988342 63.546 > 53 56 Cu 0.81135553645287 0.94499974789307 0.71366345988342 63.546 > 53 57 Cu 0.31135553645287 0.30500025210693 0.21366345988342 63.546 > 57 58 Cu 0.81135553645287 0.30500025210693 0.21366345988342 63.546 > 57 59 Cu 0.31135553645287 0.80500025210693 0.21366345988342 63.546 > 57 60 Cu 0.81135553645287 0.80500025210693 0.21366345988342 63.546 > 57 61 Cu 0.18864446354713 0.05500025210693 0.28633654011658 63.546 > 61 62 Cu 0.68864446354713 0.05500025210693 0.28633654011658 63.546 > 61 63 Cu 0.18864446354713 0.55500025210693 0.28633654011658 63.546 > 61 64 Cu 0.68864446354713 0.55500025210693 0.28633654011658 63.546 > 61 65 Sn 0.05462501873852 0.06874051316596 0.69397666162409 118.710 > 65 66 Sn 0.55462501873852 0.06874051316596 0.69397666162409 118.710 > 65 67 Sn 0.05462501873852 0.56874051316596 0.69397666162409 118.710 > 65 68 Sn 0.55462501873852 0.56874051316596 0.69397666162409 118.710 > 65 69 Sn 0.05462501873852 0.18125948683404 0.19397666162409 118.710 > 69 70 Sn 0.55462501873852 0.18125948683404 0.19397666162409 118.710 > 69 71 Sn 0.05462501873852 0.68125948683404 0.19397666162409 118.710 > 69 72 Sn 0.55462501873852 0.68125948683404 0.19397666162409 118.710 > 69 73 Sn 0.44537498126148 0.31874051316596 0.80602333837591 118.710 > 73 74 Sn 0.94537498126148 0.31874051316596 0.80602333837591 118.710 > 73 75 Sn 0.44537498126148 0.81874051316596 0.80602333837591 118.710 > 73 76 Sn 0.94537498126148 0.81874051316596 0.80602333837591 118.710 > 73 77 Sn 0.44537498126148 0.43125948683404 0.30602333837591 118.710 > 77 78 Sn 0.94537498126148 0.43125948683404 0.30602333837591 118.710 > 77 79 Sn 0.44537498126148 0.93125948683404 0.30602333837591 118.710 > 77 80 Sn 0.94537498126148 0.93125948683404 0.30602333837591 118.710 > 77 81 Se 0.42828815054671 0.42045296931544 0.90110487830863 78.960 > 81 82 Se 0.92828815054671 0.42045296931544 0.90110487830863 78.960 > 81 83 Se 0.42828815054671 0.92045296931544 0.90110487830863 78.960 > 81 84 Se 0.92828815054671 0.92045296931544 0.90110487830863 78.960 > 81 85 Se 0.38291521852413 0.03625468275787 0.35996793976331 78.960 > 85 86 Se 0.88291521852413 0.03625468275787 0.35996793976331 78.960 > 85 87 Se 0.38291521852413 0.53625468275787 0.35996793976331 78.960 > 85 88 Se 0.88291521852413 0.53625468275787 0.35996793976331 78.960 > 85 89 Se 0.35710940514213 0.04887629274491 0.65931303092518 78.960 > 89 90 Se 0.85710940514213 0.04887629274491 0.65931303092518 78.960 > 89 91 Se 0.35710940514213 0.54887629274491 0.65931303092518 78.960 > 89 92 Se 0.85710940514213 0.54887629274491 0.65931303092518 78.960 > 89 93 Se 0.19326801667945 0.15940936356068 0.38398658058917 78.960 > 93 94 Se 0.69326801667945 0.15940936356068 0.38398658058917 78.960 > 93 95 Se 0.19326801667945 0.65940936356068 0.38398658058917 78.960 > 93 96 Se 0.69326801667945 0.65940936356068 0.38398658058917 78.960 > 93 97 Se 0.38291521852413 0.21374531724213 0.85996793976331 78.960 > 97 98 Se 0.88291521852413 0.21374531724213 0.85996793976331 78.960 > 97 99 Se 0.38291521852413 0.71374531724213 0.85996793976331 78.960 > 97 100 Se 0.88291521852413 0.71374531724213 0.85996793976331 78.960 > 97 101 Se 0.07171184945329 0.17045296931544 0.59889512169137 78.960 > 101 102 Se 0.57171184945329 0.17045296931544 0.59889512169137 78.960 > 101 103 Se 0.07171184945329 0.67045296931544 0.59889512169137 78.960 > 101 104 Se 0.57171184945329 0.67045296931544 0.59889512169137 78.960 > 101 105 Se 0.14289059485787 0.45112370725509 0.34068696907482 78.960 > 105 106 Se 0.64289059485787 0.45112370725509 0.34068696907482 78.960 > 105 107 Se 0.14289059485787 0.95112370725509 0.34068696907482 78.960 > 105 108 Se 0.64289059485787 0.95112370725509 0.34068696907482 78.960 > 105 109 Se 0.11708478147587 0.46374531724213 0.64003206023669 78.960 > 109 110 Se 0.61708478147587 0.46374531724213 0.64003206023669 78.960 > 109 111 Se 0.11708478147587 0.96374531724213 0.64003206023669 78.960 > 109 112 Se 0.61708478147587 0.96374531724213 0.64003206023669 78.960 > 109 113 Se 0.30673198332055 0.34059063643932 0.61601341941083 78.960 > 113 114 Se 0.80673198332055 0.34059063643932 0.61601341941083 78.960 > 113 115 Se 0.30673198332055 0.84059063643932 0.61601341941083 78.960 > 113 116 Se 0.80673198332055 0.84059063643932 0.61601341941083 78.960 > 113 117 Se 0.11708478147587 0.28625468275787 0.14003206023669 78.960 > 117 118 Se 0.61708478147587 0.28625468275787 0.14003206023669 78.960 > 117 119 Se 0.11708478147587 0.78625468275787 0.14003206023669 78.960 > 117 120 Se 0.61708478147587 0.78625468275787 0.14003206023669 78.960 > 117 121 Se 0.35710940514213 0.20112370725509 0.15931303092518 78.960 > 121 122 Se 0.85710940514213 0.20112370725509 0.15931303092518 78.960 > 121 123 Se 0.35710940514213 0.70112370725509 0.15931303092518 78.960 > 121 124 Se 0.85710940514213 0.70112370725509 0.15931303092518 78.960 > 121 125 Se 0.14289059485787 0.29887629274491 0.84068696907482 78.960 > 125 126 Se 0.64289059485787 0.29887629274491 0.84068696907482 78.960 > 125 127 Se 0.14289059485787 0.79887629274491 0.84068696907482 78.960 > 125 128 Se 0.64289059485787 0.79887629274491 0.84068696907482 78.960 > 125 129 Se 0.42828815054671 0.32954703068456 0.40110487830863 78.960 > 129 130 Se 0.92828815054671 0.32954703068456 0.40110487830863 78.960 > 129 131 Se 0.42828815054671 0.82954703068456 0.40110487830863 78.960 > 129 132 Se 0.92828815054671 0.82954703068456 0.40110487830863 78.960 > 129 133 Se 0.30673198332055 0.40940936356068 0.11601341941083 78.960 > 133 134 Se 0.80673198332055 0.40940936356068 0.11601341941083 78.960 > 133 135 Se 0.30673198332055 0.90940936356068 0.11601341941083 78.960 > 133 136 Se 0.80673198332055 0.90940936356068 0.11601341941083 78.960 > 133 137 Se 0.07171184945329 0.07954703068456 0.09889512169137 78.960 > 137 138 Se 0.57171184945329 0.07954703068456 0.09889512169137 78.960 > 137 139 Se 0.07171184945329 0.57954703068456 0.09889512169137 78.960 > 137 140 Se 0.57171184945329 0.57954703068456 0.09889512169137 78.960 > 137 141 Se 0.19326801667945 0.09059063643932 0.88398658058917 78.960 > 141 142 Se 0.69326801667945 0.09059063643932 0.88398658058917 78.960 > 141 143 Se 0.19326801667945 0.59059063643932 0.88398658058917 78.960 > 141 144 Se 0.69326801667945 0.59059063643932 0.88398658058917 78.960 > 141----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 10.4003410 0.0000000 -0.4682969 0.0000000 7.7411948 0.0000000 -0.4682963 0.0000000 7.1890926-------------------------- Born effective charges -------------------------- 1 Na 1.3168944 0.0672910 0.3701198 0.1067587 0.8806083 0.1913663 -0.1276526 -0.0175551 1.3764043 2 Na 1.0494839 0.2066799 -0.2006546 0.0289163 1.5825557 -0.0940118 0.1351355 -0.0962656 1.2085521 3 Na 1.3168944 -0.0672910 0.3701198 -0.1067587 0.8806083 -0.1913663 -0.1276526 0.0175551 1.3764043 4 Na 1.0494839 0.2066799 -0.2006546 0.0289163 1.5825557 -0.0940118 0.1351355 -0.0962656 1.2085521 5 Na 1.1530961 0.2332881 -0.0949591 -0.0662323 1.2910382 -0.2722825 -0.0824729 -0.2084284 1.2849517 6 Na 1.1530961 -0.2332881 -0.0949591 0.0662323 1.2910382 0.2722825 -0.0824729 0.2084284 1.2849517 7 Na 1.3168944 -0.0672910 0.3701198 -0.1067587 0.8806083 -0.1913663 -0.1276526 0.0175551 1.3764043 8 Na 1.1530961 -0.2332881 -0.0949591 0.0662323 1.2910382 0.2722825 -0.0824729 0.2084284 1.2849517 9 Na 1.0494839 -0.2066799 -0.2006546 -0.0289163 1.5825557 0.0940118 0.1351355 0.0962656 1.2085521 10 Na 1.0494839 -0.2066799 -0.2006546 -0.0289163 1.5825557 0.0940118 0.1351355 0.0962656 1.2085521 11 Na 1.1530961 0.2332881 -0.0949591 -0.0662323 1.2910382 -0.2722825 -0.0824729 -0.2084284 1.2849517 12 Na 1.3168944 0.0672910 0.3701198 0.1067587 0.8806083 0.1913663 -0.1276526 -0.0175551 1.3764043 13 Cu 1.0853390 0.4376750 0.1510587 -0.1907149 1.1589837 0.0403970 0.0247036 0.1396210 0.9268830 14 Cu 1.0853390 -0.4376750 0.1510587 0.1907149 1.1589837 -0.0403970 0.0247036 -0.1396210 0.9268830 15 Cu 1.0853390 0.4376750 0.1510587 -0.1907149 1.1589837 0.0403970 0.0247036 0.1396210 0.9268830 16 Cu 1.0853390 -0.4376750 0.1510587 0.1907149 1.1589837 -0.0403970 0.0247036 -0.1396210 0.9268830 17 Sn 2.7921133 -0.9525994 0.0263902 0.6691349 2.7884841 0.7415886 0.2314612 0.2153029 2.3221860 18 Sn 2.7921133 0.9525994 0.0263902 -0.6691349 2.7884841 -0.7415886 0.2314612 -0.2153029 2.3221860 19 Sn 2.7921133 0.9525994 0.0263902 -0.6691349 2.7884841 -0.7415886 0.2314612 -0.2153029 2.3221860 20 Sn 2.7921133 -0.9525994 0.0263902 0.6691349 2.7884841 0.7415886 0.2314612 0.2153029 2.3221860 21 Se -1.8294527 0.3188080 0.2942208 0.5829500 -2.5372382 -0.2081182 0.1071048 -0.2643580 -2.0261994 22 Se -1.8544052 0.4202283 -0.0134744 -0.4189776 -1.9359687 -0.3348113 0.0006548 -0.2365522 -1.2689356 23 Se -1.9893930 0.8984572 -0.4847760 0.1314793 -1.3079618 -0.2049158 -0.1665352 0.1169670 -1.4189262 24 Se -1.7236757 0.0028220 -0.0479253 0.2288115 -1.9205014 0.3115035 -0.1223992 -0.1395877 -2.4049159 25 Se -1.8544052 -0.4202283 -0.0134744 0.4189776 -1.9359687 0.3348113 0.0006548 0.2365522 -1.2689356 26 Se -1.8294527 -0.3188080 0.2942208 -0.5829500 -2.5372382 0.2081182 0.1071048 0.2643580 -2.0261994 27 Se -1.9893930 0.8984572 -0.4847760 0.1314793 -1.3079618 -0.2049158 -0.1665352 0.1169670 -1.4189262 28 Se -1.8544052 0.4202283 -0.0134744 -0.4189776 -1.9359687 -0.3348113 0.0006548 -0.2365522 -1.2689356 29 Se -1.7236757 0.0028220 -0.0479253 0.2288115 -1.9205014 0.3115035 -0.1223992 -0.1395877 -2.4049159 30 Se -1.8544052 -0.4202283 -0.0134744 0.4189776 -1.9359687 0.3348113 0.0006548 0.2365522 -1.2689356 31 Se -1.9893930 -0.8984572 -0.4847760 -0.1314793 -1.3079618 0.2049158 -0.1665352 -0.1169670 -1.4189262 32 Se -1.9893930 -0.8984572 -0.4847760 -0.1314793 -1.3079618 0.2049158 -0.1665352 -0.1169670 -1.4189262 33 Se -1.8294527 -0.3188080 0.2942208 -0.5829500 -2.5372382 0.2081182 0.1071048 0.2643580 -2.0261994 34 Se -1.7236757 -0.0028220 -0.0479253 -0.2288115 -1.9205014 -0.3115035 -0.1223992 0.1395877 -2.4049159 35 Se -1.8294527 0.3188080 0.2942208 0.5829500 -2.5372382 -0.2081182 0.1071048 -0.2643580 -2.0261994 36 Se -1.7236757 -0.0028220 -0.0479253 -0.2288115 -1.9205014 -0.3115035 -0.1223992 0.1395877 -2.4049159----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 5 4 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 307, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/54) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.856 ( 0.000 0.000 0.000) 0.000 0.995 ( 0.000 0.000 0.000) 0.000 1.108 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.279 ( 0.000 0.000 0.000) 0.000 1.287 ( 0.000 0.000 0.000) 0.000 1.321 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.483 ( 0.000 0.000 0.000) 0.000 1.557 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 1.932 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.665 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.849 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.819 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.020 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.221 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/54) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.193 ( 10.771 0.000 0.237) 10.774 0.385 ( 15.711 0.000 8.272) 17.755 0.628 ( 22.779 0.000 17.488) 28.718 0.879 ( 4.465 0.000 -3.998) 5.993 0.893 ( -2.542 0.000 -9.133) 9.480 1.169 ( -1.391 0.000 -1.768) 2.249 1.172 ( -2.330 0.000 4.217) 4.818 1.223 ( -10.188 0.000 0.705) 10.213 1.253 ( -8.185 0.000 0.307) 8.191 1.329 ( -2.418 0.000 -0.527) 2.474 1.347 ( 2.345 0.000 3.433) 4.158 1.448 ( -4.618 0.000 -1.540) 4.869 1.461 ( -2.654 0.000 -2.183) 3.437 1.462 ( 2.583 0.000 -4.326) 5.039 1.606 ( -2.515 0.000 -1.183) 2.779 1.618 ( -10.615 0.000 -0.548) 10.629 1.637 ( 0.485 0.000 0.453) 0.664 1.654 ( 4.351 0.000 1.673) 4.661 1.744 ( -3.961 0.000 1.526) 4.245 1.762 ( -5.859 0.000 -4.635) 7.471 1.861 ( 3.034 0.000 -5.052) 5.893 1.870 ( -3.171 0.000 1.905) 3.699 1.894 ( -3.533 0.000 3.280) 4.821 1.905 ( -3.686 0.000 2.988) 4.745 1.978 ( 1.373 0.000 -0.469) 1.450 2.007 ( -3.077 0.000 -1.312) 3.345 2.130 ( -5.311 0.000 -2.274) 5.778 2.200 ( 1.608 0.000 1.694) 2.335 2.323 ( -2.037 0.000 -1.381) 2.461 2.358 ( -1.340 0.000 0.324) 1.379 2.429 ( -1.171 0.000 -0.518) 1.280 2.446 ( -0.995 0.000 -0.834) 1.298 2.449 ( 0.120 0.000 0.714) 0.724 2.562 ( 0.219 0.000 -0.820) 0.849 2.640 ( -2.109 0.000 -1.019) 2.342 2.671 ( -7.703 0.000 -1.747) 7.899 2.759 ( -3.776 0.000 -0.055) 3.777 2.766 ( 1.280 0.000 -1.807) 2.214 2.854 ( 1.980 0.000 -0.024) 1.980 2.909 ( -1.814 0.000 0.405) 1.859 3.079 ( -1.670 0.000 -1.352) 2.149 3.153 ( -0.831 0.000 -0.855) 1.192 3.162 ( 5.642 0.000 -1.205) 5.770 3.182 ( 0.990 0.000 0.535) 1.125 3.197 ( 5.143 0.000 0.202) 5.147 3.255 ( 5.375 0.000 -1.010) 5.469 3.314 ( 7.570 0.000 0.519) 7.588 3.327 ( 4.064 0.000 -0.539) 4.099 3.452 ( 2.340 0.000 -0.601) 2.416 3.465 ( 4.491 0.000 -3.961) 5.988 3.547 ( 1.067 0.000 -1.030) 1.483 3.560 ( 5.274 0.000 0.335) 5.284 3.564 ( 2.675 0.000 -1.010) 2.859 3.572 ( 1.132 0.000 1.814) 2.138 3.644 ( 0.718 0.000 -1.178) 1.380 3.664 ( 1.128 0.000 -1.714) 2.052 3.779 ( 1.047 0.000 -1.897) 2.167 3.822 ( 0.475 0.000 0.110) 0.488 3.986 ( 0.702 0.000 2.473) 2.570 3.996 ( 0.915 0.000 2.240) 2.420 4.028 ( 2.053 0.000 5.589) 5.955 4.090 ( 0.929 0.000 5.593) 5.669 4.199 ( 1.299 0.000 0.359) 1.347 4.205 ( 1.776 0.000 1.486) 2.316 4.251 ( -1.371 0.000 -1.047) 1.725 4.332 ( 1.482 0.000 0.855) 1.711 4.381 ( 2.680 0.000 -0.275) 2.694 4.386 ( -2.945 0.000 1.298) 3.219 4.419 ( 0.738 0.000 -1.225) 1.430 4.499 ( -1.762 0.000 -5.274) 5.561 4.635 ( -1.203 0.000 -0.354) 1.254 4.635 ( 1.003 0.000 2.523) 2.715 4.746 ( 2.991 0.000 1.463) 3.330 4.775 ( 3.747 0.000 0.161) 3.751 4.890 ( -3.591 0.000 -3.046) 4.709 4.891 ( 1.974 0.000 3.534) 4.048 4.954 ( -2.256 0.000 3.296) 3.994 5.018 ( 0.556 0.000 1.235) 1.354 5.069 ( -0.735 0.000 0.842) 1.117 5.102 ( -1.912 0.000 0.039) 1.912 5.120 ( -2.327 0.000 -2.877) 3.700 5.168 ( -2.325 0.000 -2.182) 3.188 5.230 ( 0.460 0.000 -0.833) 0.952 5.256 ( 0.898 0.000 0.360) 0.967 5.261 ( 0.596 0.000 2.402) 2.475 5.275 ( 0.547 0.000 -0.016) 0.548 5.293 ( 1.865 0.000 3.268) 3.763 5.306 ( -0.309 0.000 -0.548) 0.629 5.318 ( -0.229 0.000 0.192) 0.299 5.394 ( 2.031 0.000 1.961) 2.823 5.547 ( -1.282 0.000 -1.729) 2.152 5.643 ( -0.518 0.000 1.723) 1.799 5.695 ( -0.416 0.000 -1.724) 1.774 5.713 ( -1.289 0.000 -0.981) 1.620 5.916 ( -3.352 0.000 -0.827) 3.453 5.937 ( -2.147 0.000 0.908) 2.331 6.578 ( 0.659 0.000 0.287) 0.718 6.604 ( 1.792 0.000 0.716) 1.930 6.611 ( 0.035 0.000 4.321) 4.322 6.843 ( 2.432 0.000 0.013) 2.433 6.919 ( 2.862 0.000 -0.737) 2.955 6.937 ( 0.916 0.000 0.346) 0.979 6.979 ( -1.326 0.000 -1.408) 1.934 7.024 ( -0.079 0.000 0.943) 0.946 7.078 ( 0.047 0.000 -2.162) 2.162 7.121 ( 0.481 0.000 -0.309) 0.572 7.204 ( -0.680 0.000 -1.433) 1.586 7.209 ( -1.157 0.000 5.064) 5.194======================= Grid point 2 (3/54) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.378 ( 8.706 0.000 -1.244) 8.795 0.685 ( 3.953 0.000 4.784) 6.205 0.750 ( -1.983 0.000 -8.917) 9.135 0.920 ( 2.144 0.000 -3.744) 4.315 0.965 ( -8.436 0.000 1.444) 8.559 0.989 ( -12.050 0.000 0.517) 12.062 1.089 ( 6.332 0.000 9.325) 11.271 1.100 ( -11.916 0.000 2.714) 12.221 1.172 ( 2.150 0.000 -3.996) 4.537 1.263 ( -2.937 0.000 0.167) 2.941 1.295 ( -1.851 0.000 -0.931) 2.072 1.378 ( -2.173 0.000 0.331) 2.198 1.396 ( -8.539 0.000 -1.973) 8.764 1.526 ( -3.820 0.000 -0.973) 3.942 1.548 ( 3.588 0.000 2.962) 4.652 1.586 ( 3.906 0.000 2.761) 4.783 1.625 ( -2.266 0.000 -2.854) 3.644 1.668 ( -4.689 0.000 -1.185) 4.837 1.670 ( 2.107 0.000 1.028) 2.345 1.708 ( -0.295 0.000 2.945) 2.960 1.809 ( -5.130 0.000 -1.926) 5.479 1.831 ( -1.104 0.000 0.215) 1.125 1.870 ( 1.167 0.000 -0.386) 1.229 1.873 ( 0.167 0.000 1.014) 1.028 1.977 ( -0.638 0.000 -0.332) 0.719 2.000 ( 3.686 0.000 -4.261) 5.634 2.049 ( 0.082 0.000 -0.405) 0.414 2.204 ( -2.137 0.000 -0.762) 2.268 2.261 ( -3.728 0.000 -0.532) 3.766 2.319 ( -2.297 0.000 -0.827) 2.441 2.391 ( -0.592 0.000 0.135) 0.607 2.440 ( -1.527 0.000 1.307) 2.010 2.481 ( 1.125 0.000 1.612) 1.966 2.528 ( -2.634 0.000 0.296) 2.651 2.557 ( -2.557 0.000 0.805) 2.680 2.584 ( -2.523 0.000 -1.116) 2.759 2.695 ( -2.801 0.000 -0.466) 2.839 2.771 ( 0.070 0.000 -1.351) 1.353 2.809 ( -5.480 0.000 -4.697) 7.218 2.852 ( -2.463 0.000 -1.444) 2.855 3.097 ( 3.725 0.000 3.271) 4.958 3.152 ( 0.113 0.000 1.066) 1.072 3.195 ( -1.109 0.000 2.751) 2.966 3.232 ( 3.153 0.000 -1.834) 3.648 3.299 ( 1.478 0.000 -1.518) 2.118 3.311 ( 4.955 0.000 0.176) 4.958 3.381 ( 1.663 0.000 -2.519) 3.019 3.429 ( 3.140 0.000 -1.077) 3.320 3.495 ( 3.580 0.000 1.691) 3.960 3.503 ( 2.579 0.000 -0.558) 2.638 3.548 ( 1.155 0.000 -1.823) 2.159 3.608 ( 2.430 0.000 0.647) 2.515 3.635 ( 2.717 0.000 0.485) 2.760 3.668 ( 5.327 0.000 -3.313) 6.273 3.676 ( 4.471 0.000 1.373) 4.677 3.718 ( 4.458 0.000 0.515) 4.488 3.810 ( 2.973 0.000 -1.063) 3.158 3.848 ( 3.140 0.000 -1.205) 3.363 4.011 ( -0.095 0.000 1.411) 1.414 4.046 ( 0.812 0.000 1.780) 1.956 4.099 ( 0.483 0.000 3.086) 3.123 4.108 ( -1.382 0.000 2.549) 2.899 4.207 ( -0.184 0.000 -0.095) 0.207 4.236 ( 1.837 0.000 0.870) 2.032 4.305 ( 3.765 0.000 3.394) 5.069 4.367 ( -0.704 0.000 -2.136) 2.249 4.388 ( 1.405 0.000 2.052) 2.487 4.405 ( 2.919 0.000 0.171) 2.924 4.441 ( 3.647 0.000 -1.813) 4.073 4.451 ( 1.271 0.000 -2.441) 2.752 4.609 ( 0.639 0.000 -1.333) 1.479 4.665 ( 1.217 0.000 -0.319) 1.258 4.789 ( -3.993 0.000 -2.477) 4.699 4.823 ( 1.497 0.000 -1.623) 2.208 4.851 ( 3.677 0.000 3.036) 4.768 4.935 ( -1.557 0.000 1.501) 2.163 4.944 ( -0.518 0.000 0.990) 1.117 5.022 ( -1.611 0.000 0.801) 1.799 5.072 ( -1.648 0.000 -1.560) 2.269 5.080 ( -0.962 0.000 3.917) 4.033 5.081 ( 0.213 0.000 0.175) 0.275 5.104 ( -0.208 0.000 0.411) 0.461 5.228 ( -0.221 0.000 0.394) 0.452 5.251 ( -0.630 0.000 -0.599) 0.870 5.266 ( 0.836 0.000 -0.884) 1.217 5.281 ( -1.585 0.000 0.984) 1.866 5.293 ( 1.561 0.000 -3.558) 3.886 5.343 ( 1.911 0.000 -0.101) 1.914 5.375 ( 3.074 0.000 1.105) 3.267 5.443 ( 1.251 0.000 0.720) 1.443 5.489 ( -2.766 0.000 -0.795) 2.878 5.626 ( -2.430 0.000 0.478) 2.476 5.684 ( 0.141 0.000 -0.121) 0.186 5.685 ( -0.866 0.000 -0.444) 0.973 5.833 ( -4.117 0.000 -0.572) 4.157 5.893 ( -3.482 0.000 0.735) 3.558 6.606 ( 1.774 0.000 0.449) 1.830 6.653 ( 2.025 0.000 1.523) 2.534 6.659 ( 1.067 0.000 3.080) 3.260 6.898 ( 3.262 0.000 0.180) 3.267 6.900 ( -2.329 0.000 -4.445) 5.018 6.946 ( 1.623 0.000 -0.375) 1.666 7.006 ( 1.890 0.000 1.958) 2.721 7.039 ( 1.524 0.000 0.373) 1.569 7.051 ( -0.581 0.000 -2.014) 2.096 7.132 ( 0.953 0.000 -0.317) 1.005 7.186 ( 0.488 0.000 -1.390) 1.473 7.243 ( 0.420 0.000 2.800) 2.831======================= Grid point 3 (4/54) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.391 ( -7.450 0.000 -4.493) 8.699 0.433 ( -18.228 0.000 1.470) 18.287 0.721 ( -9.100 0.000 3.529) 9.761 0.783 ( 4.056 0.000 -3.086) 5.097 0.922 ( -6.730 0.000 1.400) 6.874 1.001 ( 4.958 0.000 -1.852) 5.293 1.051 ( 5.465 0.000 3.185) 6.325 1.119 ( -3.431 0.000 1.244) 3.649 1.184 ( 3.508 0.000 -2.353) 4.224 1.252 ( -4.343 0.000 1.115) 4.483 1.266 ( -6.224 0.000 0.893) 6.288 1.295 ( 1.552 0.000 -2.398) 2.856 1.300 ( -1.886 0.000 1.697) 2.537 1.447 ( -9.676 0.000 2.982) 10.125 1.463 ( -3.414 0.000 0.959) 3.546 1.555 ( -3.179 0.000 -3.524) 4.746 1.606 ( -0.360 0.000 -0.751) 0.833 1.633 ( -3.179 0.000 -1.823) 3.664 1.685 ( 0.438 0.000 0.325) 0.546 1.789 ( 2.947 0.000 3.932) 4.913 1.827 ( 5.841 0.000 -2.216) 6.247 1.865 ( 1.350 0.000 -0.874) 1.608 1.889 ( 2.183 0.000 -0.116) 2.186 1.961 ( 0.164 0.000 1.246) 1.257 1.981 ( 9.639 0.000 -1.640) 9.777 2.011 ( 3.110 0.000 -5.184) 6.045 2.083 ( 3.459 0.000 0.735) 3.536 2.171 ( -0.586 0.000 -0.300) 0.659 2.218 ( -0.549 0.000 3.134) 3.182 2.274 ( -2.091 0.000 -0.498) 2.150 2.360 ( -2.645 0.000 -3.317) 4.242 2.369 ( -6.988 0.000 1.616) 7.172 2.478 ( -1.191 0.000 2.411) 2.689 2.530 ( -3.011 0.000 2.482) 3.902 2.539 ( -0.660 0.000 -0.299) 0.725 2.594 ( 1.186 0.000 1.351) 1.798 2.649 ( -1.569 0.000 -0.649) 1.698 2.663 ( -2.529 0.000 -1.524) 2.953 2.734 ( -1.800 0.000 0.435) 1.852 2.820 ( -0.078 0.000 -1.339) 1.341 3.157 ( -0.024 0.000 0.188) 0.189 3.202 ( -1.415 0.000 -2.977) 3.296 3.213 ( 3.874 0.000 3.211) 5.032 3.214 ( -1.386 0.000 3.717) 3.967 3.302 ( 0.711 0.000 -3.674) 3.742 3.343 ( -0.298 0.000 -1.185) 1.222 3.397 ( 3.421 0.000 -0.473) 3.454 3.455 ( 1.084 0.000 0.368) 1.144 3.538 ( 0.942 0.000 0.164) 0.957 3.539 ( 0.333 0.000 -0.208) 0.392 3.597 ( 3.621 0.000 -0.251) 3.630 3.646 ( -0.144 0.000 -0.284) 0.318 3.679 ( 0.707 0.000 -2.036) 2.155 3.685 ( 2.640 0.000 1.083) 2.854 3.760 ( 0.758 0.000 -1.564) 1.738 3.799 ( 4.728 0.000 2.700) 5.445 3.846 ( 2.188 0.000 -0.920) 2.374 3.904 ( 3.757 0.000 -1.630) 4.095 4.007 ( -0.802 0.000 -0.944) 1.239 4.032 ( -1.172 0.000 1.037) 1.565 4.103 ( -0.665 0.000 -0.120) 0.676 4.187 ( 3.644 0.000 3.774) 5.246 4.194 ( -0.653 0.000 -0.552) 0.855 4.274 ( 1.274 0.000 1.341) 1.850 4.339 ( -0.088 0.000 -0.826) 0.831 4.409 ( -1.077 0.000 -4.105) 4.244 4.420 ( 3.937 0.000 4.209) 5.763 4.437 ( 2.742 0.000 -0.173) 2.747 4.498 ( 3.721 0.000 2.083) 4.265 4.508 ( 3.409 0.000 -0.022) 3.409 4.645 ( 2.935 0.000 1.064) 3.122 4.664 ( -1.337 0.000 -1.588) 2.076 4.731 ( 0.149 0.000 0.572) 0.591 4.791 ( -1.963 0.000 -2.520) 3.194 4.859 ( -2.678 0.000 -0.843) 2.807 4.875 ( -3.583 0.000 -1.772) 3.997 4.983 ( 1.355 0.000 -0.491) 1.441 5.006 ( 0.076 0.000 2.104) 2.105 5.034 ( -0.619 0.000 -1.201) 1.351 5.099 ( -1.147 0.000 2.579) 2.823 5.115 ( 1.279 0.000 3.030) 3.288 5.120 ( -0.317 0.000 0.957) 1.008 5.229 ( -0.714 0.000 -1.581) 1.735 5.235 ( 0.200 0.000 0.160) 0.256 5.240 ( -0.340 0.000 -4.500) 4.512 5.281 ( -1.148 0.000 0.630) 1.310 5.301 ( 2.318 0.000 2.490) 3.402 5.368 ( 1.879 0.000 -1.835) 2.626 5.425 ( 3.197 0.000 -1.962) 3.751 5.451 ( 0.097 0.000 -0.637) 0.644 5.468 ( -1.157 0.000 2.913) 3.135 5.564 ( -4.016 0.000 -0.405) 4.036 5.666 ( -1.108 0.000 -0.167) 1.121 5.699 ( 1.576 0.000 0.214) 1.591 5.776 ( -2.368 0.000 0.457) 2.412 5.834 ( -3.044 0.000 0.276) 3.057 6.641 ( 1.395 0.000 0.401) 1.452 6.700 ( 1.232 0.000 2.238) 2.555 6.702 ( 0.949 0.000 1.734) 1.976 6.814 ( -1.849 0.000 -4.711) 5.061 6.955 ( 2.394 0.000 0.425) 2.432 6.978 ( 1.274 0.000 0.994) 1.616 7.023 ( -0.625 0.000 -1.393) 1.527 7.025 ( 0.329 0.000 -0.686) 0.761 7.086 ( 1.643 0.000 1.187) 2.027 7.146 ( 0.805 0.000 -0.160) 0.821 7.193 ( 1.183 0.000 -0.779) 1.416 7.272 ( 0.479 0.000 1.268) 1.356======================= Grid point 4 (5/54) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.186 ( 0.000 0.000 0.000) 0.000 0.223 ( 0.000 0.000 0.000) 0.000 0.680 ( 0.000 0.000 0.000) 0.000 0.831 ( -0.000 0.000 0.000) 0.000 0.865 ( 0.000 0.000 0.000) 0.000 1.059 ( -0.000 0.000 0.000) 0.000 1.085 ( 0.000 0.000 0.000) 0.000 1.105 ( 0.000 0.000 0.000) 0.000 1.174 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.235 ( 0.000 0.000 0.000) 0.000 1.317 ( 0.000 0.000 -0.000) 0.000 1.348 ( -0.000 0.000 0.000) 0.000 1.371 ( 0.000 0.000 0.000) 0.000 1.379 ( -0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 -0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 -0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 -0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.093 ( -0.000 0.000 -0.000) 0.000 2.211 ( 0.000 0.000 -0.000) 0.000 2.245 ( 0.000 0.000 0.000) 0.000 2.247 ( -0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.292 ( 0.000 0.000 -0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.487 ( -0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.565 ( -0.000 0.000 -0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.657 ( -0.000 0.000 0.000) 0.000 2.750 ( -0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.243 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 -0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.318 ( -0.000 0.000 -0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.691 ( -0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.317 ( -0.000 0.000 -0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.529 ( -0.000 0.000 -0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.744 ( -0.000 0.000 -0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.814 ( -0.000 0.000 0.000) 0.000 4.981 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 -0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.180 ( -0.000 0.000 -0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 -0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 -0.000) 0.000 5.473 ( -0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 5.746 ( -0.000 0.000 0.000) 0.000 5.805 ( -0.000 0.000 0.000) 0.000 6.657 ( -0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 -0.000) 0.000 6.741 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 -0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.107 ( -0.000 0.000 0.000) 0.000 7.154 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000======================= Grid point 9 (6/54) =======================q-point: ( 0.00 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.315 ( 0.000 15.684 0.000) 15.684 0.337 ( 0.000 16.583 0.000) 16.583 0.651 ( 0.000 31.275 0.000) 31.275 0.950 ( 0.000 5.008 0.000) 5.008 1.052 ( 0.000 5.434 0.000) 5.434 1.068 ( 0.000 -0.759 0.000) 0.759 1.116 ( 0.000 -7.170 0.000) 7.170 1.302 ( 0.000 2.372 0.000) 2.372 1.341 ( 0.000 3.360 0.000) 3.360 1.371 ( 0.000 2.260 0.000) 2.260 1.397 ( 0.000 2.205 0.000) 2.205 1.434 ( 0.000 -2.234 0.000) 2.234 1.517 ( 0.000 0.660 0.000) 0.660 1.546 ( 0.000 5.528 0.000) 5.528 1.617 ( 0.000 -0.005 0.000) 0.005 1.692 ( 0.000 1.324 0.000) 1.324 1.704 ( 0.000 -1.746 0.000) 1.746 1.706 ( 0.000 3.054 0.000) 3.054 1.748 ( 0.000 1.546 0.000) 1.546 1.857 ( 0.000 -1.135 0.000) 1.135 1.862 ( 0.000 -0.467 0.000) 0.467 1.907 ( 0.000 0.089 0.000) 0.089 1.924 ( 0.000 2.514 0.000) 2.514 1.963 ( 0.000 1.831 0.000) 1.831 1.971 ( 0.000 2.906 0.000) 2.906 2.039 ( 0.000 -1.569 0.000) 1.569 2.108 ( 0.000 -2.668 0.000) 2.668 2.194 ( 0.000 -0.851 0.000) 0.851 2.357 ( 0.000 0.419 0.000) 0.419 2.391 ( 0.000 -0.274 0.000) 0.274 2.397 ( 0.000 -0.550 0.000) 0.550 2.431 ( 0.000 -2.647 0.000) 2.647 2.458 ( 0.000 0.961 0.000) 0.961 2.566 ( 0.000 -2.130 0.000) 2.130 2.650 ( 0.000 -1.587 0.000) 1.587 2.688 ( 0.000 -4.339 0.000) 4.339 2.777 ( 0.000 -2.425 0.000) 2.425 2.797 ( 0.000 -2.124 0.000) 2.124 2.801 ( 0.000 -1.712 0.000) 1.712 2.849 ( 0.000 -3.729 0.000) 3.729 3.050 ( 0.000 -1.270 0.000) 1.270 3.056 ( 0.000 -1.485 0.000) 1.485 3.115 ( 0.000 -2.706 0.000) 2.706 3.121 ( 0.000 -1.455 0.000) 1.455 3.169 ( 0.000 -1.063 0.000) 1.063 3.187 ( 0.000 -1.565 0.000) 1.565 3.197 ( 0.000 -0.394 0.000) 0.394 3.301 ( 0.000 1.048 0.000) 1.048 3.367 ( 0.000 0.919 0.000) 0.919 3.403 ( 0.000 -3.441 0.000) 3.441 3.426 ( 0.000 -0.617 0.000) 0.617 3.485 ( 0.000 -4.280 0.000) 4.280 3.527 ( 0.000 -1.772 0.000) 1.772 3.617 ( 0.000 -1.896 0.000) 1.896 3.635 ( 0.000 1.176 0.000) 1.176 3.647 ( 0.000 -2.460 0.000) 2.460 3.779 ( 0.000 -1.145 0.000) 1.145 3.798 ( 0.000 -0.684 0.000) 0.684 3.906 ( 0.000 -3.038 0.000) 3.038 3.915 ( 0.000 -4.835 0.000) 4.835 3.952 ( 0.000 -0.631 0.000) 0.631 3.953 ( 0.000 -2.728 0.000) 2.728 4.171 ( 0.000 -0.820 0.000) 0.820 4.172 ( 0.000 0.038 0.000) 0.038 4.253 ( 0.000 -1.751 0.000) 1.751 4.287 ( 0.000 -2.695 0.000) 2.695 4.345 ( 0.000 0.335 0.000) 0.335 4.363 ( 0.000 1.126 0.000) 1.126 4.507 ( 0.000 1.424 0.000) 1.424 4.522 ( 0.000 6.151 0.000) 6.151 4.639 ( 0.000 3.709 0.000) 3.709 4.704 ( 0.000 -1.871 0.000) 1.871 