----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:58:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.086831120000000 -7.191416214999999 0.000000000000000 b 3.086831120000000 7.191416214999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.804645919999999 Atomic positions (fractional): *1 F 0.61515773425045 0.81758779534150 0.46303191215098 18.998 2 F 0.81758779534150 0.61515773425045 0.53696808784903 18.998 3 F 0.88484226574955 0.68241220465850 0.96303191215097 18.998 4 F 0.68241220465850 0.88484226574955 0.03696808784902 18.998 5 F 0.38484226574955 0.18241220465850 0.53696808784903 18.998 6 F 0.18241220465850 0.38484226574955 0.46303191215098 18.998 7 F 0.11515773425045 0.31758779534150 0.03696808784902 18.998 8 F 0.31758779534150 0.11515773425045 0.96303191215097 18.998 *9 F 0.47467207055731 0.52532792944269 0.64551457480942 18.998 10 F 0.52532792944269 0.47467207055731 0.35448542519058 18.998 11 F 0.02532792944269 0.97467207055731 0.14551457480942 18.998 12 F 0.97467207055731 0.02532792944269 0.85448542519058 18.998 *13 F 0.75709001773047 0.24290998226953 0.64994433899260 18.998 14 F 0.24290998226953 0.75709001773047 0.35005566100740 18.998 *15 F 0.36317805880944 0.13682194119056 0.75000000000000 18.998 16 F 0.13682194119056 0.36317805880944 0.25000000000000 18.998 17 F 0.63682194119056 0.86317805880944 0.25000000000000 18.998 18 F 0.86317805880944 0.63682194119056 0.75000000000000 18.998 19 F 0.25709001773047 0.74290998226953 0.85005566100740 18.998 20 F 0.74290998226953 0.25709001773047 0.14994433899260 18.998 *21 Zn 0.62256543059744 0.37743456940256 0.65490801737761 65.380 22 Zn 0.37743456940256 0.62256543059744 0.34509198262239 65.380 23 Zn 0.87743456940256 0.12256543059744 0.15490801737761 65.380 24 Zn 0.12256543059744 0.87743456940256 0.84509198262239 65.380 *25 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 26 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 *27 Cs 0.25659871825687 0.74340128174313 0.61066659714980 132.905 28 Cs 0.74340128174313 0.25659871825688 0.38933340285020 132.905 29 Cs 0.24340128174312 0.75659871825687 0.11066659714980 132.905 30 Cs 0.75659871825687 0.24340128174313 0.88933340285020 132.905 *31 Cs 0.95762135618773 0.04237864381227 0.63868084015505 132.905 32 Cs 0.04237864381227 0.95762135618773 0.36131915984495 132.905 33 Cs 0.54237864381227 0.45762135618773 0.13868084015505 132.905 34 Cs 0.45762135618773 0.54237864381227 0.86131915984495 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.173662240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.382832429999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.804645919999999 Atomic positions (fractional): *1 F 0.71637276479598 0.10121503054553 0.46303191215098 18.998 > 1 2 F 0.21637276479598 0.39878496945447 0.53696808784903 18.998 > 2 3 F 0.28362723520402 0.39878496945447 0.96303191215097 18.998 > 3 4 F 0.78362723520402 0.10121503054553 0.03696808784902 18.998 > 4 5 F 0.78362723520402 0.39878496945447 0.53696808784903 18.998 > 5 6 F 0.28362723520402 0.10121503054553 0.46303191215098 18.998 > 6 7 F 0.21637276479598 0.10121503054553 0.03696808784902 18.998 > 7 8 F 0.71637276479598 0.39878496945447 0.96303191215097 18.998 > 8 *9 F 0.50000000000000 0.02532792944269 0.64551457480942 18.998 > 9 10 F 0.00000000000000 0.47467207055731 0.35448542519058 18.998 > 10 11 F 0.50000000000000 0.47467207055731 0.14551457480942 18.998 > 11 12 F 0.00000000000000 0.02532792944269 0.85448542519058 18.998 > 12 *13 F 0.00000000000000 0.24290998226953 0.64994433899260 18.998 > 13 14 F 0.50000000000000 0.25709001773047 0.35005566100740 18.998 > 14 *15 F 0.75000000000000 0.38682194119056 0.75000000000000 18.998 > 15 16 F 0.25000000000000 0.11317805880944 0.25000000000000 18.998 > 16 17 F 0.75000000000000 0.11317805880944 0.25000000000000 18.998 > 17 18 F 0.25000000000000 0.38682194119056 0.75000000000000 18.998 > 18 19 F 0.50000000000000 0.24290998226953 0.85005566100740 18.998 > 19 20 F 0.00000000000000 0.25709001773047 0.14994433899260 18.998 > 20 21 F 0.21637276479598 0.60121503054553 0.46303191215098 18.998 > 1 22 F 0.71637276479598 0.89878496945447 0.53696808784903 18.998 > 2 23 F 0.78362723520402 0.89878496945447 0.96303191215097 18.998 > 3 24 F 0.28362723520402 0.60121503054553 0.03696808784902 18.998 > 4 25 F 0.28362723520402 0.89878496945447 0.53696808784903 18.998 > 5 26 F 0.78362723520402 0.60121503054553 0.46303191215098 18.998 > 6 27 F 0.71637276479598 0.60121503054553 0.03696808784902 18.998 > 7 28 F 0.21637276479598 0.89878496945447 0.96303191215097 18.998 > 8 29 F 0.00000000000000 0.52532792944269 0.64551457480942 18.998 > 9 30 F 0.50000000000000 0.97467207055731 0.35448542519058 18.998 > 10 31 F 0.00000000000000 0.97467207055731 0.14551457480942 18.998 > 11 32 F 0.50000000000000 0.52532792944269 0.85448542519058 18.998 > 12 33 F 0.50000000000000 0.74290998226953 0.64994433899260 18.998 > 13 34 F 0.00000000000000 0.75709001773047 0.35005566100740 18.998 > 14 35 F 0.25000000000000 0.88682194119056 0.75000000000000 18.998 > 15 36 F 0.75000000000000 0.61317805880944 0.25000000000000 18.998 > 16 37 F 0.25000000000000 0.61317805880944 0.25000000000000 18.998 > 17 38 F 0.75000000000000 0.88682194119056 0.75000000000000 18.998 > 18 39 F 0.00000000000000 0.74290998226953 0.85005566100740 18.998 > 19 40 F 0.50000000000000 0.75709001773047 0.14994433899260 18.998 > 20 *41 Zn 0.00000000000000 0.37743456940256 0.65490801737761 65.380 > 21 42 Zn 0.50000000000000 0.12256543059744 0.34509198262239 65.380 > 22 43 Zn 0.00000000000000 0.12256543059744 0.15490801737761 65.380 > 23 44 Zn 0.50000000000000 0.37743456940256 0.84509198262239 65.380 > 24 *45 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 25 46 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 26 47 Zn 0.50000000000000 0.87743456940256 0.65490801737761 65.380 > 21 48 Zn 0.00000000000000 0.62256543059744 0.34509198262239 65.380 > 22 49 Zn 0.50000000000000 0.62256543059744 0.15490801737761 65.380 > 23 50 Zn 0.00000000000000 0.87743456940256 0.84509198262239 65.380 > 24 51 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 25 52 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 26 *53 Cs 0.50000000000000 0.24340128174313 0.61066659714980 132.905 > 27 54 Cs 0.00000000000000 0.25659871825688 0.38933340285020 132.905 > 28 55 Cs 0.50000000000000 0.25659871825688 0.11066659714980 132.905 > 29 56 Cs 0.00000000000000 0.24340128174313 0.88933340285020 132.905 > 30 *57 Cs 0.00000000000000 0.04237864381227 0.63868084015505 132.905 > 31 58 Cs 0.50000000000000 0.45762135618773 0.36131915984495 132.905 > 32 59 Cs 0.00000000000000 0.45762135618773 0.13868084015505 132.905 > 33 60 Cs 0.50000000000000 0.04237864381227 0.86131915984495 132.905 > 34 61 Cs 0.00000000000000 0.74340128174313 0.61066659714980 132.905 > 27 62 Cs 0.50000000000000 0.75659871825687 0.38933340285020 132.905 > 28 63 Cs 0.00000000000000 0.75659871825687 0.11066659714980 132.905 > 29 64 Cs 0.50000000000000 0.74340128174313 0.88933340285020 132.905 > 30 65 Cs 0.50000000000000 0.54237864381227 0.63868084015505 132.905 > 31 66 Cs 0.00000000000000 0.95762135618773 0.36131915984495 132.905 > 32 67 Cs 0.50000000000000 0.95762135618773 0.13868084015505 132.905 > 33 68 Cs 0.00000000000000 0.54237864381227 0.86131915984495 132.905 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.347324479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.382832429999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.804645919999999 Atomic positions (fractional): *1 F 0.35818638239799 0.10121503054553 0.46303191215098 18.998 > 1 2 F 0.85818638239799 0.10121503054553 0.46303191215098 18.998 > 1 3 F 0.10818638239799 0.39878496945447 0.53696808784903 18.998 > 2 4 F 0.60818638239799 0.39878496945447 0.53696808784903 18.998 > 2 5 F 0.14181361760201 0.39878496945447 0.96303191215097 18.998 > 3 6 F 0.64181361760201 0.39878496945447 0.96303191215097 18.998 > 3 7 F 0.39181361760201 0.10121503054553 0.03696808784902 18.998 > 4 8 F 0.89181361760201 0.10121503054553 0.03696808784902 18.998 > 4 9 F 0.39181361760201 0.39878496945447 0.53696808784903 18.998 > 5 10 F 0.89181361760201 0.39878496945447 0.53696808784903 18.998 > 5 11 F 0.14181361760201 0.10121503054553 0.46303191215098 18.998 > 6 12 F 0.64181361760201 0.10121503054553 0.46303191215098 18.998 > 6 13 F 0.10818638239799 0.10121503054553 0.03696808784902 18.998 > 7 14 F 0.60818638239799 0.10121503054553 0.03696808784902 18.998 > 7 15 F 0.35818638239799 0.39878496945447 0.96303191215097 18.998 > 8 16 F 0.85818638239799 0.39878496945447 0.96303191215097 18.998 > 8 *17 F 0.25000000000000 0.02532792944269 0.64551457480942 18.998 > 9 18 F 0.75000000000000 0.02532792944269 0.64551457480942 18.998 > 9 19 F 0.00000000000000 0.47467207055731 0.35448542519058 18.998 > 10 20 F 0.50000000000000 0.47467207055731 0.35448542519058 18.998 > 10 21 F 0.25000000000000 0.47467207055731 0.14551457480942 18.998 > 11 22 F 0.75000000000000 0.47467207055731 0.14551457480942 18.998 > 11 23 F 0.00000000000000 0.02532792944269 0.85448542519058 18.998 > 12 24 F 0.50000000000000 0.02532792944269 0.85448542519058 18.998 > 12 *25 F 0.00000000000000 0.24290998226953 0.64994433899260 18.998 > 13 26 F 0.50000000000000 0.24290998226953 0.64994433899260 18.998 > 13 27 F 0.25000000000000 0.25709001773047 0.35005566100740 18.998 > 14 28 F 0.75000000000000 0.25709001773047 0.35005566100740 18.998 > 14 *29 F 0.37500000000000 0.38682194119056 0.75000000000000 18.998 > 15 30 F 0.87500000000000 0.38682194119056 0.75000000000000 18.998 > 15 31 F 0.12500000000000 0.11317805880944 0.25000000000000 18.998 > 16 32 F 0.62500000000000 0.11317805880944 0.25000000000000 18.998 > 16 33 F 0.37500000000000 0.11317805880944 0.25000000000000 18.998 > 17 34 F 0.87500000000000 0.11317805880944 0.25000000000000 18.998 > 17 35 F 0.12500000000000 0.38682194119056 0.75000000000000 18.998 > 18 36 F 0.62500000000000 0.38682194119056 0.75000000000000 18.998 > 18 37 F 0.25000000000000 0.24290998226953 0.85005566100740 18.998 > 19 38 F 0.75000000000000 0.24290998226953 0.85005566100740 18.998 > 19 39 F 0.00000000000000 0.25709001773047 0.14994433899260 18.998 > 20 40 F 0.50000000000000 0.25709001773047 0.14994433899260 18.998 > 20 41 F 0.10818638239799 0.60121503054553 0.46303191215098 18.998 > 1 42 F 0.60818638239799 0.60121503054553 0.46303191215098 18.998 > 1 43 F 0.35818638239799 0.89878496945447 0.53696808784903 18.998 > 2 44 F 0.85818638239799 0.89878496945447 0.53696808784903 18.998 > 2 45 F 0.39181361760201 0.89878496945447 0.96303191215097 18.998 > 3 46 F 0.89181361760201 0.89878496945447 0.96303191215097 18.998 > 3 47 F 0.14181361760201 0.60121503054553 0.03696808784902 18.998 > 4 48 F 0.64181361760201 0.60121503054553 0.03696808784902 18.998 > 4 49 F 0.14181361760201 0.89878496945447 0.53696808784903 18.998 > 5 50 F 0.64181361760201 0.89878496945447 0.53696808784903 18.998 > 5 51 F 0.39181361760201 0.60121503054553 0.46303191215098 18.998 > 6 52 F 0.89181361760201 0.60121503054553 0.46303191215098 18.998 > 6 53 F 0.35818638239799 0.60121503054553 0.03696808784902 18.998 > 7 54 F 0.85818638239799 0.60121503054553 0.03696808784902 18.998 > 7 55 F 0.10818638239799 0.89878496945447 0.96303191215097 18.998 > 8 56 F 0.60818638239799 0.89878496945447 0.96303191215097 18.998 > 8 57 F 0.00000000000000 0.52532792944269 0.64551457480942 18.998 > 9 58 F 0.50000000000000 0.52532792944269 0.64551457480942 18.998 > 9 59 F 0.25000000000000 0.97467207055731 0.35448542519058 18.998 > 10 60 F 0.75000000000000 0.97467207055731 0.35448542519058 18.998 > 10 61 F 0.00000000000000 0.97467207055731 0.14551457480942 18.998 > 11 62 F 0.50000000000000 0.97467207055731 0.14551457480942 18.998 > 11 63 F 0.25000000000000 0.52532792944269 0.85448542519058 18.998 > 12 64 F 0.75000000000000 0.52532792944269 0.85448542519058 18.998 > 12 65 F 0.25000000000000 0.74290998226953 0.64994433899260 18.998 > 13 66 F 0.75000000000000 0.74290998226953 0.64994433899260 18.998 > 13 67 F 0.00000000000000 0.75709001773047 0.35005566100740 18.998 > 14 68 F 0.50000000000000 0.75709001773047 0.35005566100740 18.998 > 14 69 F 0.12500000000000 0.88682194119056 0.75000000000000 18.998 > 15 70 F 0.62500000000000 0.88682194119056 0.75000000000000 18.998 > 15 71 F 0.37500000000000 0.61317805880944 0.25000000000000 18.998 > 16 72 F 0.87500000000000 0.61317805880944 0.25000000000000 18.998 > 16 73 F 0.12500000000000 0.61317805880944 0.25000000000000 18.998 > 17 74 F 0.62500000000000 0.61317805880944 0.25000000000000 18.998 > 17 75 F 0.37500000000000 0.88682194119056 0.75000000000000 18.998 > 18 76 F 0.87500000000000 0.88682194119056 0.75000000000000 18.998 > 18 77 F 0.00000000000000 0.74290998226953 0.85005566100740 18.998 > 19 78 F 0.50000000000000 0.74290998226953 0.85005566100740 18.998 > 19 79 F 0.25000000000000 0.75709001773047 0.14994433899260 18.998 > 20 80 F 0.75000000000000 0.75709001773047 0.14994433899260 18.998 > 20 *81 Zn 0.00000000000000 0.37743456940256 0.65490801737761 65.380 > 21 82 Zn 0.50000000000000 0.37743456940256 0.65490801737761 65.380 > 21 83 Zn 0.25000000000000 0.12256543059744 0.34509198262239 65.380 > 22 84 Zn 0.75000000000000 0.12256543059744 0.34509198262239 65.380 > 22 85 Zn 0.00000000000000 0.12256543059744 0.15490801737761 65.380 > 23 86 Zn 0.50000000000000 0.12256543059744 0.15490801737761 65.380 > 23 87 Zn 0.25000000000000 0.37743456940256 0.84509198262239 65.380 > 24 88 Zn 0.75000000000000 0.37743456940256 0.84509198262239 65.380 > 24 *89 Zn 0.25000000000000 0.00000000000000 0.50000000000000 65.380 > 25 90 Zn 0.75000000000000 0.00000000000000 0.50000000000000 65.380 > 25 91 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 26 92 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 26 93 Zn 0.25000000000000 0.87743456940256 0.65490801737761 65.380 > 21 94 Zn 0.75000000000000 0.87743456940256 0.65490801737761 65.380 > 21 95 Zn 0.00000000000000 0.62256543059744 0.34509198262239 65.380 > 22 96 Zn 0.50000000000000 0.62256543059744 0.34509198262239 65.380 > 22 97 Zn 0.25000000000000 0.62256543059744 0.15490801737761 65.380 > 23 98 Zn 0.75000000000000 0.62256543059744 0.15490801737761 65.380 > 23 99 Zn 0.00000000000000 0.87743456940256 0.84509198262239 65.380 > 24 100 Zn 0.50000000000000 0.87743456940256 0.84509198262239 65.380 > 24 101 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 25 102 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 25 103 Zn 0.25000000000000 0.50000000000000 0.00000000000000 65.380 > 26 104 Zn 0.75000000000000 0.50000000000000 0.00000000000000 65.380 > 26 *105 Cs 0.25000000000000 0.24340128174313 0.61066659714980 132.905 > 27 106 Cs 0.75000000000000 0.24340128174313 0.61066659714980 132.905 > 27 107 Cs 0.00000000000000 0.25659871825688 0.38933340285020 132.905 > 28 108 Cs 0.50000000000000 0.25659871825688 0.38933340285020 132.905 > 28 109 Cs 0.25000000000000 0.25659871825688 0.11066659714980 132.905 > 29 110 Cs 0.75000000000000 0.25659871825688 0.11066659714980 132.905 > 29 111 Cs 0.00000000000000 0.24340128174313 0.88933340285020 132.905 > 30 112 Cs 0.50000000000000 0.24340128174313 0.88933340285020 132.905 > 30 *113 Cs 0.00000000000000 0.04237864381227 0.63868084015505 132.905 > 31 114 Cs 0.50000000000000 0.04237864381227 0.63868084015505 132.905 > 31 115 Cs 0.25000000000000 0.45762135618773 0.36131915984495 132.905 > 32 116 Cs 0.75000000000000 0.45762135618773 0.36131915984495 132.905 > 32 117 Cs 0.00000000000000 0.45762135618773 0.13868084015505 132.905 > 33 118 Cs 0.50000000000000 0.45762135618773 0.13868084015505 132.905 > 33 119 Cs 0.25000000000000 0.04237864381227 0.86131915984495 132.905 > 34 120 Cs 0.75000000000000 0.04237864381227 0.86131915984495 132.905 > 34 121 Cs 0.00000000000000 0.74340128174313 0.61066659714980 132.905 > 27 122 Cs 0.50000000000000 0.74340128174313 0.61066659714980 132.905 > 27 123 Cs 0.25000000000000 0.75659871825687 0.38933340285020 132.905 > 28 124 Cs 0.75000000000000 0.75659871825687 0.38933340285020 132.905 > 28 125 Cs 0.00000000000000 0.75659871825687 0.11066659714980 132.905 > 29 126 Cs 0.50000000000000 0.75659871825687 0.11066659714980 132.905 > 29 127 Cs 0.25000000000000 0.74340128174313 0.88933340285020 132.905 > 30 128 Cs 0.75000000000000 0.74340128174313 0.88933340285020 132.905 > 30 129 Cs 0.25000000000000 0.54237864381227 0.63868084015505 132.905 > 31 130 Cs 0.75000000000000 0.54237864381227 0.63868084015505 132.905 > 31 131 Cs 0.00000000000000 0.95762135618773 0.36131915984495 132.905 > 32 132 Cs 0.50000000000000 0.95762135618773 0.36131915984495 132.905 > 32 133 Cs 0.25000000000000 0.95762135618773 0.13868084015505 132.905 > 33 134 Cs 0.75000000000000 0.95762135618773 0.13868084015505 132.905 > 33 135 Cs 0.00000000000000 0.54237864381227 0.86131915984495 132.905 > 34 136 Cs 0.50000000000000 0.54237864381227 0.86131915984495 132.905 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4784477 0.0000000 0.0000000 0.0000000 2.4770091 0.0000000 0.0000000 0.0000000 2.4741440 -------------------------- Born effective charges -------------------------- 1 F -1.2308987 -0.1232379 -0.0573655 -0.0999720 -1.1645551 0.1090328 -0.0826161 0.1199372 -1.1888020 2 F -1.2308987 0.1232379 0.0573655 0.0999720 -1.1645551 0.1090328 0.0826161 0.1199372 -1.1888020 3 F -1.2308987 -0.1232379 0.0573655 -0.0999720 -1.1645551 -0.1090328 0.0826161 -0.1199372 -1.1888020 4 F -1.2308987 0.1232379 -0.0573655 0.0999720 -1.1645551 -0.1090328 -0.0826161 -0.1199372 -1.1888020 5 F -1.2308987 -0.1232379 -0.0573655 -0.0999720 -1.1645551 0.1090328 -0.0826161 0.1199372 -1.1888020 6 F -1.2308987 0.1232379 0.0573655 0.0999720 -1.1645551 0.1090328 0.0826161 0.1199372 -1.1888020 7 F -1.2308987 -0.1232379 0.0573655 -0.0999720 -1.1645551 -0.1090328 0.0826161 -0.1199372 -1.1888020 8 F -1.2308987 0.1232379 -0.0573655 0.0999720 -1.1645551 -0.1090328 -0.0826161 -0.1199372 -1.1888020 9 F -1.0160581 0.0000000 0.0000000 0.0000000 -1.2199017 -0.0278592 0.0000000 0.0245526 -1.3463178 10 F -1.0160581 0.0000000 0.0000000 0.0000000 -1.2199017 -0.0278592 0.0000000 0.0245526 -1.3463178 11 F -1.0160581 0.0000000 0.0000000 0.0000000 -1.2199017 0.0278592 0.0000000 -0.0245526 -1.3463178 12 F -1.0160581 0.0000000 0.0000000 0.0000000 -1.2199017 0.0278592 0.0000000 -0.0245526 -1.3463178 13 F -1.0809012 0.0000000 0.0000000 0.0000000 -1.5184702 -0.0246198 0.0000000 -0.0624520 -0.9557173 14 F -1.0809012 0.0000000 0.0000000 0.0000000 -1.5184702 -0.0246198 0.0000000 -0.0624520 -0.9557173 15 F -1.4385622 0.0000000 0.3766236 0.0000000 -0.9268223 0.0000000 0.3809960 0.0000000 -1.3131480 16 F -1.4385622 0.0000000 -0.3766236 0.0000000 -0.9268223 0.0000000 -0.3809960 0.0000000 -1.3131480 17 F -1.4385622 0.0000000 0.3766236 0.0000000 -0.9268223 0.0000000 0.3809960 0.0000000 -1.3131480 18 F -1.4385622 0.0000000 -0.3766236 0.0000000 -0.9268223 0.0000000 -0.3809960 0.0000000 -1.3131480 19 F -1.0809012 0.0000000 0.0000000 0.0000000 -1.5184702 0.0246198 0.0000000 0.0624520 -0.9557173 20 F -1.0809012 0.0000000 0.0000000 0.0000000 -1.5184702 0.0246198 0.0000000 0.0624520 -0.9557173 21 Zn 2.2195258 0.0000000 0.0000000 0.0000000 2.1252728 -0.1118993 0.0000000 -0.1058757 2.2689668 22 Zn 2.2195258 0.0000000 0.0000000 0.0000000 2.1252728 -0.1118993 0.0000000 -0.1058757 2.2689668 23 Zn 2.2195258 0.0000000 0.0000000 0.0000000 2.1252728 0.1118993 0.0000000 0.1058757 2.2689668 24 Zn 2.2195258 0.0000000 0.0000000 0.0000000 2.1252728 0.1118993 0.0000000 0.1058757 2.2689668 25 Zn 1.9845264 0.0000000 0.0000000 0.0000000 2.0938865 -0.2346426 0.0000000 -0.2794097 2.2522848 26 Zn 1.9845264 0.0000000 0.0000000 0.0000000 2.0938865 0.2346426 0.0000000 0.2794097 2.2522848 27 Cs 1.3878810 0.0000000 0.0000000 0.0000000 1.4343642 0.1365341 0.0000000 0.1179676 1.2621054 28 Cs 1.3878810 0.0000000 0.0000000 0.0000000 1.4343642 0.1365341 0.0000000 0.1179676 1.2621054 29 Cs 1.3878810 0.0000000 0.0000000 0.0000000 1.4343642 -0.1365341 0.0000000 -0.1179676 1.2621054 30 Cs 1.3878810 0.0000000 0.0000000 0.0000000 1.4343642 -0.1365341 0.0000000 -0.1179676 