4.760 ( 0.000 2.846 0.000) 2.846 4.767 ( 0.000 1.278 0.000) 1.278 4.932 ( 0.000 -1.307 0.000) 1.307 4.946 ( 0.000 2.605 0.000) 2.605 5.000 ( 0.000 0.869 0.000) 0.869 5.074 ( 0.000 -2.443 0.000) 2.443 5.145 ( 0.000 1.840 0.000) 1.840 5.148 ( 0.000 -1.911 0.000) 1.911 5.179 ( 0.000 -0.599 0.000) 0.599 5.192 ( 0.000 1.345 0.000) 1.345 5.238 ( 0.000 1.927 0.000) 1.927 5.252 ( 0.000 1.446 0.000) 1.446 5.263 ( 0.000 1.433 0.000) 1.433 5.323 ( 0.000 1.324 0.000) 1.324 5.329 ( 0.000 1.594 0.000) 1.594 5.345 ( 0.000 3.291 0.000) 3.291 5.377 ( 0.000 3.128 0.000) 3.128 5.473 ( 0.000 0.841 0.000) 0.841 5.544 ( 0.000 -1.356 0.000) 1.356 5.592 ( 0.000 -1.083 0.000) 1.083 5.740 ( 0.000 5.784 0.000) 5.784 5.781 ( 0.000 4.226 0.000) 4.226 5.945 ( 0.000 -0.634 0.000) 0.634 5.952 ( 0.000 -0.420 0.000) 0.420 6.571 ( 0.000 0.203 0.000) 0.203 6.579 ( 0.000 -0.005 0.000) 0.005 6.606 ( 0.000 2.166 0.000) 2.166 6.824 ( 0.000 0.465 0.000) 0.465 6.840 ( 0.000 -3.431 0.000) 3.431 6.874 ( 0.000 -1.029 0.000) 1.029 6.972 ( 0.000 -1.060 0.000) 1.060 6.975 ( 0.000 -0.269 0.000) 0.269 7.143 ( 0.000 2.207 0.000) 2.207 7.204 ( 0.000 3.364 0.000) 3.364 7.223 ( 0.000 0.267 0.000) 0.267 7.306 ( 0.000 -0.262 0.000) 0.262======================= Grid point 10 (7/54) =======================q-point: ( 0.12 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.367 ( 5.412 12.868 0.079) 13.960 0.475 ( 10.352 10.660 7.425) 16.611 0.869 ( 1.790 6.168 -0.687) 6.459 0.915 ( 9.775 16.337 5.319) 19.767 1.022 ( 2.541 8.717 -6.770) 11.326 1.083 ( -0.140 -4.600 0.961) 4.702 1.177 ( -2.802 -3.513 3.058) 5.435 1.251 ( -5.217 3.392 2.008) 6.539 1.270 ( -10.720 0.703 -1.077) 10.797 1.328 ( -2.518 0.627 -3.175) 4.101 1.369 ( -0.036 0.291 0.849) 0.898 1.414 ( -4.257 -1.435 -0.783) 4.560 1.448 ( -0.053 2.497 -0.924) 2.663 1.542 ( 1.889 5.640 -2.175) 6.333 1.579 ( -6.942 -1.399 -0.231) 7.085 1.625 ( -5.493 -0.499 -0.057) 5.516 1.648 ( 1.208 1.572 1.696) 2.609 1.738 ( 0.492 4.132 -0.796) 4.237 1.750 ( -6.832 0.316 -1.222) 6.947 1.778 ( -3.237 3.122 -1.537) 4.753 1.828 ( -1.254 -1.668 -0.786) 2.230 1.882 ( -3.884 0.788 1.743) 4.329 1.895 ( -2.539 -0.338 1.790) 3.125 1.919 ( -0.966 1.262 -0.343) 1.626 1.996 ( 0.355 1.108 0.268) 1.194 2.005 ( -1.736 -0.052 -1.041) 2.025 2.091 ( -4.004 -3.132 0.136) 5.086 2.185 ( 0.015 -1.736 -0.215) 1.749 2.334 ( -2.769 -0.058 -1.192) 3.015 2.359 ( -0.369 -0.389 -0.781) 0.947 2.392 ( -0.827 -1.197 0.251) 1.476 2.455 ( 0.914 0.858 0.051) 1.254 2.469 ( -0.640 0.865 0.750) 1.311 2.549 ( -0.026 -1.785 -0.865) 1.984 2.618 ( -2.675 -1.911 -1.358) 3.558 2.646 ( -5.627 -1.859 -0.116) 5.927 2.719 ( -0.140 -3.837 -1.521) 4.130 2.741 ( -3.261 -1.705 -0.032) 3.680 2.828 ( 0.490 -2.850 -0.382) 2.917 2.850 ( -1.962 -4.884 0.741) 5.315 3.061 ( -1.436 -1.507 -1.182) 2.393 3.115 ( 3.825 -2.581 -1.199) 4.767 3.129 ( 1.599 -2.386 0.227) 2.881 3.158 ( 5.660 -2.215 0.147) 6.079 3.204 ( 0.614 0.498 1.011) 1.284 3.254 ( 7.043 -0.795 -0.814) 7.134 3.291 ( 6.328 -2.260 -0.241) 6.724 3.342 ( 5.134 1.339 -1.590) 5.539 3.410 ( 3.679 -3.843 -0.216) 5.324 3.444 ( 4.297 -4.077 1.022) 6.011 3.480 ( 4.872 1.480 -0.805) 5.155 3.520 ( 3.988 -2.148 -2.046) 4.970 3.552 ( 1.700 -0.645 2.704) 3.259 3.617 ( 0.902 -2.162 -1.144) 2.607 3.637 ( 2.002 -1.867 -0.682) 2.821 3.647 ( 1.135 1.199 -0.496) 1.724 3.773 ( 0.616 -1.045 -1.842) 2.206 3.798 ( 0.693 -1.911 1.251) 2.387 3.928 ( 0.475 -4.582 1.409) 4.817 3.966 ( 1.145 -3.337 1.113) 3.700 4.000 ( 2.002 -1.948 3.920) 4.814 4.025 ( 4.807 -2.733 6.358) 8.426 4.180 ( 1.124 -0.788 -0.347) 1.416 4.199 ( 0.803 -1.271 2.741) 3.126 4.216 ( -2.270 -1.085 -1.056) 2.729 4.297 ( 1.234 -2.105 0.457) 2.483 4.364 ( 1.373 -1.350 -0.608) 2.019 4.380 ( 1.185 -0.470 -0.272) 1.303 4.487 ( -0.590 5.807 -0.802) 5.892 4.524 ( 0.460 3.761 -3.181) 4.947 4.640 ( -0.138 1.284 -1.086) 1.688 4.707 ( 1.212 1.115 1.308) 2.103 4.741 ( 0.931 0.946 -0.712) 1.507 4.819 ( 1.759 1.293 2.343) 3.202 4.884 ( -1.420 1.156 -2.386) 3.007 4.966 ( -0.508 2.219 -0.837) 2.425 4.982 ( -1.598 -0.724 -1.432) 2.265 5.012 ( -2.922 -0.025 -1.097) 3.121 5.097 ( -2.354 0.935 -0.924) 2.697 5.119 ( -2.116 1.395 -0.010) 2.534 5.153 ( -1.783 2.975 -0.064) 3.469 5.199 ( -1.310 0.239 -2.115) 2.499 5.212 ( -0.283 2.586 -0.382) 2.629 5.246 ( -1.114 1.164 1.652) 2.308 5.292 ( 2.036 1.780 1.367) 3.031 5.302 ( -1.547 0.286 1.642) 2.274 5.315 ( 1.407 2.365 1.261) 3.027 5.341 ( -0.546 2.573 1.532) 3.044 5.387 ( -1.946 5.641 -0.539) 5.991 5.406 ( 1.739 1.494 1.691) 2.849 5.526 ( -0.511 -1.230 -1.006) 1.669 5.631 ( -0.058 -1.374 -1.212) 1.833 5.738 ( -0.533 4.985 -0.107) 5.014 5.778 ( -1.044 4.134 -0.247) 4.271 5.914 ( -3.359 -0.125 -0.504) 3.399 5.932 ( -1.985 -0.511 0.944) 2.257 6.579 ( 0.656 0.127 0.304) 0.735 6.599 ( 0.806 -0.748 2.327) 2.574 6.624 ( 1.639 1.995 0.656) 2.664 6.844 ( 2.101 -0.055 -0.248) 2.117 6.879 ( 1.562 -5.096 1.101) 5.442 6.905 ( 2.735 -1.268 -0.193) 3.021 6.965 ( 0.029 0.627 -0.800) 1.017 6.996 ( 1.597 -0.526 -0.375) 1.723 7.141 ( -0.251 2.031 -0.213) 2.058 7.179 ( -2.380 3.719 -0.817) 4.491 7.211 ( -0.375 1.079 -1.098) 1.584 7.244 ( -2.858 2.343 2.457) 4.438======================= Grid point 11 (8/54) =======================q-point: ( 0.25 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.479 ( 5.795 8.529 -0.967) 10.357 0.727 ( 6.202 4.731 4.298) 8.907 0.761 ( -5.856 2.716 -6.313) 9.029 0.936 ( -9.844 -1.233 1.122) 9.984 0.975 ( -13.275 1.517 0.752) 13.383 1.004 ( 0.502 1.968 -4.240) 4.701 1.090 ( -4.533 -0.814 0.648) 4.651 1.129 ( -5.185 -1.776 -3.019) 6.257 1.238 ( -3.094 5.774 1.412) 6.701 1.289 ( 3.251 5.952 4.775) 8.295 1.334 ( -1.009 0.658 -0.720) 1.404 1.394 ( -3.987 4.095 -1.049) 5.811 1.428 ( -4.244 2.912 -1.203) 5.286 1.458 ( -5.660 -3.451 -0.143) 6.630 1.557 ( 5.061 -0.511 3.570) 6.215 1.602 ( 1.470 1.138 0.430) 1.909 1.662 ( -0.328 0.088 0.646) 0.730 1.672 ( -3.675 3.004 -1.973) 5.140 1.705 ( -0.390 3.186 0.050) 3.210 1.741 ( -2.590 1.640 2.325) 3.847 1.789 ( 1.882 -2.086 -2.132) 3.526 1.823 ( -3.503 0.927 1.755) 4.027 1.855 ( -0.766 1.839 -0.410) 2.034 1.896 ( -0.340 -0.560 0.841) 1.067 1.970 ( 0.435 0.080 -1.655) 1.714 2.013 ( -2.162 -1.060 -1.236) 2.707 2.056 ( 4.368 1.124 -1.317) 4.698 2.160 ( -2.465 -3.853 -1.091) 4.702 2.278 ( -2.673 1.713 -0.587) 3.229 2.332 ( -1.544 1.128 -1.046) 2.179 2.385 ( -0.806 -0.169 0.839) 1.176 2.455 ( -0.644 0.569 0.467) 0.978 2.484 ( 1.142 0.320 1.471) 1.890 2.517 ( -4.045 -0.777 1.084) 4.259 2.540 ( -0.473 -1.587 -0.438) 1.713 2.586 ( -2.134 0.263 0.216) 2.161 2.670 ( -2.949 -1.857 -0.660) 3.547 2.722 ( -0.820 -4.519 -0.408) 4.610 2.761 ( -5.315 -4.687 -3.511) 7.908 2.809 ( -1.981 -3.802 -1.203) 4.453 3.077 ( 2.886 -1.846 2.328) 4.142 3.123 ( 0.152 -2.473 0.974) 2.662 3.193 ( 0.805 -0.509 0.228) 0.980 3.225 ( 2.282 0.296 0.028) 2.301 3.255 ( 3.776 -2.540 -0.632) 4.594 3.346 ( 3.278 1.271 -0.152) 3.519 3.354 ( 2.608 -2.514 -1.398) 3.883 3.422 ( 2.813 0.048 -0.978) 2.979 3.474 ( 3.934 -1.122 0.265) 4.099 3.521 ( 1.587 -1.304 0.923) 2.251 3.545 ( 3.977 1.107 -2.287) 4.719 3.578 ( 4.186 -1.520 0.895) 4.543 3.631 ( 3.251 -2.050 -1.161) 4.015 3.649 ( 3.948 -0.632 -1.013) 4.125 3.682 ( 3.354 0.086 0.554) 3.401 3.709 ( 4.082 -0.689 0.800) 4.217 3.801 ( 3.261 -1.060 -0.980) 3.567 3.838 ( 3.216 -1.128 0.139) 3.411 3.954 ( 1.314 -4.177 0.409) 4.397 4.008 ( 2.243 -3.337 0.580) 4.062 4.058 ( 0.231 -2.390 3.709) 4.419 4.105 ( -1.599 -0.070 0.027) 1.601 4.174 ( 1.728 -2.210 1.682) 3.271 4.206 ( 1.300 -2.694 -1.443) 3.321 4.272 ( 2.361 -2.415 4.044) 5.269 4.345 ( 2.259 -1.761 2.123) 3.565 4.365 ( -0.268 -0.972 -0.788) 1.279 4.398 ( 2.510 -2.018 -0.862) 3.334 4.480 ( 1.079 4.600 -1.005) 4.831 4.506 ( 0.843 4.494 -2.654) 5.287 4.631 ( 1.278 1.356 -0.802) 2.029 4.725 ( 0.599 3.877 0.608) 3.970 4.781 ( 0.271 -1.337 -2.204) 2.592 4.831 ( -1.736 0.798 -1.628) 2.510 4.867 ( 2.642 2.354 1.543) 3.861 4.942 ( -1.103 -0.592 0.242) 1.275 4.958 ( -0.043 0.773 0.684) 1.033 5.003 ( -0.943 -1.737 1.624) 2.558 5.067 ( -0.783 1.732 0.668) 2.015 5.099 ( -0.222 0.985 -0.052) 1.012 5.128 ( -0.909 1.876 -0.612) 2.173 5.136 ( -2.618 3.173 0.061) 4.114 5.204 ( -0.962 -0.289 0.077) 1.007 5.251 ( -0.255 -0.461 0.797) 0.955 5.285 ( -0.435 0.351 -1.092) 1.227 5.312 ( -0.856 3.187 -0.392) 3.323 5.345 ( 0.783 3.001 -0.495) 3.141 5.366 ( 2.075 1.922 0.672) 2.907 5.388 ( 1.452 2.330 0.130) 2.748 5.449 ( 1.471 0.470 0.662) 1.680 5.493 ( -1.811 0.440 -0.468) 1.922 5.601 ( -1.598 -1.265 -1.054) 2.295 5.719 ( -1.217 3.323 0.108) 3.541 5.751 ( -1.555 4.605 0.177) 4.864 5.836 ( -4.037 0.181 -0.351) 4.057 5.893 ( -3.196 -0.030 0.893) 3.319 6.604 ( 1.515 -0.088 0.389) 1.566 6.638 ( 1.129 -1.281 1.643) 2.369 6.673 ( 2.042 1.518 2.067) 3.278 6.864 ( -0.375 -2.910 -1.970) 3.534 6.904 ( 1.549 -0.994 0.521) 1.913 6.941 ( 1.590 -0.216 -0.466) 1.671 6.978 ( 2.303 0.104 -1.344) 2.669 7.026 ( 1.964 -0.572 0.144) 2.051 7.115 ( -1.721 3.315 -0.772) 3.814 7.153 ( 0.421 1.596 -0.101) 1.654 7.203 ( 0.544 1.646 -0.721) 1.878 7.250 ( 0.065 0.554 2.155) 2.226======================= Grid point 12 (9/54) =======================q-point: ( 0.38 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.463 ( -9.802 6.427 -1.594) 11.829 0.499 ( -12.812 5.658 -0.585) 14.018 0.709 ( -7.343 -0.815 3.531) 8.188 0.801 ( 2.976 1.406 -3.048) 4.485 0.912 ( -5.215 -0.751 1.463) 5.468 1.007 ( 1.741 0.322 1.461) 2.295 1.061 ( 2.720 1.083 -0.089) 2.929 1.093 ( 0.431 -2.854 -1.555) 3.278 1.151 ( -5.175 -2.770 0.761) 5.919 1.212 ( -7.150 -3.120 2.322) 8.139 1.284 ( -2.435 1.082 -1.957) 3.306 1.340 ( -0.671 7.010 -2.903) 7.617 1.393 ( -5.230 -0.564 2.509) 5.828 1.422 ( 0.857 7.322 1.319) 7.489 1.503 ( -2.625 -2.288 -5.158) 6.224 1.586 ( -3.054 7.444 -0.060) 8.046 1.629 ( -4.163 -0.144 1.205) 4.336 1.686 ( 0.138 2.320 0.620) 2.406 1.696 ( 1.863 1.224 0.738) 2.349 1.770 ( -1.025 0.983 0.919) 1.692 1.829 ( 3.264 -2.210 -1.650) 4.273 1.831 ( 4.870 0.427 -1.765) 5.197 1.914 ( 1.456 -0.025 1.504) 2.093 1.949 ( 2.651 -2.409 1.941) 4.074 1.964 ( 1.156 0.878 -3.319) 3.622 2.019 ( 7.790 0.619 0.299) 7.821 2.098 ( 1.750 -0.933 -1.351) 2.400 2.145 ( 2.596 -0.911 -1.253) 3.024 2.230 ( -2.334 1.725 1.390) 3.218 2.299 ( -1.302 1.963 0.394) 2.388 2.351 ( -2.419 -0.821 -2.418) 3.517 2.395 ( -6.146 1.791 0.264) 6.407 2.472 ( -1.740 -0.665 2.270) 2.937 2.512 ( -3.534 -1.044 1.020) 3.824 2.558 ( -0.119 0.972 0.901) 1.331 2.595 ( 1.168 -0.565 2.492) 2.810 2.615 ( -1.581 -2.488 -0.228) 2.957 2.635 ( -1.744 -2.027 -2.215) 3.472 2.696 ( -0.800 -3.166 1.625) 3.647 2.788 ( 0.040 -3.076 -0.638) 3.142 3.133 ( 0.035 -2.491 0.640) 2.573 3.153 ( 1.887 -4.125 1.164) 4.683 3.201 ( -0.405 -0.066 0.494) 0.642 3.226 ( -0.159 0.641 -1.083) 1.269 3.292 ( 1.870 -0.569 -1.771) 2.638 3.375 ( 0.243 2.878 -0.668) 2.964 3.389 ( 2.081 -1.096 0.658) 2.442 3.442 ( 0.894 -0.929 0.099) 1.294 3.523 ( 0.771 -1.496 -0.365) 1.722 3.545 ( 0.565 0.089 0.016) 0.572 3.595 ( 3.138 0.104 -1.199) 3.361 3.637 ( 1.257 -1.134 -0.882) 1.909 3.654 ( 1.522 -2.058 -1.331) 2.885 3.688 ( 1.491 -1.065 0.068) 1.833 3.765 ( 1.626 0.495 0.241) 1.717 3.786 ( 4.563 -0.572 2.299) 5.142 3.836 ( 1.749 -0.264 -0.579) 1.861 3.911 ( 3.970 0.755 -0.830) 4.126 3.972 ( 0.640 -3.111 -0.618) 3.235 4.021 ( -0.434 -1.544 0.480) 1.674 4.088 ( 1.945 -2.993 0.066) 3.570 4.119 ( 0.664 -1.448 1.383) 2.109 4.166 ( -1.471 -3.513 -2.836) 4.749 4.229 ( 1.258 -1.171 1.768) 2.466 4.337 ( 1.638 -4.659 -1.092) 5.057 4.372 ( 1.040 -1.224 1.513) 2.207 4.411 ( 1.934 -0.842 2.437) 3.224 4.455 ( 2.459 -1.160 2.181) 3.486 4.500 ( 1.831 2.629 -0.663) 3.271 4.522 ( 2.573 2.266 0.197) 3.434 4.671 ( 2.719 2.394 0.533) 3.661 4.720 ( -2.559 2.387 -1.735) 3.906 4.753 ( 1.418 2.315 -0.261) 2.727 4.784 ( -1.617 -0.660 -1.634) 2.392 4.884 ( -2.983 1.504 -2.001) 3.894 4.902 ( -0.981 3.273 -0.412) 3.442 4.975 ( 0.162 -0.937 -0.381) 1.024 5.005 ( 0.057 -0.351 1.800) 1.835 5.064 ( -1.055 2.136 -0.686) 2.479 5.097 ( 0.567 0.512 0.838) 1.134 5.125 ( 0.590 -0.211 1.362) 1.499 5.137 ( -0.243 1.734 2.998) 3.472 5.188 ( -0.362 -1.270 -0.272) 1.348 5.244 ( -0.547 -1.471 0.298) 1.598 5.257 ( -0.506 1.637 -3.530) 3.924 5.291 ( -0.529 2.330 -0.796) 2.518 5.349 ( -0.301 2.183 1.009) 2.423 5.385 ( 1.006 2.670 -1.747) 3.346 5.418 ( 1.826 -0.672 -0.754) 2.087 5.468 ( -0.464 1.471 0.357) 1.584 5.483 ( 1.127 1.443 1.433) 2.325 5.552 ( -2.856 -1.160 -0.632) 3.146 5.706 ( -0.829 3.144 0.491) 3.289 5.730 ( -0.228 2.948 -0.147) 2.961 5.780 ( -2.168 0.428 0.471) 2.259 5.841 ( -2.821 0.546 0.381) 2.898 6.632 ( 0.950 -0.673 0.312) 1.205 6.669 ( 1.026 -1.864 0.647) 2.224 6.728 ( 1.252 1.502 2.732) 3.359 6.816 ( -1.111 -0.172 -3.349) 3.532 6.938 ( 1.056 -1.091 0.495) 1.597 6.967 ( 1.030 -0.995 0.300) 1.463 6.998 ( 1.259 -0.540 -1.091) 1.751 7.048 ( 0.568 -1.522 -0.954) 1.884 7.096 ( -0.144 3.315 0.420) 3.345 7.177 ( 1.670 1.687 0.319) 2.395 7.209 ( 0.507 1.581 -0.411) 1.710 7.272 ( 0.483 -0.001 1.080) 1.183======================= Grid point 13 (10/54) =======================q-point: (-0.50 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.294 ( 0.000 10.436 0.000) 10.436 0.360 ( 0.000 9.570 0.000) 9.570 0.673 ( -0.000 -1.257 0.000) 1.257 0.852 ( -0.000 -1.845 -0.000) 1.845 0.862 ( 0.000 2.270 0.000) 2.270 1.021 ( -0.000 -2.846 0.000) 2.846 1.068 ( -0.000 -1.865 0.000) 1.865 1.085 ( 0.000 -6.648 0.000) 6.648 1.109 ( 0.000 0.864 0.000) 0.864 1.171 ( 0.000 -0.836 -0.000) 0.836 1.246 ( 0.000 -1.197 0.000) 1.197 1.326 ( -0.000 6.817 0.000) 6.817 1.346 ( 0.000 0.160 -0.000) 0.160 1.433 ( 0.000 2.267 0.000) 2.267 1.458 ( 0.000 1.347 0.000) 1.347 1.554 ( -0.000 9.127 0.000) 9.127 1.595 ( -0.000 2.083 0.000) 2.083 1.694 ( 0.000 0.931 0.000) 0.931 1.699 ( 0.000 5.171 -0.000) 5.171 1.764 ( 0.000 -3.804 -0.000) 3.804 1.840 ( -0.000 -1.211 0.000) 1.211 1.906 ( 0.000 -3.284 0.000) 3.284 1.913 ( -0.000 2.432 0.000) 2.432 1.946 ( 0.000 -0.595 0.000) 0.595 2.014 ( 0.000 -2.487 -0.000) 2.487 2.105 ( -0.000 1.071 -0.000) 1.071 2.134 ( 0.000 3.647 0.000) 3.647 2.193 ( 0.000 -0.392 0.000) 0.392 2.222 ( 0.000 -2.947 0.000) 2.947 2.283 ( -0.000 -0.803 0.000) 0.803 2.286 ( 0.000 2.224 -0.000) 2.224 2.300 ( 0.000 1.203 0.000) 1.203 2.461 ( 0.000 -1.741 -0.000) 1.741 2.466 ( -0.000 -1.624 0.000) 1.624 2.572 ( 0.000 2.117 0.000) 2.117 2.594 ( -0.000 2.187 -0.000) 2.187 2.611 ( 0.000 -2.611 -0.000) 2.611 2.628 ( 0.000 -2.138 0.000) 2.138 2.723 ( -0.000 -2.201 0.000) 2.201 2.785 ( -0.000 -2.502 0.000) 2.502 3.135 ( 0.000 -2.149 0.000) 2.149 3.152 ( 0.000 -1.340 0.000) 1.340 3.213 ( 0.000 -1.818 -0.000) 1.818 3.220 ( -0.000 -0.926 0.000) 0.926 3.302 ( 0.000 0.565 -0.000) 0.565 3.369 ( 0.000 3.976 -0.000) 3.976 3.421 ( 0.000 -2.427 0.000) 2.427 3.452 ( 0.000 -1.177 0.000) 1.177 3.519 ( 0.000 -1.843 0.000) 1.843 3.548 ( 0.000 0.080 0.000) 0.080 3.620 ( -0.000 -0.440 -0.000) 0.440 3.624 ( 0.000 0.441 0.000) 0.441 3.669 ( -0.000 -2.259 0.000) 2.259 3.710 ( 0.000 -1.769 -0.000) 1.769 3.781 ( 0.000 1.731 0.000) 1.731 3.822 ( -0.000 -1.137 0.000) 1.137 3.886 ( 0.000 0.684 0.000) 0.684 3.922 ( 0.000 -0.475 0.000) 0.475 3.991 ( -0.000 -0.114 0.000) 0.114 4.017 ( 0.000 -1.093 0.000) 1.093 4.097 ( 0.000 -1.789 0.000) 1.789 4.129 ( 0.000 -5.700 0.000) 5.700 4.141 ( -0.000 -1.805 0.000) 1.805 4.259 ( 0.000 -1.849 0.000) 1.849 4.324 ( 0.000 -2.467 0.000) 2.467 4.393 ( 0.000 -1.411 0.000) 1.411 4.469 ( 0.000 -3.890 0.000) 3.890 4.470 ( -0.000 -2.144 -0.000) 2.144 4.543 ( 0.000 4.658 0.000) 4.658 4.546 ( -0.000 3.097 -0.000) 3.097 4.687 ( 0.000 -0.257 0.000) 0.257 4.710 ( 0.000 2.657 0.000) 2.657 4.736 ( 0.000 0.147 0.000) 0.147 4.799 ( -0.000 -1.163 0.000) 1.163 4.818 ( 0.000 4.186 0.000) 4.186 4.874 ( 0.000 5.383 0.000) 5.383 4.970 ( 0.000 -0.988 0.000) 0.988 5.017 ( 0.000 -1.042 -0.000) 1.042 5.047 ( 0.000 2.106 0.000) 2.106 5.105 ( 0.000 0.088 0.000) 0.088 5.142 ( -0.000 2.241 0.000) 2.241 5.158 ( 0.000 -0.964 0.000) 0.964 5.195 ( 0.000 -0.423 0.000) 0.423 5.210 ( -0.000 2.448 -0.000) 2.448 5.247 ( -0.000 -2.147 -0.000) 2.147 5.281 ( 0.000 1.727 0.000) 1.727 5.352 ( 0.000 0.799 -0.000) 0.799 5.387 ( 0.000 1.436 -0.000) 1.436 5.430 ( 0.000 -1.123 0.000) 1.123 5.471 ( 0.000 1.930 0.000) 1.930 5.506 ( -0.000 2.045 0.000) 2.045 5.515 ( 0.000 -0.411 0.000) 0.411 5.692 ( 0.000 3.776 0.000) 3.776 5.746 ( 0.000 1.483 0.000) 1.483 5.755 ( -0.000 0.823 0.000) 0.823 5.813 ( -0.000 0.641 -0.000) 0.641 6.642 ( -0.000 -1.049 0.000) 1.049 6.683 ( 0.000 -2.330 -0.000) 2.330 6.768 ( 0.000 1.417 0.000) 1.417 6.773 ( -0.000 1.425 -0.000) 1.425 6.949 ( 0.000 -1.574 -0.000) 1.574 6.978 ( 0.000 -1.655 0.000) 1.655 7.005 ( 0.000 -0.319 0.000) 0.319 7.046 ( 0.000 -1.341 0.000) 1.341 7.099 ( -0.000 2.816 0.000) 2.816 7.201 ( -0.000 2.993 0.000) 2.993 7.208 ( 0.000 0.343 0.000) 0.343 7.283 ( 0.000 -0.047 0.000) 0.047======================= Grid point 18 (11/54) =======================q-point: ( 0.00 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( 0.000 13.992 0.000) 13.992 0.648 ( 0.000 14.748 0.000) 14.748 0.852 ( 0.000 -10.162 0.000) 10.162 0.915 ( 0.000 -12.150 0.000) 12.150 1.179 ( 0.000 19.301 0.000) 19.301 1.185 ( 0.000 7.263 0.000) 7.263 1.222 ( 0.000 9.302 0.000) 9.302 1.323 ( 0.000 -3.219 0.000) 3.219 1.343 ( 0.000 -2.420 0.000) 2.420 1.365 ( 0.000 -2.095 0.000) 2.095 1.398 ( 0.000 3.529 0.000) 3.529 1.535 ( 0.000 4.746 0.000) 4.746 1.561 ( 0.000 -4.457 0.000) 4.457 1.569 ( 0.000 3.084 0.000) 3.084 1.658 ( 0.000 -1.867 0.000) 1.867 1.659 ( 0.000 1.208 0.000) 1.208 1.681 ( 0.000 1.147 0.000) 1.147 1.735 ( 0.000 -0.732 0.000) 0.732 1.812 ( 0.000 3.438 0.000) 3.438 1.841 ( 0.000 -0.250 0.000) 0.250 1.844 ( 0.000 -0.305 0.000) 0.305 1.888 ( 0.000 -2.898 0.000) 2.898 1.978 ( 0.000 1.860 0.000) 1.860 2.000 ( 0.000 -1.437 0.000) 1.437 2.015 ( 0.000 3.595 0.000) 3.595 2.042 ( 0.000 4.089 0.000) 4.089 2.072 ( 0.000 -1.880 0.000) 1.880 2.138 ( 0.000 -4.606 0.000) 4.606 2.331 ( 0.000 -2.675 0.000) 2.675 2.336 ( 0.000 -2.171 0.000) 2.171 2.397 ( 0.000 1.321 0.000) 1.321 2.436 ( 0.000 -0.958 0.000) 0.958 2.488 ( 0.000 1.656 0.000) 1.656 2.504 ( 0.000 -1.365 0.000) 1.365 2.599 ( 0.000 -3.179 0.000) 3.179 2.605 ( 0.000 -2.625 0.000) 2.625 2.748 ( 0.000 -0.287 0.000) 0.287 2.761 ( 0.000 -0.907 0.000) 0.907 2.764 ( 0.000 -1.520 0.000) 1.520 2.776 ( 0.000 -2.805 0.000) 2.805 3.029 ( 0.000 -0.625 0.000) 0.625 3.030 ( 0.000 -0.774 0.000) 0.774 3.068 ( 0.000 -1.390 0.000) 1.390 3.077 ( 0.000 -2.094 0.000) 2.094 3.162 ( 0.000 0.116 0.000) 0.116 3.165 ( 0.000 -0.548 0.000) 0.548 3.198 ( 0.000 0.600 0.000) 0.600 3.246 ( 0.000 -4.412 0.000) 4.412 3.387 ( 0.000 2.902 0.000) 2.902 3.390 ( 0.000 -0.859 0.000) 0.859 3.407 ( 0.000 -0.156 0.000) 0.156 3.439 ( 0.000 -1.552 0.000) 1.552 3.500 ( 0.000 0.376 0.000) 0.376 3.564 ( 0.000 -4.813 0.000) 4.813 3.608 ( 0.000 1.329 0.000) 1.329 3.644 ( 0.000 -1.216 0.000) 1.216 3.764 ( 0.000 -0.420 0.000) 0.420 3.769 ( 0.000 -1.280 0.000) 1.280 3.861 ( 0.000 -0.961 0.000) 0.961 3.863 ( 0.000 -1.155 0.000) 1.155 3.909 ( 0.000 -0.672 0.000) 0.672 3.924 ( 0.000 -1.648 0.000) 1.648 4.169 ( 0.000 0.467 0.000) 0.467 4.177 ( 0.000 0.020 0.000) 0.020 4.236 ( 0.000 0.057 0.000) 0.057 4.250 ( 0.000 -1.198 0.000) 1.198 4.350 ( 0.000 0.291 0.000) 0.291 4.360 ( 0.000 -0.675 0.000) 0.675 4.574 ( 0.000 4.080 0.000) 4.080 4.628 ( 0.000 3.063 0.000) 3.063 4.654 ( 0.000 -2.233 0.000) 2.233 4.674 ( 0.000 -0.068 0.000) 0.068 4.781 ( 0.000 0.356 0.000) 0.356 4.786 ( 0.000 0.071 0.000) 0.071 4.942 ( 0.000 1.931 0.000) 1.931 4.980 ( 0.000 -0.516 0.000) 0.516 5.021 ( 0.000 0.912 0.000) 0.912 5.034 ( 0.000 -0.991 0.000) 0.991 5.099 ( 0.000 -0.930 0.000) 0.930 5.120 ( 0.000 -2.060 0.000) 2.060 5.213 ( 0.000 1.233 0.000) 1.233 5.218 ( 0.000 0.588 0.000) 0.588 5.285 ( 0.000 1.374 0.000) 1.374 5.287 ( 0.000 2.521 0.000) 2.521 5.292 ( 0.000 0.912 0.000) 0.912 5.323 ( 0.000 -1.139 0.000) 1.139 5.358 ( 0.000 2.125 0.000) 2.125 5.384 ( 0.000 0.195 0.000) 0.195 5.459 ( 0.000 3.700 0.000) 3.700 5.503 ( 0.000 0.315 0.000) 0.315 5.524 ( 0.000 0.492 0.000) 0.492 5.561 ( 0.000 -1.905 0.000) 1.905 5.853 ( 0.000 4.966 0.000) 4.966 5.869 ( 0.000 4.042 0.000) 4.042 5.922 ( 0.000 -1.998 0.000) 1.998 5.929 ( 0.000 -2.053 0.000) 2.053 6.575 ( 0.000 0.210 0.000) 0.210 6.578 ( 0.000 -0.101 0.000) 0.101 6.665 ( 0.000 3.815 0.000) 3.815 6.752 ( 0.000 -4.799 0.000) 4.799 6.836 ( 0.000 0.769 0.000) 0.769 6.854 ( 0.000 -0.989 0.000) 0.989 6.967 ( 0.000 0.140 0.000) 0.140 6.971 ( 0.000 -0.221 0.000) 0.221 7.190 ( 0.000 2.179 0.000) 2.179 7.219 ( 0.000 -0.671 0.000) 0.671 7.264 ( 0.000 2.246 0.000) 2.246 7.295 ( 0.000 -0.974 0.000) 0.974======================= Grid point 19 (12/54) =======================q-point: ( 0.12 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( 1.707 12.111 0.195) 12.233 0.718 ( 5.502 10.566 4.474) 12.725 0.857 ( 0.244 -5.017 -1.202) 5.165 0.971 ( 1.864 -8.030 2.512) 8.618 1.101 ( -6.496 3.446 -1.395) 7.484 1.190 ( -3.133 1.158 -4.566) 5.657 1.233 ( -4.668 1.076 -6.441) 8.028 1.263 ( -1.234 3.809 -0.621) 4.051 1.328 ( -2.085 3.482 -0.227) 4.065 1.360 ( 0.059 3.337 1.036) 3.494 1.366 ( -1.096 4.365 3.950) 5.988 1.440 ( -5.354 2.074 1.693) 5.986 1.530 ( -2.149 2.796 -0.806) 3.618 1.569 ( -2.050 -0.809 0.624) 2.290 1.600 ( -6.480 -0.102 0.073) 6.482 1.635 ( -0.916 1.859 1.653) 2.650 1.652 ( -0.752 0.170 -0.770) 1.089 1.728 ( -0.898 -2.860 -2.844) 4.131 1.800 ( -1.552 2.374 1.145) 3.059 1.823 ( -1.165 1.346 -0.690) 1.910 1.860 ( -4.454 2.293 0.166) 5.012 1.877 ( -1.188 0.009 1.162) 1.662 1.924 ( -3.174 -0.309 -0.759) 3.278 1.933 ( -3.209 1.880 -1.074) 3.871 2.005 ( -2.129 0.274 -0.387) 2.181 2.011 ( -0.766 1.460 0.492) 1.721 2.032 ( -2.886 -1.970 0.720) 3.567 2.113 ( -1.946 -5.721 -0.350) 6.053 2.311 ( -0.631 -0.530 -0.322) 0.884 2.334 ( 0.746 -2.190 -0.529) 2.373 2.407 ( -0.008 1.949 0.825) 2.117 2.451 ( -0.244 -2.108 -0.080) 2.123 2.491 ( -0.757 1.614 1.126) 2.108 2.515 ( 0.289 -0.547 0.254) 0.669 2.585 ( -1.966 -0.983 0.136) 2.202 2.602 ( -0.164 -2.071 -0.266) 2.095 2.671 ( -3.471 -0.031 -1.808) 3.914 2.707 ( -3.200 -2.164 -1.148) 4.030 2.749 ( -3.581 -2.640 0.177) 4.452 2.767 ( -1.237 -3.157 0.469) 3.423 3.040 ( -0.518 -0.126 -0.906) 1.051 3.066 ( 0.787 -2.382 -1.332) 2.840 3.098 ( 4.941 -0.424 -0.010) 4.959 3.112 ( 5.585 -1.775 0.400) 5.874 3.214 ( 2.750 0.325 0.217) 2.778 3.235 ( 4.604 -2.085 -0.923) 5.138 3.257 ( 6.544 1.283 1.338) 6.801 3.316 ( 6.359 -4.321 2.334) 8.035 3.365 ( 2.953 1.228 -1.878) 3.709 3.406 ( 1.672 -1.529 -1.970) 3.002 3.505 ( 7.584 1.519 -0.113) 7.735 3.513 ( 5.493 0.669 -0.543) 5.560 3.531 ( 2.219 -0.473 0.280) 2.286 3.572 ( 4.676 -3.581 -1.219) 6.014 3.605 ( -0.238 0.956 0.722) 1.221 3.644 ( 0.266 -2.008 -0.354) 2.057 3.743 ( 0.227 -0.608 -1.414) 1.555 3.761 ( 0.266 -1.739 -0.266) 1.779 3.887 ( 1.791 0.009 0.742) 1.939 3.906 ( 1.997 -1.900 0.490) 2.800 3.969 ( 2.424 -0.506 5.124) 5.691 3.985 ( 2.583 -1.829 5.352) 6.218 4.173 ( 0.232 -0.022 -0.524) 0.573 4.178 ( -0.230 -0.479 0.138) 0.549 4.229 ( 0.011 1.701 0.809) 1.884 4.265 ( 1.158 -1.659 0.571) 2.103 4.348 ( 0.108 -0.071 -0.814) 0.824 4.360 ( -0.062 -1.080 -0.574) 1.224 4.586 ( 0.390 3.917 -0.802) 4.017 4.614 ( 0.525 3.801 -3.188) 4.989 4.639 ( -0.695 -0.880 -1.198) 1.640 4.680 ( 2.744 -2.465 -0.717) 3.758 4.784 ( -0.415 2.183 1.792) 2.855 4.819 ( 1.326 -1.110 3.276) 3.705 4.911 ( -1.685 1.518 -2.164) 3.135 4.950 ( -2.638 -2.191 -1.942) 3.941 5.003 ( -0.561 0.933 -1.704) 2.022 5.007 ( -0.890 0.129 -1.382) 1.649 5.100 ( 0.325 0.510 -0.519) 0.796 5.121 ( 0.048 -0.952 -0.662) 1.161 5.191 ( -1.472 0.976 -0.647) 1.881 5.198 ( -0.924 0.065 -0.646) 1.130 5.271 ( -0.601 2.097 -1.603) 2.707 5.298 ( 0.090 -0.498 -1.168) 1.273 5.303 ( -4.134 3.130 1.312) 5.349 5.333 ( 0.602 1.817 3.068) 3.616 5.346 ( 0.393 0.005 2.194) 2.228 5.354 ( -1.165 -0.468 2.943) 3.199 5.456 ( -0.237 2.714 0.220) 2.733 5.486 ( -1.763 1.541 -0.454) 2.385 5.517 ( 1.027 2.349 -0.835) 2.697 5.590 ( 0.930 -3.074 -1.165) 3.416 5.837 ( -1.647 4.265 -0.576) 4.608 5.857 ( -1.137 3.373 -0.103) 3.561 5.902 ( -2.744 -1.357 -0.028) 3.061 5.914 ( -1.605 -1.444 1.102) 2.424 6.583 ( 0.642 0.222 0.372) 0.774 6.588 ( 0.739 -0.379 0.826) 1.171 6.681 ( 1.332 3.693 0.408) 3.947 6.768 ( 1.127 -5.036 0.230) 5.166 6.860 ( 2.149 0.805 0.292) 2.313 6.880 ( 2.339 -1.214 0.150) 2.640 6.980 ( 1.389 0.627 -0.221) 1.540 6.989 ( 1.684 -0.320 -0.202) 1.725 7.180 ( -0.851 1.705 -0.193) 1.915 7.201 ( -1.439 -0.305 -0.672) 1.617 7.253 ( -1.072 1.893 0.071) 2.176 7.270 ( -2.039 0.192 0.631) 2.143======================= Grid point 20 (13/54) =======================q-point: ( 0.25 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.658 ( 0.454 9.183 -0.151) 9.195 0.825 ( -5.752 -4.884 -0.074) 7.546 0.852 ( -8.768 5.507 -3.167) 10.827 0.889 ( 2.214 4.825 4.091) 6.702 0.957 ( -8.255 -1.707 -1.630) 8.586 1.044 ( -1.416 -4.946 -2.017) 5.526 1.068 ( -6.717 3.778 -2.690) 8.163 1.128 ( -7.224 -0.816 -1.429) 7.409 1.254 ( -6.968 0.833 -0.831) 7.067 1.307 ( -5.970 -1.762 -2.385) 6.666 1.380 ( -5.541 0.306 0.321) 5.558 1.411 ( -1.760 -1.252 -0.463) 2.209 1.505 ( -0.604 4.059 1.534) 4.381 1.553 ( -1.301 1.402 1.642) 2.521 1.584 ( 5.948 7.593 3.040) 10.113 1.617 ( -3.666 0.798 -2.151) 4.324 1.656 ( 0.615 0.067 0.207) 0.652 1.700 ( 1.683 0.690 1.117) 2.135 1.758 ( -2.909 1.294 -0.269) 3.195 1.775 ( -4.043 1.078 -0.400) 4.203 1.793 ( 1.161 1.700 -0.687) 2.170 1.830 ( -0.649 -2.284 0.564) 2.441 1.883 ( -2.098 1.750 0.783) 2.842 1.902 ( -0.577 0.371 -0.101) 0.693 1.963 ( -1.070 -0.138 -0.367) 1.139 2.010 ( 0.556 2.534 -0.908) 2.749 2.038 ( 1.597 -3.637 -1.580) 4.275 2.079 ( -0.088 -3.468 0.446) 3.498 2.324 ( 0.324 2.386 1.282) 2.728 2.351 ( 0.060 0.349 -0.835) 0.907 2.393 ( -1.902 0.999 -0.214) 2.159 2.429 ( -2.862 -2.677 1.768) 4.299 2.488 ( 0.484 0.159 0.850) 0.991 2.500 ( 0.017 -1.408 1.103) 1.789 2.540 ( -1.989 2.653 -1.122) 3.500 2.592 ( -0.825 0.032 1.161) 1.425 2.627 ( -1.937 -3.731 -0.109) 4.205 2.649 ( -2.529 -3.978 -1.826) 5.055 2.665 ( -4.192 0.481 -0.572) 4.258 2.725 ( -2.041 -4.182 -0.608) 4.693 3.047 ( 1.449 -0.477 0.473) 1.597 3.071 ( 0.705 -2.495 0.224) 2.602 3.181 ( 2.990 -0.141 -0.152) 2.997 3.200 ( 3.072 -2.079 0.116) 3.711 3.260 ( 2.165 2.253 -0.077) 3.126 3.305 ( 3.645 -2.265 0.051) 4.292 3.376 ( 4.274 2.280 0.821) 4.914 3.415 ( 2.878 -1.080 0.273) 3.086 3.449 ( 4.545 -1.239 -0.139) 4.713 3.465 ( 6.045 -3.138 -0.836) 6.862 3.560 ( 2.901 0.531 -2.302) 3.741 3.581 ( 1.406 0.011 -0.341) 1.447 3.598 ( 3.793 0.521 -0.095) 3.830 3.632 ( 0.848 -1.218 -0.174) 1.494 3.674 ( 5.081 0.084 0.395) 5.097 3.695 ( 4.956 -1.482 0.918) 5.254 3.777 ( 4.389 -0.290 -0.513) 4.428 3.800 ( 4.652 -1.996 0.051) 5.062 3.929 ( 2.543 0.757 0.064) 2.654 3.950 ( 2.916 -1.749 0.426) 3.426 4.022 ( -0.718 -0.350 1.283) 1.511 4.064 ( 0.963 -3.877 0.870) 4.089 4.154 ( 0.235 1.423 -0.553) 1.544 4.187 ( 1.092 -1.310 0.362) 1.743 4.256 ( 0.383 1.678 1.749) 2.454 4.306 ( 1.208 -2.679 1.644) 3.367 4.351 ( 0.824 -0.023 0.908) 1.226 4.363 ( 1.799 -1.201 1.183) 2.465 4.557 ( -0.309 2.561 -2.609) 3.669 4.571 ( -0.484 1.341 -4.116) 4.356 4.668 ( 2.628 2.724 0.523) 3.821 4.727 ( 1.989 -2.814 -0.677) 3.512 4.801 ( 0.098 2.765 1.213) 3.021 4.839 ( -2.407 -0.644 -1.432) 2.874 4.900 ( 2.002 0.398 2.271) 3.053 4.912 ( 1.234 -1.224 0.754) 1.894 4.978 ( -1.146 0.581 -0.821) 1.525 4.980 ( -1.030 -0.197 -0.542) 1.180 5.100 ( -0.157 1.236 0.148) 1.254 5.112 ( -0.170 0.160 -0.253) 0.344 5.157 ( -1.055 1.451 -1.551) 2.371 5.175 ( -1.420 0.170 -0.288) 1.459 5.222 ( -3.033 1.265 0.085) 3.287 5.239 ( -2.732 -0.659 0.698) 2.896 5.306 ( 0.631 2.080 -0.835) 2.329 5.343 ( -0.632 -0.714 -0.246) 0.984 5.380 ( 0.193 0.941 1.206) 1.542 5.385 ( 1.227 0.576 1.272) 1.859 5.463 ( 0.879 1.596 0.390) 1.863 5.467 ( 0.083 1.914 0.985) 2.154 5.511 ( -0.560 2.285 -1.616) 2.854 5.570 ( -1.141 -2.380 -1.939) 3.275 5.787 ( -2.668 3.009 -0.241) 4.028 5.822 ( -2.785 0.353 -0.260) 2.819 5.846 ( -2.970 2.250 0.794) 3.809 5.885 ( -2.668 -1.029 1.086) 3.059 6.605 ( 1.169 0.215 0.380) 1.248 6.615 ( 1.072 -0.865 0.804) 1.595 6.717 ( 1.637 2.938 1.371) 3.632 6.787 ( 0.674 -4.050 0.298) 4.116 6.904 ( 2.031 0.669 0.160) 2.144 6.923 ( 1.983 -1.190 -0.078) 2.314 6.997 ( 1.364 1.140 -1.866) 2.577 7.015 ( 1.548 -0.668 -1.066) 1.995 7.163 ( -0.871 1.537 0.040) 1.767 7.175 ( -0.231 0.353 0.117) 0.438 7.239 ( -0.210 1.583 0.103) 1.600 7.256 ( -0.428 -0.129 0.986) 1.083======================= Grid point 21 (14/54) =======================q-point: ( 0.38 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.581 ( -8.686 4.288 0.448) 9.697 0.606 ( -5.252 2.837 -2.106) 6.330 0.726 ( -11.545 3.779 3.892) 12.756 0.808 ( -3.280 -1.934 0.841) 3.899 0.905 ( -3.385 0.899 -2.235) 4.155 0.972 ( -0.170 -5.353 -3.523) 6.410 1.028 ( -1.758 1.890 2.062) 3.304 1.086 ( -4.149 -3.296 1.686) 5.560 1.136 ( -1.365 2.304 0.612) 2.747 1.166 ( -4.612 -1.252 2.214) 5.267 1.305 ( -2.636 1.543 -3.220) 4.438 1.355 ( -2.390 -2.774 -2.830) 4.628 1.465 ( -1.571 3.853 -2.258) 4.734 1.499 ( -2.630 0.940 -3.274) 4.303 1.585 ( -0.153 6.183 1.445) 6.351 1.616 ( -2.071 0.285 0.913) 2.281 1.661 ( -0.727 -0.733 0.576) 1.182 1.709 ( -2.104 -0.658 -0.995) 2.418 1.746 ( 2.985 5.877 0.848) 6.646 1.804 ( 1.836 0.826 -0.230) 2.026 1.815 ( 1.094 0.814 -1.719) 2.195 1.879 ( -0.859 -1.008 -1.544) 2.034 1.884 ( 4.178 0.544 2.144) 4.728 1.888 ( 1.919 -1.344 1.515) 2.790 1.982 ( 1.876 -0.290 0.258) 1.916 2.016 ( 3.366 -2.203 -0.707) 4.085 2.065 ( 3.238 1.267 0.707) 3.548 2.124 ( 3.697 -2.455 -1.110) 4.574 2.280 ( -3.356 2.621 -1.580) 4.542 2.318 ( -3.726 -1.033 -1.325) 4.087 2.350 ( -0.967 1.857 0.545) 2.164 2.400 ( -3.917 -2.056 -0.604) 4.465 2.462 ( -4.488 0.639 1.230) 4.697 2.491 ( -5.936 -1.382 0.769) 6.143 2.550 ( 1.985 -0.880 1.029) 2.403 2.559 ( 1.403 -1.960 -0.337) 2.434 2.613 ( -0.478 1.184 2.152) 2.502 2.619 ( 0.619 0.517 2.953) 3.061 2.653 ( 1.395 -0.045 1.151) 1.810 2.712 ( 0.263 -4.246 -0.045) 4.254 3.079 ( 1.228 -1.692 0.113) 2.094 3.088 ( 0.627 -2.294 0.454) 2.421 3.210 ( 0.709 0.905 0.019) 1.150 3.228 ( 0.793 -0.634 -0.987) 1.416 3.300 ( 1.931 1.701 0.279) 2.588 3.351 ( 1.265 -2.782 0.959) 3.203 3.437 ( 1.224 1.353 -0.078) 1.826 3.442 ( 0.426 2.721 0.675) 2.835 3.486 ( 0.792 -1.497 -2.467) 2.992 3.520 ( 1.751 -2.834 -1.289) 3.572 3.596 ( 2.726 -0.218 -1.948) 3.358 3.607 ( 1.417 -1.039 0.053) 1.758 3.628 ( 0.601 -0.208 -0.695) 0.942 3.648 ( 0.842 -1.902 0.455) 2.129 3.774 ( 2.764 0.233 1.252) 3.043 3.779 ( 3.681 -0.329 1.613) 4.032 3.851 ( 3.765 1.835 -0.143) 4.190 3.897 ( 4.736 -2.519 0.414) 5.380 3.962 ( 0.784 2.931 -2.376) 3.854 3.994 ( 1.445 -0.349 -0.282) 1.514 4.017 ( 1.482 -2.673 -0.036) 3.057 4.050 ( -0.144 -5.261 -2.405) 5.786 4.172 ( 0.599 2.947 0.865) 3.129 4.226 ( 1.469 -1.394 1.745) 2.674 4.270 ( 0.631 -0.175 -0.466) 0.803 4.317 ( 0.101 -3.312 0.418) 3.340 4.406 ( 1.160 0.485 2.779) 3.050 4.426 ( 1.045 -1.372 2.814) 3.300 4.550 ( 1.904 1.444 -0.770) 2.511 4.555 ( 1.995 0.777 -0.126) 2.144 4.716 ( 1.579 2.056 0.187) 2.599 4.750 ( 1.232 -0.857 0.583) 1.610 4.769 ( -2.759 1.131 -2.883) 4.147 4.786 ( -0.714 0.217 -3.023) 3.114 4.928 ( -1.007 2.301 -0.061) 2.513 4.947 ( -0.172 0.568 -0.657) 0.885 4.958 ( 0.140 -0.117 0.317) 0.366 4.981 ( 0.138 -1.781 2.417) 3.006 5.098 ( -0.922 0.987 0.831) 1.585 5.112 ( -0.929 -0.460 0.498) 1.150 5.130 ( 1.266 2.248 -1.480) 2.975 5.160 ( 0.457 -0.019 0.932) 1.038 5.186 ( -1.255 0.767 0.785) 1.667 5.209 ( -1.120 -1.759 0.376) 2.119 5.295 ( -0.603 2.012 -1.820) 2.779 5.320 ( -1.206 0.047 -1.368) 1.824 5.382 ( -0.109 1.381 -0.114) 1.390 5.402 ( 0.678 -0.791 -0.444) 1.133 5.457 ( -1.411 3.741 -1.577) 4.298 5.498 ( 0.565 1.190 1.158) 1.754 5.506 ( 1.674 0.456 1.173) 2.094 5.518 ( -2.253 -2.346 -1.245) 3.483 5.759 ( -0.578 1.959 0.843) 2.210 5.778 ( -1.735 0.186 0.573) 1.837 5.805 ( -2.033 2.814 0.041) 3.472 5.843 ( -2.521 -0.722 0.354) 2.646 6.624 ( 0.602 0.032 0.077) 0.608 6.636 ( 0.726 -1.227 0.118) 1.430 6.762 ( 1.218 1.874 1.996) 2.996 6.798 ( 0.325 -1.588 -0.109) 1.624 6.929 ( 0.729 0.290 -0.107) 0.792 6.944 ( 0.622 -1.121 -0.358) 1.331 6.999 ( 0.741 0.555 -1.363) 1.648 7.018 ( 0.295 -1.296 -1.345) 1.891 7.160 ( 0.220 2.635 0.325) 2.664 7.190 ( 1.093 -0.371 0.392) 1.219 7.245 ( 0.449 1.638 0.196) 1.709 7.267 ( 0.492 -0.628 0.655) 1.033======================= Grid point 22 (15/54) =======================q-point: (-0.50 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( -0.000 8.376 0.000) 8.376 0.564 ( 0.000 11.120 0.000) 11.120 0.618 ( 0.000 -4.282 0.000) 4.282 0.761 ( 0.000 -7.762 0.000) 7.762 0.895 ( 0.000 1.433 0.000) 1.433 0.954 ( -0.000 -4.898 0.000) 4.898 0.999 ( -0.000 0.204 0.000) 0.204 1.025 ( 0.000 -2.028 -0.000) 2.028 1.146 ( -0.000 1.665 0.000) 1.665 1.162 ( 0.000 -0.306 -0.000) 0.306 1.251 ( 0.000 1.799 0.000) 1.799 1.310 ( 0.000 -3.385 -0.000) 3.385 1.440 ( -0.000 3.694 0.000) 3.694 1.459 ( 0.000 1.568 -0.000) 1.568 1.571 ( 0.000 6.157 -0.000) 6.157 1.614 ( 0.000 1.663 0.000) 1.663 1.675 ( 0.000 -2.673 0.000) 2.673 1.677 ( -0.000 -1.340 -0.000) 1.340 1.770 ( -0.000 6.229 0.000) 6.229 1.788 ( 0.000 1.280 -0.000) 1.280 1.841 ( 0.000 2.334 0.000) 2.334 1.854 ( -0.000 0.245 0.000) 0.245 1.925 ( 0.000 -3.416 -0.000) 3.416 1.946 ( 0.000 -1.004 0.000) 1.004 1.992 ( 0.000 3.494 -0.000) 3.494 2.088 ( 0.000 -4.328 -0.000) 4.328 2.149 ( -0.000 -1.583 0.000) 1.583 2.173 ( 0.000 -1.950 0.000) 1.950 2.208 ( -0.000 2.957 0.000) 2.957 2.253 ( 0.000 -1.969 0.000) 1.969 2.315 ( 0.000 0.737 0.000) 0.737 2.317 ( 0.000 0.437 -0.000) 0.437 2.434 ( 0.000 -1.077 0.000) 1.077 2.434 ( 0.000 -0.928 0.000) 0.928 2.576 ( 0.000 -0.666 -0.000) 0.666 2.577 ( -0.000 -0.870 0.000) 0.870 2.635 ( 0.000 2.145 -0.000) 2.145 2.638 ( -0.000 2.250 0.000) 2.250 2.688 ( 0.000 -1.077 0.000) 1.077 2.716 ( 0.000 -3.858 -0.000) 3.858 3.090 ( 0.000 -1.609 -0.000) 1.609 3.096 ( -0.000 -2.324 0.000) 2.324 3.220 ( -0.000 0.596 -0.000) 0.596 3.223 ( 0.000 0.779 0.000) 0.779 3.322 ( 0.000 1.837 0.000) 1.837 3.370 ( 0.000 -2.708 0.000) 2.708 3.432 ( 0.000 1.129 -0.000) 1.129 3.463 ( -0.000 3.608 0.000) 3.608 3.467 ( 0.000 -2.669 -0.000) 2.669 3.527 ( 0.000 -2.272 0.000) 2.272 3.615 ( 0.000 -0.683 0.000) 0.683 3.616 ( 0.000 -0.921 0.000) 0.921 3.631 ( -0.000 -0.182 0.000) 0.182 3.659 ( 0.000 -2.610 0.000) 2.610 3.803 ( 0.000 0.587 0.000) 0.587 3.807 ( -0.000 -0.280 0.000) 0.280 3.918 ( 0.000 1.945 0.000) 1.945 3.930 ( -0.000 1.091 -0.000) 1.091 3.969 ( -0.000 -1.234 0.000) 1.234 4.000 ( 0.000 -3.252 0.000) 3.252 4.015 ( 0.000 -0.489 0.000) 0.489 4.049 ( 0.000 -2.892 0.000) 2.892 4.182 ( 0.000 3.704 0.000) 3.704 4.259 ( -0.000 -3.801 -0.000) 3.801 4.264 ( 0.000 1.896 0.000) 1.896 4.323 ( 0.000 -3.937 0.000) 3.937 4.430 ( 0.000 -0.509 0.000) 0.509 4.435 ( -0.000 -1.066 -0.000) 1.066 4.599 ( 0.000 1.339 0.000) 1.339 4.602 ( 0.000 1.182 0.000) 1.182 4.695 ( 0.000 0.778 0.000) 0.778 4.711 ( -0.000 -0.744 -0.000) 0.744 4.767 ( 0.000 1.350 -0.000) 1.350 4.780 ( 0.000 -0.476 0.000) 0.476 4.904 ( 0.000 3.568 0.000) 3.568 4.939 ( -0.000 0.515 0.000) 0.515 4.959 ( 0.000 0.422 -0.000) 0.422 4.986 ( 0.000 -1.877 -0.000) 1.877 5.088 ( 0.000 1.381 0.000) 1.381 5.104 ( 0.000 -0.419 0.000) 0.419 5.155 ( -0.000 1.450 0.000) 1.450 5.180 ( 0.000 1.558 0.000) 1.558 5.197 ( 0.000 -0.102 -0.000) 0.102 5.200 ( -0.000 -2.467 0.000) 2.467 5.259 ( -0.000 2.184 -0.000) 2.184 5.290 ( 0.000 -0.719 0.000) 0.719 5.380 ( 0.000 1.652 -0.000) 1.652 5.407 ( 0.000 -1.100 0.000) 1.100 5.435 ( -0.000 2.870 0.000) 2.870 5.487 ( 0.000 -2.022 0.000) 2.022 5.514 ( 0.000 1.629 -0.000) 1.629 5.530 ( 0.000 0.197 0.000) 0.197 5.765 ( 0.000 2.223 -0.000) 2.223 5.772 ( 0.000 0.631 0.000) 0.631 5.778 ( -0.000 2.161 -0.000) 2.161 5.816 ( -0.000 -0.792 0.000) 0.792 6.629 ( -0.000 -0.042 0.000) 0.042 6.643 ( 0.000 -1.458 -0.000) 1.458 6.790 ( 0.000 0.776 0.000) 0.776 6.794 ( -0.000 0.502 -0.000) 0.502 6.934 ( 0.000 -0.033 -0.000) 0.033 6.947 ( 0.000 -1.262 0.000) 1.262 7.000 ( 0.000 0.047 0.000) 0.047 7.013 ( 0.000 -1.317 0.000) 1.317 7.166 ( 0.000 2.958 0.000) 2.958 7.204 ( -0.000 -0.936 0.000) 0.936 7.251 ( 0.000 1.920 0.000) 1.920 7.276 ( 0.000 -0.691 0.000) 0.691======================= Grid point 45 (16/54) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.305 ( 2.534 0.000 15.341) 15.549 0.311 ( 3.000 0.000 15.288) 15.580 0.590 ( -0.565 0.000 28.744) 28.749 0.792 ( -1.003 0.000 -6.209) 6.290 0.854 ( -3.025 0.000 -10.808) 11.223 1.185 ( 3.628 0.000 4.119) 5.489 1.197 ( -2.654 0.000 1.437) 3.018 1.304 ( 2.022 0.000 1.461) 2.494 1.306 ( 4.501 0.000 2.329) 5.068 1.321 ( -0.916 0.000 -0.161) 0.930 1.375 ( -0.751 0.000 -3.635) 3.712 1.426 ( -4.973 0.000 -1.542) 5.207 1.441 ( -3.185 0.000 -3.962) 5.083 1.476 ( 1.960 0.000 -11.849) 12.010 1.582 ( 5.557 0.000 2.291) 6.011 1.592 ( 2.778 0.000 -1.325) 3.077 1.664 ( -1.513 0.000 -0.641) 1.643 1.718 ( -1.772 0.000 -3.808) 4.200 1.740 ( 1.532 0.000 0.122) 1.537 1.802 ( -1.392 0.000 -3.726) 3.977 1.850 ( -4.875 0.000 0.456) 4.896 1.890 ( 7.337 0.000 -0.619) 7.363 1.945 ( -2.255 0.000 2.468) 3.343 1.956 ( 0.719 0.000 0.975) 1.212 1.974 ( -2.336 0.000 2.349) 3.313 2.043 ( 0.260 0.000 -1.121) 1.151 2.186 ( 1.739 0.000 1.062) 2.038 2.192 ( -3.390 0.000 -0.091) 3.391 2.360 ( -2.098 0.000 1.125) 2.381 2.394 ( -0.811 0.000 0.381) 0.896 2.410 ( 2.865 0.000 0.788) 2.972 2.480 ( -1.443 0.000 -1.531) 2.104 2.481 ( -0.376 0.000 4.464) 4.479 2.573 ( -2.788 0.000 0.118) 2.791 2.661 ( -0.933 0.000 -0.996) 1.365 2.685 ( 3.489 0.000 -4.321) 5.554 2.764 ( -5.138 0.000 -4.010) 6.517 2.787 ( 0.436 0.000 -1.889) 1.939 2.837 ( 2.111 0.000 2.035) 2.932 2.917 ( 2.380 0.000 0.318) 2.401 3.048 ( -1.661 0.000 -0.348) 1.697 3.088 ( 2.839 0.000 0.375) 2.864 3.090 ( -1.295 0.000 -1.152) 1.733 3.124 ( -3.379 0.000 -1.686) 3.777 3.197 ( -1.598 0.000 0.625) 1.716 3.216 ( -0.380 0.000 2.032) 2.067 3.245 ( 1.289 0.000 2.012) 2.389 3.282 ( 0.065 0.000 -0.782) 0.784 3.355 ( 0.632 0.000 0.586) 0.862 3.414 ( 0.058 0.000 -1.308) 1.309 3.508 ( 1.593 0.000 -1.466) 2.164 3.518 ( 0.450 0.000 -1.572) 1.635 3.565 ( -0.882 0.000 1.083) 1.397 3.577 ( 0.178 0.000 1.356) 1.368 3.632 ( -0.799 0.000 -1.319) 1.542 3.659 ( -1.437 0.000 -1.559) 2.120 3.763 ( -0.970 0.000 -1.587) 1.860 3.796 ( 0.488 0.000 -2.693) 2.737 4.028 ( -0.364 0.000 6.116) 6.127 4.043 ( -1.478 0.000 4.937) 5.154 4.064 ( 1.386 0.000 7.114) 7.248 4.078 ( 5.683 0.000 4.276) 7.112 4.174 ( 0.665 0.000 -1.098) 1.283 4.198 ( 1.542 0.000 2.343) 2.805 4.280 ( -3.059 0.000 -0.264) 3.071 4.316 ( 0.398 0.000 -0.687) 0.794 4.351 ( 0.565 0.000 0.539) 0.780 4.367 ( 3.552 0.000 -3.782) 5.189 4.416 ( -1.678 0.000 -1.966) 2.585 4.467 ( -1.295 0.000 -6.672) 6.796 4.592 ( 4.882 0.000 1.620) 5.143 4.668 ( -2.743 0.000 -1.239) 3.010 4.707 ( 2.427 0.000 -0.874) 2.579 4.716 ( -0.530 0.000 -0.864) 1.014 4.884 ( 2.162 0.000 2.814) 3.549 4.930 ( -2.397 0.000 0.459) 2.440 5.018 ( 1.328 0.000 3.453) 3.700 5.064 ( 1.208 0.000 -0.185) 1.222 5.084 ( -3.363 0.000 -0.116) 3.365 5.135 ( -1.754 0.000 -1.154) 2.099 5.146 ( -2.601 0.000 -3.023) 3.988 5.179 ( 0.699 0.000 -4.105) 4.164 5.186 ( 0.651 0.000 0.604) 0.888 5.212 ( 0.846 0.000 -0.288) 0.894 5.236 ( 1.329 0.000 0.403) 1.389 5.246 ( 0.816 0.000 -0.088) 0.821 5.304 ( 0.855 0.000 2.438) 2.583 5.367 ( 1.405 0.000 0.150) 1.413 5.400 ( -2.649 0.000 4.739) 5.429 5.482 ( -2.516 0.000 1.300) 2.832 5.553 ( -1.435 0.000 -1.185) 1.862 5.607 ( 3.786 0.000 -3.986) 5.498 5.675 ( -0.297 0.000 0.446) 0.535 5.719 ( -0.681 0.000 -1.235) 1.410 5.959 ( 0.733 0.000 0.563) 0.925 5.961 ( -0.763 0.000 0.608) 0.976 6.582 ( -1.376 0.000 0.225) 1.395 6.584 ( 0.595 0.000 0.084) 0.601 6.810 ( -8.246 0.000 2.123) 8.515 6.828 ( -3.707 0.000 0.977) 3.834 6.873 ( 1.049 0.000 -1.181) 1.579 6.927 ( 0.226 0.000 -1.427) 1.444 6.947 ( 13.975 0.000 0.263) 13.977 6.963 ( 0.038 0.000 -1.544) 1.545 7.047 ( -0.575 0.000 1.571) 1.673 7.106 ( 0.425 0.000 -1.223) 1.295 7.216 ( 4.801 0.000 0.336) 4.813 7.221 ( -1.847 0.000 0.051) 1.848======================= Grid point 46 (17/54) =======================q-point: ( 0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.427 ( -3.339 0.000 16.408) 16.744 0.575 ( 8.842 0.000 7.177) 11.388 0.692 ( -1.158 0.000 -8.372) 8.452 0.723 ( 5.791 0.000 -9.106) 10.791 1.018 ( 11.877 0.000 17.438) 21.098 1.168 ( -2.371 0.000 1.717) 2.927 1.199 ( -9.714 0.000 -0.723) 9.741 1.239 ( -9.560 0.000 -2.005) 9.768 1.252 ( -3.044 0.000 1.399) 3.350 1.305 ( -2.528 0.000 -1.143) 2.774 1.351 ( -0.096 0.000 -9.640) 9.640 1.374 ( -0.740 0.000 -0.812) 1.099 1.423 ( 5.401 0.000 1.139) 5.520 1.485 ( 5.137 0.000 1.994) 5.510 1.554 ( -0.123 0.000 -2.511) 2.514 1.604 ( -8.901 0.000 -0.687) 8.928 1.610 ( -0.575 0.000 -1.220) 1.349 1.642 ( -4.416 0.000 -3.834) 5.848 1.687 ( 1.038 0.000 -1.131) 1.535 1.735 ( -1.483 0.000 -2.610) 3.002 1.791 ( -0.811 0.000 0.239) 0.846 1.911 ( -3.697 0.000 1.951) 4.180 1.935 ( -4.885 0.000 0.224) 4.891 1.970 ( 1.654 0.000 -0.570) 1.749 1.971 ( -2.397 0.000 -1.477) 2.815 1.978 ( -5.044 0.000 2.602) 5.676 2.101 ( -5.320 0.000 0.020) 5.320 2.211 ( 0.141 0.000 -0.782) 0.794 2.317 ( -2.842 0.000 0.629) 2.911 2.377 ( -1.944 0.000 1.252) 2.312 2.441 ( 0.405 0.000 -0.038) 0.407 2.454 ( -4.505 0.000 3.002) 5.414 2.474 ( 1.225 0.000 1.695) 2.091 2.568 ( -0.705 0.000 2.126) 2.240 2.590 ( -2.704 0.000 -3.593) 4.496 2.666 ( -4.212 0.000 1.358) 4.425 2.719 ( 2.762 0.000 -2.585) 3.783 2.748 ( -2.481 0.000 -0.809) 2.609 2.843 ( -3.044 0.000 -1.015) 3.209 2.870 ( -2.147 0.000 -3.166) 3.826 3.073 ( 2.175 0.000 1.179) 2.474 3.137 ( 4.795 0.000 -1.240) 4.953 3.139 ( 3.003 0.000 -0.508) 3.046 3.209 ( 4.413 0.000 1.874) 4.794 3.226 ( 3.598 0.000 2.355) 4.300 3.272 ( 1.725 0.000 1.407) 2.226 3.298 ( 3.585 0.000 -2.410) 4.320 3.325 ( 6.465 0.000 0.644) 6.497 3.411 ( 5.823 0.000 -0.790) 5.876 3.429 ( 2.592 0.000 -1.650) 3.073 3.519 ( 3.047 0.000 -2.432) 3.898 3.525 ( 0.835 0.000 -1.309) 1.553 3.597 ( 1.789 0.000 0.337) 1.821 3.603 ( 1.098 0.000 1.940) 2.229 3.633 ( 1.677 0.000 1.192) 2.057 3.641 ( 2.961 0.000 -0.838) 3.077 3.762 ( 1.363 0.000 0.049) 1.364 3.792 ( 1.640 0.000 -1.712) 2.371 4.050 ( -1.930 0.000 2.646) 3.275 4.065 ( -0.453 0.000 3.171) 3.203 4.135 ( -0.760 0.000 3.876) 3.949 4.166 ( -1.325 0.000 1.718) 2.170 4.191 ( 2.554 0.000 -1.349) 2.889 4.200 ( -0.763 0.000 -2.382) 2.502 4.282 ( 3.222 0.000 4.826) 5.802 4.337 ( 1.252 0.000 -2.752) 3.024 4.369 ( 1.732 0.000 -2.811) 3.302 4.378 ( 0.223 0.000 -1.065) 1.088 4.380 ( 1.871 0.000 2.556) 3.167 4.396 ( 0.836 0.000 -4.027) 4.113 4.601 ( -1.801 0.000 -2.213) 2.853 4.649 ( 0.400 0.000 -0.209) 0.451 4.752 ( 4.469 0.000 -1.056) 4.592 4.759 ( 3.465 0.000 -1.340) 3.716 4.872 ( -2.889 0.000 0.722) 2.978 4.956 ( 1.536 0.000 2.392) 2.843 5.017 ( -4.266 0.000 1.514) 4.527 5.065 ( -1.111 0.000 2.858) 3.067 5.078 ( -0.904 0.000 -1.147) 1.460 5.085 ( -0.566 0.000 0.580) 0.810 5.094 ( -0.172 0.000 0.293) 0.340 5.159 ( -1.608 0.000 1.245) 2.034 5.185 ( 2.513 0.000 -1.842) 3.116 5.216 ( 1.239 0.000 -3.298) 3.523 5.254 ( 0.231 0.000 -0.358) 0.426 5.274 ( 0.802 0.000 -1.276) 1.507 5.323 ( -2.162 0.000 0.388) 2.197 5.338 ( -2.661 0.000 -0.295) 2.677 5.378 ( -1.639 0.000 3.896) 4.227 5.445 ( -0.622 0.000 2.377) 2.457 5.524 ( -0.749 0.000 0.202) 0.776 5.636 ( 1.175 0.000 -2.530) 2.789 5.690 ( 0.217 0.000 1.269) 1.287 5.692 ( -0.711 0.000 -1.049) 1.268 5.911 ( -4.424 0.000 0.270) 4.432 5.951 ( -2.089 0.000 0.385) 2.124 6.579 ( 0.863 0.000 0.259) 0.901 6.620 ( 2.597 0.000 0.793) 2.715 6.735 ( -3.700 0.000 6.277) 7.286 6.853 ( 2.158 0.000 1.185) 2.462 6.889 ( 1.692 0.000 -2.360) 2.904 6.905 ( -2.584 0.000 -3.409) 4.277 6.965 ( 3.976 0.000 0.024) 3.976 7.025 ( 1.288 0.000 -2.650) 2.946 7.049 ( -0.854 0.000 1.482) 1.711 7.105 ( 0.903 0.000 -1.267) 1.555 7.182 ( -1.393 0.000 -0.752) 1.583 7.260 ( 0.565 0.000 0.733) 0.926======================= Grid point 47 (18/54) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.496 ( -5.329 0.000 10.855) 12.093 0.594 ( 4.642 0.000 -5.826) 7.449 0.779 ( -5.472 0.000 4.013) 6.785 0.797 ( 10.669 0.000 -7.265) 12.907 1.009 ( -2.018 0.000 3.102) 3.701 1.013 ( -13.538 0.000 0.139) 13.539 1.126 ( -10.909 0.000 -0.052) 10.909 1.150 ( -1.593 0.000 2.199) 2.715 1.197 ( -3.655 0.000 2.339) 4.340 1.275 ( 0.402 0.000 0.191) 0.445 1.293 ( -0.844 0.000 0.706) 1.101 1.389 ( -7.060 0.000 1.821) 7.291 1.426 ( 2.426 0.000 -10.019) 10.308 1.441 ( 0.277 0.000 5.571) 5.577 1.540 ( -3.093 0.000 -2.460) 3.953 1.594 ( -0.421 0.000 -2.270) 2.308 1.642 ( 6.121 0.000 2.512) 6.616 1.644 ( 1.869 0.000 -5.185) 5.512 1.679 ( -4.750 0.000 1.715) 5.051 1.706 ( 1.919 0.000 -0.303) 1.943 1.792 ( -0.839 0.000 -5.578) 5.640 1.797 ( -4.121 0.000 -0.010) 4.121 1.807 ( 0.246 0.000 -1.644) 1.663 1.868 ( -1.110 0.000 1.709) 2.038 1.975 ( 0.205 0.000 0.457) 0.501 1.985 ( -0.015 0.000 0.814) 0.815 2.072 ( -0.504 0.000 2.212) 2.269 2.173 ( -1.376 0.000 -2.106) 2.515 2.279 ( -2.290 0.000 2.008) 3.046 2.339 ( -3.661 0.000 2.276) 4.311 2.400 ( -4.172 0.000 0.207) 4.177 2.491 ( 0.472 0.000 2.875) 2.914 2.503 ( 0.412 0.000 0.814) 0.913 2.536 ( -0.357 0.000 -1.945) 1.977 2.584 ( -3.708 0.000 0.405) 3.730 2.585 ( -0.363 0.000 4.469) 4.484 2.698 ( -3.099 0.000 -0.086) 3.100 2.735 ( -5.500 0.000 -1.080) 5.606 2.744 ( 1.532 0.000 -1.267) 1.988 2.818 ( -1.279 0.000 -0.951) 1.594 3.144 ( 1.878 0.000 0.944) 2.102 3.170 ( 0.941 0.000 -3.613) 3.734 3.194 ( 2.567 0.000 3.401) 4.261 3.254 ( 0.862 0.000 -2.670) 2.805 3.284 ( -0.656 0.000 3.827) 3.883 3.321 ( 2.792 0.000 1.038) 2.979 3.326 ( 2.328 0.000 -1.512) 2.776 3.419 ( 2.905 0.000 -0.644) 2.976 3.497 ( 3.563 0.000 0.204) 3.569 3.505 ( 5.608 0.000 0.523) 5.632 3.524 ( 1.104 0.000 -1.015) 1.500 3.601 ( 5.547 0.000 -2.830) 6.228 3.636 ( 1.955 0.000 0.996) 2.194 3.649 ( 3.020 0.000 1.649) 3.441 3.703 ( 2.928 0.000 -1.856) 3.467 3.724 ( 5.730 0.000 2.975) 6.456 3.796 ( 2.160 0.000 -0.466) 2.210 3.823 ( 2.933 0.000 -0.828) 3.047 4.016 ( -1.674 0.000 -2.019) 2.622 4.062 ( -1.528 0.000 -0.032) 1.528 4.120 ( -1.583 0.000 -0.426) 1.640 4.144 ( 2.113 0.000 -0.300) 2.134 4.198 ( 0.214 0.000 -0.810) 0.838 4.235 ( 3.319 0.000 -1.003) 3.467 4.321 ( 0.506 0.000 -1.145) 1.251 4.377 ( 2.647 0.000 -1.766) 3.182 4.377 ( 0.133 0.000 -3.245) 3.248 4.398 ( 3.256 0.000 5.753) 6.610 4.434 ( 4.464 0.000 0.563) 4.500 4.465 ( 2.687 0.000 2.547) 3.702 4.597 ( 2.916 0.000 0.553) 2.968 4.654 ( 0.431 0.000 -0.656) 0.785 4.754 ( -1.283 0.000 -0.556) 1.398 4.776 ( 0.360 0.000 -2.599) 2.624 4.888 ( 0.972 0.000 0.258) 1.006 4.939 ( -3.926 0.000 -0.869) 4.021 4.969 ( -1.729 0.000 0.998) 1.996 5.028 ( -0.623 0.000 -2.132) 2.222 5.045 ( -1.699 0.000 2.236) 2.808 5.122 ( 0.112 0.000 0.008) 0.112 5.128 ( 0.991 0.000 3.768) 3.896 5.153 ( -1.697 0.000 1.823) 2.490 5.189 ( 0.061 0.000 -4.159) 4.160 5.234 ( 1.148 0.000 0.805) 1.403 5.242 ( -0.967 0.000 -0.470) 1.075 5.256 ( 2.857 0.000 0.095) 2.859 5.309 ( -0.999 0.000 -0.029) 0.999 5.311 ( 1.347 0.000 -2.025) 2.432 5.385 ( 0.391 0.000 0.334) 0.514 5.441 ( -0.340 0.000 -1.200) 1.248 5.525 ( -1.419 0.000 3.302) 3.594 5.623 ( -1.350 0.000 -0.842) 1.591 5.681 ( -0.337 0.000 0.353) 0.488 5.689 ( -0.878 0.000 0.414) 0.971 5.834 ( -3.711 0.000 0.615) 3.762 5.896 ( -3.648 0.000 -0.470) 3.679 6.608 ( 1.772 0.000 0.125) 1.776 6.679 ( 2.711 0.000 0.856) 2.843 6.749 ( -1.534 0.000 5.266) 5.485 6.794 ( -2.311 0.000 -6.265) 6.678 6.913 ( 2.818 0.000 1.399) 3.146 6.926 ( 3.212 0.000 -1.323) 3.474 7.012 ( 0.127 0.000 -1.875) 1.880 7.045 ( -0.672 0.000 1.966) 2.078 7.052 ( 3.361 0.000 1.070) 3.527 7.115 ( 1.558 0.000 -1.329) 2.047 7.166 ( 0.414 0.000 -0.737) 0.845 7.273 ( 0.355 0.000 0.294) 0.461======================= Grid point 48 (19/54) =======================q-point: ( 0.38 0.00 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.356 ( -16.821 0.000 1.289) 16.870 0.473 ( -18.116 0.000 1.810) 18.206 0.773 ( 7.387 0.000 2.275) 7.729 0.813 ( -8.062 0.000 3.873) 8.944 0.948 ( -8.066 0.000 1.861) 8.278 0.958 ( 10.876 0.000 -2.382) 11.134 1.108 ( 2.968 0.000 2.725) 4.030 1.130 ( -4.317 0.000 0.853) 4.401 1.159 ( -1.029 0.000 0.140) 1.039 1.205 ( -3.031 0.000 -2.887) 4.186 1.260 ( -6.394 0.000 -5.587) 8.491 1.326 ( -3.343 0.000 0.076) 3.344 1.352 ( -2.661 0.000 5.182) 5.825 1.404 ( -0.350 0.000 -4.300) 4.315 1.480 ( -1.406 0.000 -0.166) 1.415 1.557 ( -7.844 0.000 3.623) 8.640 1.561 ( -3.017 0.000 0.161) 3.021 1.665 ( -0.102 0.000 0.399) 0.412 1.667 ( -0.007 0.000 -1.697) 1.697 1.704 ( 7.932 0.000 -6.373) 10.175 1.805 ( 4.346 0.000 -3.952) 5.874 1.833 ( 3.244 0.000 0.895) 3.365 1.866 ( 5.494 0.000 0.957) 5.577 1.924 ( 2.986 0.000 -2.474) 3.878 2.027 ( 4.644 0.000 1.716) 4.951 2.031 ( 1.371 0.000 3.829) 4.067 2.105 ( 4.025 0.000 1.688) 4.364 2.154 ( 0.548 0.000 -1.606) 1.697 2.259 ( -7.653 0.000 -3.463) 8.400 2.295 ( 0.420 0.000 3.805) 3.828 2.312 ( -2.163 0.000 1.879) 2.866 2.402 ( -8.288 0.000 1.131) 8.365 2.500 ( -1.190 0.000 -0.589) 1.327 2.533 ( 0.770 0.000 -0.440) 0.887 2.559 ( -4.870 0.000 0.368) 4.884 2.576 ( -1.326 0.000 -2.999) 3.279 2.661 ( -0.844 0.000 2.434) 2.576 2.696 ( -2.085 0.000 3.428) 4.012 2.753 ( 0.345 0.000 0.159) 0.379 2.806 ( -0.046 0.000 1.047) 1.048 3.130 ( 0.331 0.000 -3.003) 3.021 3.154 ( -0.045 0.000 -0.273) 0.277 3.208 ( -0.592 0.000 -4.716) 4.753 3.279 ( 2.153 0.000 3.339) 3.973 3.327 ( -0.673 0.000 5.677) 5.717 3.328 ( -1.481 0.000 -0.266) 1.504 3.399 ( 4.958 0.000 0.375) 4.972 3.458 ( 1.778 0.000 -0.713) 1.916 3.522 ( 0.517 0.000 -0.476) 0.703 3.543 ( 0.485 0.000 0.417) 0.640 3.602 ( 0.252 0.000 -2.300) 2.314 3.604 ( 3.167 0.000 1.124) 3.360 3.683 ( 1.393 0.000 0.701) 1.559 3.719 ( 1.731 0.000 1.543) 2.319 3.725 ( 1.963 0.000 -1.739) 2.622 3.820 ( 1.810 0.000 -0.822) 1.988 3.862 ( 4.046 0.000 2.245) 4.627 3.883 ( 3.891 0.000 -0.283) 3.901 3.975 ( -0.196 0.000 -1.019) 1.038 4.045 ( -0.746 0.000 0.020) 0.746 4.097 ( -0.224 0.000 -0.906) 0.933 4.161 ( 1.156 0.000 -2.641) 2.883 4.222 ( 2.039 0.000 -0.347) 2.069 4.290 ( 2.852 0.000 0.702) 2.937 4.309 ( -0.474 0.000 -2.841) 2.880 4.352 ( 0.641 0.000 -1.072) 1.250 4.424 ( 3.383 0.000 -0.359) 3.402 4.493 ( 1.574 0.000 2.607) 3.045 4.506 ( 2.243 0.000 -0.503) 2.299 4.529 ( 2.646 0.000 0.854) 2.781 4.635 ( -0.475 0.000 -0.922) 1.037 4.681 ( 3.106 0.000 1.792) 3.586 4.745 ( -0.924 0.000 -1.423) 1.696 4.769 ( 1.297 0.000 3.131) 3.389 4.851 ( -3.394 0.000 -0.330) 3.410 4.853 ( -4.076 0.000 0.236) 4.083 4.960 ( 0.560 0.000 -1.765) 1.852 5.012 ( 0.392 0.000 -1.101) 1.168 5.050 ( -0.957 0.000 2.065) 2.276 5.096 ( -0.672 0.000 -2.703) 2.786 5.125 ( -1.491 0.000 -0.598) 1.606 5.142 ( -0.003 0.000 -2.988) 2.988 5.199 ( 1.294 0.000 4.378) 4.565 5.227 ( -0.299 0.000 0.727) 0.786 5.242 ( -0.104 0.000 0.652) 0.660 5.285 ( -1.224 0.000 -0.524) 1.331 5.303 ( 1.969 0.000 -3.388) 3.918 5.371 ( 3.254 0.000 3.554) 4.818 5.407 ( 1.580 0.000 -0.089) 1.582 5.433 ( 0.972 0.000 -1.182) 1.530 5.529 ( -1.701 0.000 2.904) 3.366 5.551 ( -3.942 0.000 -1.034) 4.075 5.670 ( -1.472 0.000 0.665) 1.615 5.700 ( 1.525 0.000 -0.177) 1.535 5.786 ( -2.680 0.000 0.634) 2.754 5.823 ( -2.818 0.000 -1.446) 3.168 6.637 ( 1.240 0.000 -0.337) 1.285 6.714 ( -0.048 0.000 -4.403) 4.403 6.738 ( 2.489 0.000 0.603) 2.561 6.764 ( -1.858 0.000 3.910) 4.329 6.968 ( 2.143 0.000 -1.098) 2.408 6.973 ( 1.985 0.000 1.385) 2.420 6.999 ( 0.061 0.000 -1.082) 1.083 7.043 ( -0.912 0.000 1.845) 2.058 7.103 ( 0.782 0.000 0.538) 0.949 7.133 ( 1.545 0.000 -1.207) 1.960 7.184 ( 1.724 0.000 -0.087) 1.726 7.277 ( 0.244 0.000 -0.734) 0.773======================= Grid point 49 (20/54) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.107 ( 12.726 0.000 -5.987) 14.064 0.183 ( -4.424 0.000 -3.888) 5.890 0.760 ( -3.841 0.000 6.212) 7.303 0.864 ( -2.453 0.000 2.806) 3.727 0.893 ( -1.970 0.000 2.364) 3.077 1.040 ( -1.651 0.000 -2.310) 2.839 1.087 ( -1.054 0.000 0.649) 1.238 1.114 ( 3.349 0.000 -4.390) 5.521 1.123 ( -3.036 0.000 1.384) 3.336 1.145 ( 1.796 0.000 -2.607) 3.166 1.208 ( 7.829 0.000 -1.611) 7.993 1.326 ( 0.066 0.000 -4.235) 4.235 1.331 ( -3.369 0.000 2.087) 3.963 1.370 ( 2.026 0.000 -1.089) 2.300 1.442 ( -6.946 0.000 6.218) 9.323 1.524 ( 0.685 0.000 -0.886) 1.119 1.540 ( 2.679 0.000 2.990) 4.014 1.669 ( 0.500 0.000 -0.947) 1.071 1.671 ( 1.302 0.000 -0.650) 1.456 1.774 ( 3.847 0.000 -3.813) 5.417 1.825 ( -1.888 0.000 -0.885) 2.085 1.850 ( 2.878 0.000 -1.730) 3.358 1.954 ( 2.101 0.000 0.085) 2.103 1.991 ( -5.302 0.000 0.733) 5.353 2.043 ( -0.773 0.000 1.032) 1.289 2.051 ( 2.306 0.000 -0.900) 2.476 2.178 ( 5.454 0.000 3.096) 6.272 2.210 ( 0.007 0.000 -1.131) 1.131 2.224 ( 3.382 0.000 0.416) 3.408 2.246 ( -7.703 0.000 0.350) 7.711 2.297 ( -2.670 0.000 2.670) 3.776 2.329 ( 2.081 0.000 3.678) 4.226 2.462 ( -0.710 0.000 -2.567) 2.663 2.484 ( -3.127 0.000 0.147) 3.130 2.512 ( 0.983 0.000 -2.367) 2.563 2.558 ( 2.087 0.000 -1.805) 2.759 2.651 ( -1.066 0.000 1.037) 1.487 2.694 ( -1.958 0.000 3.382) 3.908 2.723 ( -1.663 0.000 -2.128) 2.700 2.818 ( 0.618 0.000 -0.481) 0.783 3.151 ( 0.057 0.000 -0.380) 0.384 3.164 ( 0.436 0.000 -2.550) 2.587 3.179 ( 4.098 0.000 2.282) 4.690 3.268 ( -4.071 0.000 -0.947) 4.179 3.341 ( 1.490 0.000 2.022) 2.512 3.354 ( -1.262 0.000 3.222) 3.461 3.437 ( -0.733 0.000 -1.175) 1.385 3.465 ( -0.169 0.000 -0.754) 0.773 3.525 ( 0.521 0.000 -1.258) 1.362 3.536 ( 0.374 0.000 -0.247) 0.449 3.639 ( 1.809 0.000 1.688) 2.475 3.643 ( -0.408 0.000 1.523) 1.577 3.694 ( 0.147 0.000 0.853) 0.865 3.720 ( -1.664 0.000 -0.483) 1.733 3.759 ( 2.045 0.000 0.804) 2.198 3.827 ( -0.580 0.000 -1.518) 1.625 3.888 ( -1.248 0.000 0.986) 1.591 3.938 ( 1.722 0.000 0.393) 1.767 4.003 ( 1.061 0.000 1.508) 1.844 4.022 ( -1.375 0.000 -0.527) 1.473 4.092 ( 0.604 0.000 -0.338) 0.692 4.158 ( 1.015 0.000 -3.006) 3.172 4.219 ( -1.331 0.000 -1.300) 1.861 4.268 ( -0.470 0.000 -2.778) 2.818 4.333 ( 1.044 0.000 0.401) 1.118 4.402 ( 3.400 0.000 2.911) 4.475 4.436 ( -2.059 0.000 -4.023) 4.520 4.479 ( -1.519 0.000 -0.098) 1.522 4.532 ( 0.901 0.000 -0.090) 0.906 4.546 ( -1.982 0.000 -0.644) 2.084 4.651 ( 1.044 0.000 1.266) 1.641 4.677 ( -1.797 0.000 -1.080) 2.096 4.756 ( 2.412 0.000 0.597) 2.485 4.764 ( -3.571 0.000 -0.247) 3.580 4.844 ( 1.495 0.000 3.914) 4.190 4.862 ( 1.407 0.000 3.557) 3.825 4.964 ( 1.387 0.000 -0.926) 1.668 5.023 ( 1.413 0.000 0.040) 1.414 5.032 ( -1.974 0.000 -0.150) 1.980 5.057 ( -0.099 0.000 -3.935) 3.936 5.103 ( 0.154 0.000 -1.019) 1.030 5.114 ( -1.134 0.000 -1.755) 2.089 5.228 ( 0.269 0.000 0.789) 0.833 5.241 ( -0.463 0.000 0.066) 0.468 5.255 ( -0.123 0.000 -0.445) 0.462 5.289 ( 0.172 0.000 -3.156) 3.161 5.290 ( 1.149 0.000 5.372) 5.493 5.412 ( -0.823 0.000 1.322) 1.557 5.433 ( 0.521 0.000 -0.801) 0.955 5.446 ( 0.997 0.000 -0.301) 1.041 5.507 ( -3.105 0.000 1.757) 3.567 5.517 ( 1.188 0.000 0.180) 1.202 5.659 ( -0.155 0.000 1.058) 1.069 5.718 ( 0.295 0.000 -1.097) 1.136 5.749 ( -1.053 0.000 0.292) 1.093 5.788 ( 0.844 0.000 -1.480) 1.703 6.642 ( -0.090 0.000 -0.747) 0.752 6.682 ( 0.293 0.000 -2.871) 2.886 6.751 ( -2.976 0.000 2.399) 3.823 6.801 ( 3.122 0.000 1.422) 3.431 6.975 ( -0.180 0.000 -0.877) 0.896 6.983 ( -0.842 0.000 -0.238) 0.875 7.018 ( 1.253 0.000 1.214) 1.745 7.049 ( -0.406 0.000 1.265) 1.329 7.101 ( -0.941 0.000 -0.286) 0.983 7.143 ( 0.701 0.000 -1.082) 1.289 7.209 ( 0.409 0.000 0.759) 0.862 7.266 ( -0.307 0.000 -1.530) 1.561======================= Grid point 50 (21/54) =======================q-point: (-0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.423 ( 21.768 0.000 -0.067) 21.768 0.463 ( 17.082 0.000 1.711) 17.167 0.758 ( -3.799 0.000 7.900) 8.766 0.860 ( 1.409 0.000 1.007) 1.732 0.897 ( -1.044 0.000 2.197) 2.432 0.991 ( -6.053 0.000 -2.002) 6.375 1.020 ( 0.755 0.000 -1.542) 1.717 1.056 ( 1.492 0.000 -4.177) 4.436 1.179 ( 2.955 0.000 -1.075) 3.144 1.241 ( 8.459 0.000 -1.257) 8.552 1.273 ( -0.956 0.000 2.484) 2.662 1.334 ( -0.884 0.000 4.302) 4.392 1.378 ( 0.526 0.000 3.252) 3.294 1.396 ( 6.562 0.000 -5.719) 8.704 1.415 ( 4.841 0.000 1.425) 5.047 1.577 ( 5.337 0.000 -2.379) 5.843 1.637 ( 4.428 0.000 1.387) 4.640 1.645 ( -2.574 0.000 -2.107) 3.327 1.657 ( -2.844 0.000 0.540) 2.895 1.714 ( -3.777 0.000 -3.062) 4.862 1.809 ( 1.250 0.000 -4.842) 5.001 1.846 ( -2.561 0.000 -1.463) 2.949 1.861 ( -4.259 0.000 1.384) 4.479 1.945 ( -5.225 0.000 -0.813) 5.287 2.007 ( -6.380 0.000 0.480) 6.398 2.081 ( -0.385 0.000 0.878) 0.958 2.136 ( 1.377 0.000 1.707) 2.193 2.174 ( -4.299 0.000 0.424) 4.320 2.186 ( 2.358 0.000 -0.676) 2.453 2.302 ( 2.730 0.000 2.392) 3.630 2.381 ( 3.802 0.000 3.164) 4.946 2.414 ( -0.701 0.000 2.932) 3.015 2.448 ( 3.333 0.000 -0.402) 3.358 2.488 ( 1.807 0.000 -0.975) 2.053 2.520 ( 0.274 0.000 -4.349) 4.358 2.555 ( 1.657 0.000 -0.320) 1.688 2.672 ( 1.259 0.000 2.143) 2.485 2.732 ( 3.653 0.000 -0.317) 3.666 2.743 ( 4.753 0.000 5.019) 6.912 2.824 ( 1.160 0.000 -1.400) 1.818 3.143 ( -1.082 0.000 -1.132) 1.566 3.154 ( 0.712 0.000 -1.076) 1.290 3.159 ( -4.842 0.000 -2.325) 5.371 3.279 ( 1.614 0.000 3.102) 3.497 3.343 ( -1.675 0.000 1.329) 2.139 3.373 ( -0.985 0.000 1.681) 1.948 3.407 ( -1.012 0.000 -0.247) 1.041 3.452 ( 0.343 0.000 -0.505) 0.611 3.508 ( -1.118 0.000 -1.562) 1.921 3.535 ( -0.659 0.000 -0.181) 0.683 3.618 ( -3.234 0.000 0.868) 3.349 3.645 ( -1.469 0.000 0.464) 1.540 3.681 ( -2.192 0.000 0.274) 2.209 3.725 ( 0.945 0.000 1.317) 1.620 3.749 ( -4.906 0.000 -2.543) 5.526 3.778 ( -2.130 0.000 0.507) 2.190 3.874 ( -2.265 0.000 1.860) 2.931 3.926 ( -3.511 0.000 -0.223) 3.518 4.013 ( -0.446 0.000 0.306) 0.541 4.023 ( 2.212 0.000 0.379) 2.245 4.091 ( -0.981 0.000 -1.361) 1.678 4.097 ( -3.008 0.000 -4.021) 5.021 4.205 ( 0.073 0.000 0.737) 0.741 4.241 ( -0.343 0.000 -1.788) 1.821 4.342 ( -3.278 0.000 -3.066) 4.488 4.367 ( 1.483 0.000 2.400) 2.821 4.409 ( -3.873 0.000 -2.861) 4.815 4.470 ( -3.318 0.000 -0.410) 3.343 4.480 ( 0.284 0.000 2.639) 2.655 4.520 ( -2.851 0.000 0.954) 3.006 4.642 ( -1.712 0.000 0.295) 1.737 4.685 ( 0.417 0.000 0.519) 0.665 4.739 ( 1.688 0.000 0.942) 1.934 4.826 ( 3.218 0.000 0.965) 3.360 4.883 ( -1.089 0.000 0.931) 1.433 4.900 ( 0.444 0.000 0.438) 0.623 4.969 ( -2.458 0.000 -0.804) 2.586 4.993 ( 0.861 0.000 0.409) 0.953 5.013 ( 0.400 0.000 -5.258) 5.274 5.053 ( 1.293 0.000 0.249) 1.317 5.085 ( -0.237 0.000 0.045) 0.241 5.112 ( 0.501 0.000 0.502) 0.710 5.230 ( -0.555 0.000 -0.072) 0.560 5.243 ( 0.486 0.000 0.083) 0.493 5.249 ( 0.427 0.000 -0.538) 0.687 5.268 ( 0.274 0.000 -1.145) 1.177 5.355 ( -0.196 0.000 4.564) 4.569 5.390 ( -2.488 0.000 0.827) 2.622 5.402 ( -1.479 0.000 -3.438) 3.743 5.455 ( -0.227 0.000 -0.359) 0.424 5.480 ( -0.493 0.000 2.516) 2.564 5.570 ( 3.187 0.000 0.221) 3.195 5.675 ( 0.497 0.000 0.738) 0.890 5.694 ( -0.822 0.000 -0.246) 0.858 5.771 ( 2.845 0.000 0.078) 2.846 5.819 ( 3.376 0.000 -1.019) 3.526 6.622 ( -1.229 0.000 -0.582) 1.360 6.660 ( -0.535 0.000 -1.713) 1.795 6.706 ( -3.725 0.000 1.368) 3.968 6.874 ( 3.594 0.000 0.460) 3.623 6.953 ( -2.386 0.000 0.161) 2.391 6.959 ( -0.843 0.000 0.146) 0.856 7.036 ( -1.680 0.000 -0.743) 1.837 7.051 ( 1.102 0.000 1.388) 1.772 7.073 ( -2.035 0.000 0.662) 2.140 7.138 ( -0.032 0.000 -0.988) 0.988 7.215 ( -0.723 0.000 1.512) 1.676 7.233 ( -1.264 0.000 -2.347) 2.666======================= Grid point 51 (22/54) =======================q-point: (-0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.519 ( -12.590 0.000 8.889) 15.412 0.621 ( -12.329 0.000 -0.989) 12.369 0.841 ( -5.333 0.000 -7.811) 9.458 0.882 ( 18.319 0.000 -1.081) 18.351 0.934 ( 1.940 0.000 1.298) 2.334 0.982 ( 1.668 0.000 2.321) 2.858 1.053 ( 1.415 0.000 2.439) 2.820 1.078 ( 7.816 0.000 2.418) 8.182 1.219 ( 3.842 0.000 -2.514) 4.591 1.274 ( -1.857 0.000 3.613) 4.062 1.302 ( 1.130 0.000 -1.825) 2.146 1.387 ( 2.026 0.000 0.727) 2.153 1.435 ( 6.094 0.000 1.155) 6.202 1.489 ( 6.439 0.000 -4.744) 7.998 1.531 ( 3.019 0.000 2.472) 3.902 1.537 ( -1.470 0.000 -1.325) 1.979 1.630 ( 0.864 0.000 -1.549) 1.774 1.662 ( 4.854 0.000 1.060) 4.968 1.667 ( 0.015 0.000 -0.911) 0.911 1.736 ( 2.668 0.000 3.424) 4.341 1.777 ( -2.785 0.000 -6.631) 7.192 1.780 ( 2.309 0.000 -2.659) 3.521 1.824 ( -0.293 0.000 -0.952) 0.997 1.882 ( 4.252 0.000 0.565) 4.289 1.981 ( 0.274 0.000 0.182) 0.329 2.055 ( -5.585 0.000 0.110) 5.586 2.076 ( 1.042 0.000 1.842) 2.116 2.181 ( 1.568 0.000 -2.766) 3.180 2.299 ( 4.322 0.000 2.838) 5.170 2.346 ( 0.690 0.000 0.592) 0.909 2.448 ( 0.113 0.000 5.317) 5.318 2.453 ( 0.856 0.000 2.138) 2.303 2.455 ( -1.515 0.000 -0.042) 1.516 2.516 ( 6.338 0.000 -3.151) 7.078 2.549 ( 3.760 0.000 1.384) 4.007 2.610 ( 2.771 0.000 1.360) 3.086 2.711 ( 1.081 0.000 0.738) 1.309 2.776 ( 1.069 0.000 -1.270) 1.660 2.844 ( 2.899 0.000 -2.427) 3.781 2.873 ( 1.947 0.000 0.865) 2.131 3.061 ( -0.500 0.000 0.190) 0.535 3.143 ( 0.506 0.000 0.527) 0.730 3.163 ( 0.919 0.000 -0.664) 1.133 3.257 ( -4.147 0.000 0.505) 4.177 3.307 ( -6.030 0.000 -0.317) 6.038 3.336 ( -2.293 0.000 2.505) 3.397 3.395 ( -1.088 0.000 -1.079) 1.532 3.441 ( -4.141 0.000 -1.936) 4.571 3.482 ( -0.273 0.000 2.632) 2.646 3.508 ( -1.878 0.000 -0.071) 1.879 3.565 ( -2.186 0.000 -1.126) 2.459 3.605 ( -2.999 0.000 -1.325) 3.279 3.613 ( -4.381 0.000 -0.614) 4.424 3.675 ( -1.578 0.000 0.362) 1.619 3.690 ( -5.164 0.000 0.312) 5.173 3.738 ( -1.879 0.000 2.525) 3.148 3.833 ( -3.014 0.000 0.632) 3.080 3.836 ( -4.157 0.000 -2.385) 4.793 4.000 ( -1.432 0.000 0.545) 1.532 4.017 ( -2.358 0.000 -2.412) 3.373 4.041 ( -2.697 0.000 -0.631) 2.770 4.055 ( 0.200 0.000 -1.459) 1.473 4.210 ( -1.081 0.000 -1.526) 1.870 4.219 ( 0.513 0.000 1.983) 2.048 4.260 ( -3.791 0.000 -2.231) 4.399 4.344 ( 0.350 0.000 -0.768) 0.844 4.363 ( -2.706 0.000 -0.465) 2.745 4.439 ( -2.678 0.000 0.921) 2.832 4.472 ( -2.992 0.000 1.218) 3.230 4.508 ( 1.634 0.000 3.114) 3.517 4.626 ( -0.171 0.000 0.040) 0.175 4.659 ( -2.711 0.000 -0.966) 2.878 4.775 ( -1.597 0.000 -2.810) 3.232 4.825 ( -2.489 0.000 -1.635) 2.978 4.857 ( 2.220 0.000 2.889) 3.643 4.890 ( -1.194 0.000 -2.053) 2.375 4.951 ( -0.715 0.000 1.721) 1.863 5.008 ( 3.321 0.000 -2.765) 4.321 5.015 ( 0.637 0.000 1.030) 1.211 5.089 ( 1.344 0.000 1.191) 1.796 5.113 ( 1.692 0.000 2.503) 3.021 5.126 ( 2.085 0.000 0.102) 2.087 5.229 ( -0.136 0.000 0.926) 0.936 5.234 ( -0.409 0.000 -1.572) 1.624 5.258 ( 0.172 0.000 0.070) 0.185 5.270 ( 0.494 0.000 -0.618) 0.791 5.322 ( -2.669 0.000 -3.088) 4.081 5.354 ( -2.381 0.000 1.087) 2.617 5.364 ( -1.830 0.000 1.879) 2.623 5.416 ( -2.395 0.000 -2.127) 3.203 5.540 ( 2.238 0.000 3.257) 3.952 5.610 ( 1.468 0.000 -1.126) 1.850 5.692 ( 1.279 0.000 0.297) 1.313 5.696 ( 0.597 0.000 0.976) 1.144 5.851 ( 4.640 0.000 1.016) 4.750 5.873 ( 3.430 0.000 -1.139) 3.614 6.597 ( -1.331 0.000 1.131) 1.747 6.627 ( -1.509 0.000 -1.024) 1.824 6.651 ( -3.479 0.000 1.239) 3.693 6.901 ( -3.410 0.000 0.306) 3.424 6.922 ( 2.282 0.000 -2.862) 3.661 6.958 ( -0.191 0.000 1.381) 1.395 6.981 ( -2.708 0.000 -0.948) 2.869 7.044 ( -1.944 0.000 1.335) 2.358 7.083 ( 0.742 0.000 0.942) 1.199 7.126 ( -0.211 0.000 -1.095) 1.115 7.177 ( -1.777 0.000 -3.139) 3.607 7.221 ( -0.415 0.000 2.097) 2.138======================= Grid point 52 (23/54) =======================q-point: (-0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.292 ( -15.943 0.000 -0.365) 15.948 0.342 ( -15.785 0.000 4.829) 16.507 0.559 ( -18.553 0.000 17.360) 25.408 0.907 ( -6.236 0.000 -1.362) 6.383 0.959 ( 2.120 0.000 -6.315) 6.661 1.103 ( 1.192 0.000 1.187) 1.682 1.211 ( 7.432 0.000 -0.268) 7.437 1.212 ( 3.881 0.000 0.961) 3.998 1.251 ( 1.683 0.000 1.298) 2.126 1.313 ( 3.245 0.000 -0.014) 3.245 1.320 ( 4.821 0.000 -0.677) 4.868 1.445 ( 5.171 0.000 -3.524) 6.257 1.500 ( -0.255 0.000 1.517) 1.539 1.535 ( -5.476 0.000 1.766) 5.753 1.577 ( 3.031 0.000 -3.635) 4.733 1.582 ( -3.509 0.000 -4.419) 5.643 1.613 ( 0.978 0.000 -0.447) 1.075 1.627 ( 11.729 0.000 0.137) 11.730 1.713 ( 4.496 0.000 -1.384) 4.704 1.800 ( 3.884 0.000 -3.728) 5.384 1.814 ( 3.082 0.000 -0.534) 3.128 1.866 ( 7.511 0.000 0.082) 7.512 1.887 ( 5.014 0.000 2.322) 5.525 1.931 ( -4.160 0.000 1.322) 4.365 1.992 ( -0.310 0.000 0.985) 1.033 2.009 ( 3.658 0.000 -1.316) 3.888 2.165 ( 5.473 0.000 1.039) 5.571 2.169 ( 0.108 0.000 -1.508) 1.512 2.361 ( 1.418 0.000 -0.393) 1.471 2.361 ( 0.522 0.000 2.005) 2.072 2.436 ( -1.944 0.000 1.078) 2.223 2.462 ( -1.862 0.000 1.220) 2.226 2.474 ( 0.563 0.000 1.455) 1.560 2.596 ( -0.360 0.000 2.871) 2.894 2.635 ( 5.478 0.000 -2.715) 6.114 2.673 ( 3.185 0.000 -0.833) 3.293 2.744 ( 3.342 0.000 -1.232) 3.562 2.789 ( 3.212 0.000 -0.601) 3.268 2.843 ( -2.009 0.000 -1.311) 2.399 2.855 ( 1.886 0.000 -3.255) 3.762 3.096 ( 0.636 0.000 0.418) 0.761 3.150 ( -3.659 0.000 -1.412) 3.922 3.173 ( -3.108 0.000 -1.445) 3.427 3.185 ( 1.659 0.000 2.368) 2.891 3.211 ( -3.464 0.000 1.150) 3.650 3.305 ( -8.621 0.000 -0.410) 8.631 3.309 ( -3.432 0.000 2.266) 4.113 3.320 ( -3.692 0.000 -1.146) 3.866 3.431 ( -6.449 0.000 -4.186) 7.689 3.459 ( -3.329 0.000 0.113) 3.331 3.520 ( -0.203 0.000 -3.386) 3.392 3.541 ( -1.019 0.000 -2.940) 3.112 3.570 ( -1.211 0.000 1.345) 1.810 3.626 ( -4.248 0.000 -0.802) 4.323 3.655 ( -1.039 0.000 0.048) 1.040 3.699 ( -3.178 0.000 0.029) 3.179 3.788 ( 1.566 0.000 0.597) 1.676 3.804 ( -0.858 0.000 -0.755) 1.143 3.953 ( -0.674 0.000 -0.538) 0.862 3.975 ( -1.629 0.000 3.317) 3.696 4.015 ( -1.361 0.000 3.775) 4.013 4.034 ( -2.119 0.000 3.160) 3.805 4.182 ( -0.418 0.000 -1.104) 1.181 4.185 ( -1.495 0.000 -0.686) 1.645 4.266 ( 1.612 0.000 2.446) 2.929 4.324 ( -0.923 0.000 -0.197) 0.943 4.352 ( -0.517 0.000 -0.527) 0.738 4.377 ( -3.131 0.000 -0.452) 3.163 4.448 ( -0.969 0.000 1.160) 1.511 4.534 ( -0.255 0.000 -2.911) 2.922 4.571 ( -3.557 0.000 -1.698) 3.942 4.652 ( 2.230 0.000 1.068) 2.473 4.734 ( -0.817 0.000 -0.057) 0.819 4.750 ( -3.282 0.000 -1.788) 3.738 4.855 ( -0.709 0.000 0.127) 0.721 4.932 ( 0.559 0.000 2.412) 2.476 4.968 ( 1.152 0.000 1.953) 2.267 5.042 ( 2.225 0.000 -1.312) 2.583 5.064 ( 2.727 0.000 4.749) 5.476 5.120 ( 2.074 0.000 1.213) 2.402 5.170 ( 1.512 0.000 -1.768) 2.326 5.174 ( 1.712 0.000 1.775) 2.466 5.199 ( -1.459 0.000 -0.749) 1.640 5.217 ( -0.872 0.000 -2.815) 2.947 5.249 ( -0.801 0.000 -0.651) 1.032 5.253 ( -1.768 0.000 0.322) 1.797 5.280 ( 0.076 0.000 0.031) 0.082 5.339 ( -0.118 0.000 -1.479) 1.484 5.363 ( 0.485 0.000 4.445) 4.471 5.376 ( 0.175 0.000 1.940) 1.948 5.575 ( -0.569 0.000 1.061) 1.203 5.614 ( 0.689 0.000 -1.223) 1.404 5.714 ( 0.081 0.000 -0.799) 0.803 5.724 ( 1.091 0.000 0.075) 1.094 5.922 ( 2.875 0.000 -0.517) 2.921 5.930 ( 2.736 0.000 0.742) 2.835 6.593 ( -1.183 0.000 -0.410) 1.252 6.609 ( -2.293 0.000 1.339) 2.655 6.633 ( 2.887 0.000 8.204) 8.697 6.846 ( -2.613 0.000 0.264) 2.626 6.895 ( -1.322 0.000 -2.435) 2.771 6.949 ( -1.271 0.000 0.594) 1.403 6.961 ( 1.267 0.000 -2.211) 2.548 7.037 ( -5.129 0.000 -5.532) 7.544 7.039 ( -0.497 0.000 1.880) 1.944 7.112 ( 0.235 0.000 -1.280) 1.302 7.152 ( 0.872 0.000 0.833) 1.207 7.234 ( -0.460 0.000 1.530) 1.598======================= Grid point 53 (24/54) =======================q-point: ( 0.00 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.439 ( -2.035 11.075 10.985) 15.731 0.458 ( 1.877 12.285 10.658) 16.372 0.842 ( 0.573 18.189 12.193) 21.905 0.886 ( -2.483 6.537 -6.187) 9.337 0.919 ( 1.381 8.581 -5.306) 10.183 1.136 ( -3.324 -4.665 3.369) 6.646 1.172 ( 4.060 -3.892 4.305) 7.083 1.251 ( 2.215 -0.973 -2.994) 3.849 1.331 ( -1.763 -0.063 -2.545) 3.097 1.348 ( 2.716 -1.581 -3.650) 4.817 1.389 ( 0.578 5.920 1.080) 6.045 1.432 ( -5.786 1.487 -0.799) 6.027 1.490 ( 0.372 4.619 -2.259) 5.155 1.539 ( -3.362 3.714 -2.739) 5.710 1.578 ( 5.447 1.921 -2.408) 6.258 1.660 ( 4.084 1.684 -1.532) 4.675 1.684 ( -0.653 0.185 -1.851) 1.972 1.696 ( 1.050 2.063 -1.470) 2.742 1.754 ( -1.781 0.584 0.467) 1.932 1.786 ( -1.404 -0.648 -3.050) 3.420 1.883 ( -1.903 2.354 0.130) 3.030 1.933 ( 3.809 2.591 0.870) 4.688 1.943 ( -0.443 0.706 1.147) 1.418 1.963 ( -0.890 1.068 0.443) 1.459 1.982 ( -2.364 0.581 2.099) 3.214 2.035 ( 0.002 -0.633 -0.318) 0.709 2.130 ( 0.802 -3.716 1.213) 3.991 2.178 ( -0.271 -2.287 -1.514) 2.756 2.359 ( -1.301 -0.361 0.263) 1.376 2.385 ( -0.685 -0.754 -0.248) 1.049 2.425 ( 1.545 -0.416 0.470) 1.668 2.432 ( -2.078 -2.423 0.270) 3.203 2.491 ( 0.524 0.779 4.368) 4.467 2.569 ( -1.852 -0.935 -0.033) 2.075 2.639 ( 0.416 -2.809 -1.844) 3.386 2.658 ( 1.460 -1.919 -2.091) 3.192 2.739 ( -3.503 -1.734 -2.311) 4.541 2.772 ( -0.076 -1.450 -1.791) 2.305 2.819 ( 1.886 -1.876 1.650) 3.130 2.873 ( 2.236 -4.033 0.740) 4.671 3.035 ( -0.067 -0.835 -0.310) 0.894 3.062 ( 1.686 -1.861 0.106) 2.513 3.087 ( -3.276 -1.559 -2.095) 4.190 3.097 ( -1.075 -2.332 -1.406) 2.927 3.181 ( -0.048 -0.983 0.667) 1.189 3.208 ( -0.953 -0.551 2.038) 2.316 3.226 ( 0.746 -1.694 1.734) 2.537 3.275 ( -0.386 -0.260 -1.961) 2.016 3.366 ( -0.723 0.696 0.106) 1.009 3.410 ( 1.201 -3.058 -0.530) 3.328 3.430 ( -0.332 -1.062 0.597) 1.263 3.463 ( 0.773 -4.170 -1.005) 4.359 3.546 ( 0.698 -1.917 0.726) 2.165 3.588 ( 0.154 -1.547 -1.966) 2.506 3.634 ( -1.144 -2.174 -0.235) 2.468 3.641 ( -0.486 0.852 -0.106) 0.986 3.760 ( -1.048 -0.991 -1.531) 2.103 3.787 ( 0.506 -1.446 -1.249) 1.976 3.941 ( 2.774 -5.715 3.234) 7.129 3.970 ( -0.827 -6.704 3.183) 7.467 4.013 ( 1.489 -2.061 5.854) 6.383 4.035 ( 0.705 -1.773 5.353) 5.682 4.159 ( 0.775 0.022 -0.780) 1.100 4.207 ( 1.645 -1.045 2.440) 3.122 4.255 ( -2.119 -1.413 0.265) 2.561 4.282 ( 0.736 -2.707 0.309) 2.822 4.349 ( -0.421 0.393 0.227) 0.619 4.363 ( -0.271 1.542 -0.302) 1.594 4.484 ( 0.168 2.136 -3.005) 3.691 4.492 ( -1.004 5.812 -2.671) 6.475 4.619 ( 1.692 2.222 -0.846) 2.918 4.675 ( -0.369 -1.180 -2.458) 2.752 4.749 ( -0.514 3.327 0.195) 3.373 4.798 ( 1.607 3.618 0.814) 4.042 4.887 ( -1.060 -0.009 -1.808) 2.095 4.954 ( -1.113 1.564 -3.114) 3.659 5.003 ( 0.701 -0.471 3.433) 3.536 5.046 ( -1.948 -1.080 -0.158) 2.233 5.117 ( -0.913 -1.905 -1.511) 2.597 5.134 ( 1.728 -0.459 -2.985) 3.479 5.155 ( -0.955 2.407 -0.782) 2.705 5.192 ( -1.274 1.491 -1.313) 2.360 5.215 ( 1.093 1.378 -1.771) 2.496 5.217 ( 1.185 2.534 -0.181) 2.803 5.272 ( 0.279 3.159 0.945) 3.309 5.288 ( 0.779 2.967 0.221) 3.075 5.346 ( 0.396 3.056 0.943) 3.222 5.383 ( 0.288 1.643 0.160) 1.675 5.431 ( -1.518 2.196 4.501) 5.233 5.482 ( 0.937 0.322 0.991) 1.402 5.532 ( -1.908 -1.244 -1.006) 2.490 5.586 ( 1.155 -1.268 -1.900) 2.560 5.742 ( -0.175 5.447 0.154) 5.452 5.772 ( 0.183 4.354 -0.975) 4.466 5.952 ( 0.587 -0.568 0.647) 1.043 5.959 ( -0.683 -0.469 0.485) 0.960 6.587 ( -1.268 0.435 0.658) 1.494 6.604 ( 0.598 1.885 -0.131) 1.982 6.678 ( -2.343 -5.100 6.802) 8.818 6.821 ( 0.447 -1.525 -0.348) 1.627 6.846 ( 1.495 -2.878 0.085) 3.245 6.869 ( 0.339 -0.607 -0.501) 0.857 6.952 ( 1.567 0.210 -0.934) 1.836 6.974 ( -0.735 -0.465 -0.717) 1.127 7.144 ( -0.135 3.088 0.141) 3.094 7.185 ( 0.582 4.988 -1.944) 5.385 7.225 ( -1.565 0.285 0.232) 1.607 7.256 ( 3.393 2.435 -2.216) 4.728======================= Grid point 54 (25/54) =======================q-point: ( 0.12 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.515 ( -2.454 7.905 12.719) 15.175 0.646 ( 5.885 7.845 6.631) 11.838 0.741 ( -1.694 4.995 -6.127) 8.085 0.838 ( 3.847 9.048 -9.905) 13.956 1.097 ( -2.650 -4.334 3.771) 6.326 1.172 ( 6.194 9.337 8.403) 14.005 1.208 ( -4.462 -2.010 -1.546) 5.132 1.219 ( -9.409 -0.641 -0.807) 9.465 1.270 ( -0.661 0.382 0.431) 0.877 1.295 ( -2.179 1.195 0.538) 2.543 1.346 ( -1.643 0.676 -3.796) 4.192 1.422 ( -0.765 1.731 -0.325) 1.921 1.431 ( 2.039 3.393 -0.546) 3.996 1.513 ( -1.135 2.046 -1.280) 2.667 1.564 ( 1.767 2.293 0.691) 2.977 1.612 ( -4.356 1.143 -0.885) 4.590 1.646 ( -2.759 2.260 -3.031) 4.680 1.665 ( -0.481 1.619 -2.848) 3.311 1.737 ( -1.271 1.758 -2.067) 2.996 1.752 ( -4.772 4.476 0.039) 6.543 1.800 ( 0.088 0.822 -0.113) 0.835 1.916 ( -3.683 0.361 2.088) 4.248 1.940 ( -4.037 -0.400 0.463) 4.083 1.945 ( -2.292 -0.362 1.869) 2.980 1.973 ( -4.657 0.548 -1.973) 5.087 2.008 ( 0.845 1.399 0.932) 1.881 2.084 ( -4.805 -1.981 -0.094) 5.198 2.168 ( 0.028 -3.543 -1.372) 3.799 2.319 ( -2.781 -0.054 -0.269) 2.794 2.362 ( -0.973 -1.223 1.225) 1.986 2.414 ( -0.482 -1.751 1.182) 2.167 2.458 ( 0.128 -0.638 0.325) 0.727 2.497 ( -1.506 1.986 1.849) 3.104 2.559 ( -0.990 -0.710 2.428) 2.717 2.579 ( -3.149 -0.624 -2.618) 4.142 2.653 ( -2.459 -1.509 1.018) 3.060 2.685 ( 0.634 -2.786 -1.615) 3.282 2.733 ( -2.354 -1.573 -0.468) 2.870 2.811 ( -3.398 -3.201 -1.114) 4.799 2.833 ( -2.689 -3.415 -2.052) 4.806 3.057 ( 2.123 -1.402 0.856) 2.685 3.102 ( 4.419 -2.066 -0.272) 4.886 3.131 ( 2.170 -1.880 0.041) 2.871 3.172 ( 5.673 -2.573 1.116) 6.328 3.222 ( 2.515 -0.841 -0.246) 2.663 3.248 ( 3.414 -1.951 0.517) 3.966 3.283 ( 4.901 -1.475 0.141) 5.120 3.327 ( 5.802 0.659 -0.002) 5.839 3.401 ( 4.425 -0.771 0.027) 4.492 3.446 ( 3.418 -3.461 -1.201) 5.010 3.457 ( 3.121 1.286 -0.930) 3.501 3.504 ( 4.333 -1.927 -0.029) 4.742 3.575 ( 1.198 -2.851 -1.563) 3.465 3.609 ( 4.150 -1.847 -0.759) 4.606 3.616 ( 0.167 1.036 1.811) 2.093 3.656 ( 1.724 -0.170 0.437) 1.787 3.755 ( 1.123 -1.037 0.061) 1.530 3.791 ( 1.742 -0.983 -1.159) 2.312 3.953 ( -1.065 -6.185 0.205) 6.280 4.006 ( 0.359 -5.770 2.541) 6.315 4.079 ( 0.838 -2.034 2.942) 3.674 4.120 ( 2.594 -4.430 2.003) 5.510 4.162 ( -3.086 -1.636 -3.520) 4.959 4.174 ( 1.231 0.098 0.026) 1.236 4.292 ( 0.383 -1.156 4.139) 4.314 4.329 ( 1.921 -1.709 1.738) 3.103 4.347 ( 1.770 -0.561 0.204) 1.868 4.358 ( 0.535 -0.585 -1.256) 1.485 4.451 ( 0.355 5.280 -2.894) 6.031 4.463 ( 0.556 4.870 -1.776) 5.213 4.612 ( -0.497 1.243 -1.493) 2.006 4.709 ( 4.448 -1.192 -1.123) 4.740 4.737 ( -1.024 4.347 0.496) 4.494 4.817 ( 1.729 3.404 -1.085) 3.970 4.871 ( -1.755 1.008 -0.230) 2.037 4.935 ( 1.914 -2.042 1.291) 3.082 5.003 ( -2.958 -0.416 1.088) 3.179 5.039 ( -0.374 -2.027 3.059) 3.689 5.086 ( -0.804 0.114 -1.516) 1.720 5.107 ( -1.489 0.870 -1.007) 1.997 5.126 ( -0.965 2.399 -0.622) 2.659 5.172 ( 0.553 0.648 -1.283) 1.540 5.214 ( -0.744 2.266 0.218) 2.395 5.237 ( 0.957 2.526 -0.542) 2.755 5.275 ( -0.100 0.149 -1.738) 1.747 5.311 ( 1.216 4.485 -0.106) 4.648 5.353 ( -1.887 2.207 0.134) 2.906 5.378 ( 0.163 3.372 0.516) 3.415 5.397 ( -3.969 1.953 1.802) 4.777 5.449 ( -1.284 0.353 1.811) 2.248 5.518 ( -0.194 -0.343 0.839) 0.927 5.600 ( 0.672 -1.688 -1.743) 2.517 5.740 ( -0.766 4.399 0.163) 4.468 5.767 ( 0.010 4.900 -0.612) 4.938 5.913 ( -4.056 0.035 0.229) 4.062 5.949 ( -1.861 -0.318 0.541) 1.964 6.585 ( 0.555 0.580 0.581) 0.991 6.635 ( 2.219 1.399 0.494) 2.669 6.692 ( -1.532 -2.975 5.319) 6.285 6.833 ( 1.024 -2.404 -1.681) 3.107 6.877 ( 1.742 -1.667 -0.997) 2.609 6.896 ( 2.479 -1.747 -0.716) 3.116 6.939 ( 0.140 1.336 -1.095) 1.733 6.991 ( 1.865 -0.837 -0.138) 2.049 7.136 ( -0.750 3.278 -0.149) 3.366 7.163 ( -1.465 4.691 -0.729) 4.968 7.192 ( -0.714 1.054 -0.656) 1.432 7.267 ( 0.053 0.531 0.136) 0.551======================= Grid point 55 (26/54) =======================q-point: ( 0.25 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.568 ( -3.817 5.665 7.924) 10.462 0.637 ( 1.886 5.362 -3.986) 6.943 0.804 ( -5.363 3.222 2.044) 6.582 0.864 ( 7.004 5.135 -6.048) 10.583 0.964 ( -10.325 -1.724 1.161) 10.532 1.040 ( -8.001 0.274 0.932) 8.060 1.091 ( -4.798 -5.684 3.057) 8.042 1.121 ( -4.119 0.720 1.114) 4.327 1.245 ( -5.141 2.108 0.367) 5.568 1.319 ( 0.092 1.906 0.499) 1.973 1.376 ( -7.209 -0.637 0.744) 7.275 1.396 ( -1.547 6.194 0.200) 6.387 1.408 ( 0.729 2.505 -0.334) 2.630 1.449 ( 0.629 1.276 0.266) 1.447 1.542 ( -3.385 0.275 -3.920) 5.187 1.605 ( -4.002 -0.870 -2.674) 4.891 1.637 ( 2.327 3.097 -2.214) 4.462 1.679 ( 2.565 1.958 -2.090) 3.844 1.700 ( 2.877 0.728 0.717) 3.054 1.727 ( 1.204 1.270 0.752) 1.905 1.782 ( -3.171 0.068 1.021) 3.332 1.805 ( -4.825 2.612 -2.300) 5.949 1.858 ( 0.766 2.860 -0.226) 2.969 1.899 ( -0.235 3.027 -0.019) 3.036 1.951 ( -0.129 -1.202 1.193) 1.698 2.005 ( -0.779 0.121 -0.076) 0.792 2.055 ( 0.165 -1.499 1.169) 1.908 2.129 ( -1.182 -3.773 -1.880) 4.378 2.286 ( -1.378 0.788 1.753) 2.365 2.345 ( -2.845 0.757 1.713) 3.407 2.387 ( -3.586 -1.448 -0.507) 3.901 2.476 ( 1.105 -0.982 0.477) 1.554 2.518 ( -1.344 1.031 2.349) 2.896 2.527 ( 0.080 -0.493 -0.887) 1.018 2.565 ( -0.272 -1.194 2.089) 2.421 2.612 ( -1.628 1.679 2.549) 3.459 2.664 ( -2.649 -2.994 -0.737) 4.065 2.689 ( -4.182 -3.904 -0.855) 5.785 2.729 ( -1.378 -1.597 -0.156) 2.115 2.785 ( -0.824 -3.386 -0.524) 3.524 3.128 ( 2.941 -3.626 2.529) 5.309 3.140 ( 0.246 -1.944 0.561) 2.038 3.166 ( 1.520 -0.370 -2.763) 3.175 3.227 ( 0.864 -2.503 -1.892) 3.255 3.255 ( 1.302 -0.990 1.869) 2.484 3.329 ( 4.392 0.245 -0.238) 4.406 3.356 ( 2.845 0.446 0.964) 3.037 3.409 ( 1.997 0.003 -0.309) 2.021 3.486 ( 4.599 -1.550 0.416) 4.871 3.502 ( 3.723 0.323 -1.169) 3.915 3.524 ( 2.431 -1.410 0.069) 2.811 3.588 ( 3.431 -0.417 -1.290) 3.689 3.600 ( 2.708 -1.744 -0.438) 3.250 3.661 ( 4.932 0.516 1.337) 5.135 3.682 ( 3.656 -1.469 -0.095) 3.941 3.729 ( 4.491 -0.171 1.103) 4.628 3.790 ( 2.413 -0.655 -0.284) 2.516 3.830 ( 3.182 -0.246 -0.440) 3.222 3.947 ( 0.876 -4.687 -1.208) 4.919 4.026 ( -0.028 -4.658 0.141) 4.660 4.068 ( -0.370 -3.546 -1.748) 3.971 4.113 ( 0.420 -1.665 -0.650) 1.836 4.147 ( 0.595 -3.002 -1.893) 3.598 4.212 ( 1.819 -0.401 0.645) 1.971 4.302 ( 0.823 -3.976 -1.242) 4.246 4.348 ( 1.592 -0.442 -1.146) 2.010 4.405 ( 1.621 -0.603 2.423) 2.977 4.434 ( 3.208 1.122 4.886) 5.952 4.460 ( 1.494 1.857 -2.021) 3.125 4.464 ( 2.709 3.737 0.237) 4.622 4.632 ( 2.536 2.755 1.038) 3.886 4.720 ( -0.054 3.135 -2.254) 3.861 4.749 ( 0.431 0.177 0.530) 0.706 4.789 ( -1.644 0.793 -2.164) 2.831 4.899 ( 1.627 1.622 1.487) 2.737 4.928 ( -2.744 0.527 -1.028) 2.977 4.988 ( -1.684 -0.269 1.600) 2.339 5.036 ( -1.231 0.020 -0.803) 1.470 5.059 ( -0.377 1.304 -0.543) 1.462 5.100 ( 0.548 -0.301 2.167) 2.255 5.132 ( 0.214 0.236 1.442) 1.477 5.162 ( -0.133 -0.115 -0.386) 0.424 5.196 ( -1.443 0.755 -0.372) 1.671 5.235 ( -0.492 2.819 -1.481) 3.222 5.250 ( 0.190 -0.591 -0.828) 1.035 5.299 ( -1.453 1.523 -1.220) 2.433 5.344 ( 1.134 3.763 -0.090) 3.931 5.360 ( -0.115 4.227 -0.655) 4.279 5.394 ( 0.590 0.766 0.469) 1.075 5.456 ( 0.541 1.262 -0.215) 1.390 5.520 ( -1.275 -0.309 2.386) 2.722 5.588 ( -1.000 -2.002 -0.142) 2.242 5.723 ( -0.843 3.208 0.248) 3.326 5.751 ( -1.663 4.822 -0.146) 5.103 5.839 ( -3.756 0.311 0.556) 3.810 5.900 ( -3.365 0.247 -0.307) 3.388 6.609 ( 1.272 0.163 0.339) 1.327 6.675 ( 1.169 -0.731 1.141) 1.790 6.731 ( 0.650 -0.917 3.819) 3.981 6.788 ( -0.910 -0.684 -5.357) 5.476 6.916 ( 2.383 -0.048 0.804) 2.515 6.925 ( 2.289 -0.235 -1.060) 2.533 6.966 ( 1.785 -1.449 -0.155) 2.304 7.027 ( 1.679 -1.653 0.324) 2.378 7.116 ( -1.352 3.895 0.695) 4.181 7.148 ( 0.847 2.419 -0.316) 2.582 7.189 ( 0.773 1.974 -0.775) 2.257 7.272 ( 0.281 -0.157 0.103) 0.338======================= Grid point 56 (27/54) =======================q-point: ( 0.38 0.20 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( -13.634 7.526 0.652) 15.587 0.520 ( -15.886 4.320 1.462) 16.527 0.770 ( 3.344 -1.429 1.672) 4.003 0.797 ( -3.571 0.205 2.147) 4.172 0.935 ( -2.485 -1.340 0.762) 2.925 1.000 ( 4.557 2.769 -1.361) 5.504 1.048 ( -1.497 -3.494 0.268) 3.811 1.089 ( -3.907 -1.860 -0.033) 4.327 1.166 ( -3.509 0.144 0.880) 3.621 1.257 ( -10.348 -0.254 -4.328) 11.220 1.296 ( -4.365 2.430 4.473) 6.706 1.313 ( -1.772 1.292 3.540) 4.164 1.419 ( -0.332 4.823 -0.503) 4.861 1.425 ( 1.513 -1.272 -0.279) 1.996 1.466 ( -1.644 1.380 1.142) 2.432 1.551 ( 0.159 5.641 -2.618) 6.221 1.623 ( -5.601 1.949 0.382) 5.943 1.660 ( 1.111 0.608 -4.230) 4.415 1.717 ( 4.042 2.489 -3.875) 6.128 1.722 ( 0.469 2.085 -0.151) 2.142 1.777 ( 1.916 -1.786 -0.216) 2.628 1.840 ( 4.275 1.017 1.519) 4.649 1.908 ( 3.564 2.916 -1.736) 4.921 1.932 ( 2.246 1.071 -0.994) 2.680 1.996 ( -0.221 -3.245 2.559) 4.138 2.034 ( 6.457 0.766 1.067) 6.590 2.092 ( 3.170 -1.670 0.643) 3.640 2.129 ( 2.715 -1.840 -0.498) 3.318 2.257 ( -6.005 -0.239 -1.423) 6.176 2.300 ( -2.353 -1.031 0.947) 2.738 2.328 ( -0.641 2.360 2.019) 3.171 2.420 ( -7.552 0.969 1.070) 7.689 2.488 ( -1.287 -0.799 -0.604) 1.631 2.516 ( -2.172 -1.280 -0.112) 2.524 2.552 ( -1.441 0.091 -1.764) 2.280 2.597 ( -1.296 -0.342 -1.856) 2.290 2.634 ( -1.407 -1.727 1.352) 2.606 2.659 ( -0.841 -2.583 3.573) 4.489 2.733 ( 0.197 -1.486 0.695) 1.652 2.781 ( -0.120 -2.594 0.868) 2.738 3.131 ( 0.188 -1.029 -1.702) 1.997 3.148 ( -0.159 -0.494 -0.086) 0.526 3.176 ( 0.885 -1.352 -2.548) 3.017 3.235 ( 0.789 -4.136 1.755) 4.562 3.298 ( 1.461 0.231 1.648) 2.215 3.377 ( 0.098 2.933 1.126) 3.143 3.405 ( 1.876 -0.996 0.283) 2.143 3.435 ( 1.350 -1.507 -0.644) 2.124 3.520 ( 1.075 0.042 -1.645) 1.965 3.530 ( 0.167 -2.128 1.027) 2.369 3.590 ( 3.804 -0.723 0.175) 3.876 3.611 ( 1.368 0.419 0.135) 1.437 3.648 ( 1.646 -2.136 0.486) 2.740 3.719 ( 0.830 -1.047 1.287) 1.855 3.753 ( 2.484 1.737 -0.856) 3.150 3.801 ( 1.603 -1.231 -1.008) 2.259 3.852 ( 4.277 0.045 1.388) 4.497 3.897 ( 3.317 0.821 0.272) 3.427 3.956 ( 1.798 -2.108 -0.954) 2.931 4.017 ( 0.085 -2.582 -1.046) 2.787 4.083 ( 1.284 -3.068 -0.284) 3.338 4.104 ( 1.287 -4.350 -1.748) 4.862 4.151 ( -0.087 -1.077 0.553) 1.214 4.248 ( 1.054 -1.476 -0.314) 1.841 4.301 ( 1.508 -2.310 -1.309) 3.054 4.364 ( 1.464 -0.883 -1.837) 2.509 4.452 ( 1.671 -3.289 0.993) 3.820 4.469 ( 0.911 -2.716 -0.926) 3.011 4.518 ( 2.300 5.427 0.471) 5.914 4.538 ( 1.769 3.442 2.041) 4.376 4.686 ( 1.466 2.320 -0.581) 2.805 4.698 ( -0.224 1.630 -0.100) 1.649 4.735 ( 0.048 -0.891 1.445) 1.698 4.794 ( 1.553 -0.284 1.458) 2.148 4.853 ( -3.655 2.688 -1.067) 4.661 4.901 ( -1.953 3.726 0.546) 4.242 4.965 ( -0.459 0.230 -0.586) 0.779 5.023 ( 0.402 -0.952 -0.424) 1.117 5.043 ( -0.673 1.748 -0.512) 1.942 5.108 ( -1.252 0.928 -1.173) 1.951 5.137 ( 0.186 0.250 -0.096) 0.326 5.171 ( 0.964 -0.963 -1.102) 1.753 5.175 ( -1.005 1.612 0.177) 1.908 5.221 ( 0.149 0.774 0.711) 1.062 5.248 ( -0.120 -1.363 0.227) 1.387 5.283 ( -0.009 1.359 0.753) 1.553 5.337 ( 0.333 1.948 -1.495) 2.478 5.389 ( 1.086 1.970 1.190) 2.545 5.414 ( 0.775 0.589 0.590) 1.138 5.466 ( 1.375 2.514 -0.429) 2.898 5.523 ( -0.957 0.030 1.652) 1.909 5.549 ( -2.951 -0.764 0.572) 3.101 5.711 ( -1.834 3.741 -0.094) 4.168 5.726 ( 0.687 2.267 -0.136) 2.373 5.791 ( -2.459 0.359 0.578) 2.552 5.832 ( -2.724 0.671 -1.383) 3.128 6.630 ( 0.763 -0.394 -0.076) 0.862 6.702 ( 0.189 -2.228 1.731) 2.828 6.734 ( 0.372 1.105 -4.124) 4.285 6.773 ( 0.890 0.332 1.563) 1.829 6.950 ( 0.848 -1.018 0.003) 1.325 6.960 ( 1.368 -1.202 0.204) 1.833 6.991 ( 1.225 -0.270 0.100) 1.258 7.052 ( 0.534 -1.888 1.287) 2.347 7.104 ( -0.605 3.257 0.270) 3.324 7.179 ( 1.882 2.514 -0.134) 3.143 7.198 ( 0.874 1.279 -0.653) 1.681 7.275 ( 0.346 -0.197 -0.756) 0.855======================= Grid point 57 (28/54) =======================q-point: (-0.50 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.267 ( 0.813 11.641 -2.103) 11.857 0.309 ( 1.095 9.420 -3.637) 10.157 0.733 ( -3.658 -2.475 