1.2621054 31 Cs 1.3976488 0.0000000 0.0000000 0.0000000 1.3877242 -0.0796832 0.0000000 -0.0894603 1.3355726 32 Cs 1.3976488 0.0000000 0.0000000 0.0000000 1.3877242 -0.0796832 0.0000000 -0.0894603 1.3355726 33 Cs 1.3976488 0.0000000 0.0000000 0.0000000 1.3877242 0.0796832 0.0000000 0.0894603 1.3355726 34 Cs 1.3976488 0.0000000 0.0000000 0.0000000 1.3877242 0.0796832 0.0000000 0.0894603 1.3355726 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 25410/25410 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2822 Number of blocks in projector: 2822 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 698 Use submatrix version of eigh solver. (1) Block: 500 / 698 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 698 / 698 (1) 186 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 460 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 404 Use standard eigh solver. Tree of FC basis block matrices: - (2822, 2778), data: False |-- (404, 396), data: True |-- (404, 396), data: True |-- (404, 396), data: True |-- (452, 450), data: True |-- (460, 456), data: True |-- (698, 684), data: False |-- (698, 12), data: (698, 26) @ (26, 12) |-- (198, 186), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 0.898 Solver_block: 200 / 560 - Time: 0.858 Solver_block: 300 / 560 - Time: 0.851 Solver_block: 400 / 560 - Time: 0.844 Solver_block: 500 / 560 - Time: 0.828 Solver_block: 560 / 560 - Time: 0.568 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.964 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 408/408 Permutation basis: 25410/25410 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2822 Number of blocks in projector: 2822 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 698 Use submatrix version of eigh solver. (1) Block: 500 / 698 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 698 / 698 (1) 186 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 460 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 404 Use standard eigh solver. Tree of FC basis block matrices: - (2822, 2778), data: False |-- (404, 396), data: True |-- (404, 396), data: True |-- (404, 396), data: True |-- (452, 450), data: True |-- (460, 456), data: True |-- (698, 684), data: False |-- (698, 12), data: (698, 26) @ (26, 12) |-- (198, 186), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:58:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:58:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.086831120000000 -7.191416214999999 0.000000000000000 b 3.086831120000000 7.191416214999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.804645919999999 Atomic positions (fractional): 1 F 0.61515773425045 0.81758779534150 0.46303191215098 18.998 2 F 0.81758779534150 0.61515773425045 0.53696808784903 18.998 3 F 0.88484226574955 0.68241220465850 0.96303191215097 18.998 4 F 0.68241220465850 0.88484226574955 0.03696808784902 18.998 5 F 0.38484226574955 0.18241220465850 0.53696808784903 18.998 6 F 0.18241220465850 0.38484226574955 0.46303191215098 18.998 7 F 0.11515773425045 0.31758779534150 0.03696808784902 18.998 8 F 0.31758779534150 0.11515773425045 0.96303191215097 18.998 9 F 0.47467207055731 0.52532792944269 0.64551457480942 18.998 10 F 0.52532792944269 0.47467207055731 0.35448542519058 18.998 11 F 0.02532792944269 0.97467207055731 0.14551457480942 18.998 12 F 0.97467207055731 0.02532792944269 0.85448542519058 18.998 13 F 0.75709001773047 0.24290998226953 0.64994433899260 18.998 14 F 0.24290998226953 0.75709001773047 0.35005566100740 18.998 15 F 0.36317805880944 0.13682194119056 0.75000000000000 18.998 16 F 0.13682194119056 0.36317805880944 0.25000000000000 18.998 17 F 0.63682194119056 0.86317805880944 0.25000000000000 18.998 18 F 0.86317805880944 0.63682194119056 0.75000000000000 18.998 19 F 0.25709001773047 0.74290998226953 0.85005566100740 18.998 20 F 0.74290998226953 0.25709001773047 0.14994433899260 18.998 21 Zn 0.62256543059744 0.37743456940256 0.65490801737761 65.380 22 Zn 0.37743456940256 0.62256543059744 0.34509198262239 65.380 23 Zn 0.87743456940256 0.12256543059744 0.15490801737761 65.380 24 Zn 0.12256543059744 0.87743456940256 0.84509198262239 65.380 25 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 26 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 27 Cs 0.25659871825687 0.74340128174313 0.61066659714980 132.905 28 Cs 0.74340128174313 0.25659871825688 0.38933340285020 132.905 29 Cs 0.24340128174312 0.75659871825687 0.11066659714980 132.905 30 Cs 0.75659871825687 0.24340128174313 0.88933340285020 132.905 31 Cs 0.95762135618773 0.04237864381227 0.63868084015505 132.905 32 Cs 0.04237864381227 0.95762135618773 0.36131915984495 132.905 33 Cs 0.54237864381227 0.45762135618773 0.13868084015505 132.905 34 Cs 0.45762135618773 0.54237864381227 0.86131915984495 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.347324479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.382832429999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.804645919999999 Atomic positions (fractional): 1 F 0.35818638239799 0.10121503054553 0.46303191215098 18.998 > 1 2 F 0.85818638239799 0.10121503054553 0.46303191215098 18.998 > 1 3 F 0.10818638239799 0.39878496945447 0.53696808784903 18.998 > 3 4 F 0.60818638239799 0.39878496945447 0.53696808784903 18.998 > 3 5 F 0.14181361760201 0.39878496945447 0.96303191215097 18.998 > 5 6 F 0.64181361760201 0.39878496945447 0.96303191215097 18.998 > 5 7 F 0.39181361760201 0.10121503054553 0.03696808784902 18.998 > 7 8 F 0.89181361760201 0.10121503054553 0.03696808784902 18.998 > 7 9 F 0.39181361760201 0.39878496945447 0.53696808784903 18.998 > 9 10 F 0.89181361760201 0.39878496945447 0.53696808784903 18.998 > 9 11 F 0.14181361760201 0.10121503054553 0.46303191215098 18.998 > 11 12 F 0.64181361760201 0.10121503054553 0.46303191215098 18.998 > 11 13 F 0.10818638239799 0.10121503054553 0.03696808784902 18.998 > 13 14 F 0.60818638239799 0.10121503054553 0.03696808784902 18.998 > 13 15 F 0.35818638239799 0.39878496945447 0.96303191215097 18.998 > 15 16 F 0.85818638239799 0.39878496945447 0.96303191215097 18.998 > 15 17 F 0.25000000000000 0.02532792944269 0.64551457480942 18.998 > 17 18 F 0.75000000000000 0.02532792944269 0.64551457480942 18.998 > 17 19 F 0.00000000000000 0.47467207055731 0.35448542519058 18.998 > 19 20 F 0.50000000000000 0.47467207055731 0.35448542519058 18.998 > 19 21 F 0.25000000000000 0.47467207055731 0.14551457480942 18.998 > 21 22 F 0.75000000000000 0.47467207055731 0.14551457480942 18.998 > 21 23 F 0.00000000000000 0.02532792944269 0.85448542519058 18.998 > 23 24 F 0.50000000000000 0.02532792944269 0.85448542519058 18.998 > 23 25 F 0.00000000000000 0.24290998226953 0.64994433899260 18.998 > 25 26 F 0.50000000000000 0.24290998226953 0.64994433899260 18.998 > 25 27 F 0.25000000000000 0.25709001773047 0.35005566100740 18.998 > 27 28 F 0.75000000000000 0.25709001773047 0.35005566100740 18.998 > 27 29 F 0.37500000000000 0.38682194119056 0.75000000000000 18.998 > 29 30 F 0.87500000000000 0.38682194119056 0.75000000000000 18.998 > 29 31 F 0.12500000000000 0.11317805880944 0.25000000000000 18.998 > 31 32 F 0.62500000000000 0.11317805880944 0.25000000000000 18.998 > 31 33 F 0.37500000000000 0.11317805880944 0.25000000000000 18.998 > 33 34 F 0.87500000000000 0.11317805880944 0.25000000000000 18.998 > 33 35 F 0.12500000000000 0.38682194119056 0.75000000000000 18.998 > 35 36 F 0.62500000000000 0.38682194119056 0.75000000000000 18.998 > 35 37 F 0.25000000000000 0.24290998226953 0.85005566100740 18.998 > 37 38 F 0.75000000000000 0.24290998226953 0.85005566100740 18.998 > 37 39 F 0.00000000000000 0.25709001773047 0.14994433899260 18.998 > 39 40 F 0.50000000000000 0.25709001773047 0.14994433899260 18.998 > 39 41 F 0.10818638239799 0.60121503054553 0.46303191215098 18.998 > 1 42 F 0.60818638239799 0.60121503054553 0.46303191215098 18.998 > 1 43 F 0.35818638239799 0.89878496945447 0.53696808784903 18.998 > 3 44 F 0.85818638239799 0.89878496945447 0.53696808784903 18.998 > 3 45 F 0.39181361760201 0.89878496945447 0.96303191215097 18.998 > 5 46 F 0.89181361760201 0.89878496945447 0.96303191215097 18.998 > 5 47 F 0.14181361760201 0.60121503054553 0.03696808784902 18.998 > 7 48 F 0.64181361760201 0.60121503054553 0.03696808784902 18.998 > 7 49 F 0.14181361760201 0.89878496945447 0.53696808784903 18.998 > 9 50 F 0.64181361760201 0.89878496945447 0.53696808784903 18.998 > 9 51 F 0.39181361760201 0.60121503054553 0.46303191215098 18.998 > 11 52 F 0.89181361760201 0.60121503054553 0.46303191215098 18.998 > 11 53 F 0.35818638239799 0.60121503054553 0.03696808784902 18.998 > 13 54 F 0.85818638239799 0.60121503054553 0.03696808784902 18.998 > 13 55 F 0.10818638239799 0.89878496945447 0.96303191215097 18.998 > 15 56 F 0.60818638239799 0.89878496945447 0.96303191215097 18.998 > 15 57 F 0.00000000000000 0.52532792944269 0.64551457480942 18.998 > 17 58 F 0.50000000000000 0.52532792944269 0.64551457480942 18.998 > 17 59 F 0.25000000000000 0.97467207055731 0.35448542519058 18.998 > 19 60 F 0.75000000000000 0.97467207055731 0.35448542519058 18.998 > 19 61 F 0.00000000000000 0.97467207055731 0.14551457480942 18.998 > 21 62 F 0.50000000000000 0.97467207055731 0.14551457480942 18.998 > 21 63 F 0.25000000000000 0.52532792944269 0.85448542519058 18.998 > 23 64 F 0.75000000000000 0.52532792944269 0.85448542519058 18.998 > 23 65 F 0.25000000000000 0.74290998226953 0.64994433899260 18.998 > 25 66 F 0.75000000000000 0.74290998226953 0.64994433899260 18.998 > 25 67 F 0.00000000000000 0.75709001773047 0.35005566100740 18.998 > 27 68 F 0.50000000000000 0.75709001773047 0.35005566100740 18.998 > 27 69 F 0.12500000000000 0.88682194119056 0.75000000000000 18.998 > 29 70 F 0.62500000000000 0.88682194119056 0.75000000000000 18.998 > 29 71 F 0.37500000000000 0.61317805880944 0.25000000000000 18.998 > 31 72 F 0.87500000000000 0.61317805880944 0.25000000000000 18.998 > 31 73 F 0.12500000000000 0.61317805880944 0.25000000000000 18.998 > 33 74 F 0.62500000000000 0.61317805880944 