4.366) 6.211 0.855 ( -1.863 -3.904 -0.350) 4.339 0.901 ( -1.070 1.656 3.004) 3.593 1.012 ( 0.198 -3.080 -2.700) 4.100 1.025 ( 1.392 -4.584 -0.817) 4.859 1.079 ( -1.129 -3.481 -1.498) 3.955 1.102 ( -4.213 1.381 0.195) 4.438 1.136 ( 6.724 1.480 -0.871) 6.940 1.294 ( -0.742 6.166 2.433) 6.670 1.341 ( -1.248 -0.072 5.078) 5.230 1.421 ( -3.128 6.376 1.361) 7.231 1.429 ( 0.533 5.172 0.189) 5.203 1.490 ( 3.229 -2.969 2.226) 4.920 1.527 ( 1.321 5.900 -4.105) 7.308 1.560 ( -1.424 4.466 0.952) 4.783 1.652 ( 2.418 -0.084 -2.924) 3.795 1.719 ( -0.338 1.925 0.200) 1.964 1.747 ( 1.572 -0.908 -3.205) 3.684 1.820 ( 1.487 0.352 0.952) 1.800 1.887 ( 0.467 2.122 -2.107) 3.027 1.930 ( -1.716 -2.353 2.121) 3.603 1.982 ( 2.338 -0.400 1.701) 2.919 2.015 ( -0.492 -3.062 0.070) 3.102 2.058 ( -2.667 1.199 -2.884) 4.107 2.186 ( 5.214 -0.089 -0.231) 5.219 2.196 ( -4.955 -2.398 -0.402) 5.520 2.210 ( 3.397 0.875 2.087) 4.082 2.261 ( 1.158 -0.026 -0.331) 1.205 2.310 ( -1.916 0.948 1.728) 2.749 2.343 ( -0.051 0.964 4.055) 4.168 2.453 ( -0.821 -0.822 -1.772) 2.119 2.468 ( -2.122 -1.040 0.802) 2.495 2.534 ( 0.692 1.470 -2.914) 3.336 2.562 ( 1.182 0.164 -2.519) 2.787 2.612 ( -0.946 -3.172 0.631) 3.370 2.663 ( -1.603 -2.681 2.380) 3.927 2.705 ( -2.450 -1.180 -1.636) 3.174 2.783 ( 0.385 -3.236 -0.983) 3.404 3.133 ( -0.409 -1.590 0.064) 1.643 3.160 ( 0.508 -0.531 -0.959) 1.208 3.177 ( 2.218 -0.589 0.884) 2.459 3.236 ( -1.174 -2.080 -0.261) 2.402 3.333 ( -0.081 -0.383 2.131) 2.167 3.380 ( -0.180 1.767 0.593) 1.872 3.412 ( -0.703 -1.709 -0.123) 1.852 3.442 ( 0.258 -1.458 -0.799) 1.683 3.524 ( 1.035 0.158 -1.813) 2.093 3.536 ( -0.223 -0.481 -0.071) 0.535 3.647 ( -0.073 0.213 3.052) 3.061 3.658 ( 1.341 0.324 2.274) 2.660 3.665 ( 0.255 -2.042 0.469) 2.110 3.723 ( -0.779 -1.295 0.964) 1.792 3.766 ( 0.212 0.654 -1.441) 1.597 3.806 ( -0.054 -1.324 -1.551) 2.040 3.874 ( -1.207 0.060 0.696) 1.394 3.953 ( 0.483 0.554 0.252) 0.777 3.977 ( 0.797 -1.935 0.359) 2.124 4.005 ( -0.049 -0.642 -0.973) 1.167 4.108 ( 0.319 -1.988 -1.492) 2.505 4.117 ( 0.283 -1.033 0.437) 1.156 4.155 ( 1.146 -3.036 1.530) 3.587 4.225 ( -0.697 -2.117 -2.381) 3.261 4.358 ( 1.431 -1.697 -0.086) 2.222 4.360 ( 0.794 -3.560 0.439) 3.674 4.422 ( -2.541 -1.754 -3.811) 4.905 4.470 ( -0.903 -3.182 -1.462) 3.616 4.525 ( -0.213 2.454 0.084) 2.464 4.549 ( -1.006 3.303 -0.225) 3.460 4.693 ( 1.159 1.333 0.835) 1.954 4.725 ( -2.537 3.175 0.493) 4.094 4.749 ( 3.082 0.520 1.133) 3.324 4.792 ( -2.589 1.568 -0.312) 3.043 4.862 ( 2.683 0.563 3.532) 4.471 4.899 ( 0.441 4.067 2.102) 4.599 4.965 ( 0.717 0.093 0.050) 0.725 5.017 ( -1.041 -1.302 -0.606) 1.774 5.040 ( 1.064 1.349 -1.160) 2.073 5.084 ( 0.195 1.791 -0.907) 2.017 5.111 ( -0.675 1.557 -2.479) 3.004 5.138 ( -1.714 1.428 -1.614) 2.754 5.183 ( 0.353 -2.087 0.369) 2.148 5.220 ( 0.402 -1.958 -1.633) 2.581 5.281 ( 0.394 1.091 2.029) 2.337 5.300 ( 0.496 1.587 2.388) 2.910 5.330 ( 0.563 2.634 -0.211) 2.702 5.415 ( 0.426 -0.060 1.075) 1.158 5.424 ( -0.196 0.707 0.183) 0.756 5.478 ( -0.214 1.916 -0.371) 1.963 5.513 ( -1.962 0.883 0.933) 2.345 5.521 ( 0.379 -0.219 0.679) 0.808 5.691 ( 0.110 2.886 0.132) 2.891 5.734 ( -0.123 1.424 -1.157) 1.839 5.758 ( -0.727 0.972 0.398) 1.278 5.797 ( 0.776 0.761 -1.394) 1.768 6.635 ( -0.125 -0.332 -0.045) 0.358 6.696 ( -0.332 0.501 -1.759) 1.859 6.723 ( -1.192 -1.496 0.990) 2.154 6.801 ( 1.964 -0.549 -0.263) 2.056 6.955 ( -0.636 -0.917 0.623) 1.278 6.970 ( 0.102 -1.084 -0.228) 1.113 7.015 ( 0.555 -0.167 1.104) 1.247 7.067 ( -0.224 -2.003 0.424) 2.059 7.100 ( -0.337 3.709 1.012) 3.859 7.184 ( -0.046 2.536 -1.602) 3.000 7.215 ( 0.463 0.503 0.664) 0.953 7.267 ( -0.186 0.032 -1.444) 1.457======================= Grid point 58 (29/54) =======================q-point: (-0.38 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.476 ( 18.866 4.819 0.269) 19.474 0.526 ( 16.435 5.765 0.587) 17.427 0.713 ( -2.639 -3.068 4.163) 5.806 0.867 ( 2.921 -2.099 -0.622) 3.651 0.904 ( -0.300 2.178 4.775) 5.257 0.947 ( -5.860 0.653 -3.586) 6.901 1.044 ( 2.302 0.723 -1.261) 2.723 1.127 ( 6.551 0.757 0.088) 6.595 1.150 ( 8.316 -5.590 0.693) 10.044 1.208 ( 1.112 0.965 0.844) 1.697 1.346 ( -1.688 5.073 2.526) 5.913 1.354 ( 3.280 2.763 -0.807) 4.364 1.377 ( 0.123 4.616 2.168) 5.101 1.441 ( -2.809 3.978 2.846) 5.640 1.524 ( 4.575 5.169 -4.175) 8.067 1.571 ( 4.698 -0.701 -2.275) 5.267 1.609 ( 3.938 0.208 0.694) 4.004 1.669 ( -4.107 0.299 -1.913) 4.541 1.682 ( 1.244 1.619 0.986) 2.267 1.723 ( -0.650 2.760 -3.730) 4.685 1.796 ( -3.818 -0.267 -2.375) 4.505 1.860 ( -0.686 0.943 0.317) 1.208 1.898 ( -3.380 2.844 0.159) 4.420 1.918 ( -4.547 -2.612 -1.246) 5.390 2.003 ( -6.287 -0.785 -0.296) 6.343 2.043 ( -0.669 -1.907 3.165) 3.755 2.104 ( 3.025 -3.441 -1.356) 4.777 2.170 ( -4.251 -0.188 0.713) 4.314 2.221 ( 1.286 2.383 -0.741) 2.807 2.318 ( 3.419 1.118 1.981) 4.107 2.376 ( 1.476 -0.507 1.876) 2.441 2.429 ( 2.442 -0.751 -0.063) 2.556 2.440 ( 1.382 1.162 2.381) 2.988 2.476 ( 1.279 -0.693 -2.024) 2.492 2.540 ( 1.168 1.359 -2.030) 2.708 2.552 ( 1.432 -0.443 -0.996) 1.799 2.634 ( 1.678 -3.211 2.237) 4.258 2.678 ( 2.326 -4.089 -0.520) 4.733 2.708 ( 3.587 -3.380 4.408) 6.613 2.783 ( 1.074 -3.757 -1.304) 4.120 3.119 ( -1.322 -1.761 -0.502) 2.258 3.135 ( -3.682 -1.751 -0.496) 4.108 3.173 ( 0.641 0.839 -1.341) 1.707 3.259 ( 1.009 -1.816 1.245) 2.422 3.325 ( -2.649 -1.335 1.146) 3.180 3.377 ( -0.507 -1.110 0.171) 1.232 3.396 ( -1.828 0.088 -0.012) 1.830 3.442 ( 0.877 -0.550 0.621) 1.207 3.509 ( -1.207 0.371 -2.070) 2.425 3.524 ( -0.268 -0.230 -0.676) 0.762 3.633 ( -3.049 0.865 1.651) 3.573 3.646 ( -3.082 -1.197 0.115) 3.308 3.684 ( -0.699 -0.673 2.812) 2.974 3.712 ( -3.239 0.056 -1.779) 3.696 3.744 ( -1.993 -2.938 1.145) 3.731 3.750 ( -2.165 -0.287 -1.706) 2.771 3.868 ( -2.104 -0.365 2.165) 3.041 3.908 ( -3.788 -0.941 -0.923) 4.011 3.978 ( -1.142 -2.381 -0.256) 2.653 4.013 ( 1.244 -1.001 -1.122) 1.951 4.068 ( -3.339 -2.101 -0.875) 4.041 4.097 ( -0.952 0.416 -0.530) 1.166 4.173 ( -0.449 -1.177 -1.490) 1.951 4.218 ( 0.525 -3.152 -0.602) 3.252 4.309 ( -3.785 -3.182 -1.453) 5.154 4.360 ( 0.545 -1.646 0.994) 1.999 4.378 ( -2.834 -1.721 -1.608) 3.685 4.437 ( -0.551 -3.354 0.590) 3.450 4.514 ( -1.707 3.210 0.225) 3.642 4.535 ( -0.122 3.610 1.563) 3.935 4.671 ( -2.356 1.774 0.189) 2.955 4.741 ( -1.717 1.760 -0.874) 2.609 4.760 ( 3.309 3.097 2.005) 4.956 4.817 ( 2.049 -0.544 0.896) 2.302 4.902 ( -2.109 1.559 -1.327) 2.940 4.920 ( 0.836 1.207 1.301) 1.962 4.973 ( -0.863 -0.467 -0.456) 1.082 4.981 ( -0.419 -0.509 -0.091) 0.666 5.053 ( 1.189 2.249 0.465) 2.586 5.062 ( 1.016 2.793 -3.388) 4.506 5.098 ( -0.713 0.981 -0.956) 1.544 5.133 ( 1.950 1.437 1.926) 3.094 5.191 ( 0.263 -1.824 0.123) 1.847 5.220 ( 1.032 -1.266 -1.537) 2.243 5.283 ( -0.290 2.106 0.032) 2.126 5.313 ( 0.303 2.365 -0.331) 2.407 5.363 ( -0.245 0.847 2.703) 2.843 5.400 ( -1.222 -0.094 -2.600) 2.874 5.420 ( -1.710 3.040 1.594) 3.835 5.464 ( -0.676 0.822 -0.567) 1.206 5.490 ( -0.383 0.726 2.012) 2.173 5.570 ( 2.743 -0.212 0.945) 2.909 5.699 ( 0.652 2.255 0.009) 2.348 5.728 ( 0.608 2.963 -0.254) 3.035 5.775 ( 2.538 0.419 0.144) 2.576 5.824 ( 2.983 0.422 -1.112) 3.211 6.623 ( -1.224 0.181 0.112) 1.242 6.672 ( -0.719 0.837 -1.315) 1.716 6.690 ( -2.991 -1.020 0.793) 3.258 6.839 ( 2.478 -3.116 -0.992) 4.103 6.938 ( -1.776 -0.575 0.472) 1.925 6.965 ( -0.713 -0.259 0.336) 0.830 7.027 ( -1.006 -0.127 1.394) 1.724 7.050 ( -0.948 -0.284 -0.945) 1.368 7.111 ( -0.064 2.924 1.983) 3.533 7.161 ( -0.588 1.752 -1.376) 2.304 7.221 ( -0.492 0.553 0.933) 1.191 7.239 ( -0.989 0.464 -1.986) 2.266======================= Grid point 59 (30/54) =======================q-point: (-0.25 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.584 ( -10.180 4.086 6.929) 12.975 0.646 ( -11.097 6.449 -2.676) 13.111 0.858 ( 7.065 -0.461 2.120) 7.390 0.889 ( 16.638 2.928 -2.696) 17.107 0.965 ( 8.888 1.168 -1.956) 9.176 1.046 ( 8.228 -1.595 0.500) 8.396 1.094 ( 0.658 2.583 0.282) 2.680 1.154 ( -4.422 11.824 -0.001) 12.624 1.221 ( -3.531 0.457 4.684) 5.883 1.275 ( 4.791 2.462 0.651) 5.425 1.336 ( 3.089 -2.264 -1.565) 4.137 1.377 ( -1.973 3.212 -3.878) 5.408 1.456 ( 3.081 3.065 1.483) 4.593 1.472 ( 11.061 -2.608 2.055) 11.549 1.533 ( -3.328 0.179 1.822) 3.799 1.585 ( -0.707 1.979 -0.335) 2.128 1.620 ( 5.769 3.264 -4.541) 8.035 1.659 ( -1.437 -2.270 -3.910) 4.744 1.689 ( 2.448 2.006 -0.252) 3.175 1.746 ( 2.749 1.273 -0.274) 3.042 1.756 ( 4.285 1.436 -0.409) 4.537 1.820 ( -1.579 1.224 0.334) 2.025 1.852 ( 0.083 3.485 0.241) 3.494 1.893 ( 2.264 0.442 -0.146) 2.311 1.977 ( 0.866 -0.605 -0.111) 1.062 2.039 ( 0.343 -2.962 1.358) 3.276 2.074 ( -5.299 0.862 -0.623) 5.405 2.147 ( 2.816 -3.522 -2.409) 5.113 2.301 ( 3.771 0.139 1.708) 4.142 2.365 ( -0.053 1.483 0.691) 1.637 2.403 ( -0.223 -1.419 3.293) 3.592 2.446 ( 1.114 -1.958 -0.986) 2.459 2.476 ( 0.657 0.008 0.237) 0.699 2.518 ( 4.399 0.800 1.729) 4.793 2.557 ( 1.926 0.315 0.762) 2.095 2.594 ( 2.356 -1.363 0.869) 2.857 2.688 ( 1.527 -1.607 0.989) 2.427 2.718 ( 1.562 -5.004 -0.916) 5.321 2.784 ( 2.456 -5.081 -1.520) 5.844 2.837 ( 2.352 -3.733 1.045) 4.534 3.056 ( -1.197 -0.336 0.577) 1.370 3.117 ( 0.153 -1.544 0.608) 1.666 3.180 ( 0.751 0.604 -0.884) 1.307 3.238 ( -5.122 -0.724 0.651) 5.214 3.256 ( -4.167 -3.908 -0.452) 5.731 3.348 ( -2.971 -0.937 0.030) 3.116 3.369 ( -1.607 -2.200 0.462) 2.764 3.443 ( -3.913 0.973 -1.261) 4.225 3.466 ( -1.323 -1.746 1.491) 2.650 3.502 ( -1.808 -1.113 -0.797) 2.268 3.553 ( -5.051 -1.563 -1.316) 5.448 3.583 ( -3.717 0.469 0.725) 3.816 3.628 ( -2.527 -0.475 -1.236) 2.853 3.659 ( -5.037 -0.661 -0.868) 5.154 3.691 ( -2.523 0.028 2.205) 3.351 3.721 ( -3.265 -1.552 1.817) 4.046 3.807 ( -3.746 -1.283 -1.637) 4.285 3.830 ( -3.613 -1.753 0.307) 4.028 3.947 ( -1.798 -4.110 -0.166) 4.489 3.974 ( -1.865 -1.917 -2.327) 3.545 4.025 ( -1.955 -2.719 0.866) 3.459 4.049 ( -3.329 -1.083 -3.918) 5.254 4.181 ( 0.448 -0.531 -0.930) 1.161 4.196 ( 0.389 -1.751 1.503) 2.340 4.233 ( -3.622 -1.277 -0.337) 3.855 4.318 ( -1.368 -1.609 -0.429) 2.155 4.395 ( -0.625 -1.766 1.663) 2.505 4.414 ( -2.196 -2.328 0.571) 3.251 4.494 ( -0.766 5.157 0.334) 5.224 4.555 ( 0.024 4.699 1.813) 5.036 4.648 ( -0.513 0.884 0.495) 1.136 4.708 ( -0.969 2.776 -1.220) 3.183 4.786 ( -3.353 -1.366 -1.309) 3.850 4.812 ( -0.497 0.814 -3.076) 3.220 4.877 ( 2.303 1.196 2.393) 3.530 4.940 ( 1.430 2.232 -0.449) 2.689 4.979 ( 0.543 -0.396 -0.632) 0.922 4.982 ( 0.797 2.590 3.132) 4.141 5.062 ( 1.872 1.309 -2.576) 3.443 5.089 ( 1.083 2.663 1.832) 3.409 5.113 ( 2.085 1.790 0.961) 2.912 5.186 ( 2.184 1.926 0.392) 2.938 5.190 ( -0.063 -1.413 -1.039) 1.755 5.217 ( 0.508 -1.274 -1.020) 1.709 5.277 ( -0.583 2.024 -0.059) 2.107 5.315 ( 0.031 1.649 -0.970) 1.913 5.332 ( -1.973 1.042 -1.875) 2.915 5.363 ( -1.725 1.026 0.951) 2.221 5.406 ( -1.228 3.823 1.662) 4.345 5.427 ( -2.136 1.056 -1.598) 2.869 5.528 ( 0.923 -0.578 2.081) 2.348 5.617 ( 1.876 -0.003 0.107) 1.879 5.723 ( 1.250 3.515 0.512) 3.765 5.747 ( 1.827 3.760 -0.136) 4.183 5.851 ( 4.355 0.068 1.161) 4.507 5.872 ( 3.215 -0.191 -1.105) 3.405 6.601 ( -1.432 0.366 1.124) 1.857 6.642 ( -2.937 -0.370 0.899) 3.094 6.644 ( -1.408 1.283 -0.336) 1.934 6.861 ( 1.336 -4.745 -1.997) 5.319 6.898 ( -2.890 -0.125 0.150) 2.897 6.949 ( -1.641 -1.236 0.165) 2.061 6.989 ( -2.194 1.167 -0.993) 2.676 7.032 ( -1.666 -0.465 1.064) 2.030 7.136 ( 0.796 2.763 1.035) 3.056 7.148 ( 0.634 2.341 -0.664) 2.515 7.199 ( -0.537 1.830 -2.497) 3.142 7.224 ( -0.371 0.320 1.568) 1.643======================= Grid point 60 (31/54) =======================q-point: (-0.12 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.398 ( -7.514 11.490 1.607) 13.823 0.479 ( -9.675 10.796 6.960) 16.081 0.840 ( -10.874 20.658 6.314) 24.184 0.940 ( -0.510 4.101 0.054) 4.133 1.010 ( 0.488 0.865 -8.330) 8.389 1.116 ( -1.414 2.189 1.791) 3.162 1.145 ( 0.651 -4.835 1.799) 5.200 1.221 ( 4.359 0.739 -0.885) 4.509 1.290 ( 8.657 3.035 -0.350) 9.181 1.315 ( 3.852 -0.154 -0.486) 3.886 1.383 ( -0.026 4.289 0.786) 4.361 1.411 ( 8.251 -0.832 -1.578) 8.442 1.504 ( -3.140 0.083 3.234) 4.508 1.534 ( 1.153 -0.617 -4.424) 4.613 1.563 ( -0.892 2.507 -1.150) 2.898 1.597 ( 5.712 1.509 -1.021) 5.995 1.630 ( 3.546 -0.011 -0.441) 3.574 1.696 ( 1.485 5.034 -2.206) 5.693 1.778 ( 8.454 2.338 -0.289) 8.776 1.796 ( 5.202 1.082 -3.790) 6.527 1.817 ( -0.507 1.017 -0.041) 1.137 1.840 ( 3.485 -0.200 3.270) 4.783 1.917 ( 3.449 2.149 0.544) 4.099 1.948 ( 0.295 1.008 1.638) 1.946 1.995 ( 0.479 0.154 0.392) 0.638 2.006 ( 1.542 -0.064 -0.981) 1.829 2.090 ( 2.647 -4.678 0.614) 5.409 2.168 ( 2.424 -2.137 -1.809) 3.703 2.365 ( 0.775 -0.123 0.149) 0.798 2.373 ( 1.740 0.582 1.334) 2.268 2.414 ( -0.859 -2.345 1.626) 2.980 2.455 ( 0.270 0.129 1.102) 1.142 2.468 ( -2.977 -0.299 0.118) 2.994 2.580 ( -0.466 -2.042 2.231) 3.060 2.617 ( 5.187 -2.483 -3.154) 6.559 2.641 ( 1.200 -1.670 0.920) 2.253 2.730 ( 3.333 -1.010 -0.897) 3.596 2.746 ( 3.395 -3.281 0.606) 4.760 2.806 ( 2.399 -4.014 -2.582) 5.342 2.822 ( -1.602 -2.595 -1.267) 3.302 3.079 ( -0.185 -1.316 0.231) 1.349 3.121 ( -3.761 -3.026 -0.490) 4.852 3.140 ( -2.787 -1.294 0.617) 3.134 3.166 ( -2.961 -2.585 1.121) 4.088 3.190 ( -0.545 -0.362 -0.518) 0.835 3.265 ( -6.502 -2.344 0.260) 6.917 3.301 ( -6.861 -1.456 0.853) 7.065 3.348 ( -4.671 -2.051 -1.918) 5.450 3.409 ( -2.437 0.948 0.534) 2.669 3.429 ( -5.442 -3.054 0.258) 6.245 3.484 ( -4.093 1.296 -0.549) 4.328 3.509 ( -4.700 -2.113 -2.147) 5.582 3.562 ( -2.553 -4.325 0.262) 5.030 3.593 ( 0.358 -0.255 -1.529) 1.591 3.655 ( -2.573 -0.315 0.886) 2.739 3.669 ( -1.963 -1.506 0.438) 2.513 3.775 ( 0.410 -1.264 0.419) 1.393 3.800 ( -0.571 -1.210 -0.599) 1.466 3.911 ( -1.414 -3.374 -1.682) 4.026 3.944 ( -0.643 -3.017 2.023) 3.689 3.959 ( -2.423 -3.182 2.872) 4.924 4.007 ( -1.509 -3.063 2.811) 4.423 4.163 ( -0.127 -0.083 -1.122) 1.132 4.188 ( -1.091 -0.092 0.308) 1.137 4.242 ( 1.061 -1.785 1.704) 2.686 4.299 ( -0.867 -1.720 0.201) 1.937 4.369 ( -2.275 -0.115 0.204) 2.287 4.383 ( -1.721 0.570 0.392) 1.855 4.488 ( 0.408 3.582 -0.788) 3.691 4.543 ( -1.653 3.545 -1.758) 4.288 4.638 ( -0.820 3.241 -1.863) 3.827 4.683 ( 0.380 0.625 -0.559) 0.920 4.758 ( 0.495 1.789 1.399) 2.324 4.771 ( -1.009 0.759 -1.779) 2.182 4.928 ( 0.002 1.789 -0.810) 1.964 4.949 ( 1.220 1.676 1.435) 2.521 4.982 ( 0.305 0.728 -0.698) 1.054 5.061 ( 1.596 -0.170 0.469) 1.672 5.100 ( 3.484 3.787 -1.832) 5.462 5.141 ( 3.329 0.206 0.269) 3.346 5.154 ( 0.869 -0.146 1.549) 1.782 5.174 ( 2.204 2.372 -1.986) 3.798 5.191 ( 0.333 -0.179 -0.204) 0.430 5.241 ( 0.862 2.143 -1.969) 3.035 5.270 ( 0.199 2.150 1.639) 2.711 5.280 ( -2.040 1.523 0.777) 2.662 5.321 ( 1.219 0.945 -0.359) 1.584 5.356 ( 0.234 2.020 1.779) 2.701 5.378 ( -0.243 2.849 -0.273) 2.872 5.416 ( 0.004 3.723 2.153) 4.301 5.543 ( -0.308 -1.695 0.605) 1.825 5.631 ( -0.272 -0.725 -1.373) 1.576 5.743 ( 0.508 4.324 0.029) 4.354 5.777 ( 0.788 3.947 -0.271) 4.034 5.918 ( 2.609 -0.465 -0.355) 2.674 5.930 ( 2.723 -0.071 1.032) 2.913 6.602 ( -0.800 0.275 1.083) 1.374 6.611 ( -1.655 0.011 1.963) 2.568 6.625 ( -0.693 0.742 3.578) 3.720 6.841 ( -1.474 -2.721 -1.906) 3.635 6.853 ( -1.371 -1.745 -0.076) 2.220 6.903 ( -2.818 -1.653 -0.374) 3.288 6.954 ( -0.481 0.448 -1.523) 1.659 7.003 ( -1.909 -1.090 -0.050) 2.199 7.142 ( 0.191 2.801 -0.098) 2.809 7.181 ( 3.029 5.352 -2.772) 6.745 7.189 ( 1.883 2.932 -0.020) 3.484 7.236 ( -0.254 0.175 1.316) 1.352======================= Grid point 61 (32/54) =======================q-point: ( 0.00 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.676 ( -2.734 11.830 6.297) 13.677 0.716 ( 1.379 12.927 6.686) 14.618 0.871 ( -1.700 -6.065 0.671) 6.335 0.963 ( 1.280 -11.215 4.363) 12.102 1.090 ( 1.475 8.446 -8.554) 12.111 1.168 ( -1.273 3.763 -3.403) 5.230 1.193 ( 1.788 2.261 -3.160) 4.277 1.253 ( -0.549 -2.557 -4.384) 5.105 1.301 ( 3.144 7.431 0.610) 8.092 1.365 ( 0.639 2.271 0.449) 2.402 1.453 ( -3.793 1.582 1.743) 4.464 1.527 ( -0.558 4.072 -0.469) 4.137 1.543 ( 1.896 -1.827 -0.221) 2.643 1.586 ( -0.740 0.452 0.443) 0.973 1.626 ( -0.592 4.014 -1.826) 4.449 1.673 ( -0.169 -0.078 -1.450) 1.462 1.696 ( 4.744 1.737 1.101) 5.170 1.729 ( -0.069 -0.890 -2.402) 2.562 1.768 ( -2.700 1.488 0.670) 3.155 1.791 ( -0.311 0.272 -1.646) 1.697 1.916 ( 0.696 1.104 3.000) 3.271 1.949 ( -0.645 0.082 3.749) 3.805 1.973 ( -1.227 -0.210 0.353) 1.294 1.990 ( -1.468 1.122 -0.130) 1.852 2.017 ( -0.139 3.260 -2.183) 3.926 2.028 ( 0.076 0.920 0.505) 1.052 2.068 ( 0.658 -2.341 -0.539) 2.490 2.105 ( 0.708 -4.836 -2.680) 5.574 2.331 ( -0.923 -1.670 -0.073) 1.910 2.346 ( -1.854 -3.370 1.296) 4.059 2.390 ( 0.970 1.527 -1.137) 2.136 2.427 ( 1.174 -1.397 -1.182) 2.174 2.516 ( 0.463 1.569 3.779) 4.117 2.551 ( -0.792 -1.173 2.523) 2.893 2.579 ( 1.490 -1.053 -0.884) 2.028 2.614 ( -1.012 -2.635 0.213) 2.830 2.715 ( -1.767 -0.277 -1.827) 2.557 2.737 ( -0.227 -1.992 -1.595) 2.562 2.782 ( 1.136 -1.029 0.856) 1.755 2.796 ( 0.691 -2.647 0.837) 2.860 3.023 ( 0.541 -0.246 -0.251) 0.645 3.031 ( 1.109 -1.053 0.038) 1.530 3.053 ( -2.514 -1.249 -1.574) 3.218 3.053 ( -1.364 -1.445 -1.086) 2.265 3.174 ( 0.814 0.521 0.762) 1.231 3.192 ( -1.005 -1.337 1.803) 2.459 3.199 ( 0.079 -0.151 0.076) 0.186 3.239 ( 2.234 -3.460 -0.764) 4.189 3.357 ( -3.011 0.539 -1.119) 3.257 3.382 ( -0.996 -0.539 -1.755) 2.089 3.413 ( 0.704 0.037 0.884) 1.130 3.436 ( 1.383 -0.507 -0.425) 1.534 3.496 ( 1.192 -0.958 -0.199) 1.542 3.536 ( -1.319 -3.748 -2.174) 4.529 3.617 ( -0.024 1.081 0.844) 1.371 3.644 ( -0.453 -0.945 -0.129) 1.056 3.731 ( -0.806 -0.849 -2.035) 2.348 3.746 ( -0.136 -2.050 -2.070) 2.917 3.876 ( 2.213 -1.343 1.860) 3.188 3.879 ( 0.557 -1.988 2.229) 3.039 3.989 ( 1.576 -0.182 5.611) 5.831 4.002 ( 1.647 -1.323 5.044) 5.469 4.172 ( -0.303 0.884 -0.396) 1.015 4.186 ( -0.315 -0.668 0.089) 0.744 4.244 ( -0.038 0.169 1.570) 1.579 4.256 ( 0.575 -0.905 1.674) 1.988 4.355 ( -1.308 0.429 0.153) 1.385 4.367 ( -1.191 -0.620 0.122) 1.349 4.545 ( 1.287 3.136 -3.194) 4.657 4.573 ( 0.779 1.382 -4.803) 5.059 4.642 ( -0.396 0.203 -1.235) 1.313 4.651 ( -1.709 -0.775 -0.954) 2.105 4.798 ( 0.962 1.697 1.872) 2.703 4.820 ( 1.758 -0.454 2.879) 3.404 4.925 ( -2.220 2.863 -2.699) 4.518 4.969 ( -1.868 -0.747 -3.630) 4.150 5.003 ( -0.230 0.632 0.835) 1.072 5.024 ( -1.760 -1.234 0.790) 2.290 5.083 ( 0.953 -0.545 -0.855) 1.391 5.099 ( 1.396 -1.709 -1.496) 2.666 5.203 ( -0.793 1.270 -1.389) 2.042 5.208 ( -1.356 0.513 -0.806) 1.658 5.240 ( 0.730 0.944 -1.778) 2.141 5.250 ( 1.826 0.233 -1.945) 2.678 5.340 ( -0.146 3.018 1.679) 3.456 5.363 ( 1.007 3.918 2.098) 4.557 5.374 ( 0.875 -0.196 1.727) 1.946 5.413 ( -1.019 -0.212 0.491) 1.150 5.470 ( 0.709 2.020 2.254) 3.109 5.501 ( -0.174 -0.190 -0.057) 0.264 5.518 ( -0.341 1.143 -0.531) 1.305 5.557 ( -0.152 -1.832 -0.692) 1.964 5.848 ( -0.188 4.345 -0.368) 4.365 5.858 ( 0.181 3.484 -0.815) 3.583 5.934 ( 0.552 -1.339 0.827) 1.667 5.938 ( -0.653 -1.609 0.628) 1.847 6.599 ( -1.190 0.778 1.818) 2.308 6.619 ( -1.082 -1.391 3.622) 4.028 6.660 ( 0.495 3.319 -0.542) 3.399 6.739 ( 1.057 -4.594 -1.393) 4.916 6.841 ( 0.087 0.522 0.458) 0.700 6.854 ( 0.259 -0.759 0.007) 0.802 6.959 ( 0.707 0.429 -0.479) 0.956 6.967 ( 0.069 -0.326 -0.470) 0.576 7.197 ( -0.630 2.138 0.670) 2.327 7.223 ( -1.007 -0.525 0.308) 1.176 7.254 ( 0.661 2.194 -0.884) 2.456 7.277 ( 1.312 -0.163 -1.459) 1.969======================= Grid point 62 (33/54) =======================q-point: ( 0.12 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.697 ( -1.904 9.475 7.048) 11.962 0.824 ( -0.996 -0.321 -0.594) 1.203 0.852 ( 3.686 11.447 5.712) 13.314 0.987 ( 0.077 1.175 -4.107) 4.272 1.041 ( -3.647 5.254 -2.842) 6.999 1.094 ( -4.346 -6.623 -3.494) 8.657 1.119 ( -4.608 -6.745 -2.694) 8.602 1.183 ( -2.006 -6.563 -3.201) 7.572 1.347 ( -3.407 3.801 -0.093) 5.106 1.370 ( -0.462 2.687 -1.056) 2.924 1.465 ( -1.184 5.523 2.289) 6.095 1.468 ( -1.277 4.706 2.003) 5.272 1.524 ( -0.788 4.248 1.555) 4.592 1.552 ( -4.127 1.469 -2.269) 4.933 1.605 ( -0.746 0.109 0.367) 0.839 1.621 ( -0.451 1.558 0.926) 1.868 1.659 ( -2.381 -0.998 -3.007) 3.963 1.683 ( -1.496 -1.009 -0.552) 1.887 1.795 ( 0.780 3.651 -0.965) 3.856 1.819 ( 0.345 0.965 0.515) 1.147 1.856 ( -7.245 4.517 0.195) 8.540 1.910 ( -6.110 -1.563 1.350) 6.450 1.935 ( -2.036 0.077 1.747) 2.684 1.951 ( -3.055 1.458 1.620) 3.753 1.996 ( -2.104 -0.741 0.353) 2.258 2.010 ( -0.629 1.214 -1.097) 1.753 2.029 ( -3.033 -2.805 -0.541) 4.167 2.087 ( -0.327 -4.580 -1.854) 4.952 2.324 ( -0.241 0.708 0.315) 0.811 2.339 ( 0.662 -1.019 2.114) 2.438 2.392 ( 0.728 0.537 -1.930) 2.132 2.431 ( 0.185 -2.182 -1.651) 2.743 2.531 ( -1.549 1.231 1.728) 2.627 2.552 ( -1.907 -0.397 2.875) 3.473 2.578 ( -2.638 0.612 -0.733) 2.806 2.605 ( 1.019 -2.067 0.321) 2.327 2.649 ( -2.845 -0.450 0.130) 2.883 2.685 ( -2.666 -3.329 -0.720) 4.325 2.745 ( -4.157 -1.458 -0.386) 4.423 2.767 ( -3.240 -2.783 -0.632) 4.318 3.036 ( 1.293 -0.254 0.488) 1.405 3.057 ( 2.068 -2.191 0.365) 3.035 3.103 ( 4.515 -0.236 0.597) 4.561 3.123 ( 5.589 -2.045 0.758) 6.000 3.200 ( 3.503 -0.772 -2.159) 4.187 3.209 ( 3.425 -1.596 -0.660) 3.836 3.281 ( 6.205 1.625 0.888) 6.475 3.333 ( 6.873 -1.567 -0.830) 7.098 3.361 ( 2.666 -1.406 1.518) 3.375 3.388 ( 2.968 -1.478 0.300) 3.329 3.489 ( 4.523 0.856 -1.170) 4.750 3.505 ( 5.626 0.022 -0.450) 5.644 3.512 ( 2.227 -0.372 -0.975) 2.460 3.561 ( 6.085 -2.842 -0.319) 6.724 3.631 ( 0.623 0.319 1.617) 1.762 3.640 ( 0.425 -0.825 -0.111) 0.935 3.725 ( 1.466 -0.975 -0.165) 1.769 3.743 ( 1.756 -2.562 -0.993) 3.261 3.897 ( 0.460 -0.117 -0.372) 0.603 3.920 ( 1.069 -2.496 0.319) 2.734 4.049 ( -0.237 -0.766 1.711) 1.890 4.060 ( 0.322 -1.757 1.031) 2.063 4.153 ( -0.859 0.775 -0.977) 1.514 4.174 ( 0.725 -0.662 0.377) 1.052 4.275 ( -0.954 0.648 1.284) 1.726 4.302 ( 0.893 -1.506 1.897) 2.581 4.346 ( 1.284 -0.101 1.251) 1.796 4.346 ( 1.301 -0.246 1.739) 2.186 4.528 ( 0.103 2.124 -4.442) 4.924 4.532 ( -0.283 1.721 -4.004) 4.368 4.636 ( 1.332 1.504 0.622) 2.103 4.673 ( 3.211 -1.978 0.346) 3.787 4.823 ( -1.372 3.670 0.530) 3.954 4.862 ( -1.037 0.671 -0.970) 1.570 4.892 ( 0.386 0.303 0.296) 0.573 4.896 ( 1.266 -1.457 0.939) 2.146 4.999 ( -1.550 -0.140 0.654) 1.688 5.008 ( -1.158 -1.031 1.594) 2.223 5.091 ( 0.719 0.752 -1.098) 1.512 5.108 ( 0.573 -0.569 -0.820) 1.151 5.167 ( -1.406 1.396 -0.682) 2.096 5.180 ( -0.568 -0.028 -0.860) 1.031 5.242 ( 0.146 1.160 -1.261) 1.720 5.260 ( 0.630 -0.537 -2.010) 2.173 5.322 ( -2.726 3.777 0.740) 4.716 5.369 ( -1.567 -0.124 0.029) 1.572 5.389 ( 0.090 1.543 1.419) 2.098 5.402 ( -0.854 -0.057 1.428) 1.665 5.470 ( -1.453 2.064 0.580) 2.590 5.481 ( -1.016 4.642 -0.290) 4.761 5.508 ( -0.095 -0.852 0.581) 1.035 5.561 ( 0.330 -2.805 -1.238) 3.083 5.827 ( -1.715 3.718 -0.233) 4.101 5.851 ( -0.660 2.502 -0.352) 2.611 5.909 ( -2.790 0.010 0.408) 2.820 5.934 ( -1.415 -1.360 0.657) 2.070 6.603 ( -0.087 1.205 1.530) 1.949 6.633 ( -0.741 -1.877 2.854) 3.495 6.685 ( 2.370 2.741 0.077) 3.624 6.755 ( 1.891 -4.194 -1.682) 4.898 6.867 ( 2.041 0.349 0.381) 2.105 6.879 ( 2.265 -0.704 -0.374) 2.401 6.963 ( 0.603 0.957 -1.083) 1.566 6.978 ( 1.351 -0.599 -0.693) 1.632 7.186 ( -1.167 1.640 0.725) 2.140 7.199 ( -1.692 0.189 0.490) 1.772 7.244 ( -0.526 2.446 -0.956) 2.678 7.270 ( -0.434 -0.412 -0.553) 0.815======================= Grid point 63 (34/54) =======================q-point: ( 0.25 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( -4.503 7.198 1.904) 8.701 0.790 ( -0.883 8.172 -0.296) 8.225 0.827 ( -12.594 -3.734 -0.220) 13.138 0.943 ( -0.773 -2.146 0.015) 2.282 0.966 ( -4.904 -1.584 1.732) 5.437 0.988 ( -4.667 4.574 -2.609) 7.036 1.036 ( -0.742 -0.091 1.439) 1.622 1.125 ( -1.453 -2.583 0.691) 3.043 1.248 ( -5.826 0.390 0.252) 5.844 1.294 ( -5.947 -2.477 1.093) 6.535 1.380 ( -7.045 1.143 -0.139) 7.139 1.409 ( -4.498 -1.109 0.199) 4.637 1.484 ( -1.391 2.980 -1.359) 3.559 1.534 ( -5.080 -1.935 -3.427) 6.426 1.588 ( 1.351 6.449 -1.071) 6.675 1.629 ( 1.464 1.621 -0.136) 2.189 1.681 ( 3.309 2.283 1.072) 4.160 1.700 ( 0.192 1.156 -0.799) 1.418 1.741 ( -0.799 2.323 -0.711) 2.557 1.763 ( -3.179 2.559 -0.252) 4.089 1.788 ( -3.501 0.225 0.227) 3.515 1.849 ( 0.117 -0.604 1.161) 1.314 1.899 ( -1.568 0.774 0.273) 1.770 1.921 ( -2.468 -0.486 2.311) 3.416 1.968 ( -0.242 -1.667 -0.662) 1.810 1.978 ( 0.240 2.341 -0.028) 2.353 2.016 ( 1.078 -1.408 -0.780) 1.937 2.069 ( 0.985 -2.407 -1.533) 3.019 2.312 ( -1.528 1.781 -1.218) 2.643 2.351 ( -2.341 -1.875 -1.259) 3.253 2.381 ( -0.587 3.024 0.712) 3.161 2.446 ( 1.573 -2.614 -0.293) 3.065 2.513 ( -1.084 -0.278 1.087) 1.560 2.530 ( -1.152 -1.185 2.454) 2.959 2.552 ( -0.782 0.838 1.153) 1.626 2.598 ( -2.778 -3.669 -1.460) 4.828 2.631 ( -0.418 1.018 0.737) 1.324 2.653 ( -2.997 1.797 1.257) 3.714 2.683 ( -1.042 -3.021 3.439) 4.694 2.706 ( -0.813 -3.547 -1.353) 3.883 3.069 ( 0.950 -1.047 1.761) 2.258 3.093 ( 0.561 -2.863 1.980) 3.526 3.164 ( 2.507 0.412 -1.791) 3.108 3.185 ( 1.881 -1.588 -1.803) 3.051 3.259 ( 3.630 1.415 0.193) 3.901 3.301 ( 5.245 -2.468 -0.271) 5.802 3.372 ( 3.913 1.993 -0.975) 4.499 3.422 ( 3.201 0.126 -1.005) 3.357 3.438 ( 3.510 -2.399 -0.017) 4.252 3.466 ( 2.732 -2.654 1.415) 4.063 3.524 ( 3.221 1.509 -0.853) 3.658 3.564 ( 3.054 -2.113 -0.298) 3.726 3.610 ( 1.516 2.156 0.443) 2.673 3.651 ( 0.914 -1.548 1.452) 2.311 3.680 ( 7.996 1.225 0.309) 8.095 3.710 ( 5.424 -1.565 0.549) 5.672 3.771 ( 3.645 -0.597 -0.282) 3.705 3.793 ( 4.845 -2.480 -0.497) 5.466 3.917 ( 2.208 1.235 -1.053) 2.740 3.950 ( 2.544 -2.115 -0.460) 3.340 4.007 ( -1.291 -1.693 -2.199) 3.061 4.033 ( -1.016 -4.050 -3.102) 5.202 4.165 ( 1.012 2.225 1.123) 2.690 4.207 ( 1.622 -1.481 0.983) 2.407 4.257 ( 0.026 0.983 -1.071) 1.454 4.308 ( 0.694 -2.907 -0.806) 3.095 4.412 ( 1.261 1.064 2.567) 3.051 4.432 ( 1.541 -0.682 3.076) 3.507 4.506 ( 1.777 1.545 -0.572) 2.424 4.512 ( 2.299 0.939 0.063) 2.484 4.683 ( 2.202 2.362 0.875) 3.346 4.722 ( 2.045 -1.483 -0.204) 2.535 4.779 ( -1.632 1.569 -2.477) 3.355 4.797 ( -2.869 -0.202 -2.614) 3.887 4.936 ( 1.132 1.326 1.813) 2.515 4.943 ( -0.132 0.147 0.609) 0.640 4.980 ( -1.138 0.665 1.525) 2.016 5.012 ( -0.380 -1.997 2.721) 3.396 5.084 ( 0.931 1.928 -2.064) 2.973 5.117 ( 1.063 -0.654 0.144) 1.257 5.141 ( -1.867 1.399 0.589) 2.406 5.161 ( -1.492 -0.318 -0.264) 1.548 5.213 ( -1.345 0.820 -0.551) 1.669 5.229 ( -0.925 -0.853 -1.373) 1.862 5.298 ( -1.059 2.897 -0.019) 3.085 5.328 ( -1.459 0.441 -1.615) 2.221 5.386 ( -0.755 0.913 -0.832) 1.448 5.397 ( -0.290 -0.459 0.509) 0.744 5.456 ( 0.335 4.316 -0.428) 4.351 5.492 ( 0.629 2.530 0.843) 2.740 5.509 ( -0.080 -1.183 0.798) 1.429 5.547 ( -1.165 -2.510 0.147) 2.771 5.790 ( -2.019 2.937 0.391) 3.586 5.822 ( -2.267 0.395 0.229) 2.312 5.855 ( -3.163 2.475 -0.023) 4.016 5.896 ( -2.891 -1.022 -0.147) 3.070 6.619 ( 0.330 0.900 0.975) 1.367 6.646 ( -0.317 -1.754 1.735) 2.487 6.736 ( 2.550 1.210 0.370) 2.847 6.766 ( 1.459 -1.508 -2.598) 3.340 6.910 ( 1.912 -0.193 0.328) 1.950 6.915 ( 2.000 -0.584 -0.793) 2.229 6.970 ( 1.173 1.166 -0.387) 1.699 6.997 ( 1.189 -1.430 -0.178) 1.868 7.174 ( -1.030 1.807 0.855) 2.249 7.184 ( -0.192 0.786 0.705) 1.073 7.232 ( 0.386 2.078 -0.872) 2.286 7.262 ( 0.129 -0.945 -0.375) 1.025======================= Grid point 64 (35/54) =======================q-point: ( 0.38 0.40 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.581 ( -9.106 4.676 -0.481) 10.248 0.605 ( -8.636 2.529 1.757) 9.169 0.769 ( -9.324 3.147 -0.379) 9.848 0.827 ( -0.017 2.518 1.143) 2.765 0.872 ( -6.246 -4.361 -1.516) 7.767 0.929 ( -0.532 -6.473 -0.059) 6.495 1.070 ( -1.100 3.068 1.757) 3.702 1.114 ( -2.730 0.616 0.375) 2.823 1.167 ( -4.657 