0.25000000000000 18.998 > 33 75 F 0.37500000000000 0.88682194119056 0.75000000000000 18.998 > 35 76 F 0.87500000000000 0.88682194119056 0.75000000000000 18.998 > 35 77 F 0.00000000000000 0.74290998226953 0.85005566100740 18.998 > 37 78 F 0.50000000000000 0.74290998226953 0.85005566100740 18.998 > 37 79 F 0.25000000000000 0.75709001773047 0.14994433899260 18.998 > 39 80 F 0.75000000000000 0.75709001773047 0.14994433899260 18.998 > 39 81 Zn 0.00000000000000 0.37743456940256 0.65490801737761 65.380 > 81 82 Zn 0.50000000000000 0.37743456940256 0.65490801737761 65.380 > 81 83 Zn 0.25000000000000 0.12256543059744 0.34509198262239 65.380 > 83 84 Zn 0.75000000000000 0.12256543059744 0.34509198262239 65.380 > 83 85 Zn 0.00000000000000 0.12256543059744 0.15490801737761 65.380 > 85 86 Zn 0.50000000000000 0.12256543059744 0.15490801737761 65.380 > 85 87 Zn 0.25000000000000 0.37743456940256 0.84509198262239 65.380 > 87 88 Zn 0.75000000000000 0.37743456940256 0.84509198262239 65.380 > 87 89 Zn 0.25000000000000 0.00000000000000 0.50000000000000 65.380 > 89 90 Zn 0.75000000000000 0.00000000000000 0.50000000000000 65.380 > 89 91 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 91 92 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 91 93 Zn 0.25000000000000 0.87743456940256 0.65490801737761 65.380 > 81 94 Zn 0.75000000000000 0.87743456940256 0.65490801737761 65.380 > 81 95 Zn 0.00000000000000 0.62256543059744 0.34509198262239 65.380 > 83 96 Zn 0.50000000000000 0.62256543059744 0.34509198262239 65.380 > 83 97 Zn 0.25000000000000 0.62256543059744 0.15490801737761 65.380 > 85 98 Zn 0.75000000000000 0.62256543059744 0.15490801737761 65.380 > 85 99 Zn 0.00000000000000 0.87743456940256 0.84509198262239 65.380 > 87 100 Zn 0.50000000000000 0.87743456940256 0.84509198262239 65.380 > 87 101 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 89 102 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 89 103 Zn 0.25000000000000 0.50000000000000 0.00000000000000 65.380 > 91 104 Zn 0.75000000000000 0.50000000000000 0.00000000000000 65.380 > 91 105 Cs 0.25000000000000 0.24340128174313 0.61066659714980 132.905 > 105 106 Cs 0.75000000000000 0.24340128174313 0.61066659714980 132.905 > 105 107 Cs 0.00000000000000 0.25659871825688 0.38933340285020 132.905 > 107 108 Cs 0.50000000000000 0.25659871825688 0.38933340285020 132.905 > 107 109 Cs 0.25000000000000 0.25659871825688 0.11066659714980 132.905 > 109 110 Cs 0.75000000000000 0.25659871825688 0.11066659714980 132.905 > 109 111 Cs 0.00000000000000 0.24340128174313 0.88933340285020 132.905 > 111 112 Cs 0.50000000000000 0.24340128174313 0.88933340285020 132.905 > 111 113 Cs 0.00000000000000 0.04237864381227 0.63868084015505 132.905 > 113 114 Cs 0.50000000000000 0.04237864381227 0.63868084015505 132.905 > 113 115 Cs 0.25000000000000 0.45762135618773 0.36131915984495 132.905 > 115 116 Cs 0.75000000000000 0.45762135618773 0.36131915984495 132.905 > 115 117 Cs 0.00000000000000 0.45762135618773 0.13868084015505 132.905 > 117 118 Cs 0.50000000000000 0.45762135618773 0.13868084015505 132.905 > 117 119 Cs 0.25000000000000 0.04237864381227 0.86131915984495 132.905 > 119 120 Cs 0.75000000000000 0.04237864381227 0.86131915984495 132.905 > 119 121 Cs 0.00000000000000 0.74340128174313 0.61066659714980 132.905 > 105 122 Cs 0.50000000000000 0.74340128174313 0.61066659714980 132.905 > 105 123 Cs 0.25000000000000 0.75659871825687 0.38933340285020 132.905 > 107 124 Cs 0.75000000000000 0.75659871825687 0.38933340285020 132.905 > 107 125 Cs 0.00000000000000 0.75659871825687 0.11066659714980 132.905 > 109 126 Cs 0.50000000000000 0.75659871825687 0.11066659714980 132.905 > 109 127 Cs 0.25000000000000 0.74340128174313 0.88933340285020 132.905 > 111 128 Cs 0.75000000000000 0.74340128174313 0.88933340285020 132.905 > 111 129 Cs 0.25000000000000 0.54237864381227 0.63868084015505 132.905 > 113 130 Cs 0.75000000000000 0.54237864381227 0.63868084015505 132.905 > 113 131 Cs 0.00000000000000 0.95762135618773 0.36131915984495 132.905 > 115 132 Cs 0.50000000000000 0.95762135618773 0.36131915984495 132.905 > 115 133 Cs 0.25000000000000 0.95762135618773 0.13868084015505 132.905 > 117 134 Cs 0.75000000000000 0.95762135618773 0.13868084015505 132.905 > 117 135 Cs 0.00000000000000 0.54237864381227 0.86131915984495 132.905 > 119 136 Cs 0.50000000000000 0.54237864381227 0.86131915984495 132.905 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4784477 0.0000000 0.0000000 0.0000000 2.4770091 0.0000000 0.0000000 0.0000000 2.4741440 -------------------------- Born effective charges -------------------------- 1 F -1.2308987 -0.1232379 -0.0573655 -0.0999720 -1.1645551 0.1090328 -0.0826161 0.1199372 -1.1888020 2 F -1.2308987 0.1232379 0.0573655 0.0999720 -1.1645551 0.1090328 0.0826161 0.1199372 -1.1888020 3 F -1.2308987 -0.1232379 0.0573655 -0.0999720 -1.1645551 -0.1090328 0.0826161 -0.1199372 -1.1888020 4 F -1.2308987 0.1232379 -0.0573655 0.0999720 -1.1645551 -0.1090328 -0.0826161 -0.1199372 -1.1888020 5 F -1.2308987 -0.1232379 -0.0573655 -0.0999720 -1.1645551 0.1090328 -0.0826161 0.1199372 -1.1888020 6 F -1.2308987 0.1232379 0.0573655 0.0999720 -1.1645551 0.1090328 0.0826161 0.1199372 -1.1888020 7 F -1.2308987 -0.1232379 0.0573655 -0.0999720 -1.1645551 -0.1090328 0.0826161 -0.1199372 -1.1888020 8 F -1.2308987 0.1232379 -0.0573655 0.0999720 -1.1645551 -0.1090328 -0.0826161 -0.1199372 -1.1888020 9 F -1.0160581 0.0000000 0.0000000 0.0000000 -1.2199017 -0.0278592 0.0000000 0.0245526 -1.3463178 10 F -1.0160581 0.0000000 0.0000000 0.0000000 -1.2199017 -0.0278592 0.0000000 0.0245526 -1.3463178 11 F -1.0160581 0.0000000 0.0000000 0.0000000 -1.2199017 0.0278592 0.0000000 -0.0245526 -1.3463178 12 F -1.0160581 0.0000000 0.0000000 0.0000000 -1.2199017 0.0278592 0.0000000 -0.0245526 -1.3463178 13 F -1.0809012 0.0000000 0.0000000 0.0000000 -1.5184702 -0.0246198 0.0000000 -0.0624520 -0.9557173 14 F -1.0809012 0.0000000 0.0000000 0.0000000 -1.5184702 -0.0246198 0.0000000 -0.0624520 -0.9557173 15 F -1.4385622 0.0000000 0.3766236 0.0000000 -0.9268223 0.0000000 0.3809960 0.0000000 -1.3131480 16 F -1.4385622 0.0000000 -0.3766236 0.0000000 -0.9268223 0.0000000 -0.3809960 0.0000000 -1.3131480 17 F -1.4385622 0.0000000 0.3766236 0.0000000 -0.9268223 0.0000000 0.3809960 0.0000000 -1.3131480 18 F -1.4385622 0.0000000 -0.3766236 0.0000000 -0.9268223 0.0000000 -0.3809960 0.0000000 -1.3131480 19 F -1.0809012 0.0000000 0.0000000 0.0000000 -1.5184702 0.0246198 0.0000000 0.0624520 -0.9557173 20 F -1.0809012 0.0000000 0.0000000 0.0000000 -1.5184702 0.0246198 0.0000000 0.0624520 -0.9557173 21 Zn 2.2195258 0.0000000 0.0000000 0.0000000 2.1252728 -0.1118993 0.0000000 -0.1058757 2.2689668 22 Zn 2.2195258 0.0000000 0.0000000 0.0000000 2.1252728 -0.1118993 0.0000000 -0.1058757 2.2689668 23 Zn 2.2195258 0.0000000 0.0000000 0.0000000 2.1252728 0.1118993 0.0000000 0.1058757 2.2689668 24 Zn 2.2195258 0.0000000 0.0000000 0.0000000 2.1252728 0.1118993 0.0000000 0.1058757 2.2689668 25 Zn 1.9845264 0.0000000 0.0000000 0.0000000 2.0938865 -0.2346426 0.0000000 -0.2794097 2.2522848 26 Zn 1.9845264 0.0000000 0.0000000 0.0000000 2.0938865 0.2346426 0.0000000 0.2794097 2.2522848 27 Cs 1.3878810 0.0000000 0.0000000 0.0000000 1.4343642 0.1365341 0.0000000 0.1179676 1.2621054 28 Cs 1.3878810 0.0000000 0.0000000 0.0000000 1.4343642 0.1365341 0.0000000 0.1179676 1.2621054 29 Cs 1.3878810 0.0000000 0.0000000 0.0000000 1.4343642 -0.1365341 0.0000000 -0.1179676 1.2621054 30 Cs 1.3878810 0.0000000 0.0000000 0.0000000 1.4343642 -0.1365341 0.0000000 -0.1179676 1.2621054 31 Cs 1.3976488 0.0000000 0.0000000 0.0000000 1.3877242 -0.0796832 0.0000000 -0.0894603 1.3355726 32 Cs 1.3976488 0.0000000 0.0000000 0.0000000 1.3877242 -0.0796832 0.0000000 -0.0894603 1.3355726 33 Cs 1.3976488 0.0000000 0.0000000 0.0000000 1.3877242 0.0796832 0.0000000 0.0894603 1.3355726 34 Cs 1.3976488 0.0000000 0.0000000 0.0000000 1.3877242 0.0796832 0.0000000 0.0894603 1.3355726 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:59:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:59:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.086831120000000 -7.191416214999999 0.000000000000000 b 3.086831120000000 7.191416214999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.804645919999999 Atomic positions (fractional): 1 F 0.61515773425045 0.81758779534150 0.46303191215098 18.998 2 F 0.81758779534150 0.61515773425045 0.53696808784903 18.998 3 F 0.88484226574955 0.68241220465850 0.96303191215097 18.998 4 F 0.68241220465850 0.88484226574955 0.03696808784902 18.998 5 F 0.38484226574955 0.18241220465850 0.53696808784903 18.998 6 F 0.18241220465850 0.38484226574955 0.46303191215098 18.998 7 F 0.11515773425045 0.31758779534150 0.03696808784902 18.998 8 F 0.31758779534150 0.11515773425045 0.96303191215097 18.998 9 F 0.47467207055731 0.52532792944269 0.64551457480942 18.998 10 F 0.52532792944269 0.47467207055731 0.35448542519058 18.998 11 F 0.02532792944269 0.97467207055731 0.14551457480942 18.998 12 F 0.97467207055731 0.02532792944269 0.85448542519058 18.998 13 F 0.75709001773047 0.24290998226953 0.64994433899260 18.998 14 F 0.24290998226953 0.75709001773047 0.35005566100740 18.998 15 F 0.36317805880944 0.13682194119056 0.75000000000000 18.998 16 F 0.13682194119056 0.36317805880944 0.25000000000000 18.998 17 F 0.63682194119056 0.86317805880944 0.25000000000000 18.998 18 F 0.86317805880944 0.63682194119056 0.75000000000000 18.998 19 F 0.25709001773047 0.74290998226953 0.85005566100740 18.998 20 F 0.74290998226953 0.25709001773047 0.14994433899260 18.998 21 Zn 0.62256543059744 0.37743456940256 0.65490801737761 65.380 22 Zn 0.37743456940256 0.62256543059744 0.34509198262239 65.380 23 Zn 0.87743456940256 0.12256543059744 0.15490801737761 65.380 24 Zn 0.12256543059744 0.87743456940256 0.84509198262239 65.380 25 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 26 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 27 Cs 0.25659871825687 0.74340128174313 0.61066659714980 132.905 28 Cs 0.74340128174313 