1.983 3.322) 6.055 1.246 ( -7.833 -0.254 -2.614) 8.262 1.263 ( -1.381 -2.904 5.428) 6.309 1.296 ( -0.073 -3.474 -0.915) 3.593 1.442 ( -1.231 3.299 -0.297) 3.534 1.478 ( -0.326 -0.465 1.599) 1.697 1.568 ( -1.021 6.621 -1.625) 6.893 1.632 ( -0.553 1.534 -0.163) 1.639 1.671 ( -1.228 -0.357 -1.875) 2.269 1.696 ( -1.276 -1.363 0.641) 1.974 1.738 ( 1.706 5.802 -0.517) 6.070 1.774 ( 1.920 2.355 -0.416) 3.067 1.789 ( 3.362 3.508 -1.636) 5.127 1.874 ( -1.148 1.060 0.720) 1.721 1.903 ( 2.508 -3.843 -0.589) 4.627 1.935 ( 1.372 -1.687 1.716) 2.770 1.976 ( 1.306 2.465 -0.144) 2.793 2.034 ( 4.409 -2.544 1.768) 5.388 2.059 ( 5.320 0.455 -1.146) 5.461 2.095 ( 3.672 -1.657 -1.213) 4.207 2.250 ( -4.228 0.066 -0.870) 4.317 2.271 ( -3.236 -1.628 -1.628) 3.971 2.374 ( -1.981 2.197 0.815) 3.069 2.412 ( -4.683 -1.510 0.943) 5.010 2.479 ( -3.803 -0.145 0.533) 3.843 2.491 ( -4.984 -1.399 -0.076) 5.177 2.555 ( 0.909 -0.753 -1.061) 1.587 2.566 ( 1.249 -1.242 0.061) 1.762 2.600 ( -0.733 1.372 -0.994) 1.846 2.649 ( -0.185 -1.098 -1.550) 1.909 2.713 ( 0.296 -0.457 1.928) 2.003 2.722 ( -0.162 -2.103 2.157) 3.017 3.096 ( 0.153 -0.981 1.630) 1.909 3.114 ( -0.486 -2.504 2.023) 3.256 3.182 ( 1.992 0.801 -2.868) 3.583 3.190 ( 1.831 -0.434 -1.993) 2.741 3.317 ( 1.760 1.775 1.052) 2.712 3.365 ( 1.457 -2.682 0.245) 3.062 3.412 ( 1.927 0.473 -1.620) 2.561 3.429 ( 0.035 0.292 -1.694) 1.720 3.486 ( 1.692 -0.580 1.958) 2.652 3.509 ( 1.380 -1.457 0.238) 2.021 3.578 ( 3.042 0.429 0.184) 3.078 3.608 ( 1.390 -1.792 1.260) 2.595 3.629 ( 0.540 1.244 0.334) 1.397 3.674 ( -0.072 -2.926 1.127) 3.137 3.771 ( 2.136 0.297 -1.474) 2.612 3.784 ( 2.494 -0.592 -0.966) 2.739 3.870 ( 5.642 1.525 1.156) 5.958 3.906 ( 5.671 -2.132 0.044) 6.058 3.927 ( 1.104 2.274 -0.129) 2.531 3.989 ( 1.330 -0.131 -0.529) 1.438 3.995 ( 1.505 -3.707 -0.253) 4.009 4.029 ( 1.850 -3.135 -0.276) 3.650 4.185 ( 0.114 2.721 0.352) 2.746 4.241 ( 0.786 -2.559 -1.191) 2.930 4.255 ( 1.191 1.308 0.121) 1.773 4.311 ( 0.481 -3.479 -1.239) 3.724 4.421 ( 0.227 -0.027 -0.956) 0.983 4.433 ( -0.229 -1.085 -1.725) 2.050 4.591 ( 2.098 1.643 2.449) 3.619 4.593 ( 2.471 1.611 3.508) 4.584 4.713 ( -2.301 0.500 -2.017) 3.101 4.719 ( -0.255 -0.126 0.722) 0.776 4.734 ( 1.451 1.477 -1.219) 2.403 4.765 ( 2.094 -1.560 0.851) 2.747 4.917 ( -1.779 2.401 -0.808) 3.095 4.944 ( -0.513 0.003 0.308) 0.598 4.977 ( -1.108 1.294 1.211) 2.090 5.003 ( -1.200 -0.980 -0.330) 1.584 5.093 ( -1.097 2.410 -1.114) 2.873 5.116 ( -1.645 -0.198 -0.661) 1.783 5.128 ( 1.705 0.216 1.292) 2.150 5.156 ( 2.223 -1.664 -0.445) 2.812 5.202 ( -0.852 1.270 -0.034) 1.530 5.218 ( -0.338 -0.404 -0.536) 0.752 5.269 ( -1.259 1.890 0.171) 2.277 5.292 ( -0.654 -0.315 -0.379) 0.819 5.375 ( 0.278 1.781 -0.330) 1.833 5.403 ( 0.368 -0.957 0.360) 1.087 5.451 ( -0.781 3.109 0.612) 3.263 5.500 ( -0.005 -0.694 -0.606) 0.921 5.523 ( -0.312 0.329 0.999) 1.097 5.534 ( -0.613 -0.214 1.784) 1.899 5.771 ( -0.615 1.892 0.132) 1.994 5.784 ( -1.770 1.919 0.027) 2.610 5.799 ( -2.263 1.337 -0.421) 2.662 5.835 ( -2.591 -0.773 -1.208) 2.962 6.631 ( 0.137 0.644 0.750) 0.998 6.657 ( -0.209 -1.982 1.644) 2.583 6.758 ( 1.084 1.094 -3.274) 3.618 6.773 ( 1.580 -0.332 -1.148) 1.981 6.935 ( 0.830 -0.401 0.029) 0.922 6.939 ( 0.849 -0.773 0.495) 1.250 6.995 ( 0.909 0.696 0.945) 1.485 7.017 ( 0.420 -1.489 1.153) 1.929 7.168 ( -0.244 2.660 0.433) 2.706 7.198 ( 0.679 -0.360 0.430) 0.881 7.236 ( 0.917 1.994 -1.079) 2.445 7.265 ( 0.633 -0.931 -0.854) 1.413======================= Grid point 65 (36/54) =======================q-point: (-0.50 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.483 ( -1.248 8.881 -1.159) 9.043 0.507 ( 3.271 10.158 -3.163) 11.131 0.656 ( -3.513 -4.849 1.764) 6.242 0.732 ( -1.882 -8.343 -2.377) 8.877 0.899 ( 2.930 -0.542 0.269) 2.992 0.924 ( 2.142 -3.498 -1.763) 4.464 1.007 ( -1.835 1.150 0.332) 2.191 1.035 ( -2.043 -1.488 -0.460) 2.569 1.149 ( -4.227 3.125 1.973) 5.614 1.185 ( 0.418 1.238 1.993) 2.383 1.308 ( 1.058 -0.170 4.996) 5.110 1.362 ( 1.549 -2.705 4.202) 5.232 1.448 ( 1.756 2.403 0.712) 3.060 1.498 ( 0.258 -0.991 1.939) 2.193 1.563 ( 1.756 5.975 -0.779) 6.276 1.606 ( -2.469 5.812 0.513) 6.335 1.645 ( 0.942 -1.189 -2.312) 2.765 1.694 ( 0.135 -1.498 0.435) 1.566 1.742 ( 0.532 7.460 -1.975) 7.735 1.802 ( 1.125 1.580 -0.262) 1.957 1.830 ( 0.915 2.371 0.423) 2.577 1.871 ( 0.406 -1.189 0.695) 1.436 1.932 ( -0.251 -3.431 0.555) 3.485 1.933 ( -1.793 -0.121 -0.686) 1.924 2.003 ( 0.809 2.303 0.864) 2.590 2.067 ( -2.426 -2.022 -1.974) 3.724 2.128 ( -3.065 -2.223 -1.026) 3.923 2.156 ( 2.327 -3.016 -1.694) 4.170 2.235 ( 4.305 1.018 1.750) 4.758 2.248 ( 4.178 -0.670 0.678) 4.285 2.324 ( -1.200 0.781 0.162) 1.441 2.345 ( -1.009 -0.925 1.601) 2.106 2.440 ( -1.468 -0.168 0.150) 1.485 2.449 ( -1.403 -0.876 1.233) 2.063 2.544 ( 0.804 -0.258 -2.868) 2.990 2.557 ( -0.654 -1.155 -1.835) 2.265 2.586 ( 0.319 1.635 -1.111) 2.003 2.624 ( -1.044 -1.291 -0.710) 1.806 2.690 ( -2.681 -0.166 -1.162) 2.927 2.715 ( -0.748 -2.776 -1.049) 3.060 3.104 ( -1.002 -0.842 1.535) 2.017 3.118 ( -1.345 -2.296 2.041) 3.354 3.187 ( 1.511 1.401 -2.175) 2.996 3.213 ( 1.942 -0.966 -1.614) 2.704 3.333 ( -0.963 0.570 0.763) 1.355 3.360 ( -0.895 -2.054 -0.780) 2.372 3.422 ( 0.816 0.706 -1.283) 1.677 3.426 ( 1.102 -0.143 -0.967) 1.474 3.530 ( 0.193 0.772 1.405) 1.614 3.536 ( 0.426 0.665 2.476) 2.599 3.616 ( 0.756 -1.941 -0.626) 2.175 3.633 ( -0.513 -2.435 0.990) 2.678 3.652 ( 0.154 0.356 3.095) 3.119 3.676 ( -0.271 -2.170 2.121) 3.047 3.782 ( 0.380 0.870 -1.808) 2.042 3.795 ( -0.112 -0.256 -1.697) 1.720 3.895 ( -1.142 1.830 -0.152) 2.162 3.937 ( -0.584 -2.081 -1.058) 2.406 3.981 ( 1.258 2.266 1.732) 3.118 4.006 ( 0.009 0.614 -0.485) 0.783 4.042 ( 0.604 -2.691 1.444) 3.112 4.060 ( 1.539 -3.757 1.905) 4.485 4.174 ( -0.800 3.060 -0.654) 3.230 4.218 ( -0.386 -0.094 -2.746) 2.774 4.283 ( 0.168 -2.379 0.678) 2.480 4.304 ( 0.556 -3.059 -1.355) 3.392 4.399 ( -0.829 -0.328 -2.595) 2.744 4.413 ( -0.331 -1.902 -2.178) 2.911 4.581 ( -1.257 1.945 -0.260) 2.330 4.594 ( -2.084 0.755 0.101) 2.219 4.722 ( 0.955 1.656 1.249) 2.283 4.750 ( 1.044 -0.869 0.865) 1.610 4.770 ( 0.693 1.899 1.266) 2.385 4.798 ( 0.492 -0.852 2.007) 2.235 4.903 ( 1.425 2.926 0.115) 3.257 4.942 ( 0.210 -0.299 -0.129) 0.388 4.973 ( -0.661 0.598 1.100) 1.416 4.985 ( -0.911 -1.404 0.077) 1.675 5.076 ( 0.500 1.702 -0.519) 1.848 5.097 ( 0.259 -0.352 0.150) 0.462 5.149 ( -0.955 1.468 -2.473) 3.031 5.161 ( -1.552 0.547 -2.088) 2.659 5.162 ( 0.160 0.443 -0.342) 0.582 5.187 ( 0.488 -1.491 -1.456) 2.141 5.300 ( 1.299 1.080 2.921) 3.374 5.316 ( 1.055 -0.225 2.215) 2.464 5.382 ( 0.293 2.232 0.242) 2.264 5.411 ( 0.117 -0.677 -0.116) 0.697 5.456 ( 0.431 2.261 1.927) 3.002 5.499 ( 0.896 -1.669 0.908) 2.100 5.514 ( -1.502 1.321 0.098) 2.003 5.528 ( -1.490 0.161 -0.156) 1.506 5.745 ( -0.156 1.946 -1.270) 2.329 5.759 ( -1.031 0.531 -1.333) 1.767 5.785 ( 0.462 1.608 0.345) 1.709 5.806 ( 0.643 -0.212 -0.782) 1.034 6.638 ( -0.428 0.741 1.129) 1.417 6.666 ( -0.975 -1.976 1.964) 2.952 6.740 ( 0.433 1.834 -3.285) 3.787 6.777 ( 1.017 -1.726 -2.479) 3.187 6.946 ( -0.342 -0.067 0.853) 0.922 6.951 ( 0.203 -0.656 0.372) 0.781 7.017 ( 0.225 0.447 1.570) 1.648 7.034 ( 0.095 -1.289 1.462) 1.952 7.168 ( -0.363 2.818 0.378) 2.867 7.204 ( -0.419 -0.712 -0.196) 0.849 7.239 ( 0.439 1.692 -0.941) 1.985 7.262 ( 0.084 -0.619 -1.281) 1.425======================= Grid point 66 (37/54) =======================q-point: (-0.38 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.583 ( 12.365 5.187 0.137) 13.410 0.658 ( 7.771 3.779 2.576) 9.017 0.663 ( 8.457 0.771 -1.420) 8.610 0.795 ( 6.754 -5.659 0.101) 8.812 0.921 ( 4.019 2.140 -1.981) 4.965 0.995 ( 3.364 -3.219 -0.586) 4.693 1.040 ( -2.344 3.049 2.510) 4.593 1.100 ( 2.317 -0.364 1.607) 2.843 1.112 ( 8.195 0.391 0.653) 8.231 1.176 ( 0.176 -3.445 1.821) 3.900 1.378 ( 0.635 2.114 3.364) 4.024 1.409 ( 1.417 1.041 2.754) 3.268 1.486 ( -1.211 -0.346 -1.596) 2.033 1.506 ( 2.097 -0.712 -2.828) 3.592 1.581 ( 1.381 4.241 1.535) 4.717 1.613 ( 1.310 4.248 -0.490) 4.472 1.649 ( 1.496 2.309 -0.091) 2.753 1.691 ( -0.765 3.954 -2.248) 4.612 1.738 ( 0.054 3.860 0.464) 3.888 1.780 ( -2.456 -0.341 -1.690) 3.001 1.827 ( -2.957 1.299 -1.453) 3.541 1.843 ( -1.412 -2.657 -0.342) 3.028 1.879 ( -0.909 1.595 0.635) 1.943 1.939 ( -1.752 0.984 2.388) 3.120 1.970 ( -4.438 -1.861 0.324) 4.824 2.017 ( 1.491 -4.319 -2.405) 5.164 2.060 ( -3.029 2.757 1.006) 4.218 2.135 ( -3.739 -3.606 -0.099) 5.195 2.267 ( 3.138 2.475 -2.012) 4.475 2.318 ( 5.197 -1.743 -0.849) 5.547 2.369 ( 0.194 0.488 1.519) 1.607 2.401 ( -0.946 -2.043 -1.030) 2.476 2.455 ( 5.067 0.252 0.372) 5.087 2.468 ( 2.074 -0.058 0.536) 2.142 2.538 ( 0.558 -0.464 -1.377) 1.556 2.553 ( 2.791 -1.329 -2.397) 3.912 2.588 ( -0.381 0.394 2.809) 2.862 2.622 ( 1.049 -1.990 1.647) 2.789 2.653 ( 0.316 -0.260 1.640) 1.690 2.701 ( 0.747 -3.957 -0.813) 4.108 3.089 ( -2.313 -0.793 1.120) 2.690 3.099 ( -2.125 -1.555 1.434) 2.998 3.190 ( 0.737 1.024 -1.706) 2.122 3.219 ( 0.202 -1.928 -1.692) 2.573 3.308 ( -2.375 0.230 0.932) 2.562 3.337 ( -1.130 -2.220 -0.226) 2.501 3.413 ( -1.015 1.140 -1.215) 1.951 3.433 ( 0.289 -0.644 -1.035) 1.253 3.522 ( -2.653 1.566 -0.083) 3.082 3.545 ( -0.867 1.252 1.185) 1.930 3.596 ( -2.840 -2.401 -0.827) 3.810 3.616 ( -1.061 -2.676 1.128) 3.091 3.671 ( -1.866 -0.012 3.230) 3.730 3.685 ( -2.548 -1.444 2.410) 3.792 3.730 ( -3.163 0.554 -2.682) 4.184 3.743 ( -2.239 -0.556 -1.701) 2.866 3.871 ( -3.282 0.781 1.444) 3.670 3.890 ( -4.017 -0.944 -0.509) 4.158 3.971 ( -2.243 1.041 -0.758) 2.586 3.996 ( -1.147 -0.855 -1.203) 1.869 4.024 ( -2.477 -0.375 1.109) 2.740 4.074 ( -1.187 -3.565 -0.850) 3.853 4.166 ( -0.117 1.117 0.554) 1.252 4.193 ( 0.204 -0.132 -0.862) 0.896 4.261 ( -1.764 -0.192 -0.906) 1.992 4.306 ( -0.078 -3.309 -0.917) 3.435 4.361 ( -1.129 -0.070 -0.788) 1.378 4.380 ( -0.675 -2.042 -0.559) 2.222 4.577 ( -0.438 2.346 1.158) 2.653 4.591 ( 0.812 1.094 2.502) 2.848 4.712 ( -2.178 2.375 -0.068) 3.223 4.746 ( 0.077 -0.749 0.048) 0.754 4.805 ( -1.145 0.759 -0.924) 1.656 4.813 ( 1.503 0.033 0.928) 1.766 4.915 ( -2.108 -0.093 -3.086) 3.739 4.924 ( -0.161 -0.686 0.528) 0.881 4.975 ( 0.196 0.859 1.164) 1.459 4.980 ( 0.183 0.253 1.792) 1.819 5.094 ( 0.433 1.638 0.249) 1.712 5.110 ( 0.192 0.007 0.262) 0.324 5.125 ( 1.981 2.481 -1.519) 3.520 5.149 ( 1.955 -0.049 0.350) 1.987 5.172 ( 1.128 0.100 -0.628) 1.295 5.193 ( 1.340 -1.534 -1.404) 2.474 5.324 ( -0.461 1.914 0.885) 2.158 5.343 ( 0.103 0.326 0.522) 0.624 5.384 ( -0.480 1.004 0.313) 1.156 5.397 ( -0.919 -0.342 -1.228) 1.571 5.477 ( -1.401 1.177 -0.163) 1.837 5.482 ( -1.830 0.798 -0.954) 2.212 5.511 ( 1.526 2.221 2.441) 3.636 5.555 ( 2.512 -1.502 1.913) 3.496 5.746 ( 1.598 2.030 -0.240) 2.594 5.769 ( 2.671 -0.052 -0.077) 2.672 5.798 ( 1.304 2.282 -0.507) 2.677 5.827 ( 2.232 -0.444 -1.023) 2.495 6.632 ( -1.506 0.790 1.131) 2.043 6.654 ( -2.167 -1.425 1.671) 3.085 6.714 ( -0.157 2.413 -2.417) 3.419 6.772 ( 0.927 -3.353 -2.122) 4.075 6.936 ( -1.371 0.333 0.338) 1.451 6.950 ( -0.855 -0.971 0.176) 1.306 7.033 ( -0.352 0.519 1.471) 1.599 7.043 ( -0.448 -0.442 0.440) 0.768 7.164 ( -0.488 2.095 1.007) 2.375 7.184 ( -1.003 0.180 -0.231) 1.045 7.235 ( -0.072 0.777 -0.512) 0.933 7.245 ( -0.436 -0.078 -1.430) 1.497======================= Grid point 67 (38/54) =======================q-point: (-0.25 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.690 ( -2.215 6.885 1.649) 7.418 0.823 ( -3.896 8.885 -0.816) 9.736 0.829 ( 4.991 -5.871 -0.125) 7.707 0.903 ( 10.698 0.812 2.016) 10.916 1.002 ( 8.295 1.959 0.725) 8.554 1.051 ( 7.501 0.248 -1.091) 7.584 1.074 ( 4.367 -1.425 -0.880) 4.677 1.162 ( 8.116 -4.792 0.468) 9.437 1.275 ( 5.419 2.703 1.002) 6.138 1.361 ( 5.016 -2.166 -1.817) 5.758 1.375 ( 2.557 2.249 2.189) 4.048 1.412 ( -2.173 3.824 1.100) 4.534 1.453 ( 1.352 0.648 -0.987) 1.795 1.514 ( 2.791 -2.351 -3.305) 4.923 1.544 ( -3.893 6.578 0.273) 7.648 1.618 ( -1.253 0.004 -2.554) 2.845 1.660 ( 0.418 3.620 0.031) 3.644 1.702 ( 3.833 4.632 1.592) 6.220 1.749 ( 2.304 1.770 -1.661) 3.347 1.753 ( 1.614 -0.024 -0.751) 1.781 1.816 ( 3.034 2.859 0.264) 4.177 1.841 ( 0.624 -1.845 1.912) 2.729 1.894 ( 1.299 2.140 1.626) 2.985 1.919 ( -0.857 2.403 1.659) 3.044 1.955 ( 1.951 -0.523 -1.156) 2.327 2.011 ( -1.865 0.804 -0.246) 2.045 2.039 ( 1.639 -5.669 -2.597) 6.447 2.061 ( -2.136 -3.429 -0.842) 4.127 2.306 ( 1.369 0.827 -0.280) 1.624 2.354 ( -0.988 -3.372 -0.952) 3.640 2.395 ( 0.979 0.324 1.060) 1.479 2.407 ( 3.038 -0.700 -0.561) 3.168 2.488 ( 1.258 1.087 1.130) 2.010 2.510 ( 0.285 -1.020 2.351) 2.579 2.555 ( 1.889 0.261 0.200) 1.917 2.581 ( 2.217 -0.937 -0.701) 2.506 2.637 ( 2.074 -1.328 0.499) 2.513 2.678 ( 3.492 -2.790 -0.230) 4.476 2.687 ( 0.364 -0.157 1.760) 1.805 2.747 ( 2.037 -4.466 1.711) 5.198 3.057 ( -1.491 0.725 1.653) 2.342 3.086 ( -0.661 -1.791 1.800) 2.624 3.173 ( -1.603 -0.741 -1.423) 2.268 3.183 ( -2.501 -2.375 -1.542) 3.778 3.257 ( -3.800 2.034 -0.203) 4.315 3.300 ( -2.978 -2.474 -0.170) 3.876 3.359 ( -4.216 1.194 -0.519) 4.413 3.406 ( -3.404 -3.181 -1.304) 4.838 3.456 ( -2.934 -0.661 0.765) 3.103 3.469 ( -5.660 -1.916 0.110) 5.976 3.562 ( -1.987 3.352 -1.553) 4.195 3.596 ( -1.223 0.538 1.189) 1.788 3.620 ( -4.595 -0.177 0.255) 4.605 3.658 ( -3.721 -1.702 1.774) 4.460 3.663 ( -3.596 -0.640 -0.210) 3.658 3.687 ( -3.749 -2.344 0.457) 4.445 3.784 ( -4.779 -0.665 -0.694) 4.875 3.791 ( -4.735 -0.917 -0.165) 4.826 3.918 ( -2.304 0.376 -0.796) 2.466 3.942 ( -2.337 -1.420 0.157) 2.739 3.976 ( -2.668 -0.557 -2.523) 3.714 4.006 ( -3.851 -2.608 -3.617) 5.893 4.181 ( -0.059 0.162 1.264) 1.276 4.189 ( -0.445 -0.162 0.461) 0.661 4.231 ( -0.949 1.766 -0.043) 2.005 4.278 ( -0.770 -2.371 -0.529) 2.548 4.365 ( -0.105 -0.661 1.641) 1.772 4.373 ( -0.588 -1.423 1.207) 1.956 4.592 ( 0.323 3.872 0.958) 4.001 4.636 ( 1.038 -0.008 1.792) 2.071 4.665 ( -2.626 3.687 0.257) 4.534 4.733 ( -3.278 -1.985 -1.619) 4.160 4.755 ( 0.902 1.130 -1.103) 1.819 4.802 ( -1.113 -2.424 -4.142) 4.927 4.903 ( 1.886 1.675 2.581) 3.608 4.936 ( 0.762 -1.469 1.783) 2.432 4.997 ( 0.936 1.329 0.477) 1.694 5.009 ( 0.945 0.289 1.559) 1.845 5.105 ( 0.731 1.658 0.637) 1.920 5.126 ( 0.459 -0.221 1.023) 1.142 5.159 ( 1.969 2.585 -0.769) 3.339 5.178 ( 1.228 0.090 -0.330) 1.275 5.197 ( 2.376 0.777 -2.813) 3.763 5.215 ( 3.125 -0.466 -0.327) 3.176 5.310 ( -0.926 1.403 -0.854) 1.885 5.330 ( -0.407 -0.366 -1.864) 1.943 5.356 ( -1.864 1.514 -0.401) 2.434 5.375 ( -1.481 -0.219 1.099) 1.857 5.456 ( -0.450 1.628 -0.072) 1.691 5.471 ( 0.412 1.052 0.922) 1.458 5.540 ( -0.288 2.520 0.576) 2.601 5.596 ( 0.870 -2.211 0.165) 2.382 5.799 ( 2.986 3.422 0.725) 4.599 5.821 ( 2.223 3.213 -0.418) 3.930 5.845 ( 3.926 -1.112 1.048) 4.213 5.862 ( 2.641 -0.992 -0.953) 2.978 6.611 ( -1.763 0.626 1.336) 2.298 6.625 ( -2.380 -0.834 1.563) 2.967 6.692 ( -0.567 3.153 -0.985) 3.352 6.767 ( 0.277 -4.436 -1.439) 4.672 6.902 ( -2.395 0.614 -0.055) 2.473 6.922 ( -2.144 -1.312 -0.220) 2.523 7.012 ( -2.030 0.891 -0.872) 2.382 7.024 ( -1.838 -0.418 -0.057) 1.886 7.175 ( 0.235 1.459 1.235) 1.926 7.186 ( 1.073 0.651 1.034) 1.626 7.229 ( 0.712 0.929 -1.530) 1.926 7.233 ( 0.362 0.409 -0.248) 0.600======================= Grid point 68 (39/54) =======================q-point: (-0.12 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.650 ( -1.666 12.518 1.928) 12.774 0.712 ( -5.260 11.528 4.424) 13.422 0.884 ( -0.818 -7.908 0.676) 7.979 0.955 ( -2.735 -9.873 2.013) 10.440 1.089 ( 4.416 7.080 -2.881) 8.828 1.196 ( 5.616 1.253 -3.613) 6.794 1.206 ( 4.996 2.978 -6.055) 8.396 1.253 ( 0.786 -0.982 -1.913) 2.289 1.276 ( 1.150 7.280 -2.968) 7.945 1.349 ( -0.466 2.925 1.991) 3.569 1.433 ( 8.101 4.736 2.510) 9.714 1.470 ( -0.640 -0.325 5.204) 5.253 1.520 ( 2.783 -0.542 -2.347) 3.681 1.548 ( 3.613 -1.122 -0.890) 3.887 1.576 ( 2.489 3.609 -1.010) 4.499 1.614 ( 4.106 -0.568 0.524) 4.178 1.664 ( 1.684 2.658 -0.961) 3.290 1.731 ( 0.140 -2.618 -2.375) 3.537 1.802 ( 2.840 3.157 0.009) 4.246 1.840 ( 4.271 3.766 0.453) 5.712 1.845 ( -0.759 0.619 2.271) 2.473 1.887 ( 1.142 0.533 0.753) 1.468 1.957 ( 3.329 1.578 0.884) 3.789 1.968 ( 3.873 0.837 1.861) 4.378 1.990 ( -0.391 -0.306 -0.344) 0.605 2.003 ( 1.592 -0.118 -0.952) 1.859 2.016 ( 4.488 -1.117 -0.097) 4.626 2.090 ( 3.578 -5.435 -2.337) 6.914 2.336 ( 0.887 -2.020 1.225) 2.523 2.340 ( -0.017 -2.585 0.377) 2.612 2.404 ( -0.628 0.867 0.048) 1.071 2.434 ( 0.724 -1.889 -1.114) 2.309 2.492 ( -1.298 2.072 1.118) 2.689 2.533 ( -0.143 -2.144 1.682) 2.729 2.573 ( 0.133 0.163 -0.613) 0.648 2.612 ( 0.731 -2.002 0.447) 2.178 2.699 ( 4.258 -0.904 0.856) 4.437 2.724 ( 2.028 -0.011 -1.193) 2.354 2.725 ( 4.007 -2.752 -0.179) 4.865 2.758 ( -0.161 -3.076 -0.805) 3.184 3.062 ( -1.418 0.122 0.875) 1.671 3.085 ( -4.713 -1.215 -0.779) 4.929 3.105 ( -0.728 -1.699 1.487) 2.372 3.112 ( -4.452 -1.787 0.430) 4.817 3.196 ( -1.663 0.982 -1.594) 2.504 3.234 ( -3.883 -1.816 -0.881) 4.376 3.254 ( -4.718 -1.761 0.967) 5.128 3.273 ( -7.757 -2.465 -0.700) 8.170 3.403 ( -2.200 0.416 1.114) 2.501 3.447 ( -2.410 -2.049 1.550) 3.523 3.487 ( -7.848 0.708 -1.879) 8.100 3.502 ( -3.631 0.878 -1.838) 4.163 3.517 ( -6.354 2.016 -0.221) 6.670 3.584 ( -1.787 -2.745 -0.911) 3.400 3.611 ( -1.459 0.040 1.415) 2.033 3.654 ( -0.886 -2.327 0.528) 2.546 3.751 ( 0.057 -0.819 -0.766) 1.123 3.757 ( 0.728 -1.705 -0.378) 1.892 3.880 ( -2.869 0.011 -1.811) 3.393 3.891 ( -2.710 -1.447 -1.697) 3.510 3.920 ( -0.605 -0.604 3.291) 3.400 3.943 ( 0.063 -2.698 2.735) 3.842 4.171 ( -0.233 0.789 0.131) 0.833 4.190 ( -0.795 -0.663 0.839) 1.333 4.230 ( 0.337 1.254 0.328) 1.340 4.266 ( -0.972 -1.806 0.272) 2.069 4.368 ( -1.085 0.013 1.263) 1.665 4.374 ( -0.721 -0.595 1.299) 1.600 4.572 ( -1.101 4.017 -2.270) 4.743 4.616 ( -0.852 1.299 -4.124) 4.407 4.658 ( -0.241 0.627 1.307) 1.469 4.686 ( -1.395 -0.509 -0.524) 1.574 4.770 ( 1.069 0.162 0.058) 1.082 4.777 ( 0.960 -0.403 0.085) 1.045 4.951 ( 0.210 1.355 1.581) 2.093 4.974 ( 1.284 -0.171 0.865) 1.558 5.012 ( 0.427 1.654 -0.495) 1.778 5.036 ( 0.568 -0.818 0.747) 1.245 5.096 ( -1.007 -1.014 -2.066) 2.512 5.112 ( -0.557 -1.914 -2.655) 3.320 5.195 ( 1.353 2.168 0.856) 2.695 5.209 ( 1.187 0.666 0.448) 1.433 5.246 ( 3.951 2.310 -2.769) 5.350 5.264 ( 1.215 0.221 -2.553) 2.836 5.302 ( 2.583 1.592 1.395) 3.339 5.315 ( 1.502 0.420 -0.547) 1.653 5.338 ( -0.509 1.663 2.696) 3.209 5.365 ( -0.723 -0.702 2.677) 2.860 5.455 ( 0.237 3.497 -0.077) 3.506 5.497 ( 1.352 1.306 0.493) 1.943 5.521 ( -1.354 1.650 -0.427) 2.177 5.591 ( -0.994 -3.070 -1.064) 3.398 5.838 ( 1.484 4.239 -0.427) 4.511 5.857 ( 1.111 3.493 -0.164) 3.669 5.901 ( 2.261 -1.354 0.109) 2.638 5.917 ( 2.060 -1.545 1.154) 2.822 6.603 ( -1.145 0.105 2.314) 2.584 6.607 ( -1.524 -0.224 2.453) 2.896 6.671 ( -0.899 3.350 -0.372) 3.489 6.750 ( -0.426 -4.556 -1.502) 4.816 6.858 ( -2.087 0.656 0.125) 2.191 6.876 ( -2.238 -1.153 -0.241) 2.529 6.969 ( -1.133 0.873 -1.054) 1.777 6.985 ( -1.579 -0.800 -0.547) 1.853 7.192 ( 0.239 2.149 0.966) 2.368 7.220 ( 0.863 -0.499 0.969) 1.390 7.240 ( 1.617 1.705 -1.261) 2.667 7.250 ( 2.240 0.712 -1.006) 2.557======================= Grid point 85 (40/54) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.548 ( 1.048 0.000 -0.510) 1.166 0.548 ( -1.048 0.000 0.510) 1.166 0.644 ( 1.295 0.000 -2.244) 2.591 0.644 ( -1.295 0.000 2.244) 2.591 1.106 ( 1.092 0.000 -21.547) 21.575 1.106 ( -1.092 0.000 21.547) 21.575 1.239 ( 2.100 0.000 -2.312) 3.123 1.239 ( -2.100 0.000 2.312) 3.123 1.316 ( -0.151 0.000 -0.739) 0.755 1.316 ( 0.151 0.000 0.739) 0.755 1.355 ( -2.065 0.000 -2.916) 3.573 1.355 ( 2.065 0.000 2.916) 3.573 1.376 ( -7.429 0.000 -2.846) 7.955 1.376 ( 7.429 0.000 2.846) 7.955 1.619 ( 1.794 0.000 -2.853) 3.370 1.619 ( -1.794 0.000 2.853) 3.370 1.639 ( -3.455 0.000 -0.930) 3.579 1.639 ( 3.455 0.000 0.930) 3.579 1.752 ( -3.822 0.000 -1.524) 4.115 1.752 ( 3.822 0.000 1.524) 4.115 1.872 ( -6.920 0.000 1.301) 7.041 1.872 ( 6.920 0.000 -1.301) 7.041 1.971 ( -1.125 0.000 0.084) 1.128 1.971 ( 1.125 0.000 -0.084) 1.128 2.014 ( 1.947 0.000 -1.793) 2.647 2.014 ( -1.947 0.000 1.793) 2.647 2.192 ( -2.713 0.000 0.097) 2.715 2.192 ( 2.713 0.000 -0.097) 2.715 2.383 ( 2.497 0.000 -1.105) 2.731 2.383 ( -2.497 0.000 1.105) 2.731 2.441 ( -1.739 0.000 -2.181) 2.789 2.441 ( 1.739 0.000 2.181) 2.789 2.592 ( -1.204 0.000 -5.651) 5.778 2.592 ( 1.204 0.000 5.651) 5.778 2.601 ( 4.471 0.000 -3.290) 5.551 2.601 ( -4.471 0.000 3.290) 5.551 2.747 ( 1.291 0.000 -1.665) 2.107 2.747 ( -1.291 0.000 1.665) 2.107 2.888 ( -1.749 0.000 -2.703) 3.219 2.888 ( 1.749 0.000 2.703) 3.219 3.063 ( -3.012 0.000 -1.459) 3.347 3.063 ( 3.012 0.000 1.459) 3.347 3.098 ( -3.466 0.000 -0.846) 3.568 3.098 ( 3.466 0.000 0.846) 3.568 3.221 ( 0.513 0.000 -1.308) 1.405 3.221 ( -0.513 0.000 1.308) 1.405 3.273 ( -0.116 0.000 -0.591) 0.603 3.273 ( 0.116 0.000 0.591) 0.603 3.379 ( 0.631 0.000 -1.846) 1.951 3.379 ( -0.631 0.000 1.846) 1.951 3.497 ( -1.151 0.000 -0.302) 1.190 3.497 ( 1.151 0.000 0.302) 1.190 3.588 ( -1.446 0.000 -0.982) 1.748 3.588 ( 1.446 0.000 0.982) 1.748 3.622 ( -1.248 0.000 -1.479) 1.935 3.622 ( 1.248 0.000 1.479) 1.935 3.759 ( 0.338 0.000 -1.002) 1.058 3.759 ( -0.338 0.000 1.002) 1.058 4.108 ( -0.257 0.000 -0.118) 0.283 4.108 ( 0.257 0.000 0.118) 0.283 4.143 ( -1.905 0.000 -2.086) 2.825 4.143 ( 1.905 0.000 2.086) 2.825 4.197 ( -0.182 0.000 -5.588) 5.591 4.197 ( 0.182 0.000 5.588) 5.591 4.284 ( 0.446 0.000 -2.874) 2.909 4.284 ( -0.446 0.000 2.874) 2.909 4.348 ( -0.096 0.000 -3.327) 3.328 4.348 ( 0.096 0.000 3.327) 3.328 4.374 ( -1.224 0.000 -1.831) 2.202 4.374 ( 1.224 0.000 1.831) 2.202 4.631 ( -3.367 0.000 -2.271) 4.062 4.631 ( 3.367 0.000 2.271) 4.062 4.700 ( -1.297 0.000 -0.452) 1.374 4.700 ( 1.297 0.000 0.452) 1.374 4.929 ( -3.276 0.000 -1.259) 3.510 4.929 ( 3.276 0.000 1.259) 3.510 5.081 ( -1.143 0.000 -0.348) 1.195 5.081 ( 1.143 0.000 0.348) 1.195 5.090 ( 0.586 0.000 -2.142) 2.221 5.090 ( -0.586 0.000 2.142) 2.221 5.112 ( 0.145 0.000 -1.876) 1.882 5.112 ( -0.145 0.000 1.876) 1.882 5.203 ( -0.687 0.000 -0.723) 0.997 5.203 ( 0.687 0.000 0.723) 0.997 5.240 ( -0.065 0.000 -0.322) 0.328 5.240 ( 0.065 0.000 0.322) 0.328 5.351 ( -0.429 0.000 -1.846) 1.895 5.351 ( 0.429 0.000 1.846) 1.895 5.498 ( -2.035 0.000 -3.574) 4.113 5.498 ( 2.035 0.000 3.574) 4.113 5.527 ( -6.302 0.000 0.095) 6.302 5.527 ( 6.302 0.000 -0.095) 6.302 5.692 ( -0.696 0.000 -1.270) 1.448 5.692 ( 0.696 0.000 1.270) 1.448 5.967 ( -0.956 0.000 -0.072) 0.958 5.967 ( 0.956 0.000 0.072) 0.958 6.585 ( -1.288 0.000 0.035) 1.289 6.585 ( 1.288 0.000 -0.035) 1.289 6.847 ( 0.766 0.000 -1.425) 1.618 6.847 ( -0.766 0.000 1.425) 1.618 6.872 ( 4.302 0.000 -3.332) 5.441 6.872 ( -4.302 0.000 3.332) 5.441 6.952 ( -4.400 0.000 -0.229) 4.406 6.952 ( 4.400 0.000 0.229) 4.406 7.077 ( 0.645 0.000 -1.543) 1.673 7.077 ( -0.645 0.000 1.543) 1.673 7.221 ( -3.094 0.000 -0.151) 3.098 7.221 ( 3.094 0.000 0.151) 3.098======================= Grid point 87 (41/54) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.418 ( 2.776 0.000 -11.626) 11.953 0.517 ( 8.653 0.000 -11.112) 14.084 0.735 ( -3.385 0.000 14.495) 14.885 0.790 ( 5.365 0.000 6.162) 8.171 1.000 ( 10.499 0.000 -19.718) 22.339 1.154 ( -3.616 0.000 -2.646) 4.481 1.211 ( -6.629 0.000 -0.272) 6.635 1.212 ( -6.201 0.000 0.491) 6.221 1.269 ( -3.210 0.000 -0.127) 3.213 1.283 ( -0.645 0.000 5.768) 5.804 1.333 ( -2.075 0.000 4.899) 5.320 1.356 ( 2.477 0.000 -2.913) 3.824 1.482 ( -1.315 0.000 2.520) 2.842 1.486 ( 3.117 0.000 3.693) 4.833 1.555 ( 3.602 0.000 0.625) 3.656 1.563 ( -1.277 0.000 -2.612) 2.908 1.598 ( -5.319 0.000 0.326) 5.329 1.628 ( -5.456 0.000 0.888) 5.528 1.689 ( -1.852 0.000 0.836) 2.032 1.726 ( -3.408 0.000 2.266) 4.093 1.806 ( -0.957 0.000 0.739) 1.210 1.895 ( -6.773 0.000 -2.451) 7.203 1.932 ( -6.013 0.000 -2.077) 6.362 1.949 ( 2.617 0.000 -0.719) 2.714 1.966 ( -5.604 0.000 2.310) 6.061 2.007 ( -1.315 0.000 -0.056) 1.316 2.132 ( -2.887 0.000 2.276) 3.676 2.186 ( -2.316 0.000 -1.356) 2.684 2.338 ( -2.644 0.000 1.377) 2.982 2.387 ( -0.763 0.000 -0.484) 0.904 2.442 ( 3.280 0.000 0.243) 3.289 2.488 ( 0.872 0.000 0.248) 0.907 2.517 ( -0.653 0.000 -3.797) 3.853 2.544 ( -6.172 0.000 5.191) 8.065 2.640 ( -0.769 0.000 3.713) 3.792 2.656 ( 2.521 0.000 -2.660) 3.665 2.719 ( -3.871 0.000 1.762) 4.254 2.744 ( -1.767 0.000 1.325) 2.208 2.823 ( -0.280 0.000 -0.617) 0.678 2.830 ( -5.475 0.000 -0.023) 5.475 3.111 ( 2.126 0.000 -1.236) 2.459 3.114 ( 3.510 0.000 2.488) 4.302 3.141 ( 5.718 0.000 0.850) 5.781 3.222 ( 1.173 0.000 -0.883) 1.468 3.245 ( 3.124 0.000 -2.493) 3.997 3.277 ( 3.356 0.000 2.676) 4.292 3.295 ( 5.341 0.000 0.775) 5.397 3.335 ( 6.684 0.000 -0.055) 6.684 3.400 ( 4.049 0.000 -0.771) 4.122 3.431 ( 3.783 0.000 2.555) 4.565 3.489 ( 1.837 0.000 -0.625) 1.940 3.506 ( 0.263 0.000 0.025) 0.264 3.600 ( 1.202 0.000 -1.533) 1.948 3.603 ( 3.051 0.000 0.634) 3.116 3.649 ( 2.273 0.000 0.822) 2.417 3.674 ( 2.568 0.000 2.248) 3.413 3.773 ( 0.434 0.000 1.045) 1.131 3.778 ( 1.968 0.000 0.624) 2.065 4.031 ( -3.794 0.000 -4.474) 5.866 4.085 ( -2.295 0.000 -3.111) 3.866 4.098 ( 0.447 0.000 -5.258) 5.277 4.123 ( 0.829 0.000 -4.717) 4.789 4.174 ( 0.880 0.000 -0.936) 1.285 4.180 ( -0.310 0.000 0.326) 0.450 4.311 ( -0.260 0.000 0.163) 0.307 4.322 ( 1.705 0.000 -0.222) 1.719 4.336 ( 1.936 0.000 -1.578) 2.498 4.369 ( 2.541 0.000 0.352) 2.565 4.422 ( 1.460 0.000 6.894) 7.047 4.439 ( 2.769 0.000 2.264) 3.577 4.565 ( -0.071 0.000 -1.063) 1.065 4.654 ( -0.677 0.000 0.666) 0.950 4.734 ( 2.769 0.000 -0.306) 2.786 4.739 ( 1.707 0.000 -0.608) 1.812 4.873 ( -0.696 0.000 -0.916) 1.151 4.970 ( 0.252 0.000 -0.948) 0.980 5.022 ( -1.790 0.000 -3.260) 3.719 5.025 ( -2.604 0.000 0.390) 2.633 5.114 ( 0.506 0.000 -0.457) 0.681 5.115 ( -2.944 0.000 2.649) 3.960 5.145 ( 1.125 0.000 2.794) 3.012 5.164 ( -0.418 0.000 -0.973) 1.059 5.172 ( 3.403 0.000 1.294) 3.640 5.197 ( -0.736 0.000 1.145) 1.361 5.243 ( 0.103 0.000 -1.029) 1.034 5.248 ( 0.465 0.000 -0.011) 0.465 5.311 ( -0.713 0.000 -2.022) 2.144 5.322 ( -3.406 0.000 -0.207) 3.412 5.406 ( -3.404 0.000 -0.639) 3.463 5.443 ( -1.472 0.000 -2.754) 3.123 5.573 ( 0.085 0.000 3.442) 3.443 5.594 ( 2.268 0.000 -1.283) 2.605 5.684 ( 0.635 0.000 0.751) 0.984 5.714 ( -0.175 0.000 1.027) 1.041 5.916 ( -4.016 0.000 0.193) 4.020 5.948 ( -2.411 0.000 -0.726) 2.518 6.586 ( 0.896 0.000 0.360) 0.965 6.627 ( 2.907 0.000 -0.255) 2.918 6.796 ( -5.989 0.000 -6.953) 9.177 6.835 ( -1.751 0.000 3.929) 4.302 6.859 ( 2.278 0.000 -1.374) 2.661 6.894 ( 1.047 0.000 3.103) 3.275 6.973 ( 6.201 0.000 1.230) 6.322 6.981 ( 1.032 0.000 -1.867) 2.133 7.075 ( 0.909 0.000 -1.730) 1.955 7.081 ( -0.718 0.000 1.750) 1.892 7.170 ( -1.488 0.000 -0.705) 1.646 7.258 ( 1.201 0.000 -0.770) 1.427======================= Grid point 88 (42/54) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.556 ( 12.982 0.000 1.738) 13.098 0.652 ( 8.292 0.000 -2.582) 8.685 0.737 ( -7.323 0.000 8.487) 11.210 0.815 ( -7.480 0.000 -0.928) 7.537 0.990 ( -10.454 0.000 -2.116) 10.666 1.062 ( -0.304 0.000 1.239) 1.276 1.108 ( 6.170 0.000 -5.950) 8.571 1.161 ( -0.315 0.000 -2.951) 2.968 1.180 ( -6.384 0.000 -4.619) 7.879 1.248 ( -2.966 0.000 0.734) 3.056 1.310 ( -6.812 0.000 7.772) 10.335 1.320 ( -1.064 0.000 -0.443) 1.153 1.459 ( -3.780 0.000 3.476) 5.135 1.478 ( 1.291 0.000 -3.838) 4.049 1.490 ( -2.265 0.000 -1.818) 2.904 1.590 ( -9.475 0.000 0.480) 9.488 1.618 ( 2.320 0.000 5.025) 5.534 1.652 ( 1.118 0.000 -0.641) 1.289 1.679 ( 1.493 0.000 -3.908) 4.183 1.683 ( 2.015 0.000 -1.300) 2.398 1.738 ( -5.409 0.000 2.270) 5.866 1.773 ( -4.451 0.000 -0.172) 4.455 1.823 ( 1.890 0.000 -0.082) 1.892 1.885 ( -3.030 0.000 -0.060) 3.031 1.988 ( -0.079 0.000 -0.355) 0.363 2.018 ( 3.727 0.000 3.211) 4.920 2.122 ( -1.122 0.000 -2.874) 3.085 2.122 ( -1.626 0.000 2.914) 3.337 2.325 ( -0.608 0.000 2.284) 2.363 2.349 ( -3.013 0.000 -1.763) 3.491 2.441 ( -8.613 0.000 4.008) 9.500 2.485 ( 0.463 0.000 -2.306) 2.352 2.496 ( 0.138 0.000 -1.632) 1.638 2.525 ( 2.482 0.000 -1.118) 2.722 2.576 ( -5.406 0.000 -1.439) 5.594 2.632 ( -3.064 0.000 -0.491) 3.103 2.721 ( -1.945 0.000 3.717) 4.195 2.721 ( 1.667 0.000 -0.758) 1.831 2.778 ( -2.582 0.000 3.635) 4.459 2.842 ( -0.336 0.000 2.824) 2.844 3.099 ( -0.671 0.000 -3.232) 3.301 3.154 ( 0.111 0.000 0.391) 0.406 3.184 ( -1.331 0.000 -3.469) 3.715 3.248 ( 4.091 0.000 1.597) 4.392 3.301 ( 5.639 0.000 0.146) 5.641 3.355 ( 0.756 0.000 2.327) 2.446 3.385 ( 0.876 0.000 3.958) 4.054 3.389 ( 3.066 0.000 -2.365) 3.872 3.507 ( 2.737 0.000 -0.293) 2.753 3.518 ( 3.071 0.000 2.159) 3.754 3.544 ( 3.368 0.000 -3.080) 4.564 3.548 ( 3.906 0.000 3.329) 5.132 3.629 ( 3.540 0.000 -1.587) 3.879 3.680 ( 1.408 0.000 -0.246) 1.429 3.687 ( 3.374 0.000 1.556) 3.715 3.775 ( 3.446 0.000 0.456) 3.476 3.792 ( 3.819 0.000 1.145) 3.987 3.824 ( 2.457 0.000 0.808) 2.587 3.965 ( 0.314 0.000 -0.729) 0.793 4.035 ( 0.759 0.000 -2.584) 2.693 4.085 ( -0.049 0.000 -2.697) 2.698 4.091 ( 2.424 0.000 -4.111) 4.773 4.188 ( 1.294 0.000 0.380) 1.348 4.226 ( 3.956 0.000 0.695) 4.016 4.282 ( -0.301 0.000 -3.561) 3.574 4.346 ( -0.484 0.000 -0.123) 0.499 4.360 ( 2.968 0.000 -0.106) 2.969 4.442 ( 4.102 0.000 0.271) 4.111 4.487 ( 2.276 0.000 -0.160) 2.282 4.506 ( 0.841 0.000 4.037) 4.124 4.629 ( 4.470 0.000 2.066) 4.924 4.635 ( -0.971 0.000 -1.305) 1.627 4.745 ( 0.195 0.000 -0.146) 0.243 4.775 ( 1.618 0.000 2.493) 2.972 4.879 ( 1.163 0.000 -0.495) 1.264 4.909 ( -3.932 0.000 -2.168) 4.490 4.978 ( -3.372 0.000 0.437) 3.400 4.989 ( 0.533 0.000 -1.929) 2.001 5.074 ( -1.030 0.000 -4.099) 4.227 5.096 ( -1.100 0.000 2.384) 2.626 5.124 ( -1.554 0.000 -2.095) 2.608 5.153 ( -2.192 0.000 -1.234) 2.516 5.211 ( 1.379 0.000 3.208) 3.492 5.235 ( 2.112 0.000 -1.528) 2.607 5.252 ( 0.202 0.000 0.720) 0.748 5.252 ( -0.479 0.000 2.090) 2.144 5.291 ( -0.188 0.000 -1.479) 1.491 5.342 ( 3.117 0.000 3.657) 4.805 5.390 ( 0.841 0.000 0.224) 0.870 5.398 ( 0.447 0.000 -2.775) 2.811 5.580 ( -1.201 0.000 2.091) 2.411 5.594 ( -1.258 0.000 -2.160) 2.500 5.695 ( -1.442 0.000 0.113) 1.447 5.699 ( -0.666 0.000 0.950) 1.160 5.852 ( -3.490 0.000 1.045) 3.644 5.875 ( -4.157 0.000 -1.478) 4.412 6.613 ( 1.404 0.000 0.432) 1.469 6.668 ( 0.051 0.000 -4.829) 4.830 6.679 ( 2.676 0.000 -2.008) 3.345 6.847 ( -2.090 0.000 4.596) 5.049 6.908 ( 3.409 0.000 -0.504) 3.447 6.949 ( 2.131 0.000 2.030) 2.943 6.981 ( 0.695 0.000 -1.290) 1.465 7.079 ( 1.409 0.000 1.219) 1.863 7.082 ( 1.905 0.000 -2.048) 2.797 7.084 ( 0.556 0.000 2.372) 2.436 7.155 ( 0.750 0.000 -0.327) 0.818 7.259 ( 0.431 0.000 -1.546) 1.605======================= Grid point 89 (43/54) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.403 ( -23.567 0.000 2.273) 23.676 0.482 ( -20.556 0.000 -0.626) 20.566 0.844 ( -2.796 0.000 0.377) 2.822 0.860 ( 10.734 0.000 4.676) 11.708 0.930 ( 11.790 0.000 -0.181) 11.791 0.994 ( -6.835 0.000 0.550) 6.857 1.036 ( -2.634 0.000 -8.652) 9.044 1.052 ( -3.025 0.000 -6.627) 7.285 1.163 ( 0.841 0.000 1.152) 1.426 1.215 ( -5.659 0.000 1.670) 5.901 1.251 ( -6.906 0.000 8.049) 10.606 1.315 ( -2.868 0.000 -1.613) 3.291 1.376 ( -5.823 0.000 0.220) 5.827 1.408 ( -1.929 0.000 -1.489) 2.437 1.512 ( 0.196 0.000 4.124) 4.129 1.530 ( 6.593 0.000 -7.209) 9.769 1.596 ( -4.138 0.000 2.221) 4.697 1.608 ( -1.728 0.000 0.909) 1.953 1.660 ( -2.084 0.000 2.241) 3.060 1.704 ( 1.597 0.000 -0.696) 1.742 1.757 ( 4.138 0.000 -0.198) 4.143 1.840 ( 1.283 0.000 -0.620) 1.425 1.886 ( 3.107 0.000 -1.394) 3.406 1.903 ( 8.946 0.000 3.048) 9.451 2.026 ( 6.127 0.000 -1.348) 6.274 2.104 ( -2.000 0.000 3.282) 3.843 2.115 ( 1.046 0.000 -2.176) 2.414 2.149 ( 5.023 0.000 2.600) 5.656 2.193 ( -7.250 0.000 -1.948) 7.507 2.336 ( -1.390 0.000 -0.078) 1.392 2.406 ( -1.605 0.000 6.073) 6.281 2.421 ( -5.665 0.000 1.414) 5.839 2.458 ( -1.770 0.000 -3.336) 3.777 2.495 ( -1.492 0.000 -4.779) 5.006 2.512 ( -0.083 0.000 -1.869) 1.871 2.559 ( -3.890 0.000 -0.289) 3.901 2.709 ( -3.216 0.000 2.067) 3.823 2.722 ( -0.394 0.000 -2.588) 2.618 2.770 ( -2.167 0.000 3.691) 4.280 2.820 ( -3.209 0.000 -1.762) 3.661 3.110 ( 4.570 0.000 1.259) 4.740 3.146 ( -0.080 0.000 -1.260) 1.263 3.150 ( -0.292 0.000 -0.155) 0.330 3.311 ( 0.796 0.000 -0.371) 0.879 3.349 ( -1.890 0.000 1.895) 2.677 3.398 ( 3.545 0.000 -0.659) 3.606 3.411 ( -1.546 0.000 3.003) 3.377 3.417 ( 2.850 0.000 -2.593) 3.853 3.526 ( -0.048 0.000 -2.177) 2.178 3.527 ( -0.079 0.000 0.599) 0.604 3.608 ( 3.599 0.000 2.006) 4.120 3.642 ( 2.222 0.000 1.677) 2.784 3.687 ( 1.960 0.000 -0.249) 1.976 3.708 ( 3.323 0.000 0.713) 3.399 3.729 ( 0.288 0.000 -0.014) 0.288 3.797 ( 2.227 0.000 -1.357) 2.608 3.890 ( 3.275 0.000 0.507) 3.314 3.894 ( 2.696 0.000 1.848) 3.268 4.005 ( 0.717 0.000 2.933) 3.019 4.030 ( 0.178 0.000 -1.307) 1.319 4.071 ( 0.861 0.000 -1.196) 1.474 4.099 ( 2.091 0.000 -2.751) 3.456 4.216 ( 0.727 0.000 0.462) 0.862 4.242 ( -0.106 0.000 -3.208) 3.209 4.310 ( 2.419 0.000 0.869) 2.570 4.356 ( 3.259 0.000 1.725) 3.687 4.412 ( 1.652 0.000 -1.435) 2.188 4.482 ( 0.350 0.000 -1.527) 1.566 4.510 ( 0.307 0.000 -0.594) 0.669 4.533 ( 2.481 0.000 -0.309) 2.500 4.639 ( 1.354 0.000 0.727) 1.537 4.689 ( 0.487 0.000 -0.149) 0.509 4.748 ( -1.306 0.000 0.420) 1.372 4.824 ( -1.073 0.000 1.466) 1.817 4.866 ( 1.380 0.000 1.700) 2.190 4.881 ( -1.263 0.000 2.623) 2.911 4.939 ( 0.027 0.000 0.674) 0.675 4.988 ( 1.354 0.000 -1.475) 2.002 5.025 ( -0.590 0.000 -3.495) 3.545 5.062 ( -1.956 0.000 -0.692) 2.075 5.103 ( -1.281 0.000 -1.366) 1.873 5.117 ( 0.012 0.000 0.084) 0.085 5.235 ( 0.022 0.000 0.592) 0.593 5.246 ( 0.389 0.000 -0.923) 1.001 5.255 ( 0.138 0.000 -0.599) 0.614 5.257 ( -0.811 0.000 -0.791) 1.133 5.316 ( 1.634 0.000 5.072) 5.329 5.403 ( 1.246 0.000 -0.669) 1.415 5.410 ( 2.122 0.000 -1.108) 2.394 5.432 ( 1.462 0.000 2.165) 2.612 5.523 ( -2.233 0.000 -1.865) 2.909 5.567 ( -2.218 0.000 0.909) 2.397 5.686 ( -0.994 0.000 0.709) 1.221 5.691 ( 0.697 0.000 -0.747) 1.022 5.787 ( -2.928 0.000 -1.709) 3.391 5.800 ( -3.243 0.000 0.839) 3.349 6.638 ( 0.582 0.000 0.547) 0.799 6.640 ( 1.153 0.000 -2.568) 2.815 6.734 ( 3.966 0.000 -1.148) 4.129 6.837 ( -3.173 0.000 3.294) 4.574 6.957 ( 2.006 0.000 -0.193) 2.015 6.978 ( 0.376 0.000 -1.128) 1.189 7.006 ( 1.816 0.000 1.832) 2.580 7.068 ( -1.103 0.000 0.123) 1.109 7.102 ( 2.079 0.000 -1.816) 2.760 7.114 ( -0.117 0.000 1.034) 1.041 7.195 ( 2.035 0.000 1.324) 2.428 7.249 ( 0.335 0.000 -1.828) 1.859======================= Grid point 90 (44/54) =======================q-point: (-0.50 0.00 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.087 ( -10.445 0.000 -4.890) 11.533 0.087 ( 10.445 0.000 4.890) 11.533 0.861 ( -4.396 0.000 -3.518) 5.630 0.861 ( 4.396 0.000 3.518) 5.630 0.966 ( 0.671 0.000 -4.671) 4.719 0.966 ( -0.671 0.000 4.671) 4.719 1.080 ( -8.163 0.000 -1.231) 8.256 1.080 ( 8.163 0.000 1.231) 8.256 1.137 ( -5.024 0.000 -0.692) 5.071 1.137 ( 5.024 0.000 0.692) 5.071 1.226 ( -0.775 0.000 -4.169) 4.240 1.226 ( 0.775 0.000 4.169) 4.240 1.360 ( -2.865 0.000 0.616) 2.931 1.360 ( 2.865 0.000 -0.616) 2.931 1.531 ( -1.055 0.000 -0.247) 1.083 1.531 ( 1.055 0.000 0.247) 1.083 1.586 ( 3.276 0.000 -4.570) 5.622 1.586 ( -3.276 0.000 4.570) 5.622 1.705 ( -0.379 0.000 -3.804) 3.823 1.705 ( 0.379 0.000 3.804) 3.823 1.825 ( -2.795 0.000 0.713) 2.884 1.825 ( 2.795 0.000 -0.713) 2.884 1.969 ( -6.629 0.000 -1.564) 6.811 1.969 ( 6.629 0.000 1.564) 6.811 2.055 ( -4.668 0.000 -0.111) 4.669 2.055 ( 4.668 0.000 0.111) 4.669 2.188 ( -7.698 0.000 -0.508) 7.714 2.188 ( 7.698 0.000 0.508) 7.714 2.247 ( -5.654 0.000 -0.378) 5.667 2.247 ( 5.654 0.000 0.378) 5.667 2.381 ( -0.032 0.000 -4.722) 4.723 2.381 ( 0.032 0.000 4.722) 4.723 2.444 ( 1.377 0.000 -5.437) 5.609 2.444 ( -1.377 0.000 5.437) 5.609 2.505 ( 2.237 0.000 -2.294) 3.204 2.505 ( -2.237 0.000 2.294) 3.204 2.682 ( 0.321 0.000 -1.949) 1.976 2.682 ( -0.321 0.000 1.949) 1.976 2.770 ( 1.425 0.000 -3.877) 4.130 2.770 ( -1.425 0.000 3.877) 4.130 3.145 ( -0.155 0.000 -0.145) 0.212 3.145 ( 0.155 0.000 0.145) 0.212 3.235 ( -5.345 0.000 -2.564) 5.929 3.235 ( 5.345 0.000 2.564) 5.929 3.378 ( -1.713 0.000 -1.050) 2.009 3.378 ( 1.713 0.000 1.050) 2.009 3.432 ( 0.618 0.000 -1.509) 1.630 3.432 ( -0.618 0.000 1.509) 1.630 3.523 ( 0.855 0.000 -0.793) 1.166 3.523 ( -0.855 0.000 0.793) 1.166 3.658 ( -0.770 0.000 -0.302) 0.827 3.658 ( 0.770 0.000 0.302) 0.827 3.712 ( -1.238 0.000 -0.417) 1.307 3.712 ( 1.238 0.000 0.417) 1.307 3.791 ( -2.086 0.000 -2.110) 2.967 3.791 ( 2.086 0.000 2.110) 2.967 3.928 ( 1.353 0.000 -2.061) 2.466 3.928 ( -1.353 0.000 2.061) 2.466 4.014 ( -0.568 0.000 -0.036) 0.569 4.014 ( 0.568 0.000 0.036) 0.569 4.101 ( -0.413 0.000 -1.664) 1.714 4.101 ( 0.413 0.000 1.664) 1.714 4.222 ( 0.437 0.000 -1.491) 1.554 4.222 ( -0.437 0.000 1.491) 1.554 4.361 ( -2.163 0.000 -2.894) 3.613 4.361 ( 2.163 0.000 2.894) 3.613 4.457 ( -3.466 0.000 -2.265) 4.140 4.457 ( 3.466 0.000 2.265) 4.140 4.534 ( -2.243 0.000 -0.430) 2.283 4.534 ( 2.243 0.000 0.430) 2.283 4.667 ( -1.187 0.000 -0.381) 1.247 4.667 ( 1.187 0.000 0.381) 1.247 4.762 ( -3.090 0.000 -0.105) 3.092 4.762 ( 3.090 0.000 0.105) 3.092 4.905 ( 0.154 0.000 -0.371) 0.402 4.905 ( -0.154 0.000 0.371) 0.402 4.974 ( -1.024 0.000 -3.162) 3.324 4.974 ( 1.024 0.000 3.162) 3.324 5.025 ( -2.293 0.000 -0.269) 2.309 5.025 ( 2.293 0.000 0.269) 2.309 5.094 ( -1.150 0.000 -0.266) 1.181 5.094 ( 1.150 0.000 0.266) 1.181 5.240 ( 0.412 0.000 -0.167) 0.444 5.240 ( -0.412 0.000 0.167) 0.444 5.249 ( 0.299 0.000 -1.178) 1.215 5.249 ( -0.299 0.000 1.178) 1.215 5.388 ( -0.878 0.000 -3.617) 3.722 5.388 ( 0.878 0.000 3.617) 3.722 5.437 ( 1.632 0.000 -0.607) 1.741 5.437 ( -1.632 0.000 0.607) 1.741 5.521 ( -2.389 0.000 -0.090) 2.391 5.521 ( 2.389 0.000 0.090) 2.391 5.689 ( 0.373 0.000 -1.797) 1.835 5.689 ( -0.373 0.000 1.797) 1.835 5.761 ( 1.451 0.000 -1.057) 1.795 5.761 ( -1.451 0.000 1.057) 1.795 6.643 ( 0.692 0.000 -1.010) 1.224 6.643 ( -0.692 0.000 1.010) 1.224 6.795 ( 3.988 0.000 -1.754) 4.357 6.795 ( -3.988 0.000 1.754) 4.357 6.975 ( -0.042 0.000 -0.519) 0.521 6.975 ( 0.042 0.000 0.519) 0.521 7.045 ( -0.896 0.000 -1.307) 1.584 7.045 ( 0.896 0.000 1.307) 1.584 7.115 ( 1.106 0.000 -1.537) 1.893 7.115 ( -1.106 0.000 1.537) 1.893 7.233 ( -0.514 0.000 -1.612) 1.692 7.233 ( 0.514 0.000 1.612) 1.692======================= Grid point 95 (45/54) =======================q-point: ( 0.00 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.651 ( -1.614 8.616 -3.326) 9.376 0.651 ( 1.614 8.616 3.327) 9.376 0.723 ( -1.163 7.136 -3.456) 8.013 0.723 ( 1.163 7.136 3.456) 8.013 1.174 ( -0.885 4.691 -9.923) 11.012 1.174 ( 0.885 4.691 9.923) 11.012 1.216 ( 3.636 -1.751 -5.534) 6.848 1.216 ( -3.636 -1.751 5.534) 6.848 1.263 ( -3.390 -3.978 -3.240) 6.149 1.263 ( 3.390 -3.978 3.240) 6.149 1.406 ( -1.272 5.101 -2.084) 5.655 1.406 ( 1.272 5.101 2.084) 5.655 1.460 ( -3.687 6.653 -0.098) 7.607 1.460 ( 3.687 6.653 0.098) 7.607 1.602 ( 0.183 -0.364 -3.399) 3.423 1.602 ( -0.183 -0.364 3.399) 3.423 1.678 ( -3.113 2.185 -0.990) 3.930 1.678 ( 3.113 2.185 0.990) 3.930 1.756 ( -3.194 0.687 -0.573) 3.316 1.756 ( 3.194 0.687 0.573) 3.316 1.907 ( -3.176 2.979 -0.787) 4.425 1.907 ( 3.176 2.979 0.787) 4.425 1.969 ( 0.195 -0.052 -0.286) 0.350 1.969 ( -0.195 -0.052 0.286) 0.350 2.023 ( 0.424 0.646 -1.398) 1.597 2.023 ( -0.424 0.646 1.398) 1.597 2.149 ( -1.159 -3.845 -1.068) 4.155 2.149 ( 1.159 -3.845 1.068) 4.155 2.371 ( 1.576 -1.444 -0.927) 2.330 2.371 ( -1.576 -1.444 0.927) 2.330 2.432 ( -2.495 -1.067 -0.466) 2.753 2.432 ( 2.495 -1.067 0.466) 2.753 2.586 ( 3.461 -1.284 -2.302) 4.351 2.586 ( -3.461 -1.284 2.302) 4.351 2.593 ( -1.476 0.180 -4.852) 5.075 2.593 ( 1.476 0.180 4.852) 5.075 2.736 ( 1.382 -1.182 -1.549) 2.389 2.736 ( -1.382 -1.182 1.549) 2.389 2.859 ( -1.327 -2.921 -1.906) 3.732 2.859 ( 1.327 -2.921 1.906) 3.732 3.047 ( -2.832 -1.289 -1.304) 3.373 3.047 ( 2.832 -1.289 1.304) 3.373 3.074 ( -2.269 -2.043 -0.748) 3.144 3.074 ( 2.269 -2.043 0.748) 3.144 3.207 ( -1.935 -1.264 -1.653) 2.841 3.207 ( 1.935 -1.264 1.653) 2.841 3.253 ( -0.005 -1.338 -0.590) 1.463 3.253 ( 0.005 -1.338 0.590) 1.463 3.380 ( 0.882 -0.329 -1.402) 1.689 3.380 ( -0.882 -0.329 1.402) 1.689 3.449 ( 0.235 -3.036 -0.833) 3.157 3.449 ( -0.235 -3.036 0.833) 3.157 3.557 ( -1.227 -2.565 -0.949) 2.997 3.557 ( 1.227 -2.565 0.949) 2.997 3.637 ( -0.233 0.231 -0.210) 0.389 3.637 ( 0.233 0.231 0.210) 0.389 3.757 ( 0.354 -1.093 -1.060) 1.563 3.757 ( -0.354 -1.093 1.060) 1.563 3.991 ( -2.849 -7.497 -1.094) 8.094 3.991 ( 2.849 -7.497 1.094) 8.094 4.099 ( 0.080 -2.669 -1.558) 3.092 4.099 ( -0.080 -2.669 1.558) 3.092 4.169 ( -1.391 -1.114 -3.924) 4.310 4.169 ( 1.391 -1.114 3.924) 4.310 4.314 ( -1.248 -0.090 -2.692) 2.969 4.314 ( 1.248 -0.090 2.692) 2.969 4.337 ( -1.067 0.037 -2.415) 2.640 4.337 ( 1.067 0.037 2.415) 2.640 4.442 ( -0.343 4.627 -0.952) 4.737 4.442 ( 0.343 4.627 0.952) 4.737 4.631 ( -3.067 0.297 -1.716) 3.527 4.631 ( 3.067 0.297 1.716) 3.527 4.772 ( -1.101 4.967 -1.972) 5.456 4.772 ( 1.101 4.967 1.972) 5.456 4.904 ( -2.206 -1.237 -2.251) 3.386 4.904 ( 2.206 -1.237 2.251) 3.386 5.064 ( -0.950 -1.637 -2.343) 3.012 5.064 ( 0.950 -1.637 2.343) 3.012 5.083 ( 0.565 -0.488 -2.149) 2.275 5.083 ( -0.565 -0.488 2.149) 2.275 5.148 ( 0.631 2.699 -0.984) 2.942 5.148 ( -0.631 2.699 0.984) 2.942 5.220 ( 0.603 0.839 -0.410) 1.111 5.220 ( -0.603 0.839 0.410) 1.111 5.285 ( 1.229 4.257 -0.700) 4.486 5.285 ( -1.229 4.257 0.700) 4.486 5.371 ( -0.939 1.823 -1.294) 2.425 5.371 ( 0.939 1.823 1.294) 2.425 5.504 ( -0.068 -0.468 -1.311) 1.394 5.504 ( 0.068 -0.468 1.311) 1.394 5.524 ( 2.211 0.807 -3.295) 4.049 5.524 ( -2.211 0.807 3.295) 4.049 5.752 ( -0.220 4.907 -0.841) 4.983 5.752 ( 0.220 4.907 0.841) 4.983 5.962 ( -0.975 -0.530 -0.191) 1.126 5.962 ( 0.975 -0.530 0.191) 1.126 6.598 ( -0.275 1.295 -0.112) 1.328 6.598 ( 0.275 1.295 0.112) 1.328 6.782 ( 2.252 -5.222 -3.887) 6.889 6.782 ( -2.252 -5.222 3.887) 6.889 6.853 ( -0.335 -0.213 -0.848) 0.936 6.853 ( 0.335 -0.213 0.848) 0.936 6.954 ( -1.904 0.126 -0.910) 2.114 6.954 ( 1.904 0.126 0.910) 2.114 7.154 ( 0.380 4.641 -0.965) 4.756 7.154 ( -0.380 4.641 0.965) 4.756 7.233 ( -2.161 1.065 0.284) 2.426 7.233 ( 2.161 1.065 -0.284) 2.426======================= Grid point 97 (46/54) =======================q-point: ( 0.12 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.516 ( -0.164 9.180 -9.293) 13.064 0.637 ( 6.790 9.421 -9.452) 14.973 0.789 ( -3.287 4.876 13.099) 14.358 0.850 ( 2.437 5.428 7.071) 9.242 1.099 ( 5.944 9.140 -13.317) 17.211 1.140 ( -3.539 -3.972 -2.652) 5.944 1.158 ( -4.484 -3.266 1.739) 5.813 1.238 ( -3.352 -0.668 -0.802) 3.511 1.258 ( -0.920 -0.962 0.287) 1.361 1.318 ( -0.318 0.266 2.011) 2.053 1.347 ( -2.736 4.208 1.502) 5.239 1.410 ( -3.653 4.377 0.042) 5.701 1.451 ( 1.062 2.507 2.652) 3.801 1.531 ( -6.292 0.090 1.522) 6.474 1.557 ( 5.416 3.001 -1.363) 6.340 1.584 ( -3.083 1.520 -0.612) 3.492 1.616 ( -0.746 1.666 0.977) 2.070 1.664 ( -1.009 3.084 1.262) 3.482 1.731 ( -3.198 1.011 1.745) 3.781 1.764 ( -6.667 4.725 1.034) 8.236 1.812 ( 0.918 1.191 0.793) 1.700 1.911 ( -5.449 1.384 -3.277) 6.508 1.924 ( -3.707 0.286 -1.208) 3.909 1.963 ( -4.325 0.225 0.721) 4.391 1.969 ( -1.462 0.667 1.740) 2.369 2.014 ( -1.284 0.489 -0.725) 1.553 2.101 ( -2.018 -2.937 0.702) 3.632 2.143 ( -2.310 -3.976 -0.388) 4.615 2.336 ( -2.534 -0.486 1.953) 3.235 2.381 ( 0.618 -0.298 0.438) 0.814 2.431 ( 0.921 -1.661 0.224) 1.913 2.465 ( -0.008 -2.526 0.250) 2.538 2.509 ( -1.226 0.270 -2.673) 2.953 2.549 ( -2.745 0.302 2.217) 3.541 2.625 ( 0.364 -1.227 1.497) 1.970 2.631 ( 0.703 -2.257 -0.817) 2.501 2.705 ( -4.026 -1.089 1.835) 4.556 2.733 ( -1.368 -1.332 0.742) 2.048 2.794 ( -5.153 -2.840 -1.114) 5.988 2.798 ( -1.095 -2.845 0.215) 3.056 3.075 ( 3.636 -1.697 0.523) 4.047 3.107 ( 4.125 -2.064 0.834) 4.688 3.136 ( 2.432 -0.575 0.568) 2.563 3.185 ( 4.022 -3.012 -0.295) 5.034 3.194 ( 2.338 -2.266 -1.177) 3.462 3.265 ( 3.477 -2.376 0.460) 4.236 3.304 ( 3.686 -0.456 1.557) 4.027 3.323 ( 7.225 -1.242 -0.554) 7.352 3.418 ( 3.958 1.096 -0.335) 4.120 3.434 ( 5.093 0.096 2.409) 5.635 3.444 ( 1.470 -1.654 -0.508) 2.270 3.500 ( 5.314 -0.955 -0.409) 5.414 3.554 ( 0.680 -3.787 -0.463) 3.875 3.588 ( 1.448 -0.830 -0.470) 1.734 3.653 ( 1.933 0.942 1.063) 2.398 3.665 ( 2.485 -1.932 0.606) 3.205 3.768 ( 0.629 -0.923 1.106) 1.572 3.783 ( 1.939 -1.222 0.378) 2.323 3.928 ( -0.973 -5.760 -2.310) 6.282 4.018 ( 0.394 -6.861 -2.301) 7.248 4.050 ( -1.334 -3.106 -5.625) 6.563 4.080 ( 0.344 -3.598 -4.092) 5.460 4.137 ( -0.028 0.316 1.398) 1.434 4.193 ( 0.124 -0.336 0.386) 0.526 4.280 ( -0.251 -2.682 -2.179) 3.464 4.304 ( 1.828 -0.439 -0.983) 2.122 4.378 ( 1.945 1.023 -0.247) 2.212 4.395 ( 2.938 2.797 -0.315) 4.069 4.456 ( 0.522 1.494 3.278) 3.640 4.461 ( -0.069 2.753 3.920) 4.791 4.602 ( 1.339 3.449 0.815) 3.789 4.689 ( 1.380 0.373 -0.894) 1.686 4.747 ( 0.099 2.838 0.794) 2.948 4.793 ( -0.732 2.742 -1.725) 3.321 4.887 ( 1.282 1.469 2.000) 2.793 4.953 ( 0.001 -0.273 0.384) 0.471 5.019 ( -0.720 -0.536 -2.617) 2.767 5.058 ( -2.499 0.744 2.384) 3.533 5.077 ( -0.668 -0.705 -1.152) 1.506 5.106 ( 0.692 -2.350 2.171) 3.274 5.149 ( -0.749 1.885 1.881) 2.766 5.162 ( -0.094 1.442 0.445) 1.511 5.203 ( -0.165 1.733 -0.815) 1.922 5.225 ( -0.170 0.856 -0.982) 1.314 5.264 ( -1.149 2.311 0.759) 2.690 5.301 ( 1.289 3.001 -0.717) 3.344 5.343 ( -1.996 3.073 -1.138) 3.837 5.367 ( -1.268 4.326 -0.916) 4.600 5.404 ( -3.299 0.522 -1.188) 3.545 5.457 ( -0.967 0.862 -1.241) 1.794 5.546 ( 0.354 -1.606 0.564) 1.738 5.590 ( 1.352 -0.692 1.814) 2.366 5.739 ( -0.623 4.646 0.021) 4.688 5.768 ( 0.080 4.421 0.564) 4.458 5.916 ( -3.592 -0.160 0.045) 3.596 5.948 ( -2.174 -0.084 -0.588) 2.254 6.598 ( 0.506 1.144 0.606) 1.390 6.634 ( 2.620 0.705 -0.673) 2.796 6.750 ( -1.066 -3.212 -6.289) 7.142 6.783 ( -1.063 -4.038 3.877) 5.698 6.863 ( 2.069 0.154 -0.817) 2.230 6.893 ( 2.407 -1.341 0.604) 2.820 6.930 ( 1.001 0.824 0.341) 1.341 6.995 ( 2.015 -1.060 0.502) 2.331 7.138 ( -0.830 4.596 0.285) 4.679 7.154 ( -0.705 4.625 0.072) 4.679 7.187 ( -1.782 1.552 0.031) 2.363 7.258 ( 0.902 0.021 -0.900) 1.275======================= Grid point 98 (47/54) =======================q-point: ( 0.25 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( 10.698 3.725 0.836) 11.359 0.723 ( 6.207 4.335 -4.484) 8.800 0.773 ( -10.322 6.887 7.804) 14.658 0.855 ( -8.109 1.289 1.459) 8.339 0.963 ( -11.063 -1.542 -1.130) 11.227 1.056 ( -4.237 -1.051 0.244) 4.372 1.094 ( -1.440 0.228 -0.612) 1.581 1.213 ( -2.634 0.066 1.404) 2.985 1.242 ( -3.311 -0.230 0.183) 3.324 1.293 ( 2.021 5.033 -0.221) 5.428 1.327 ( 2.416 8.883 -4.895) 10.426 1.356 ( -0.744 0.352 -2.520) 2.651 1.444 ( -4.615 -0.371 3.033) 5.535 1.482 ( -4.104 2.787 2.902) 5.747 1.537 ( -5.015 -3.538 1.223) 6.258 1.558 ( -0.984 -0.816 1.405) 1.900 1.579 ( -3.490 2.770 -1.700) 4.769 1.654 ( 2.296 1.628 -3.691) 4.641 1.686 ( 0.547 2.094 -0.229) 2.177 1.733 ( 0.856 1.914 -0.242) 2.111 1.764 ( -7.964 0.717 -0.312) 8.002 1.824 ( -0.979 4.028 0.740) 4.210 1.853 ( 0.794 3.309 0.909) 3.522 1.896 ( -1.382 1.335 -1.120) 2.224 1.980 ( -0.103 -0.714 0.122) 0.732 2.025 ( 2.485 -0.183 3.242) 4.089 2.073 ( -0.700 -3.448 -1.428) 3.797 2.101 ( -1.388 -2.756 1.191) 3.308 2.334 ( -1.981 0.025 0.360) 2.014 2.346 ( -1.698 -0.026 0.605) 1.803 2.412 ( -5.617 -2.292 2.417) 6.530 2.462 ( 1.319 -1.826 -1.789) 2.877 2.493 ( 0.201 0.673 -2.123) 2.236 2.551 ( -0.870 1.227 0.408) 1.558 2.575 ( -3.582 -0.508 -1.218) 3.818 2.617 ( -2.129 -1.822 -1.583) 3.218 2.682 ( -1.561 -2.291 2.653) 3.838 2.708 ( 0.227 -1.291 -1.332) 1.869 2.730 ( -2.381 -4.108 3.340) 5.805 2.816 ( -0.388 -2.769 2.675) 3.870 3.098 ( 0.101 -0.043 -3.252) 3.254 3.145 ( 0.153 -1.436 -1.532) 2.106 3.160 ( -0.186 -1.410 1.064) 1.776 3.213 ( 3.611 -2.677 1.656) 4.790 3.267 ( 3.382 -1.961 -0.633) 3.960 3.345 ( 3.137 -1.973 0.921) 3.819 3.373 ( 3.092 -1.032 0.378) 3.282 3.412 ( 1.610 0.869 0.664) 1.946 3.483 ( 2.543 -1.746 0.707) 3.164 3.496 ( 5.138 -0.476 -0.329) 5.171 3.537 ( 0.503 -1.153 -0.617) 1.401 3.572 ( 3.452 0.219 1.885) 3.939 3.604 ( 3.858 -0.209 0.044) 3.864 3.663 ( 6.077 -0.365 -0.089) 6.089 3.702 ( 2.440 -0.244 0.830) 2.589 3.748 ( 4.775 -1.569 0.245) 5.032 3.783 ( 1.916 -0.703 -0.164) 2.047 3.828 ( 3.203 -1.047 0.144) 3.373 3.926 ( 1.298 -2.981 0.233) 3.259 3.989 ( 0.983 -3.745 -2.612) 4.671 4.036 ( 3.005 -3.266 -1.711) 4.757 4.056 ( 1.085 -4.362 -2.761) 5.275 4.156 ( 0.351 0.251 1.150) 1.228 4.216 ( 1.948 -0.341 0.110) 1.980 4.261 ( 0.435 -2.148 -2.665) 3.450 4.324 ( 1.272 -0.962 -0.921) 1.841 4.419 ( 2.616 -1.569 -0.035) 3.051 4.425 ( 1.838 -0.636 -1.486) 2.447 4.488 ( 1.525 4.473 1.137) 4.861 4.538 ( 1.574 2.991 4.081) 5.299 4.651 ( 1.550 2.428 -0.197) 2.887 4.690 ( 1.063 2.353 0.471) 2.624 4.755 ( -0.747 -0.175 0.291) 0.821 4.777 ( 1.332 -0.083 0.958) 1.643 4.912 ( -3.288 1.553 -0.861) 3.737 4.923 ( -0.011 3.121 1.045) 3.291 4.985 ( -0.840 0.881 -1.740) 2.123 5.021 ( -2.142 -0.424 1.388) 2.588 5.048 ( -1.385 2.284 -2.462) 3.633 5.123 ( -0.231 1.404 -0.760) 1.613 5.138 ( -1.854 0.847 -1.315) 2.425 5.156 ( 0.684 -2.058 1.852) 2.852 5.195 ( -0.800 0.463 -1.050) 1.399 5.206 ( -0.027 -0.001 0.015) 0.031 5.269 ( -0.184 1.564 1.744) 2.349 5.294 ( -0.164 0.775 1.017) 1.289 5.320 ( 0.166 2.329 -1.401) 2.723 5.374 ( 1.309 3.193 0.709) 3.522 5.397 ( 1.972 1.522 0.490) 2.539 5.437 ( 0.353 2.709 -1.465) 3.100 5.549 ( -0.390 -1.594 0.152) 1.648 5.602 ( -1.608 -0.560 1.316) 2.152 5.728 ( -0.811 3.369 0.138) 3.468 5.748 ( -2.130 4.022 -0.160) 4.553 5.853 ( -3.432 -0.000 0.854) 3.537 5.880 ( -3.884 0.379 -1.586) 4.212 6.617 ( 0.857 0.467 0.386) 1.050 6.672 ( 2.379 -0.098 -1.597) 2.867 6.680 ( 0.780 0.504 -4.625) 4.717 6.805 ( -1.044 -3.384 3.520) 4.993 6.904 ( 2.865 -0.281 -0.568) 2.934 6.943 ( 2.069 -1.054 1.088) 2.564 6.966 ( 1.703 0.046 0.559) 1.793 7.039 ( 1.928 -1.757 0.485) 2.653 7.132 ( -1.713 3.639 0.841) 4.109 7.146 ( 1.269 3.510 0.074) 3.733 7.176 ( 0.496 1.636 -0.285) 1.734 7.257 ( 0.401 -0.260 -1.467) 1.543======================= Grid point 99 (48/54) =======================q-point: ( 0.38 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.470 ( -19.916 5.472 1.067) 20.681 0.533 ( -18.897 5.043 -0.075) 19.559 0.781 ( 3.528 -5.058 -1.219) 6.286 0.846 ( -0.374 -0.809 2.526) 2.679 0.916 ( 6.828 -0.231 -2.023) 7.125 0.985 ( -0.361 0.644 -0.873) 1.143 1.035 ( -2.786 0.255 -1.544) 3.195 1.104 ( -7.967 -2.856 1.480) 8.592 1.160 ( -9.459 2.308 -1.298) 9.823 1.215 ( -4.162 0.317 0.631) 4.221 1.351 ( -0.976 9.359 0.909) 9.454 1.376 ( 2.943 4.976 0.053) 5.781 1.415 ( -0.426 0.219 -0.853) 0.978 1.437 ( -1.531 1.754 1.547) 2.795 1.469 ( -0.047 0.522 2.857) 2.905 1.549 ( -2.219 1.226 -1.616) 3.007 1.588 ( -0.915 1.304 0.650) 1.721 1.651 ( -3.813 1.677 2.637) 4.930 1.659 ( 2.977 1.122 -1.446) 3.495 1.717 ( 1.119 1.760 -1.153) 2.383 1.773 ( 4.219 0.854 0.073) 4.306 1.867 ( 0.865 2.069 -0.100) 2.245 1.889 ( 4.379 0.123 0.865) 4.465 1.912 ( 4.461 1.609 -0.846) 4.817 2.018 ( 4.808 -1.464 -1.483) 5.240 2.058 ( -1.261 -2.950 2.837) 4.283 2.088 ( 2.213 -2.276 -1.250) 3.412 2.152 ( 4.676 -0.229 2.344) 5.236 2.212 ( -5.817 1.208 -1.157) 6.052 2.341 ( -4.797 -1.107 0.383) 4.938 2.384 ( -0.259 -0.402 3.657) 3.688 2.430 ( -2.542 -0.703 -0.754) 2.743 2.454 ( -1.142 0.910 -1.334) 1.977 2.503 ( -3.137 -0.003 -2.872) 4.253 2.516 ( -0.972 0.208 -0.044) 0.995 2.557 ( -2.650 -0.235 -1.569) 3.089 2.657 ( -2.887 -4.241 1.002) 5.227 2.694 ( -0.612 -2.494 -1.898) 3.193 2.736 ( -1.182 -2.756 1.908) 3.555 2.786 ( -3.199 -3.054 -1.757) 4.759 3.113 ( 3.967 0.258 0.238) 3.982 3.134 ( 0.866 -0.479 -1.025) 1.425 3.156 ( -0.784 -0.046 0.530) 0.947 3.269 ( -1.259 -5.106 0.669) 5.301 3.318 ( 3.236 -0.203 1.070) 3.415 3.392 ( 0.861 -1.520 -1.307) 2.182 3.405 ( 1.574 -0.526 0.125) 1.664 3.424 ( -0.435 0.253 0.892) 1.024 3.500 ( 0.376 -1.012 0.026) 1.080 3.528 ( 0.436 0.276 -1.566) 1.649 3.622 ( 4.426 -0.563 2.768) 5.251 3.653 ( 2.607 -1.686 0.195) 3.111 3.657 ( 2.522 0.955 2.869) 3.937 3.715 ( 1.439 0.262 -0.570) 1.570 3.740 ( 1.137 -0.141 -1.227) 1.679 3.777 ( 1.715 -1.684 -1.170) 2.673 3.870 ( 3.025 -0.319 1.199) 3.270 3.907 ( 3.903 -0.039 -0.175) 3.907 3.964 ( 1.192 -2.720 1.423) 3.294 3.995 ( 0.809 -1.682 -0.618) 1.966 4.072 ( 2.273 -2.590 -0.788) 3.535 4.084 ( 2.477 -0.827 0.101) 2.614 4.165 ( -0.383 -1.372 0.793) 1.630 4.212 ( -0.215 -1.819 -2.072) 2.765 4.305 ( 4.182 -1.483 0.383) 4.453 4.339 ( 1.487 -2.082 0.383) 2.587 4.419 ( -0.895 -2.366 -3.336) 4.187 4.455 ( 1.211 -3.686 -0.858) 3.974 4.515 ( 1.075 3.523 -0.052) 3.683 4.560 ( -0.473 5.048 -0.407) 5.087 4.673 ( 1.593 1.341 -0.148) 2.088 4.717 ( 1.627 1.173 1.582) 2.554 4.776 ( -2.024 1.330 0.827) 2.559 4.825 ( 0.676 1.535 0.599) 1.781 4.849 ( 0.402 -1.503 2.050) 2.574 4.921 ( -0.584 2.852 1.038) 3.091 4.967 ( -0.340 1.767 0.811) 1.974 5.009 ( 0.148 0.711 -2.762) 2.856 5.015 ( -0.111 0.556 0.518) 0.768 5.090 ( -1.319 2.262 -0.941) 2.782 5.102 ( -0.699 1.706 -2.277) 2.930 5.155 ( -1.614 1.317 -0.742) 2.212 5.187 ( 0.106 -1.811 0.939) 2.043 5.203 ( -0.087 -2.403 -0.515) 2.460 5.293 ( 0.346 1.055 0.702) 1.313 5.299 ( 0.021 2.351 0.065) 2.352 5.333 ( 1.068 1.771 3.068) 3.699 5.396 ( 1.171 0.252 -0.485) 1.292 5.435 ( 0.636 1.509 0.797) 1.821 5.456 ( 1.860 2.160 -0.387) 2.877 5.524 ( -1.265 0.097 -1.110) 1.686 5.572 ( -2.453 0.195 0.886) 2.615 5.706 ( -1.277 2.071 -0.371) 2.462 5.724 ( -0.189 2.945 0.023) 2.951 5.794 ( -2.915 0.381 -1.609) 3.351 5.805 ( -2.727 0.538 0.588) 2.841 6.634 ( 0.818 0.270 0.215) 0.887 6.661 ( 0.747 1.456 -2.077) 2.644 6.718 ( 3.270 -1.473 -0.981) 3.718 6.803 ( -2.144 -2.898 2.021) 4.133 6.944 ( 1.784 -0.712 -0.154) 1.927 6.970 ( 0.444 -0.995 0.037) 1.090 7.009 ( 1.530 0.674 1.771) 2.435 7.062 ( 0.405 -1.240 -0.797) 1.529 7.121 ( -0.341 3.036 1.700) 3.497 7.157 ( 0.717 2.592 -1.824) 3.250 7.204 ( 1.543 0.768 1.237) 2.122 7.249 ( 0.407 -0.082 -1.654) 1.705======================= Grid point 100 (49/54) =======================q-point: (-0.50 0.20 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.254 ( -2.828 11.138 -1.073) 11.542 0.254 ( 2.828 11.138 1.073) 11.542 0.812 ( -1.712 -4.440 -3.425) 5.863 0.812 ( 1.712 -4.440 3.425) 5.863 0.953 ( -1.086 -1.645 -2.370) 3.083 0.953 ( 1.086 -1.645 2.370) 3.083 1.041 ( 0.577 -3.763 -1.649) 4.149 1.041 ( -0.577 -3.763 1.649) 4.149 1.130 ( -7.159 2.815 0.400) 7.703 1.130 ( 7.159 2.815 -0.400) 7.703 1.357 ( 1.798 8.620 -3.659) 9.535 1.357 ( -1.798 8.620 3.659) 9.535 1.433 ( 1.823 6.703 -1.181) 7.046 1.433 ( -1.823 6.703 1.181) 7.046 1.495 ( -2.421 -3.174 -0.049) 3.993 1.495 ( 2.421 -3.174 0.049) 3.993 1.605 ( 4.010 1.276 -2.576) 4.934 1.605 ( -4.010 1.276 2.576) 4.934 1.707 ( -1.298 1.255 -0.720) 1.943 1.707 ( 1.298 1.255 0.720) 1.943 1.846 ( -1.232 1.701 -1.529) 2.598 1.846 ( 1.232 1.701 1.529) 2.598 1.979 ( -2.874 -0.688 -1.847) 3.485 1.979 ( 2.874 -0.688 1.847) 3.485 2.019 ( -5.415 -1.622 -0.603) 5.685 2.019 ( 5.415 -1.622 0.603) 5.685 2.179 ( -7.377 -1.256 -0.297) 7.489 2.179 ( 7.377 -1.256 0.297) 7.489 2.247 ( -4.461 0.153 -0.670) 4.513 2.247 ( 4.461 0.153 0.670) 4.513 2.374 ( -0.707 -0.914 -3.664) 3.842 2.374 ( 0.707 -0.914 3.664) 3.842 2.456 ( 1.701 0.686 -3.999) 4.399 2.456 ( -1.701 0.686 3.999) 4.399 