0.25659871825688 0.38933340285020 132.905 29 Cs 0.24340128174312 0.75659871825687 0.11066659714980 132.905 30 Cs 0.75659871825687 0.24340128174313 0.88933340285020 132.905 31 Cs 0.95762135618773 0.04237864381227 0.63868084015505 132.905 32 Cs 0.04237864381227 0.95762135618773 0.36131915984495 132.905 33 Cs 0.54237864381227 0.45762135618773 0.13868084015505 132.905 34 Cs 0.45762135618773 0.54237864381227 0.86131915984495 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.347324479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.382832429999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.804645919999999 Atomic positions (fractional): 1 F 0.35818638239799 0.10121503054553 0.46303191215098 18.998 > 1 2 F 0.85818638239799 0.10121503054553 0.46303191215098 18.998 > 1 3 F 0.10818638239799 0.39878496945447 0.53696808784903 18.998 > 3 4 F 0.60818638239799 0.39878496945447 0.53696808784903 18.998 > 3 5 F 0.14181361760201 0.39878496945447 0.96303191215097 18.998 > 5 6 F 0.64181361760201 0.39878496945447 0.96303191215097 18.998 > 5 7 F 0.39181361760201 0.10121503054553 0.03696808784902 18.998 > 7 8 F 0.89181361760201 0.10121503054553 0.03696808784902 18.998 > 7 9 F 0.39181361760201 0.39878496945447 0.53696808784903 18.998 > 9 10 F 0.89181361760201 0.39878496945447 0.53696808784903 18.998 > 9 11 F 0.14181361760201 0.10121503054553 0.46303191215098 18.998 > 11 12 F 0.64181361760201 0.10121503054553 0.46303191215098 18.998 > 11 13 F 0.10818638239799 0.10121503054553 0.03696808784902 18.998 > 13 14 F 0.60818638239799 0.10121503054553 0.03696808784902 18.998 > 13 15 F 0.35818638239799 0.39878496945447 0.96303191215097 18.998 > 15 16 F 0.85818638239799 0.39878496945447 0.96303191215097 18.998 > 15 17 F 0.25000000000000 0.02532792944269 0.64551457480942 18.998 > 17 18 F 0.75000000000000 0.02532792944269 0.64551457480942 18.998 > 17 19 F 0.00000000000000 0.47467207055731 0.35448542519058 18.998 > 19 20 F 0.50000000000000 0.47467207055731 0.35448542519058 18.998 > 19 21 F 0.25000000000000 0.47467207055731 0.14551457480942 18.998 > 21 22 F 0.75000000000000 0.47467207055731 0.14551457480942 18.998 > 21 23 F 0.00000000000000 0.02532792944269 0.85448542519058 18.998 > 23 24 F 0.50000000000000 0.02532792944269 0.85448542519058 18.998 > 23 25 F 0.00000000000000 0.24290998226953 0.64994433899260 18.998 > 25 26 F 0.50000000000000 0.24290998226953 0.64994433899260 18.998 > 25 27 F 0.25000000000000 0.25709001773047 0.35005566100740 18.998 > 27 28 F 0.75000000000000 0.25709001773047 0.35005566100740 18.998 > 27 29 F 0.37500000000000 0.38682194119056 0.75000000000000 18.998 > 29 30 F 0.87500000000000 0.38682194119056 0.75000000000000 18.998 > 29 31 F 0.12500000000000 0.11317805880944 0.25000000000000 18.998 > 31 32 F 0.62500000000000 0.11317805880944 0.25000000000000 18.998 > 31 33 F 0.37500000000000 0.11317805880944 0.25000000000000 18.998 > 33 34 F 0.87500000000000 0.11317805880944 0.25000000000000 18.998 > 33 35 F 0.12500000000000 0.38682194119056 0.75000000000000 18.998 > 35 36 F 0.62500000000000 0.38682194119056 0.75000000000000 18.998 > 35 37 F 0.25000000000000 0.24290998226953 0.85005566100740 18.998 > 37 38 F 0.75000000000000 0.24290998226953 0.85005566100740 18.998 > 37 39 F 0.00000000000000 0.25709001773047 0.14994433899260 18.998 > 39 40 F 0.50000000000000 0.25709001773047 0.14994433899260 18.998 > 39 41 F 0.10818638239799 0.60121503054553 0.46303191215098 18.998 > 1 42 F 0.60818638239799 0.60121503054553 0.46303191215098 18.998 > 1 43 F 0.35818638239799 0.89878496945447 0.53696808784903 18.998 > 3 44 F 0.85818638239799 0.89878496945447 0.53696808784903 18.998 > 3 45 F 0.39181361760201 0.89878496945447 0.96303191215097 18.998 > 5 46 F 0.89181361760201 0.89878496945447 0.96303191215097 18.998 > 5 47 F 0.14181361760201 0.60121503054553 0.03696808784902 18.998 > 7 48 F 0.64181361760201 0.60121503054553 0.03696808784902 18.998 > 7 49 F 0.14181361760201 0.89878496945447 0.53696808784903 18.998 > 9 50 F 0.64181361760201 0.89878496945447 0.53696808784903 18.998 > 9 51 F 0.39181361760201 0.60121503054553 0.46303191215098 18.998 > 11 52 F 0.89181361760201 0.60121503054553 0.46303191215098 18.998 > 11 53 F 0.35818638239799 0.60121503054553 0.03696808784902 18.998 > 13 54 F 0.85818638239799 0.60121503054553 0.03696808784902 18.998 > 13 55 F 0.10818638239799 0.89878496945447 0.96303191215097 18.998 > 15 56 F 0.60818638239799 0.89878496945447 0.96303191215097 18.998 > 15 57 F 0.00000000000000 0.52532792944269 0.64551457480942 18.998 > 17 58 F 0.50000000000000 0.52532792944269 0.64551457480942 18.998 > 17 59 F 0.25000000000000 0.97467207055731 0.35448542519058 18.998 > 19 60 F 0.75000000000000 0.97467207055731 0.35448542519058 18.998 > 19 61 F 0.00000000000000 0.97467207055731 0.14551457480942 18.998 > 21 62 F 0.50000000000000 0.97467207055731 0.14551457480942 18.998 > 21 63 F 0.25000000000000 0.52532792944269 0.85448542519058 18.998 > 23 64 F 0.75000000000000 0.52532792944269 0.85448542519058 18.998 > 23 65 F 0.25000000000000 0.74290998226953 0.64994433899260 18.998 > 25 66 F 0.75000000000000 0.74290998226953 0.64994433899260 18.998 > 25 67 F 0.00000000000000 0.75709001773047 0.35005566100740 18.998 > 27 68 F 0.50000000000000 0.75709001773047 0.35005566100740 18.998 > 27 69 F 0.12500000000000 0.88682194119056 0.75000000000000 18.998 > 29 70 F 0.62500000000000 0.88682194119056 0.75000000000000 18.998 > 29 71 F 0.37500000000000 0.61317805880944 0.25000000000000 18.998 > 31 72 F 0.87500000000000 0.61317805880944 0.25000000000000 18.998 > 31 73 F 0.12500000000000 0.61317805880944 0.25000000000000 18.998 > 33 74 F 0.62500000000000 0.61317805880944 0.25000000000000 18.998 > 33 75 F 0.37500000000000 0.88682194119056 0.75000000000000 18.998 > 35 76 F 0.87500000000000 0.88682194119056 0.75000000000000 18.998 > 35 77 F 0.00000000000000 0.74290998226953 0.85005566100740 18.998 > 37 78 F 0.50000000000000 0.74290998226953 0.85005566100740 18.998 > 37 79 F 0.25000000000000 0.75709001773047 0.14994433899260 18.998 > 39 80 F 0.75000000000000 0.75709001773047 0.14994433899260 18.998 > 39 81 Zn 0.00000000000000 0.37743456940256 0.65490801737761 65.380 > 81 82 Zn 0.50000000000000 0.37743456940256 0.65490801737761 65.380 > 81 83 Zn 0.25000000000000 0.12256543059744 0.34509198262239 65.380 > 83 84 Zn 0.75000000000000 0.12256543059744 0.34509198262239 65.380 > 83 85 Zn 0.00000000000000 0.12256543059744 0.15490801737761 65.380 > 85 86 Zn 0.50000000000000 0.12256543059744 0.15490801737761 65.380 > 85 87 Zn 0.25000000000000 0.37743456940256 0.84509198262239 65.380 > 87 88 Zn 0.75000000000000 0.37743456940256 0.84509198262239 65.380 > 87 89 Zn 0.25000000000000 0.00000000000000 0.50000000000000 65.380 > 89 90 Zn 0.75000000000000 0.00000000000000 0.50000000000000 65.380 > 89 91 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 91 92 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 91 93 Zn 0.25000000000000 0.87743456940256 0.65490801737761 65.380 > 81 94 Zn 0.75000000000000 0.87743456940256 0.65490801737761 65.380 > 81 95 Zn 0.00000000000000 0.62256543059744 0.34509198262239 65.380 > 83 96 Zn 0.50000000000000 0.62256543059744 0.34509198262239 65.380 > 83 97 Zn 0.25000000000000 0.62256543059744 0.15490801737761 65.380 > 85 98 Zn 0.75000000000000 0.62256543059744 0.15490801737761 65.380 > 85 99 Zn 0.00000000000000 0.87743456940256 0.84509198262239 65.380 > 87 100 Zn 0.50000000000000 0.87743456940256 0.84509198262239 65.380 > 87 101 Zn 0.00000000000000 0.50000000000000 0.50000000000000 65.380 > 89 102 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 89 103 Zn 0.25000000000000 0.50000000000000 0.00000000000000 65.380 > 91 104 Zn 0.75000000000000 0.50000000000000 0.00000000000000 65.380 > 91 105 Cs 0.25000000000000 0.24340128174313 0.61066659714980 132.905 > 105 106 Cs 0.75000000000000 0.24340128174313 0.61066659714980 132.905 > 105 107 Cs 0.00000000000000 0.25659871825688 0.38933340285020 132.905 > 107 108 Cs 0.50000000000000 0.25659871825688 0.38933340285020 132.905 > 107 109 Cs 0.25000000000000 0.25659871825688 0.11066659714980 132.905 > 109 110 Cs 0.75000000000000 0.25659871825688 0.11066659714980 132.905 > 109 111 Cs 0.00000000000000 0.24340128174313 0.88933340285020 132.905 > 111 112 Cs 0.50000000000000 0.24340128174313 0.88933340285020 132.905 > 111 113 Cs 0.00000000000000 0.04237864381227 0.63868084015505 132.905 > 113 114 Cs 0.50000000000000 0.04237864381227 0.63868084015505 132.905 > 113 115 Cs 0.25000000000000 0.45762135618773 0.36131915984495 132.905 > 115 116 Cs 0.75000000000000 0.45762135618773 0.36131915984495 132.905 > 115 117 Cs 0.00000000000000 0.45762135618773 0.13868084015505 132.905 > 117 118 Cs 0.50000000000000 0.45762135618773 0.13868084015505 132.905 > 117 119 Cs 0.25000000000000 0.04237864381227 0.86131915984495 132.905 > 119 120 Cs 0.75000000000000 0.04237864381227 0.86131915984495 132.905 > 119 121 Cs 0.00000000000000 0.74340128174313 0.61066659714980 132.905 > 105 122 Cs 0.50000000000000 0.74340128174313 0.61066659714980 132.905 > 105 123 Cs 0.25000000000000 0.75659871825687 0.38933340285020 132.905 > 107 124 Cs 0.75000000000000 0.75659871825687 0.38933340285020 132.905 > 107 125 Cs 0.00000000000000 0.75659871825687 0.11066659714980 132.905 > 109 126 Cs 0.50000000000000 0.75659871825687 0.11066659714980 132.905 > 109 127 Cs 0.25000000000000 0.74340128174313 0.88933340285020 132.905 > 111 128 Cs 0.75000000000000 0.74340128174313 0.88933340285020 132.905 > 111 129 Cs 0.25000000000000 0.54237864381227 0.63868084015505 132.905 > 113 130 Cs 0.75000000000000 0.54237864381227 0.63868084015505 132.905 > 113 131 Cs 0.00000000000000 0.95762135618773 0.36131915984495 132.905 > 115 132 Cs 0.50000000000000 0.95762135618773 0.36131915984495 132.905 > 115 133 Cs 0.25000000000000 0.95762135618773 0.13868084015505 132.905 > 117 134 Cs 0.75000000000000 0.95762135618773 0.13868084015505 132.905 > 117 135 Cs 0.00000000000000 0.54237864381227 0.86131915984495 132.905 > 119 136 Cs 0.50000000000000 0.54237864381227 0.86131915984495 132.905 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4784477 0.0000000 0.0000000 0.0000000 2.4770091 0.0000000 0.0000000 0.0000000 2.4741440 -------------------------- Born effective charges -------------------------- 1 F -1.2308987 -0.1232379 -0.0573655 -0.0999720 -1.1645551 0.1090328 -0.0826161 0.1199372 -1.1888020 2 F -1.2308987 0.1232379 0.0573655 0.0999720 -1.1645551 0.1090328 0.0826161 0.1199372 -1.1888020 3 F -1.2308987 -0.1232379 0.0573655 -0.0999720 -1.1645551 -0.1090328 0.0826161 -0.1199372 -1.1888020 4 F -1.2308987 0.1232379 -0.0573655 0.0999720 -1.1645551 -0.1090328 -0.0826161 -0.1199372 -1.1888020 5 F -1.2308987 -0.1232379 -0.0573655 -0.0999720 -1.1645551 0.1090328 -0.0826161 0.1199372 -1.1888020 6 F -1.2308987 0.1232379 0.0573655 0.0999720 -1.1645551 0.1090328 0.0826161 0.1199372 -1.1888020 7 F -1.2308987 -0.1232379 0.0573655 -0.0999720 -1.1645551 -0.1090328 0.0826161 -0.1199372 -1.1888020 8 F -1.2308987 0.1232379 -0.0573655 0.0999720 -1.1645551 -0.1090328 -0.0826161 -0.1199372 -1.1888020 9 F -1.0160581 0.0000000 0.0000000 0.0000000 -1.2199017 -0.0278592 0.0000000 0.0245526 -1.3463178 10 F -1.0160581 0.0000000 0.0000000 0.0000000 -1.2199017 -0.0278592 0.0000000 0.0245526 -1.3463178 11 F -1.0160581 0.0000000 0.0000000 0.0000000 -1.2199017 0.0278592 0.0000000 -0.0245526 -1.3463178 12 F -1.0160581 0.0000000 0.0000000 0.0000000 -1.2199017 0.0278592 0.0000000 -0.0245526 -1.3463178 13 F -1.0809012 0.0000000 0.0000000 0.0000000 -1.5184702 -0.0246198 0.0000000 -0.0624520 -0.9557173 14 F -1.0809012 0.0000000 0.0000000 0.0000000 -1.5184702 -0.0246198 0.0000000 -0.0624520 -0.9557173 15 F -1.4385622 0.0000000 0.3766236 0.0000000 -0.9268223 0.0000000 0.3809960 0.0000000 -1.3131480 16 F -1.4385622 0.0000000 -0.3766236 0.0000000 -0.9268223 0.0000000 -0.3809960 0.0000000 -1.3131480 17 F -1.4385622 0.0000000 0.3766236 0.0000000 -0.9268223 0.0000000 0.3809960 0.0000000 -1.3131480 18 F -1.4385622 0.0000000 -0.3766236 0.0000000 -0.9268223 0.0000000 -0.3809960 0.0000000 -1.3131480 19 F -1.0809012 0.0000000 0.0000000 0.0000000 -1.5184702 0.0246198 0.0000000 0.0624520 -0.9557173 20 F -1.0809012 0.0000000 0.0000000 0.0000000 -1.5184702 0.0246198 0.0000000 0.0624520 -0.9557173 21 Zn 2.2195258 0.0000000 0.0000000 0.0000000 2.1252728 -0.1118993 0.0000000 -0.1058757 2.2689668 22 Zn 2.2195258 0.0000000 0.0000000 0.0000000 2.1252728 -0.1118993 0.0000000 -0.1058757 2.2689668 23 Zn 2.2195258 0.0000000 0.0000000 0.0000000 2.1252728 0.1118993 0.0000000 0.1058757 2.2689668 24 Zn 2.2195258 0.0000000 0.0000000 0.0000000 2.1252728 0.1118993 0.0000000 0.1058757 2.2689668 25 Zn 1.9845264 0.0000000 0.0000000 0.0000000 2.0938865 -0.2346426 0.0000000 -0.2794097 2.2522848 26 Zn 1.9845264 0.0000000 0.0000000 0.0000000 2.0938865 0.2346426 0.0000000 0.2794097 2.2522848 27 Cs 1.3878810 0.0000000 0.0000000 0.0000000 1.4343642 0.1365341 0.0000000 0.1179676 1.2621054 28 Cs 1.3878810 0.0000000 0.0000000 0.0000000 1.4343642 0.1365341 0.0000000 0.1179676 1.2621054 29 Cs 1.3878810 0.0000000 0.0000000 0.0000000 1.4343642 -0.1365341 0.0000000 -0.1179676 1.2621054 30 Cs 1.3878810 0.0000000 0.0000000 0.0000000 1.4343642 -0.1365341 0.0000000 -0.1179676 1.2621054 31 Cs 1.3976488 0.0000000 0.0000000 0.0000000 1.3877242 -0.0796832 0.0000000 -0.0894603 1.3355726 32 Cs 1.3976488 0.0000000 0.0000000 0.0000000 1.3877242 -0.0796832 0.0000000 -0.0894603 1.3355726 33 Cs 1.3976488 0.0000000 0.0000000 0.0000000 1.3877242 0.0796832 0.0000000 0.0894603 1.3355726 34 Cs 1.3976488 0.0000000 0.0000000 0.0000000 1.3877242 0.0796832 0.0000000 0.0894603 1.3355726 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 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: 0.49, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.018 ( 0.000 0.000 0.000) 0.000 1.034 ( 0.000 0.000 0.000) 0.000 1.171 ( 0.000 0.000 0.000) 0.000 1.175 ( 0.000 0.000 0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 1.271 ( 0.000 0.000 0.000) 0.000 1.352 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.760 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.439 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.499 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.786 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.164 ( 0.000 0.000 0.000) 0.000 6.205 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.761 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 7.807 ( 0.000 0.000 0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.364 ( 0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 0.000) 0.000 8.477 ( 0.000 0.000 0.000) 0.000 8.634 ( 0.000 0.000 0.000) 0.000 9.746 ( 0.000 0.000 0.000) 0.000 9.768 ( 0.000 0.000 0.000) 0.000 9.813 ( 0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 10.188 ( 0.000 0.000 0.000) 0.000 10.745 ( 0.000 0.000 0.000) 0.000 11.166 ( 0.000 0.000 0.000) 0.000 11.176 ( 0.000 0.000 0.000) 0.000 11.755 ( 0.000 0.000 0.000) 0.000 11.990 ( 0.000 0.000 0.000) 0.000 12.043 ( 0.000 0.000 0.000) 0.000 12.061 ( 0.000 0.000 0.000) 0.000 12.288 ( 0.000 0.000 0.000) 0.000 12.357 ( 0.000 0.000 0.000) 0.000 12.842 ( 0.000 0.000 0.000) 0.000 12.849 ( 0.000 0.000 0.000) 0.000 14.084 ( 0.000 0.000 0.000) 0.000 14.146 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 14.273 -9.097 0.000) 16.925 0.332 ( 15.577 -5.796 0.000) 16.620 0.671 ( 31.494 -11.247 0.000) 33.442 1.041 ( 0.810 0.184 0.000) 0.830 1.053 ( 4.520 3.091 0.000) 5.476 1.155 ( -0.099 0.628 0.000) 0.635 1.159 ( -1.575 -0.379 0.000) 1.620 1.190 ( 0.838 -2.418 0.000) 2.559 1.329 ( 5.224 -4.270 0.000) 6.747 1.362 ( 5.206 1.546 0.000) 5.431 1.411 ( 6.749 -3.245 0.000) 7.489 1.718 ( 1.194 -0.532 0.000) 1.307 1.732 ( 0.717 1.955 0.000) 2.083 1.770 ( 0.880 -0.297 0.000) 0.928 1.874 ( 0.769 0.967 0.000) 1.235 1.907 ( -1.902 -1.129 0.000) 2.212 1.946 ( 0.617 0.420 0.000) 0.746 1.974 ( -1.015 0.038 0.000) 1.016 2.034 ( -1.414 1.418 0.000) 2.003 2.052 ( 0.477 -1.425 0.000) 1.502 2.088 ( 1.318 0.592 0.000) 1.445 2.111 ( -4.005 -0.060 0.000) 4.005 2.199 ( -2.363 -0.621 0.000) 2.443 2.250 ( -0.624 1.044 0.000) 1.216 2.262 ( -2.839 -1.260 0.000) 3.106 2.345 ( -6.604 -0.720 0.000) 6.643 2.576 ( 0.727 7.004 0.000) 7.042 2.669 ( 7.315 2.644 0.000) 7.778 2.682 ( 4.549 0.089 0.000) 4.550 2.765 ( -0.435 -6.440 0.000) 6.455 2.780 ( 0.021 1.095 0.000) 1.095 2.810 ( 0.106 2.049 0.000) 2.052 2.874 ( -5.009 0.332 0.000) 5.020 2.923 ( 0.692 1.034 0.000) 1.244 2.944 ( -0.418 0.055 0.000) 0.421 3.069 ( 5.423 0.302 0.000) 5.431 3.187 ( 3.822 0.677 0.000) 3.881 3.255 ( 1.060 2.100 0.000) 2.353 3.368 ( -1.886 -0.206 0.000) 1.897 3.401 ( 0.311 -4.630 0.000) 4.641 3.423 ( -0.799 -0.642 0.000) 1.025 3.463 ( 0.651 -1.556 0.000) 1.686 3.466 ( -1.325 -0.610 0.000) 1.458 3.795 ( 1.239 0.484 0.000) 1.330 3.955 ( 2.083 0.526 0.000) 2.149 4.107 ( -2.501 0.132 0.000) 2.504 4.142 ( 0.482 -1.089 0.000) 1.191 4.219 ( 2.577 -1.124 0.000) 2.811 4.220 ( 0.911 -0.684 0.000) 1.139 4.288 ( 3.926 -0.148 0.000) 3.929 4.532 ( 7.417 8.334 0.000) 11.156 4.653 ( 4.113 3.167 0.000) 5.191 4.882 ( -4.339 0.246 0.000) 4.346 4.893 ( 1.252 -0.203 0.000) 1.269 5.057 ( -6.619 -0.799 0.000) 6.667 5.086 ( 3.181 -0.298 0.000) 3.195 5.122 ( 1.658 -0.032 0.000) 1.658 5.432 ( -2.479 -0.170 0.000) 2.485 5.531 ( 2.609 -0.023 0.000) 2.609 5.576 ( -2.595 0.490 0.000) 2.641 5.800 ( 1.322 -0.025 0.000) 1.322 5.946 ( 0.924 1.375 0.000) 1.656 6.163 ( -0.213 -0.413 0.000) 0.464 6.184 ( -2.043 -0.192 0.000) 2.052 6.217 ( -1.723 -0.610 0.000) 1.827 6.329 ( 7.942 6.613 0.000) 10.335 6.477 ( 2.367 -0.412 0.000) 2.403 6.529 ( 0.829 0.231 0.000) 0.861 6.655 ( -0.351 -0.091 0.000) 0.363 6.772 ( 1.095 -0.184 0.000) 1.110 6.842 ( 0.664 1.145 0.000) 1.324 6.967 ( 1.578 1.187 0.000) 1.975 7.232 ( 1.427 5.830 0.000) 6.002 7.319 ( 6.875 3.016 0.000) 7.507 7.435 ( 4.492 25.476 0.000) 25.869 7.437 ( 2.488 -5.283 0.000) 5.839 7.608 ( 3.817 3.562 0.000) 5.220 7.941 ( -10.601 -16.237 0.000) 19.391 8.309 ( 8.748 -0.333 0.000) 8.754 8.384 ( -1.758 0.527 0.000) 1.835 8.416 ( 5.705 -0.167 0.000) 5.708 8.474 ( -0.769 -1.629 0.000) 1.801 8.639 ( 0.876 0.390 0.000) 0.959 9.567 ( -11.542 0.815 0.000) 11.571 9.658 ( -12.391 0.278 0.000) 12.394 9.801 ( -8.003 -9.811 0.000) 12.661 10.174 ( 5.959 2.578 0.000) 6.492 10.221 ( 9.205 -2.501 0.000) 9.538 10.471 ( 2.339 6.175 0.000) 6.603 10.663 ( -7.717 -2.926 0.000) 8.253 11.300 ( 10.855 0.581 0.000) 10.871 11.755 ( -0.955 -2.174 0.000) 2.375 11.896 ( 12.763 28.190 0.000) 30.945 11.979 ( -1.487 -0.482 0.000) 1.563 12.054 ( -0.585 0.476 0.000) 0.755 12.184 ( -1.181 10.224 0.000) 10.292 12.296 ( -0.069 -0.992 0.000) 0.994 12.355 ( -0.215 0.057 0.000) 0.222 12.911 ( 4.291 -4.995 0.000) 6.585 13.110 ( -11.342 -36.065 0.000) 37.806 14.057 ( -3.091 -0.182 0.000) 3.096 14.104 ( -4.555 -0.339 0.000) 4.568 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 13.480 -5.174 0.000) 14.439 0.652 ( 14.420 -7.539 0.000) 16.272 1.054 ( 1.149 0.768 0.000) 1.382 1.088 ( 2.647 4.852 0.000) 5.528 1.152 ( 1.029 -0.710 0.000) 1.250 1.206 ( 5.959 0.668 0.000) 5.996 1.242 ( 2.502 -4.072 0.000) 4.779 1.294 ( 25.795 -10.826 0.000) 27.974 1.447 ( 4.900 -2.158 0.000) 5.354 1.478 ( 6.572 -5.216 0.000) 8.390 1.572 ( 8.020 0.169 0.000) 8.022 1.730 ( 1.130 2.852 0.000) 3.068 1.741 ( 0.931 0.037 0.000) 0.932 1.782 ( -0.251 -0.090 0.000) 0.266 1.863 ( -3.629 -1.015 0.000) 3.769 1.880 ( 0.717 1.698 0.000) 1.843 1.948 ( -0.738 2.067 0.000) 2.195 1.955 ( -1.609 -0.805 0.000) 1.799 1.985 ( -2.312 2.108 0.000) 3.128 1.989 ( -4.864 0.988 0.000) 4.963 2.064 ( -0.779 -2.382 0.000) 2.506 2.145 ( -3.817 1.161 0.000) 3.990 2.188 ( 5.872 -2.419 0.000) 6.351 2.213 ( -4.035 -2.723 0.000) 4.868 2.216 ( -0.998 1.557 0.000) 1.850 2.255 ( -4.462 -3.417 0.000) 5.621 2.510 ( -2.229 4.085 0.000) 4.653 2.687 ( -6.046 4.840 0.000) 7.744 2.690 ( -0.729 0.099 0.000) 0.736 2.784 ( -0.705 1.123 0.000) 1.326 2.815 ( 8.477 1.214 0.000) 8.564 2.848 ( -0.182 -2.349 0.000) 2.356 2.878 ( 6.679 -1.579 0.000) 6.863 2.961 ( 2.972 0.474 0.000) 3.009 2.973 ( 5.181 2.351 0.000) 5.690 3.182 ( 7.276 