2.509 ( 0.996 0.205 -2.223) 2.445 2.509 ( -0.996 0.205 2.223) 2.445 2.645 ( -0.605 -2.742 -2.518) 3.771 2.645 ( 0.605 -2.742 2.518) 3.771 2.736 ( 0.999 -3.035 -3.296) 4.590 2.736 ( -0.999 -3.035 3.296) 4.590 3.142 ( 1.047 -0.184 -0.696) 1.271 3.142 ( -1.047 -0.184 0.696) 1.271 3.213 ( -3.409 -2.104 -1.706) 4.354 3.213 ( 3.409 -2.104 1.706) 4.354 3.371 ( -0.937 -0.905 -1.446) 1.946 3.371 ( 0.937 -0.905 1.446) 1.946 3.424 ( 0.520 -0.736 -1.094) 1.417 3.424 ( -0.520 -0.736 1.094) 1.417 3.513 ( -0.205 0.208 -1.292) 1.325 3.513 ( 0.205 0.208 1.292) 1.325 3.673 ( -0.180 0.276 -0.603) 0.687 3.673 ( 0.180 0.276 0.603) 0.687 3.719 ( -0.381 0.388 -2.940) 2.990 3.719 ( 0.381 0.388 2.940) 2.990 3.766 ( -1.632 -2.082 -2.465) 3.616 3.766 ( 1.632 -2.082 2.465) 3.616 3.918 ( -0.151 -0.623 -2.877) 2.948 3.918 ( 0.151 -0.623 2.877) 2.948 3.992 ( -0.612 -1.164 -0.410) 1.378 3.992 ( 0.612 -1.164 0.410) 1.378 4.102 ( -0.163 0.166 -1.294) 1.314 4.102 ( 0.163 0.166 1.294) 1.314 4.188 ( -1.003 -2.651 -1.542) 3.226 4.188 ( 1.003 -2.651 1.542) 3.226 4.349 ( -2.044 -2.252 -1.738) 3.503 4.349 ( 2.044 -2.252 1.738) 3.503 4.423 ( -2.629 -3.270 -2.793) 5.040 4.423 ( 2.629 -3.270 2.793) 5.040 4.538 ( -0.936 2.749 -0.815) 3.016 4.538 ( 0.936 2.749 0.815) 3.016 4.715 ( -2.605 2.253 -1.049) 3.601 4.715 ( 2.605 2.253 1.049) 3.601 4.777 ( -2.772 1.502 -1.237) 3.387 4.777 ( 2.772 1.502 1.237) 3.387 4.919 ( -0.832 0.933 -1.258) 1.773 4.919 ( 0.832 0.933 1.258) 1.773 4.985 ( -0.239 0.197 -2.211) 2.233 4.985 ( 0.239 0.197 2.211) 2.233 5.040 ( -1.723 2.236 -2.211) 3.585 5.040 ( 1.723 2.236 2.211) 3.585 5.109 ( -1.614 0.996 -1.253) 2.274 5.109 ( 1.614 0.996 1.253) 2.274 5.195 ( 0.183 -2.004 -0.879) 2.196 5.195 ( -0.183 -2.004 0.879) 2.196 5.298 ( 0.610 2.493 -0.703) 2.661 5.298 ( -0.610 2.493 0.703) 2.661 5.389 ( -0.670 0.216 -2.835) 2.921 5.389 ( 0.670 0.216 2.835) 2.921 5.456 ( -0.082 1.753 -1.642) 2.403 5.456 ( 0.082 1.753 1.642) 2.403 5.528 ( -2.059 0.314 -0.181) 2.091 5.528 ( 2.059 0.314 0.181) 2.091 5.706 ( -0.329 1.557 -1.366) 2.097 5.706 ( 0.329 1.557 1.366) 2.097 5.772 ( 0.714 1.020 -0.945) 1.563 5.772 ( -0.714 1.020 0.945) 1.563 6.651 ( 0.411 0.804 -1.728) 1.950 6.651 ( -0.411 0.804 1.728) 1.950 6.769 ( 1.235 -2.287 -2.309) 3.477 6.769 ( -1.235 -2.287 2.309) 3.477 6.967 ( -0.360 -0.650 -0.289) 0.797 6.967 ( 0.360 -0.650 0.289) 0.797 7.046 ( -0.526 -0.062 -1.777) 1.854 7.046 ( 0.526 -0.062 1.777) 1.854 7.143 ( 0.208 2.358 -2.509) 3.449 7.143 ( -0.208 2.358 2.509) 3.449 7.236 ( -0.359 0.230 -1.483) 1.543 7.236 ( 0.359 0.230 1.483) 1.543======================= Grid point 105 (50/54) =======================q-point: ( 0.00 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.815 ( 0.605 6.143 -6.247) 8.783 0.815 ( -0.605 6.143 6.247) 8.783 0.889 ( -0.643 9.026 -10.093) 13.556 0.889 ( 0.643 9.026 10.093) 13.556 1.073 ( -1.220 -8.425 -5.595) 10.187 1.073 ( 1.220 -8.425 5.595) 10.187 1.170 ( -1.283 -3.344 -2.739) 4.509 1.170 ( 1.283 -3.344 2.739) 4.509 1.356 ( -2.172 6.456 -1.869) 7.063 1.356 ( 2.172 6.456 1.869) 7.063 1.493 ( 1.425 2.097 -2.947) 3.888 1.493 ( -1.425 2.097 2.947) 3.888 1.570 ( -1.684 3.792 -2.567) 4.879 1.570 ( 1.684 3.792 2.567) 4.879 1.614 ( 0.961 0.394 -2.590) 2.791 1.614 ( -0.961 0.394 2.590) 2.791 1.709 ( -2.356 1.522 -0.357) 2.827 1.709 ( 2.356 1.522 0.357) 2.827 1.781 ( -2.047 1.164 -0.125) 2.358 1.781 ( 2.047 1.164 0.125) 2.358 1.966 ( -1.073 2.680 -2.631) 3.906 1.966 ( 1.073 2.680 2.631) 3.906 1.981 ( -0.587 1.368 -0.931) 1.756 1.981 ( 0.587 1.368 0.931) 1.756 2.023 ( 0.007 -1.101 -2.318) 2.566 2.023 ( -0.007 -1.101 2.318) 2.566 2.062 ( -0.214 -4.141 -1.077) 4.284 2.062 ( 0.214 -4.141 1.077) 4.284 2.344 ( -0.090 -0.392 -1.106) 1.177 2.344 ( 0.090 -0.392 1.106) 1.177 2.397 ( 1.088 -2.116 -1.709) 2.930 2.397 ( -1.088 -2.116 1.709) 2.930 2.564 ( 1.208 -0.614 -0.681) 1.517 2.564 ( -1.208 -0.614 0.681) 1.517 2.600 ( -0.929 0.432 -2.175) 2.404 2.600 ( 0.929 0.432 2.175) 2.404 2.706 ( 0.602 -1.444 -1.087) 1.905 2.706 ( -0.602 -1.444 1.087) 1.905 2.798 ( -1.098 -2.146 -0.544) 2.471 2.798 ( 1.098 -2.146 0.544) 2.471 3.028 ( -2.774 -0.472 -0.692) 2.897 3.028 ( 2.774 -0.472 0.692) 2.897 3.037 ( -2.505 -1.277 -0.586) 2.872 3.037 ( 2.505 -1.277 0.586) 2.872 3.189 ( -3.655 0.174 -0.809) 3.747 3.189 ( 3.655 0.174 0.809) 3.747 3.221 ( -2.140 -2.323 -0.350) 3.178 3.221 ( 2.140 -2.323 0.350) 3.178 3.356 ( 0.583 -0.490 -0.824) 1.122 3.356 ( -0.583 -0.490 0.824) 1.122 3.426 ( 0.913 -0.622 -0.554) 1.235 3.426 ( -0.913 -0.622 0.554) 1.235 3.502 ( -1.407 -1.859 -1.047) 2.555 3.502 ( 1.407 -1.859 1.047) 2.555 3.635 ( -0.239 -0.252 -0.802) 0.874 3.635 ( 0.239 -0.252 0.802) 0.874 3.716 ( 0.107 -1.771 -0.588) 1.870 3.716 ( -0.107 -1.771 0.588) 1.870 3.903 ( -1.128 -1.741 -0.286) 2.094 3.903 ( 1.128 -1.741 0.286) 2.094 4.062 ( 0.151 -0.945 -0.288) 1.000 4.062 ( -0.151 -0.945 0.288) 1.000 4.164 ( -0.869 0.241 -0.807) 1.211 4.164 ( 0.869 0.241 0.807) 1.211 4.304 ( -1.150 -0.332 -1.443) 1.875 4.304 ( 1.150 -0.332 1.443) 1.875 4.340 ( -0.763 -0.026 -1.392) 1.588 4.340 ( 0.763 -0.026 1.392) 1.588 4.504 ( -0.001 1.534 -0.711) 1.690 4.504 ( 0.001 1.534 0.711) 1.690 4.635 ( -1.164 0.060 -0.514) 1.274 4.635 ( 1.164 0.060 0.514) 1.274 4.852 ( -1.914 2.953 -3.342) 4.853 4.852 ( 1.914 2.953 3.342) 4.853 4.890 ( -2.049 -0.771 -3.714) 4.312 4.890 ( 2.049 -0.771 3.714) 4.312 5.035 ( -0.163 -0.997 -1.309) 1.653 5.035 ( 0.163 -0.997 1.309) 1.653 5.074 ( 0.689 -0.263 -0.927) 1.185 5.074 ( -0.689 -0.263 0.927) 1.185 5.187 ( -0.149 1.040 -0.352) 1.108 5.187 ( 0.149 1.040 0.352) 1.108 5.229 ( 0.315 0.151 -0.506) 0.614 5.229 ( -0.315 0.151 0.506) 0.614 5.369 ( 0.880 3.202 -1.119) 3.505 5.369 ( -0.880 3.202 1.119) 3.505 5.404 ( -0.839 0.774 -0.771) 1.378 5.404 ( 0.839 0.774 0.771) 1.378 5.504 ( -0.461 0.723 -0.106) 0.864 5.504 ( 0.461 0.723 0.106) 0.864 5.528 ( -1.066 -0.645 -2.044) 2.394 5.528 ( 1.066 -0.645 2.044) 2.394 5.846 ( -0.190 3.669 -0.212) 3.680 5.846 ( 0.190 3.669 0.212) 3.680 5.944 ( -0.759 -1.237 -0.108) 1.455 5.944 ( 0.759 -1.237 0.108) 1.455 6.634 ( 1.145 2.258 -1.494) 2.940 6.634 ( -1.145 2.258 1.494) 2.940 6.695 ( 1.599 -3.516 -3.123) 4.967 6.695 ( -1.599 -3.516 3.123) 4.967 6.851 ( 0.052 -0.075 -0.407) 0.417 6.851 ( -0.052 -0.075 0.407) 0.417 6.957 ( -0.505 0.092 -0.305) 0.597 6.957 ( 0.505 0.092 0.305) 0.597 7.215 ( 0.550 1.572 -1.099) 1.995 7.215 ( -0.550 1.572 1.099) 1.995 7.252 ( 0.925 0.567 -0.877) 1.395 7.252 ( -0.925 0.567 0.877) 1.395======================= Grid point 107 (51/54) =======================q-point: ( 0.12 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.724 ( -2.083 10.476 -5.465) 11.998 0.816 ( 1.059 6.448 -2.566) 7.020 0.879 ( 2.078 3.196 0.068) 3.813 0.981 ( -3.105 3.004 1.980) 4.752 1.020 ( 2.150 -2.206 2.903) 4.233 1.081 ( -7.693 -2.448 2.974) 8.604 1.136 ( 0.262 -5.911 1.557) 6.119 1.172 ( -5.324 -6.657 3.459) 9.199 1.313 ( 0.406 6.957 -3.084) 7.621 1.351 ( -1.775 2.438 0.005) 3.016 1.477 ( -3.181 2.139 0.819) 3.920 1.483 ( -2.608 6.870 -0.714) 7.383 1.509 ( -3.896 0.164 -0.568) 3.940 1.561 ( -2.798 2.421 -1.508) 3.996 1.609 ( -1.272 -0.104 -1.820) 2.223 1.616 ( -2.511 0.926 -0.061) 2.676 1.634 ( 0.744 2.269 0.848) 2.534 1.684 ( -0.934 -1.834 2.047) 2.903 1.790 ( -0.012 4.809 0.394) 4.825 1.836 ( -1.560 2.576 0.920) 3.149 1.864 ( -4.010 2.502 0.346) 4.739 1.934 ( -6.050 -1.853 0.656) 6.361 1.942 ( -2.288 2.323 -2.178) 3.921 1.971 ( -2.453 1.328 0.559) 2.845 1.986 ( -2.554 1.576 1.072) 3.187 2.014 ( -2.341 -0.851 -0.888) 2.645 2.030 ( -1.706 -3.917 0.257) 4.280 2.052 ( -1.562 -4.182 -0.350) 4.478 2.325 ( -0.978 0.529 0.487) 1.214 2.372 ( -0.476 -2.574 -0.981) 2.795 2.388 ( 1.588 -0.382 1.362) 2.126 2.407 ( 0.285 -2.293 0.967) 2.505 2.533 ( -1.028 1.420 -2.047) 2.695 2.550 ( -0.132 -0.420 -0.350) 0.562 2.589 ( 0.890 -0.543 -1.566) 1.882 2.607 ( -2.265 -1.157 1.189) 2.808 2.675 ( -2.711 -1.217 2.033) 3.600 2.700 ( -0.742 -2.222 1.760) 2.930 2.737 ( -3.911 -1.439 -0.517) 4.199 2.748 ( -3.696 -1.581 -0.741) 4.088 3.055 ( 3.391 -0.134 1.285) 3.629 3.070 ( 3.369 -1.339 0.639) 3.682 3.114 ( 3.141 -0.904 0.228) 3.276 3.130 ( 3.865 -2.283 -0.554) 4.523 3.173 ( 3.255 0.340 0.074) 3.274 3.207 ( 2.702 -2.953 0.847) 4.091 3.279 ( 5.079 -0.112 -1.186) 5.216 3.302 ( 6.168 -1.518 -2.182) 6.717 3.395 ( 2.864 -0.612 1.559) 3.318 3.420 ( 4.776 -1.678 2.760) 5.766 3.476 ( 3.306 1.424 0.178) 3.604 3.488 ( 4.431 -1.128 -0.901) 4.660 3.511 ( 6.331 1.977 0.293) 6.639 3.562 ( 3.905 -2.428 0.720) 4.655 3.633 ( 0.985 -0.058 -0.673) 1.195 3.655 ( 1.253 -1.132 0.577) 1.785 3.734 ( 1.263 -1.533 0.990) 2.219 3.739 ( 1.156 -1.788 0.633) 2.221 3.875 ( 0.684 -0.249 -1.213) 1.415 3.905 ( 1.054 -3.561 -1.766) 4.112 4.007 ( -2.108 -0.843 -4.597) 5.127 4.020 ( -1.322 -1.990 -4.055) 4.706 4.166 ( 0.096 1.836 1.161) 2.174 4.193 ( 0.887 -0.359 0.702) 1.187 4.250 ( -0.814 0.165 -1.807) 1.989 4.280 ( 0.831 -1.884 -1.630) 2.626 4.393 ( 2.094 0.738 -0.275) 2.237 4.407 ( 2.347 -0.513 -0.610) 2.479 4.500 ( 0.404 1.917 3.132) 3.694 4.509 ( -0.105 1.195 4.661) 4.813 4.655 ( 1.910 1.837 1.162) 2.894 4.681 ( 2.124 -0.918 0.084) 2.315 4.790 ( -1.809 1.667 -2.002) 3.172 4.814 ( -2.062 -0.529 -2.941) 3.630 4.932 ( 1.843 2.383 3.111) 4.331 4.958 ( 0.561 -0.145 2.640) 2.703 5.016 ( -0.655 0.614 0.047) 0.899 5.044 ( -0.703 -1.798 1.865) 2.684 5.059 ( -0.559 0.273 -0.689) 0.929 5.080 ( 1.481 -1.220 -1.373) 2.359 5.189 ( -0.918 1.400 2.472) 2.986 5.193 ( -0.925 1.011 1.905) 2.346 5.224 ( -0.534 0.478 -0.978) 1.213 5.229 ( -0.317 -0.098 -0.283) 0.436 5.323 ( -2.621 3.032 -0.883) 4.104 5.344 ( -1.739 1.069 -1.975) 2.840 5.388 ( -0.460 1.205 -1.575) 2.035 5.411 ( -1.338 -0.891 -1.141) 1.971 5.456 ( -0.953 3.816 -0.574) 3.974 5.495 ( -0.473 3.271 0.769) 3.394 5.514 ( 0.168 -1.634 0.024) 1.643 5.563 ( 0.314 -2.357 1.314) 2.717 5.829 ( -1.605 3.728 0.377) 4.076 5.850 ( -0.521 2.658 0.312) 2.727 5.910 ( -2.638 -0.034 -0.374) 2.664 5.935 ( -1.560 -1.439 -0.517) 2.185 6.628 ( -0.189 1.840 0.583) 1.939 6.651 ( 1.067 0.460 -1.256) 1.711 6.697 ( 1.885 -1.617 -2.243) 3.347 6.714 ( 0.832 -2.619 1.197) 2.997 6.865 ( 1.972 0.172 -0.611) 2.072 6.873 ( 2.077 -0.656 0.044) 2.178 6.953 ( 0.525 1.173 0.249) 1.309 6.974 ( 1.207 -1.020 0.350) 1.618 7.206 ( -1.240 1.883 0.932) 2.439 7.211 ( -0.729 1.074 0.349) 1.344 7.226 ( -1.614 2.079 -0.136) 2.635 7.254 ( 0.116 -0.675 -1.022) 1.230======================= Grid point 108 (52/54) =======================q-point: ( 0.25 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( 0.702 6.769 0.063) 6.806 0.825 ( -8.163 -5.048 0.239) 9.601 0.837 ( -0.995 6.785 0.434) 6.871 0.936 ( -7.719 -1.000 -1.071) 7.856 0.944 ( -4.453 8.206 2.444) 9.651 1.034 ( -6.490 -4.042 2.624) 8.084 1.060 ( -4.959 0.506 0.318) 4.995 1.150 ( 0.720 -6.797 1.327) 6.962 1.262 ( -2.350 3.791 1.601) 4.739 1.325 ( -4.513 -0.408 0.811) 4.603 1.394 ( -6.728 -1.189 0.771) 6.875 1.416 ( -7.097 -0.989 2.041) 7.451 1.464 ( -0.626 0.674 -1.770) 1.995 1.486 ( -1.222 0.694 -1.425) 2.001 1.562 ( 3.341 5.545 -0.549) 6.497 1.592 ( -1.526 3.798 -1.256) 4.282 1.664 ( 2.341 3.472 -1.363) 4.404 1.716 ( -0.165 -0.125 1.320) 1.336 1.740 ( -1.644 3.867 -0.330) 4.215 1.744 ( -3.941 2.260 -1.133) 4.682 1.804 ( -5.339 2.764 1.108) 6.113 1.874 ( -1.163 -0.548 0.623) 1.429 1.898 ( -0.735 0.818 -0.293) 1.138 1.942 ( 0.025 2.936 -1.674) 3.379 1.970 ( -1.775 -4.893 3.114) 6.066 1.977 ( 1.256 2.235 -0.799) 2.685 2.014 ( 0.585 -2.856 -0.735) 3.007 2.042 ( 1.373 -2.860 0.451) 3.204 2.315 ( -2.799 -1.222 -0.592) 3.111 2.323 ( -1.855 -2.014 1.067) 2.939 2.396 ( -1.315 0.988 0.416) 1.697 2.427 ( 0.774 -1.777 -1.497) 2.449 2.520 ( 0.602 1.706 -1.041) 2.087 2.551 ( 0.394 -1.635 -0.675) 1.812 2.567 ( -2.768 0.509 -0.631) 2.885 2.573 ( -3.379 -0.948 -0.216) 3.516 2.644 ( -2.750 -2.612 1.528) 4.089 2.651 ( -2.552 -2.258 -1.212) 3.617 2.706 ( 0.791 1.179 0.583) 1.534 2.749 ( 0.222 -3.157 2.116) 3.807 3.100 ( 0.876 0.599 -1.164) 1.575 3.124 ( 1.463 0.161 0.074) 1.474 3.139 ( 1.477 -2.052 -1.625) 3.005 3.143 ( 0.149 -2.623 2.367) 3.536 3.261 ( 4.714 1.227 -0.289) 4.879 3.300 ( 4.915 -2.436 0.064) 5.486 3.356 ( 3.899 0.354 -0.339) 3.930 3.390 ( 3.892 -2.452 -0.651) 4.646 3.457 ( 2.612 -0.385 0.664) 2.722 3.481 ( 1.516 -2.755 -0.095) 3.146 3.533 ( 2.723 3.244 1.186) 4.399 3.586 ( 3.435 -1.258 2.277) 4.309 3.608 ( 1.873 2.211 -0.319) 2.916 3.669 ( 2.056 -1.487 0.170) 2.543 3.683 ( 7.904 0.094 -0.492) 7.920 3.708 ( 3.662 -2.355 -1.004) 4.468 3.768 ( 4.095 -0.242 0.333) 4.116 3.788 ( 5.176 -2.008 0.055) 5.552 3.907 ( 1.377 1.139 0.241) 1.804 3.939 ( 3.273 -0.786 0.128) 3.368 3.968 ( 0.736 -2.918 -1.672) 3.442 3.981 ( 2.470 -2.818 -1.277) 3.959 4.180 ( 0.729 1.410 0.376) 1.631 4.215 ( 1.144 -2.101 -0.462) 2.436 4.235 ( 0.336 2.256 -0.762) 2.405 4.288 ( 0.709 -2.540 -1.123) 2.866 4.400 ( 0.612 -0.072 -1.662) 1.773 4.407 ( 0.565 -0.670 -2.537) 2.684 4.576 ( 2.390 3.139 3.251) 5.112 4.594 ( 2.327 1.510 5.662) 6.305 4.686 ( 1.047 1.553 -1.713) 2.538 4.713 ( 1.929 -0.462 0.491) 2.043 4.746 ( -1.595 -0.170 -0.185) 1.615 4.758 ( -1.387 -1.258 -0.658) 1.985 4.946 ( -1.966 1.104 -0.810) 2.396 4.958 ( -0.504 0.077 0.121) 0.524 5.006 ( -0.663 1.124 -0.619) 1.444 5.017 ( -1.573 0.690 -0.100) 1.720 5.096 ( 1.184 -0.050 2.406) 2.682 5.113 ( 1.996 -1.189 0.919) 2.498 5.147 ( -3.598 2.170 -0.037) 4.202 5.168 ( -3.213 0.736 -0.050) 3.296 5.200 ( -0.358 1.021 -1.468) 1.823 5.219 ( -0.624 -0.270 0.110) 0.689 5.295 ( -0.724 0.848 -0.076) 1.118 5.301 ( -0.311 0.151 0.211) 0.405 5.366 ( 0.204 2.107 -0.934) 2.313 5.396 ( 0.564 -0.703 -0.694) 1.137 5.456 ( 0.409 3.180 0.082) 3.207 5.490 ( -0.191 1.041 -0.795) 1.324 5.530 ( 0.534 0.674 1.197) 1.474 5.574 ( -0.822 -2.202 1.963) 3.062 5.799 ( -1.948 3.150 0.494) 3.736 5.824 ( -2.394 2.413 -0.223) 3.407 5.849 ( -3.252 0.106 -0.156) 3.258 5.878 ( -3.381 -0.935 -1.541) 3.832 6.633 ( 0.446 1.144 0.067) 1.230 6.658 ( 1.303 -1.157 -0.967) 1.992 6.702 ( 1.392 1.546 -2.695) 3.405 6.742 ( 0.648 -2.649 0.734) 2.824 6.902 ( 2.283 0.230 -0.199) 2.303 6.916 ( 2.157 -1.186 0.297) 2.479 6.984 ( 1.662 1.267 1.481) 2.562 7.010 ( 1.670 -1.332 1.099) 2.402 7.190 ( -1.515 1.797 0.621) 2.431 7.201 ( -0.524 0.643 0.602) 1.024 7.208 ( 0.479 2.554 -1.060) 2.806 7.244 ( 0.271 -1.145 -1.229) 1.701======================= Grid point 109 (53/54) =======================q-point: ( 0.38 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.580 ( -13.022 5.166 0.189) 14.011 0.639 ( -10.089 2.014 1.402) 10.383 0.721 ( -7.684 1.437 -3.388) 8.520 0.827 ( -6.821 -5.624 -2.720) 9.250 0.866 ( -0.419 2.412 2.800) 3.719 0.961 ( -4.554 -6.048 2.374) 7.934 1.085 ( 4.727 5.381 -0.835) 7.211 1.104 ( -6.143 3.157 -0.685) 6.940 1.159 ( -10.743 -1.311 -2.806) 11.180 1.220 ( 0.384 -2.608 -1.333) 2.954 1.342 ( 1.375 -0.399 5.214) 5.407 1.402 ( -2.674 -3.975 6.841) 8.351 1.458 ( 1.428 2.471 -0.413) 2.883 1.484 ( 0.065 0.227 -0.759) 0.795 1.567 ( -0.703 5.253 1.544) 5.520 1.613 ( -1.612 0.917 -1.536) 2.408 1.654 ( 0.321 5.488 1.221) 5.631 1.683 ( -0.404 3.288 -1.647) 3.699 1.729 ( 0.729 4.909 -0.077) 4.963 1.769 ( 1.090 2.055 -0.033) 2.326 1.795 ( 3.550 2.038 1.447) 4.341 1.864 ( 0.630 -4.236 -2.017) 4.734 1.891 ( 0.801 1.670 -0.017) 1.852 1.958 ( 2.147 1.746 -0.014) 2.767 1.972 ( -0.806 -2.677 1.093) 3.001 2.012 ( 4.650 -1.564 -3.052) 5.778 2.064 ( 4.552 0.477 0.749) 4.637 2.111 ( 3.900 -3.633 2.060) 5.714 2.238 ( -4.274 1.595 0.439) 4.583 2.287 ( -4.606 -3.308 1.943) 5.995 2.383 ( -1.438 0.230 0.557) 1.559 2.406 ( -1.193 -1.678 -1.623) 2.622 2.479 ( -2.646 0.694 -0.787) 2.846 2.487 ( -3.688 -0.909 -0.959) 3.918 2.524 ( -1.036 0.864 -0.316) 1.386 2.546 ( -0.481 -0.643 -1.976) 2.133 2.599 ( -1.822 -0.782 0.296) 2.005 2.632 ( -0.620 -3.253 0.894) 3.430 2.705 ( -0.705 -0.111 -2.389) 2.494 2.726 ( -2.325 -2.304 -2.237) 3.965 3.121 ( 3.020 0.589 -1.542) 3.442 3.128 ( 1.468 -0.123 -1.067) 1.819 3.152 ( -0.691 -0.151 1.539) 1.694 3.177 ( -0.082 -3.286 1.844) 3.769 3.324 ( 2.377 0.710 -0.417) 2.516 3.351 ( 1.315 -2.044 -1.422) 2.816 3.399 ( 1.219 0.158 0.254) 1.255 3.413 ( -0.265 -1.020 0.405) 1.129 3.507 ( 2.370 1.435 0.627) 2.841 3.544 ( 2.721 -0.610 2.111) 3.498 3.584 ( 1.852 0.335 -0.024) 1.882 3.629 ( 1.757 -1.775 0.451) 2.538 3.666 ( 1.943 -0.066 3.146) 3.698 3.687 ( 0.597 -2.465 0.612) 2.609 3.736 ( 2.115 0.330 -1.988) 2.922 3.752 ( 2.658 -0.770 -2.059) 3.449 3.877 ( 3.777 0.716 0.310) 3.857 3.896 ( 4.420 -1.014 -0.798) 4.605 3.953 ( 2.689 1.679 1.266) 3.414 3.984 ( 1.971 -0.058 0.108) 1.974 4.015 ( 3.369 -1.887 1.506) 4.145 4.037 ( 2.411 -2.702 1.620) 3.967 4.187 ( -0.762 1.889 -0.135) 2.042 4.199 ( -0.221 0.276 -2.253) 2.281 4.266 ( 2.148 -1.593 -0.297) 2.691 4.284 ( 0.281 -2.829 -0.078) 2.844 4.384 ( -0.316 -0.581 -2.458) 2.545 4.396 ( 0.228 -1.875 -1.563) 2.451 4.593 ( -0.602 3.152 -0.767) 3.299 4.625 ( -1.536 0.343 -0.671) 1.711 4.714 ( 1.886 3.545 0.191) 4.020 4.734 ( 0.871 0.847 1.513) 1.941 4.762 ( 1.557 -1.229 2.198) 2.961 4.797 ( 2.270 -3.482 2.835) 5.031 4.893 ( -1.027 3.439 -1.195) 3.783 4.942 ( -0.392 -1.208 -0.821) 1.512 4.989 ( -0.384 0.868 -0.528) 1.086 4.999 ( -0.756 0.007 0.437) 0.873 5.078 ( -1.208 3.087 0.243) 3.324 5.113 ( -1.480 -0.179 0.168) 1.500 5.145 ( -0.325 1.100 -1.315) 1.745 5.151 ( -0.051 -0.545 0.616) 0.825 5.170 ( -0.594 0.079 -1.165) 1.310 5.182 ( -1.892 -0.299 -1.596) 2.493 5.309 ( 0.813 0.858 2.642) 2.895 5.321 ( 0.786 -0.075 2.030) 2.178 5.374 ( 0.761 2.099 0.317) 2.255 5.401 ( 0.480 -0.417 -0.679) 0.930 5.464 ( 0.414 1.543 0.646) 1.723 5.486 ( 0.757 -0.094 -0.684) 1.025 5.537 ( -0.789 1.604 0.015) 1.788 5.566 ( -1.795 -0.939 0.947) 2.237 5.755 ( -2.333 2.427 -1.127) 3.550 5.783 ( -2.408 1.657 -0.891) 3.056 5.792 ( -1.647 0.077 -0.134) 1.654 5.814 ( -1.837 -0.185 -0.038) 1.847 6.650 ( 0.959 1.267 0.606) 1.701 6.681 ( 1.464 -1.583 -0.175) 2.164 6.698 ( 0.757 1.767 -1.842) 2.662 6.744 ( -0.528 -2.768 -0.376) 2.843 6.937 ( 1.455 0.094 0.163) 1.467 6.949 ( 0.978 -0.989 0.306) 1.424 7.025 ( 0.813 0.817 1.691) 2.047 7.041 ( 0.482 -0.881 0.813) 1.292 7.177 ( -0.229 2.179 0.488) 2.244 7.195 ( 0.444 0.681 -1.542) 1.743 7.221 ( 0.827 1.054 0.536) 1.443 7.242 ( 0.580 -0.769 -1.146) 1.496======================= Grid point 110 (54/54) =======================q-point: (-0.50 0.40 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.471 ( -3.206 10.188 -0.094) 10.681 0.471 ( 3.206 10.188 0.094) 10.681 0.688 ( -2.974 -7.825 -1.563) 8.516 0.688 ( 2.974 -7.825 1.563) 8.516 0.905 ( -2.960 -1.970 -0.220) 3.562 0.905 ( 2.960 -1.970 0.220) 3.562 1.014 ( -1.121 0.113 -0.736) 1.346 1.014 ( 1.121 0.113 0.736) 1.346 1.200 ( -2.446 3.408 0.232) 4.201 1.200 ( 2.446 3.408 -0.232) 4.201 1.395 ( 3.186 -4.043 -2.525) 5.734 1.395 ( -3.186 -4.043 2.525) 5.734 1.478 ( 2.096 2.703 -3.020) 4.563 1.478 ( -2.096 2.703 3.020) 4.563 1.580 ( 0.978 2.983 -2.528) 4.030 1.580 ( -0.978 2.983 2.528) 4.030 1.659 ( 0.844 5.742 -3.054) 6.558 1.659 ( -0.844 5.742 3.054) 6.558 1.760 ( 0.509 1.969 -2.941) 3.575 1.760 ( -0.509 1.969 2.941) 3.575 1.858 ( -0.405 -0.412 -1.657) 1.754 1.858 ( 0.405 -0.412 1.657) 1.754 1.936 ( -3.577 -0.914 0.493) 3.725 1.936 ( 3.577 -0.914 -0.493) 3.725 2.026 ( -3.263 0.309 -1.730) 3.706 2.026 ( 3.263 0.309 1.730) 3.706 2.126 ( -3.923 -3.251 0.376) 5.109 2.126 ( 3.923 -3.251 -0.376) 5.109 2.259 ( -2.696 0.912 -0.326) 2.865 2.259 ( 2.696 0.912 0.326) 2.865 2.338 ( -1.182 -2.127 -1.727) 2.984 2.338 ( 1.182 -2.127 1.727) 2.984 2.457 ( 1.032 -0.342 -1.394) 1.768 2.457 ( -1.032 -0.342 1.394) 1.768 2.512 ( 0.112 0.192 -1.210) 1.230 2.512 ( -0.112 0.192 1.210) 1.230 2.617 ( -1.275 -0.067 -2.498) 2.806 2.617 ( 1.275 -0.067 2.498) 2.806 2.675 ( -0.092 -2.375 -1.973) 3.089 2.675 ( 0.092 -2.375 1.973) 3.089 3.143 ( 1.789 0.507 -2.203) 2.882 3.143 ( -1.789 0.507 2.203) 2.882 3.168 ( 1.587 -1.990 -2.652) 3.675 3.168 ( -1.587 -1.990 2.652) 3.675 3.347 ( -0.138 -0.994 -0.637) 1.189 3.347 ( 0.138 -0.994 0.637) 1.189 3.410 ( 0.269 -0.493 -0.295) 0.634 3.410 ( -0.269 -0.493 0.295) 0.634 3.550 ( -1.127 3.248 -1.015) 3.585 3.550 ( 1.127 3.248 1.015) 3.585 3.629 ( -1.212 -3.909 -1.276) 4.287 3.629 ( 1.212 -3.909 1.276) 4.287 3.718 ( -0.337 -0.640 -1.559) 1.719 3.718 ( 0.337 -0.640 1.559) 1.719 3.748 ( -0.955 0.421 -1.471) 1.804 3.748 ( 0.955 0.421 1.471) 1.804 3.913 ( -0.103 -0.014 -1.452) 1.456 3.913 ( 0.103 -0.014 1.452) 1.456 3.995 ( -0.742 1.148 -0.403) 1.425 3.995 ( 0.742 1.148 0.403) 1.425 4.076 ( 0.257 -2.481 -1.177) 2.758 4.076 ( -0.257 -2.481 1.177) 2.758 4.173 ( -0.066 1.170 -1.167) 1.654 4.173 ( 0.066 1.170 1.167) 1.654 4.289 ( -1.133 -2.697 -0.081) 2.926 4.289 ( 1.133 -2.697 0.081) 2.926 4.375 ( -0.779 -1.304 -0.822) 1.728 4.375 ( 0.779 -1.304 0.822) 1.728 4.592 ( -0.814 1.677 -0.643) 1.972 4.592 ( 0.814 1.677 0.643) 1.972 4.738 ( -0.589 0.433 -0.883) 1.146 4.738 ( 0.589 0.433 0.883) 1.146 4.808 ( -0.547 1.186 -1.317) 1.855 4.808 ( 0.547 1.186 1.317) 1.855 4.922 ( -1.225 -0.534 -1.596) 2.081 4.922 ( 1.225 -0.534 1.596) 2.081 4.989 ( -0.345 0.467 -0.428) 0.721 4.989 ( 0.345 0.467 0.428) 0.721 5.093 ( -1.319 2.277 -2.382) 3.549 5.093 ( 1.319 2.277 2.382) 3.549 5.117 ( -0.896 -0.271 -1.861) 2.084 5.117 ( 0.896 -0.271 1.861) 2.084 5.165 ( 0.311 -0.969 -0.602) 1.183 5.165 ( -0.311 -0.969 0.602) 1.183 5.340 ( 0.159 1.478 -0.716) 1.650 5.340 ( -0.159 1.478 0.716) 1.650 5.394 ( -0.316 0.160 -1.258) 1.307 5.394 ( 0.316 0.160 1.258) 1.307 5.494 ( -1.174 1.784 -1.575) 2.654 5.494 ( 1.174 1.784 1.575) 2.654 5.524 ( -2.099 -0.724 -0.642) 2.312 5.524 ( 2.099 -0.724 0.642) 2.312 5.735 ( -0.593 0.943 -0.496) 1.219 5.735 ( 0.593 0.943 0.496) 1.219 5.793 ( -0.079 0.771 -0.459) 0.900 5.793 ( 0.079 0.771 0.459) 0.900 6.675 ( 0.413 1.491 -2.386) 2.844 6.675 ( -0.413 1.491 2.386) 2.844 6.721 ( 0.733 -2.241 -2.672) 3.563 6.721 ( -0.733 -2.241 2.672) 3.563 6.956 ( -0.331 -0.361 0.001) 0.489 6.956 ( 0.331 -0.361 -0.001) 0.489 7.044 ( -0.086 -0.068 -0.692) 0.701 7.044 ( 0.086 -0.068 0.692) 0.701 7.186 ( 0.101 1.546 -1.395) 2.085 7.186 ( -0.101 1.546 1.395) 2.085 7.237 ( -0.084 -0.112 -0.925) 0.936 7.237 ( 0.084 -0.112 0.925) 0.936=================== 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 3/17280 10.0 6.613 7.910 3.862 0.000 -0.503 0.000 3/17280 20.0 3.085 3.454 2.014 0.000 -0.262 0.000 3/17280 30.0 1.948 2.088 1.290 0.000 -0.153 0.000 3/17280 40.0 1.384 1.438 0.917 0.000 -0.100 0.000 3/17280 50.0 1.060 1.078 0.701 0.000 -0.072 0.000 3/17280 60.0 0.856 0.857 0.565 0.000 -0.055 0.000 3/17280 70.0 0.717 0.711 0.473 0.000 -0.045 0.000 3/17280 80.0 0.618 0.608 0.407 0.000 -0.037 0.000 3/17280 90.0 0.543 0.532 0.358 0.000 -0.032 0.000 3/17280 100.0 0.485 0.473 0.319 0.000 -0.028 0.000 3/17280 110.0 0.438 0.427 0.289 0.000 -0.025 0.000 3/17280 120.0 0.400 0.389 0.263 0.000 -0.023 0.000 3/17280 130.0 0.368 0.357 0.242 0.000 -0.021 0.000 3/17280 140.0 0.341 0.330 0.225 0.000 -0.019 0.000 3/17280 150.0 0.317 0.307 0.209 0.000 -0.017 0.000 3/17280 160.0 0.297 0.288 0.196 0.000 -0.016 0.000 3/17280 170.0 0.279 0.270 0.184 0.000 -0.015 0.000 3/17280 180.0 0.263 0.255 0.174 0.000 -0.014 0.000 3/17280 190.0 0.249 0.241 0.165 0.000 -0.013 0.000 3/17280 200.0 0.237 0.229 0.156 0.000 -0.013 0.000 3/17280 210.0 0.225 0.218 0.149 0.000 -0.012 0.000 3/17280 220.0 0.215 0.208 0.142 0.000 -0.012 0.000 3/17280 230.0 0.206 0.199 0.136 0.000 -0.011 0.000 3/17280 240.0 0.197 0.190 0.130 0.000 -0.011 0.000 3/17280 250.0 0.189 0.183 0.125 0.000 -0.010 0.000 3/17280 260.0 0.182 0.175 0.120 0.000 -0.010 0.000 3/17280 270.0 0.175 0.169 0.116 0.000 -0.009 0.000 3/17280 280.0 0.169 0.163 0.112 0.000 -0.009 0.000 3/17280 290.0 0.163 0.157 0.108 0.000 -0.009 0.000 3/17280 300.0 0.157 0.152 0.104 0.000 -0.008 0.000 3/17280 310.0 0.152 0.147 0.101 0.000 -0.008 0.000 3/17280 320.0 0.148 0.142 0.098 0.000 -0.008 0.000 3/17280 330.0 0.143 0.138 0.095 0.000 -0.008 0.000 3/17280 340.0 0.139 0.134 0.092 0.000 -0.007 0.000 3/17280 350.0 0.135 0.130 0.089 0.000 -0.007 0.000 3/17280 360.0 0.131 0.127 0.087 0.000 -0.007 0.000 3/17280 370.0 0.128 0.123 0.084 0.000 -0.007 0.000 3/17280 380.0 0.124 0.120 0.082 0.000 -0.007 0.000 3/17280 390.0 0.121 0.117 0.080 0.000 -0.006 0.000 3/17280 400.0 0.118 0.114 0.078 0.000 -0.006 0.000 3/17280 410.0 0.115 0.111 0.076 0.000 -0.006 0.000 3/17280 420.0 0.112 0.108 0.074 0.000 -0.006 0.000 3/17280 430.0 0.110 0.106 0.073 0.000 -0.006 0.000 3/17280 440.0 0.107 0.103 0.071 0.000 -0.006 0.000 3/17280 450.0 0.105 0.101 0.069 0.000 -0.006 0.000 3/17280 460.0 0.103 0.099 0.068 0.000 -0.005 0.000 3/17280 470.0 0.100 0.097 0.066 0.000 -0.005 0.000 3/17280 480.0 0.098 0.095 0.065 0.000 -0.005 0.000 3/17280 490.0 0.096 0.093 0.064 0.000 -0.005 0.000 3/17280 500.0 0.094 0.091 0.062 0.000 -0.005 0.000 3/17280 510.0 0.093 0.089 0.061 0.000 -0.005 0.000 3/17280 520.0 0.091 0.088 0.060 0.000 -0.005 0.000 3/17280 530.0 0.089 0.086 0.059 0.000 -0.005 0.000 3/17280 540.0 0.087 0.084 0.058 0.000 -0.005 0.000 3/17280 550.0 0.086 0.083 0.057 0.000 -0.005 0.000 3/17280 560.0 0.084 0.081 0.056 0.000 -0.004 0.000 3/17280 570.0 0.083 0.080 0.055 0.000 -0.004 0.000 3/17280 580.0 0.081 0.079 0.054 0.000 -0.004 0.000 3/17280 590.0 0.080 0.077 0.053 0.000 -0.004 0.000 3/17280 600.0 0.079 0.076 0.052 0.000 -0.004 0.000 3/17280 610.0 0.077 0.075 0.051 0.000 -0.004 0.000 3/17280 620.0 0.076 0.073 0.050 0.000 -0.004 0.000 3/17280 630.0 0.075 0.072 0.050 0.000 -0.004 0.000 3/17280 640.0 0.074 0.071 0.049 0.000 -0.004 0.000 3/17280 650.0 0.073 0.070 0.048 0.000 -0.004 0.000 3/17280 660.0 0.072 0.069 0.047 0.000 -0.004 0.000 3/17280 670.0 0.070 0.068 0.047 0.000 -0.004 0.000 3/17280 680.0 0.069 0.067 0.046 0.000 -0.004 0.000 3/17280 690.0 0.068 0.066 0.045 0.000 -0.004 0.000 3/17280 700.0 0.067 0.065 0.045 0.000 -0.004 0.000 3/17280 710.0 0.067 0.064 0.044 0.000 -0.004 0.000 3/17280 720.0 0.066 0.063 0.043 0.000 -0.003 0.000 3/17280 730.0 0.065 0.062 0.043 0.000 -0.003 0.000 3/17280 740.0 0.064 0.062 0.042 0.000 -0.003 0.000 3/17280 750.0 0.063 0.061 0.042 0.000 -0.003 0.000 3/17280 760.0 0.062 0.060 0.041 0.000 -0.003 0.000 3/17280 770.0 0.061 0.059 0.041 0.000 -0.003 0.000 3/17280 780.0 0.061 0.058 0.040 0.000 -0.003 0.000 3/17280 790.0 0.060 0.058 0.040 0.000 -0.003 0.000 3/17280 800.0 0.059 0.057 0.039 0.000 -0.003 0.000 3/17280 810.0 0.058 0.056 0.039 0.000 -0.003 0.000 3/17280 820.0 0.058 0.056 0.038 0.000 -0.003 0.000 3/17280 830.0 0.057 0.055 0.038 0.000 -0.003 0.000 3/17280 840.0 0.056 0.054 0.037 0.000 -0.003 0.000 3/17280 850.0 0.056 0.054 0.037 0.000 -0.003 0.000 3/17280 860.0 0.055 0.053 0.036 0.000 -0.003 0.000 3/17280 870.0 0.054 0.052 0.036 0.000 -0.003 0.000 3/17280 880.0 0.054 0.052 0.036 0.000 -0.003 0.000 3/17280 890.0 0.053 0.051 0.035 0.000 -0.003 0.000 3/17280 900.0 0.052 0.051 0.035 0.000 -0.003 0.000 3/17280 910.0 0.052 0.050 0.034 0.000 -0.003 0.000 3/17280 920.0 0.051 0.050 0.034 0.000 -0.003 0.000 3/17280 930.0 0.051 0.049 0.034 0.000 -0.003 0.000 3/17280 940.0 0.050 0.048 0.033 0.000 -0.003 0.000 3/17280 950.0 0.050 0.048 0.033 0.000 -0.003 0.000 3/17280 960.0 0.049 0.047 0.033 0.000 -0.003 0.000 3/17280 970.0 0.049 0.047 0.032 0.000 -0.003 0.000 3/17280 980.0 0.048 0.046 0.032 0.000 -0.003 0.000 3/17280 990.0 0.048 0.046 0.032 0.000 -0.003 0.000 3/17280 1000.0 0.047 0.046 0.031 0.000 -0.002 0.000 3/17280Thermal conductivity related properties were written into "kappa-m854.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 20:38:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | 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