0.781 0.000) 7.318 3.240 ( 2.571 1.206 0.000) 2.839 3.256 ( 0.688 1.670 0.000) 1.806 3.332 ( -1.147 1.686 0.000) 2.039 3.410 ( -1.805 -0.606 0.000) 1.905 3.415 ( -0.215 -0.059 0.000) 0.223 3.473 ( -0.274 -0.203 0.000) 0.341 3.474 ( 1.001 -3.279 0.000) 3.428 3.810 ( 0.394 0.318 0.000) 0.506 3.947 ( -3.348 0.651 0.000) 3.410 4.107 ( 3.366 -0.122 0.000) 3.369 4.140 ( -2.100 -1.355 0.000) 2.499 4.262 ( 2.765 -1.069 0.000) 2.964 4.291 ( 3.693 -1.894 0.000) 4.150 4.380 ( 5.340 -0.691 0.000) 5.385 4.596 ( 6.249 7.963 0.000) 10.122 4.731 ( 5.230 -0.548 0.000) 5.259 4.785 ( -5.746 -0.078 0.000) 5.747 4.921 ( -8.403 -0.999 0.000) 8.463 4.928 ( 2.654 0.141 0.000) 2.658 5.153 ( 1.645 0.300 0.000) 1.672 5.158 ( 4.020 -0.096 0.000) 4.021 5.382 ( -2.975 -0.570 0.000) 3.029 5.460 ( -8.619 1.904 0.000) 8.826 5.560 ( 0.142 0.393 0.000) 0.418 5.845 ( 4.204 1.054 0.000) 4.334 5.995 ( 5.414 2.230 0.000) 5.855 6.151 ( -1.393 -0.997 0.000) 1.713 6.172 ( 0.656 -0.932 0.000) 1.140 6.188 ( -2.298 -1.725 0.000) 2.873 6.437 ( 8.655 5.602 0.000) 10.310 6.500 ( -0.410 0.685 0.000) 0.798 6.546 ( 1.452 0.259 0.000) 1.475 6.647 ( -0.898 -0.808 0.000) 1.208 6.788 ( -1.041 -2.851 0.000) 3.035 6.882 ( 4.546 -0.508 0.000) 4.575 6.979 ( 2.309 4.375 0.000) 4.947 7.247 ( 1.865 -0.549 0.000) 1.944 7.310 ( -1.349 12.711 0.000) 12.782 7.447 ( 8.652 3.077 0.000) 9.183 7.515 ( 5.244 1.860 0.000) 5.564 7.652 ( 2.156 -0.277 0.000) 2.174 7.853 ( -7.086 -3.238 0.000) 7.791 8.348 ( -1.289 0.171 0.000) 1.300 8.486 ( 0.646 -2.633 0.000) 2.711 8.496 ( 10.423 0.805 0.000) 10.454 8.567 ( 9.875 -1.782 0.000) 10.034 8.671 ( 3.670 0.025 0.000) 3.670 9.381 ( -17.068 0.702 0.000) 17.082 9.392 ( -7.540 -0.298 0.000) 7.546 9.689 ( -11.534 -7.928 0.000) 13.996 10.196 ( 0.283 -0.993 0.000) 1.033 10.430 ( -0.660 7.963 0.000) 7.990 10.437 ( 10.980 2.660 0.000) 11.298 10.595 ( -1.452 -0.907 0.000) 1.712 11.486 ( 9.778 0.983 0.000) 9.827 11.754 ( -1.633 -3.723 0.000) 4.065 11.910 ( 3.534 6.837 0.000) 7.697 11.940 ( -3.340 -0.294 0.000) 3.353 12.036 ( -0.711 0.822 0.000) 1.087 12.065 ( -3.504 8.214 0.000) 8.930 12.300 ( -0.343 -1.161 0.000) 1.210 12.349 ( -0.364 0.285 0.000) 0.462 13.064 ( 7.677 -5.927 0.000) 9.699 13.216 ( 1.179 -14.400 0.000) 14.448 13.976 ( -5.928 0.003 0.000) 5.928 14.000 ( -7.083 -0.568 0.000) 7.105 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 7.962 -3.863 0.000) 8.850 0.948 ( 12.084 -3.909 0.000) 12.701 1.070 ( 1.942 -0.386 0.000) 1.980 1.104 ( 2.786 2.601 0.000) 3.811 1.172 ( 0.468 -1.517 0.000) 1.588 1.315 ( 6.941 -0.016 0.000) 6.941 1.360 ( 7.304 -1.283 0.000) 7.416 1.548 ( 5.596 -1.972 0.000) 5.933 1.624 ( 5.137 -4.039 0.000) 6.535 1.651 ( 3.741 1.039 0.000) 3.882 1.717 ( -0.038 -0.459 0.000) 0.461 1.729 ( -4.054 0.729 0.000) 4.119 1.757 ( 3.715 -2.162 0.000) 4.298 1.761 ( -0.336 -0.067 0.000) 0.342 1.846 ( 4.933 -3.457 0.000) 6.024 1.856 ( -1.309 4.775 0.000) 4.951 1.862 ( -3.181 2.145 0.000) 3.837 1.925 ( -1.936 -1.544 0.000) 2.476 1.935 ( 0.870 1.266 0.000) 1.537 1.942 ( -1.499 -0.590 0.000) 1.611 2.050 ( -4.200 1.145 0.000) 4.353 2.113 ( 1.946 -4.303 0.000) 4.722 2.159 ( -3.357 -2.293 0.000) 4.066 2.159 ( -0.975 3.258 0.000) 3.401 2.250 ( -0.373 -5.253 0.000) 5.266 2.344 ( 6.386 -3.643 0.000) 7.352 2.454 ( -1.016 1.904 0.000) 2.158 2.553 ( -4.609 4.115 0.000) 6.178 2.690 ( 1.052 1.160 0.000) 1.566 2.759 ( -1.306 0.230 0.000) 1.326 2.860 ( -1.181 -3.179 0.000) 3.392 2.874 ( -0.156 0.287 0.000) 0.326 3.011 ( 2.809 0.420 0.000) 2.840 3.018 ( 6.907 0.609 0.000) 6.934 3.098 ( 9.649 2.870 0.000) 10.067 3.216 ( -2.095 3.042 0.000) 3.694 3.241 ( -0.037 4.926 0.000) 4.926 3.287 ( 1.765 -1.090 0.000) 2.074 3.372 ( 7.284 -0.890 0.000) 7.338 3.380 ( -1.620 0.111 0.000) 1.624 3.414 ( -0.601 0.106 0.000) 0.610 3.489 ( 4.939 1.394 0.000) 5.132 3.533 ( 3.362 -1.972 0.000) 3.898 3.789 ( -3.108 -0.241 0.000) 3.117 3.856 ( -5.705 0.255 0.000) 5.710 4.074 ( -6.827 -1.147 0.000) 6.923 4.197 ( 5.728 -0.227 0.000) 5.732 4.319 ( 2.612 -0.573 0.000) 2.674 4.362 ( 2.225 -1.478 0.000) 2.671 4.457 ( 1.251 -0.481 0.000) 1.341 4.640 ( 4.585 5.321 0.000) 7.024 4.701 ( -3.106 -1.351 0.000) 3.387 4.802 ( -4.587 -0.650 0.000) 4.633 4.817 ( 3.119 -0.181 0.000) 3.125 4.981 ( 3.133 0.471 0.000) 3.168 5.185 ( 2.976 0.446 0.000) 3.009 5.208 ( -0.328 0.019 0.000) 0.329 5.291 ( -5.658 2.304 0.000) 6.109 5.340 ( -2.400 -0.948 0.000) 2.581 5.518 ( -4.144 1.085 0.000) 4.284 5.926 ( 5.516 1.789 0.000) 5.799 6.054 ( 2.411 2.962 0.000) 3.819 6.158 ( 1.280 -0.497 0.000) 1.373 6.172 ( -1.421 -3.424 0.000) 3.708 6.218 ( 3.122 -2.471 0.000) 3.982 6.455 ( -2.954 2.005 0.000) 3.571 6.532 ( 6.212 5.256 0.000) 8.138 6.587 ( 3.226 -0.158 0.000) 3.230 6.634 ( -1.764 -2.079 0.000) 2.727 6.782 ( -2.199 -2.959 0.000) 3.687 6.981 ( 4.227 -1.417 0.000) 4.458 6.990 ( 2.827 4.529 0.000) 5.339 7.217 ( -0.638 4.793 0.000) 4.835 7.276 ( -0.596 -2.947 0.000) 3.007 7.526 ( 4.065 5.337 0.000) 6.709 7.630 ( 8.470 2.848 0.000) 8.935 7.657 ( -2.633 1.243 0.000) 2.912 7.775 ( -1.526 -0.327 0.000) 1.561 8.360 ( 3.323 0.028 0.000) 3.323 8.541 ( 3.060 -2.703 0.000) 4.083 8.602 ( 2.769 1.424 0.000) 3.114 8.773 ( 9.824 -3.270 0.000) 10.354 8.800 ( 9.283 1.285 0.000) 9.372 9.067 ( -16.843 -0.983 0.000) 16.871 9.297 ( -3.517 -0.802 0.000) 3.607 9.525 ( -11.823 -5.376 0.000) 12.988 10.211 ( 0.337 -1.605 0.000) 1.640 10.352 ( -2.922 3.014 0.000) 4.198 10.560 ( 5.425 3.182 0.000) 6.289 10.592 ( 1.728 3.595 0.000) 3.988 11.626 ( 6.435 0.481 0.000) 6.453 11.754 ( -1.756 -4.273 0.000) 4.620 11.867 ( -4.253 0.548 0.000) 4.288 11.888 ( -3.846 0.825 0.000) 3.934 11.975 ( 1.370 6.339 0.000) 6.485 12.018 ( -0.637 0.674 0.000) 0.928 12.304 ( -0.203 -1.172 0.000) 1.189 12.337 ( -0.448 0.647 0.000) 0.787 13.267 ( 9.960 -4.571 0.000) 10.959 13.366 ( 6.018 -7.321 0.000) 9.477 13.848 ( -7.894 0.564 0.000) 7.914 13.864 ( -8.317 -0.060 0.000) 8.317 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 2.506 -2.195 0.000) 3.331 1.023 ( -0.192 1.910 0.000) 1.920 1.141 ( 2.088 0.500 0.000) 2.147 1.158 ( 0.512 -0.113 0.000) 0.524 1.273 ( 10.120 -5.412 0.000) 11.476 1.445 ( -1.016 0.986 0.000) 1.416 1.474 ( 9.346 1.515 0.000) 9.468 1.624 ( -3.879 -0.183 0.000) 3.883 1.624 ( -0.726 0.636 0.000) 0.965 1.660 ( -2.073 -1.408 0.000) 2.506 1.684 ( 2.170 1.487 0.000) 2.631 1.718 ( -0.198 -2.164 0.000) 2.173 1.753 ( -0.825 -2.790 0.000) 2.909 1.770 ( 0.191 0.822 0.000) 0.844 1.799 ( 0.749 0.519 0.000) 0.911 1.821 ( -0.176 2.402 0.000) 2.409 1.823 ( -2.583 1.834 0.000) 3.168 1.885 ( -4.068 0.651 0.000) 4.120 1.924 ( -0.900 -0.198 0.000) 0.921 1.925 ( -1.888 0.108 0.000) 1.891 2.091 ( -0.811 -3.771 0.000) 3.857 2.107 ( -0.271 3.036 0.000) 3.048 2.195 ( 3.683 -0.847 0.000) 3.779 2.196 ( 2.159 -1.456 0.000) 2.604 2.324 ( 4.588 -4.175 0.000) 6.203 2.412 ( -2.777 -0.808 0.000) 2.892 2.461 ( 1.605 -2.462 0.000) 2.939 2.489 ( 1.426 3.040 0.000) 3.358 2.703 ( 2.206 2.411 0.000) 3.268 2.736 ( -2.136 -1.293 0.000) 2.497 2.848 ( -2.166 -2.566 0.000) 3.358 2.853 ( -0.527 1.935 0.000) 2.005 3.053 ( 2.281 0.565 0.000) 2.350 3.076 ( 0.155 -0.062 0.000) 0.166 3.162 ( -1.477 -0.394 0.000) 1.528 3.183 ( -1.138 4.451 0.000) 4.594 3.240 ( 7.515 1.874 0.000) 7.745 3.323 ( -0.343 -1.624 0.000) 1.660 3.340 ( -1.856 -0.522 0.000) 1.928 3.374 ( -2.014 1.099 0.000) 2.295 3.541 ( 9.450 -0.054 0.000) 9.450 3.625 ( 5.385 -0.857 0.000) 5.453 3.651 ( 11.510 0.849 0.000) 11.541 3.696 ( -7.345 -0.381 0.000) 7.354 3.751 ( -4.470 0.232 0.000) 4.476 3.904 ( -12.457 -0.668 0.000) 12.474 4.304 ( 5.612 -0.576 0.000) 5.642 4.360 ( 1.429 0.001 0.000) 1.429 4.386 ( -0.234 -0.517 0.000) 0.568 4.414 ( -4.510 0.605 0.000) 4.551 4.679 ( 3.313 3.544 0.000) 4.851 4.695 ( -1.256 -3.169 0.000) 3.409 4.784 ( 1.966 -0.376 0.000) 2.002 4.830 ( -1.498 0.301 0.000) 1.528 5.030 ( 3.219 0.529 0.000) 3.262 5.110 ( -5.901 0.513 0.000) 5.923 5.270 ( 5.726 -0.561 0.000) 5.754 5.280 ( 1.853 1.077 0.000) 2.144 5.312 ( -1.148 -1.024 0.000) 1.538 5.407 ( -6.682 1.202 0.000) 6.789 6.000 ( 3.914 1.426 0.000) 4.166 6.045 ( -1.437 0.582 0.000) 1.550 6.184 ( 1.757 1.722 0.000) 2.460 6.185 ( -0.749 -3.673 0.000) 3.749 6.302 ( 3.640 -2.091 0.000) 4.198 6.379 ( -3.384 2.085 0.000) 3.975 6.581 ( 3.414 3.817 0.000) 5.121 6.608 ( -2.201 -2.128 0.000) 3.062 6.668 ( 4.084 -1.412 0.000) 4.321 6.745 ( -3.490 -0.344 0.000) 3.507 7.009 ( 2.026 2.224 0.000) 3.009 7.022 ( 0.064 0.015 0.000) 0.066 7.228 ( 1.088 -4.141 0.000) 4.281 7.270 ( -0.384 2.184 0.000) 2.218 7.539 ( -0.001 -1.104 0.000) 1.104 7.575 ( -1.472 5.810 0.000) 5.993 7.735 ( 5.352 3.010 0.000) 6.140 7.774 ( -1.578 -2.744 0.000) 3.165 8.472 ( 9.003 1.016 0.000) 9.060 8.599 ( -3.294 -0.190 0.000) 3.299 8.629 ( 4.289 -2.448 0.000) 4.938 8.768 ( -10.192 2.449 0.000) 10.482 8.931 ( 4.208 -2.851 0.000) 5.083 8.953 ( 2.622 0.171 0.000) 2.627 9.284 ( 1.961 -0.071 0.000) 1.962 9.369 ( -8.203 -2.385 0.000) 8.543 10.236 ( 1.342 -1.413 0.000) 1.949 10.284 ( -2.798 1.163 0.000) 3.030 10.596 ( 1.510 2.860 0.000) 3.234 10.597 ( 0.836 0.716 0.000) 1.101 11.717 ( 3.958 -0.377 0.000) 3.975 11.761 ( -0.735 -3.576 0.000) 3.651 11.790 ( -3.574 0.422 0.000) 3.599 11.805 ( -2.287 3.288 0.000) 4.006 11.982 ( 1.517 1.107 0.000) 1.878 12.001 ( -0.903 0.272 0.000) 0.943 12.311 ( 0.092 -1.116 0.000) 1.120 12.324 ( -0.360 0.952 0.000) 1.017 13.483 ( 10.580 -2.835 0.000) 10.954 13.537 ( 7.920 -3.842 0.000) 8.803 13.683 ( -9.657 1.429 0.000) 9.762 13.706 ( -8.471 1.530 0.000) 8.608 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 16.938 -0.000 0.000) 16.938 0.597 ( 14.851 -0.000 0.000) 14.851 1.060 ( 1.016 -0.000 0.000) 1.016 1.145 ( -0.488 0.000 0.000) 0.488 1.147 ( 0.187 -0.000 0.000) 0.187 1.190 ( 6.963 -0.000 0.000) 6.963 1.205 ( 29.571 -0.000 0.000) 29.571 1.218 ( 4.870 -0.000 0.000) 4.870 1.431 ( 7.288 -0.000 0.000) 7.288 1.431 ( 4.464 -0.000 0.000) 4.464 1.572 ( 8.634 -0.000 0.000) 8.634 1.742 ( 1.316 -0.000 0.000) 1.316 1.755 ( 1.231 -0.000 0.000) 1.231 1.780 ( -0.200 0.000 0.000) 0.200 1.853 ( -3.793 0.000 0.000) 3.793 1.895 ( 1.060 -0.000 0.000) 1.060 1.947 ( -1.725 0.000 0.000) 1.725 1.961 ( 0.503 -0.000 0.000) 0.503 2.006 ( -2.254 0.000 0.000) 2.254 2.014 ( -5.344 0.000 0.000) 5.344 2.029 ( -2.220 0.000 0.000) 2.220 2.158 ( -2.033 0.000 0.000) 2.033 2.168 ( 6.553 -0.000 0.000) 6.553 2.184 ( -5.124 0.000 0.000) 5.124 2.226 ( -5.637 0.000 0.000) 5.637 2.231 ( -1.747 0.000 0.000) 1.747 2.552 ( -3.760 0.000 0.000) 3.760 2.687 ( -0.209 0.000 0.000) 0.209 2.740 ( -7.520 0.000 0.000) 7.520 2.780 ( -1.221 0.000 0.000) 1.221 2.827 ( 4.067 -0.000 0.000) 4.067 2.830 ( 0.387 -0.000 0.000) 0.387 2.856 ( 10.494 -0.000 0.000) 10.494 2.964 ( 2.673 -0.000 0.000) 2.673 2.994 ( 6.375 -0.000 0.000) 6.375 3.187 ( 7.659 -0.000 0.000) 7.659 3.240 ( 2.108 -0.000 0.000) 2.108 3.286 ( 0.410 -0.000 0.000) 0.410 3.344 ( -1.484 0.000 0.000) 1.484 3.402 ( 0.706 -0.000 0.000) 0.706 3.414 ( 0.056 -0.000 0.000) 0.056 3.444 ( 0.349 -0.000 0.000) 0.349 3.472 ( 0.668 -0.000 0.000) 0.668 3.814 ( 0.186 -0.000 0.000) 0.186 3.952 ( -3.707 0.000 0.000) 3.707 4.107 ( 3.498 -0.000 0.000) 3.498 4.129 ( -1.824 0.000 0.000) 1.824 4.253 ( 2.988 -0.000 0.000) 2.988 4.275 ( 3.863 -0.000 0.000) 3.863 4.374 ( 5.203 -0.000 0.000) 5.203 4.691 ( 7.429 -0.000 0.000) 7.429 4.702 ( 1.629 -0.000 0.000) 1.629 4.785 ( -5.962 0.000 0.000) 5.962 4.912 ( -8.136 0.000 0.000) 8.136 4.929 ( 2.802 -0.000 0.000) 2.802 5.155 ( 1.778 -0.000 0.000) 1.778 5.157 ( 4.079 -0.000 0.000) 4.079 5.378 ( -3.075 0.000 0.000) 3.075 5.475 ( -8.476 0.000 0.000) 8.476 5.564 ( 0.410 -0.000 0.000) 0.410 5.854 ( 4.416 -0.000 0.000) 4.416 6.013 ( 5.837 -0.000 0.000) 5.837 6.141 ( -2.017 0.000 0.000) 2.017 6.165 ( 0.464 -0.000 0.000) 0.464 6.174 ( -2.687 0.000 0.000) 2.687 6.494 ( 8.457 -0.000 0.000) 8.457 6.500 ( 0.010 -0.000 0.000) 0.010 6.549 ( 1.364 -0.000 0.000) 1.364 6.640 ( -1.282 0.000 0.000) 1.282 6.761 ( -2.281 0.000 0.000) 2.281 6.878 ( 4.178 -0.000 0.000) 4.178 7.017 ( 3.051 -0.000 0.000) 3.051 7.241 ( -1.562 0.000 0.000) 1.562 7.447 ( -6.755 0.000 0.000) 6.755 7.481 ( 8.330 -0.000 0.000) 8.330 7.520 ( 8.002 -0.000 0.000) 8.002 7.704 ( -3.409 0.000 0.000) 3.409 7.734 ( 0.377 -0.000 0.000) 0.377 8.349 ( -1.684 0.000 0.000) 1.684 8.465 ( 0.908 -0.000 0.000) 0.908 8.516 ( 13.361 -0.000 0.000) 13.361 8.554 ( 9.413 -0.000 0.000) 9.413 8.667 ( 1.627 -0.000 0.000) 1.627 9.389 ( -8.017 0.000 0.000) 8.017 9.390 ( -17.652 0.000 0.000) 17.652 9.616 ( -9.029 0.000 0.000) 9.029 10.188 ( 0.066 -0.000 0.000) 0.066 10.461 ( 11.689 -0.000 0.000) 11.689 10.509 ( -7.129 0.000 0.000) 7.129 10.577 ( 4.547 -0.000 0.000) 4.547 11.495 ( 9.601 -0.000 0.000) 9.601 11.722 ( -1.648 0.000 0.000) 1.648 11.938 ( -2.940 0.000 0.000) 2.940 11.959 ( -3.781 0.000 0.000) 3.781 12.042 ( -0.908 0.000 0.000) 0.908 12.176 ( -5.736 0.000 0.000) 5.736 12.289 ( -0.159 0.000 0.000) 0.159 12.351 ( -0.252 0.000 0.000) 0.252 13.009 ( 8.975 -0.000 0.000) 8.975 13.065 ( 9.782 -0.000 0.000) 9.782 13.976 ( -5.728 0.000 0.000) 5.728 13.995 ( -6.999 0.000 0.000) 6.999 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 9.640 -1.533 0.000) 9.761 0.900 ( 16.266 -1.781 0.000) 16.363 1.073 ( 0.523 0.288 0.000) 0.597 1.136 ( 0.451 1.221 0.000) 1.302 1.155 ( 0.189 -0.598 0.000) 0.627 1.293 ( 6.380 -1.295 0.000) 6.510 1.377 ( 10.574 1.639 0.000) 10.700 1.528 ( 6.165 -0.597 0.000) 6.194 1.570 ( 6.526 -2.385 0.000) 6.948 1.642 ( 11.188 -1.763 0.000) 11.326 1.678 ( 2.877 -1.141 0.000) 3.095 1.737 ( -4.610 0.295 0.000) 4.620 1.760 ( 0.470 -0.068 0.000) 0.475 1.769 ( -3.248 0.991 0.000) 3.396 1.821 ( 7.828 -0.096 0.000) 7.829 1.886 ( -2.689 0.926 0.000) 2.844 1.906 ( -2.762 -0.768 0.000) 2.867 1.915 ( -3.116 1.141 0.000) 3.318 1.958 ( 0.059 3.830 0.000) 3.830 1.962 ( -0.900 1.377 0.000) 1.645 2.039 ( 1.151 -5.108 0.000) 5.237 2.072 ( -5.464 1.472 0.000) 5.659 2.112 ( -4.497 -2.664 0.000) 5.226 2.188 ( 0.341 -2.421 0.000) 2.445 2.198 ( -0.865 1.279 0.000) 1.544 2.302 ( 6.856 -1.522 0.000) 7.023 2.483 ( -2.879 1.301 0.000) 3.160 2.612 ( -4.940 2.805 0.000) 5.681 2.702 ( 1.784 0.400 0.000) 1.829 2.745 ( -3.126 -1.597 0.000) 3.510 2.831 ( -0.564 -0.602 0.000) 0.825 2.869 ( 0.937 -0.515 0.000) 1.069 3.013 ( 2.628 -0.066 0.000) 2.629 3.023 ( 6.660 0.126 0.000) 6.662 3.131 ( 8.246 1.135 0.000) 8.324 3.254 ( -2.523 1.154 0.000) 2.774 3.279 ( 1.563 0.363 0.000) 1.604 3.300 ( -0.863 2.524 0.000) 2.667 3.354 ( 8.725 -1.227 0.000) 8.810 3.377 ( -2.695 -0.385 0.000) 2.722 3.420 ( 0.076 0.387 0.000) 0.395 3.505 ( 4.875 0.529 0.000) 4.904 3.507 ( 4.844 -1.022 0.000) 4.950 3.788 ( -3.231 0.048 0.000) 3.231 3.858 ( -5.933 0.043 0.000) 5.933 4.061 ( -6.393 -0.419 0.000) 6.406 4.197 ( 5.713 0.063 0.000) 5.713 4.313 ( 3.091 -0.253 0.000) 3.102 4.343 ( 2.859 -0.751 0.000) 2.956 4.451 ( 2.134 -0.262 0.000) 2.150 4.688 ( -4.279 -0.400 0.000) 4.298 4.714 ( 2.121 3.384 0.000) 3.994 4.793 ( -4.320 -0.352 0.000) 4.334 4.809 ( 4.011 -0.795 0.000) 4.089 4.985 ( 3.127 0.089 0.000) 3.128 5.190 ( 2.666 0.169 0.000) 2.672 5.208 ( 0.071 -0.007 0.000) 0.071 5.316 ( -6.512 0.878 0.000) 6.570 5.329 ( -2.497 -0.401 0.000) 2.529 5.531 ( -3.950 0.471 0.000) 3.978 5.949 ( 6.118 0.974 0.000) 6.195 6.097 ( 0.150 2.300 0.000) 2.305 6.131 ( -2.446 -1.634 0.000) 2.941 6.143 ( 4.673 -1.319 0.000) 4.856 6.187 ( 1.967 -1.093 0.000) 2.251 6.473 ( -2.661 0.523 0.000) 2.712 6.586 ( 3.034 0.061 0.000) 3.035 6.610 ( -2.324 -0.905 0.000) 2.494 6.618 ( 6.284 4.942 0.000) 7.995 6.728 ( -1.851 -3.609 0.000) 4.056 6.961 ( 4.042 -0.765 0.000) 4.114 7.062 ( 3.235 3.965 0.000) 5.118 7.215 ( -2.238 -3.743 0.000) 4.361 7.292 ( -7.215 3.660 0.000) 8.090 7.588 ( 3.332 2.194 0.000) 3.989 7.660 ( -0.942 0.142 0.000) 0.952 7.667 ( 8.351 1.509 0.000) 8.487 7.749 ( -1.081 -2.428 0.000) 2.658 8.356 ( 3.254 -0.316 0.000) 3.269 8.512 ( 3.707 -0.991 0.000) 3.837 8.666 ( 3.186 5.723 0.000) 6.550 8.738 ( 9.886 -1.138 0.000) 9.951 8.780 ( 10.539 -3.676 0.000) 11.162 9.057 ( -18.429 -0.293 0.000) 18.431 9.285 ( -3.668 -0.539 0.000) 3.707 9.459 ( -9.482 -2.537 0.000) 9.816 10.196 ( 0.767 -0.421 0.000) 0.874 10.392 ( -4.882 1.555 0.000) 5.123 10.604 ( 4.869 1.847 0.000) 5.208 10.639 ( 2.694 1.917 0.000) 3.306 11.632 ( 5.772 0.223 0.000) 5.776 11.701 ( -1.459 -2.100 0.000) 2.557 11.874 ( -3.955 0.227 0.000) 3.962 11.895 ( -2.798 0.219 0.000) 2.807 12.023 ( -1.106 0.097 0.000) 1.110 12.062 ( -4.144 3.662 0.000) 5.530 12.290 ( 0.006 -0.469 0.000) 0.469 12.345 ( -0.273 0.294 0.000) 0.401 13.208 ( 11.373 -2.496 0.000) 11.644 13.270 ( 10.339 -3.823 0.000) 11.023 13.853 ( -7.700 0.156 0.000) 7.702 13.864 ( -7.513 0.015 0.000) 7.513 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 3.459 -1.334 0.000) 3.707 1.055 ( -0.065 1.958 0.000) 1.960 1.145 ( 0.948 0.073 0.000) 0.950 1.154 ( -0.334 -0.501 0.000) 0.602 1.206 ( 13.108 -3.104 0.000) 13.471 1.440 ( 6.942 -0.788 0.000) 6.987 1.526 ( 5.702 4.217 0.000) 7.092 1.617 ( -5.464 -0.352 0.000) 5.476 1.635 ( -0.740 0.596 0.000) 0.950 1.646 ( 2.886 -0.554 0.000) 2.939 1.680 ( 0.846 -2.661 0.000) 2.792 1.696 ( -2.327 0.038 0.000) 2.328 1.725 ( -0.019 -1.050 0.000) 1.051 1.773 ( 0.322 -0.079 0.000) 0.331 1.811 ( -1.666 0.834 0.000) 1.864 1.851 ( -1.488 1.897 0.000) 2.411 1.867 ( -1.409 2.290 0.000) 2.689 1.894 ( -1.637 0.013 0.000) 1.637 1.930 ( -4.590 0.554 0.000) 4.624 1.933 ( -0.344 2.129 0.000) 2.157 2.038 ( -2.344 -2.532 0.000) 3.451 2.100 ( 1.107 -3.405 0.000) 3.580 2.183 ( 8.167 -0.508 0.000) 8.183 2.199 ( 2.299 1.508 0.000) 2.749 2.253 ( 6.634 -4.423 0.000) 7.973 2.395 ( 0.962 -1.180 0.000) 1.522 2.441 ( -1.114 -0.343 0.000) 1.166 2.539 ( 0.073 3.268 0.000) 3.269 2.702 ( -3.589 -2.935 0.000) 4.636 2.731 ( 1.872 1.218 0.000) 2.233 2.820 ( -1.063 -0.955 0.000) 1.429 2.877 ( 0.457 1.031 0.000) 1.128 3.056 ( 1.986 -0.085 0.000) 1.987 3.073 ( -0.569 -0.250 0.000) 0.622 3.170 ( -4.540 1.148 0.000) 4.683 3.241 ( -2.242 2.747 0.000) 3.546 3.258 ( 5.987 0.638 0.000) 6.021 3.302 ( -2.289 -0.967 0.000) 2.484 3.327 ( -0.992 -1.105 0.000) 1.484 3.395 ( -1.613 1.357 0.000) 2.108 3.541 ( 10.228 -0.028 0.000) 10.228 3.609 ( 4.647 -0.952 0.000) 4.743 3.666 ( 11.912 0.984 0.000) 11.953 3.699 ( -5.614 0.449 0.000) 5.632 3.752 ( -4.935 -0.133 0.000) 4.936 3.895 ( -12.288 -0.456 0.000) 12.296 4.300 ( 5.696 -0.016 0.000) 5.696 4.360 ( 1.907 -0.027 0.000) 1.907 4.376 ( 0.239 -0.600 0.000) 0.646 4.425 ( -4.069 0.823 0.000) 4.151 4.651 ( -1.746 -2.362 0.000) 2.937 4.731 ( 2.293 2.798 0.000) 3.617 4.780 ( 2.043 -0.227 0.000) 2.055 4.835 ( -1.180 0.211 0.000) 1.198 5.036 ( 2.831 0.219 0.000) 2.839 5.117 ( -6.573 0.347 0.000) 6.582 5.264 ( 5.167 -0.166 0.000) 5.169 5.294 ( 1.671 0.666 0.000) 1.799 5.296 ( -1.358 -0.938 0.000) 1.651 5.423 ( -7.020 0.785 0.000) 7.064 6.028 ( 3.193 2.229 0.000) 3.894 6.054 ( -3.118 0.491 0.000) 3.156 6.127 ( -0.055 -3.733 0.000) 3.734 6.208 ( 2.866 1.342 0.000) 3.165 6.270 ( 4.392 -1.799 0.000) 4.746 6.406 ( -3.617 1.310 0.000) 3.847 6.571 ( -3.202 -2.033 0.000) 3.792 6.637 ( 0.692 2.987 0.000) 3.066 6.660 ( 4.982 -0.072 0.000) 4.982 6.744 ( 0.265 0.216 0.000) 0.342 7.018 ( 0.966 -0.603 0.000) 1.139 7.059 ( 0.189 4.289 0.000) 4.293 7.170 ( -4.861 -2.800 0.000) 5.609 7.238 ( 0.924 -5.160 0.000) 5.242 7.557 ( -4.045 2.311 0.000) 4.659 7.638 ( -0.904 2.277 0.000) 2.450 7.739 ( -1.909 -1.641 0.000) 2.517 7.780 ( 5.462 2.440 0.000) 5.982 8.481 ( 9.708 -0.076 0.000) 9.709 8.597 ( 4.131 -1.427 0.000) 4.371 8.628 ( -4.669 4.059 0.000) 6.187 8.774 ( -11.518 -1.964 0.000) 11.684 8.896 ( 5.638 -1.542 0.000) 5.845 8.956 ( 5.917 0.140 0.000) 5.919 9.276 ( 2.498 -0.782 0.000) 2.617 9.329 ( -6.383 -2.273 0.000) 6.776 10.227 ( 2.574 -0.067 0.000) 2.574 10.313 ( -2.313 2.052 0.000) 3.092 10.618 ( -1.282 1.628 0.000) 2.072 10.643 ( -0.138 2.748 0.000) 2.751 11.706 ( 0.032 -3.013 0.000) 3.014 11.709 ( 3.115 -0.536 0.000) 3.160 11.798 ( -4.065 0.372 0.000) 4.082 11.851 ( -1.047 2.406 0.000) 2.624 11.994 ( -1.531 0.392 0.000) 1.581 12.000 ( -1.629 -0.238 0.000) 1.647 12.297 ( 0.292 -0.657 0.000) 0.719 12.337 ( -0.239 0.660 0.000) 0.701 13.439 ( 11.675 -2.562 0.000) 11.953 13.483 ( 10.457 -2.642 0.000) 10.785 13.699 ( -9.047 0.684 0.000) 9.073 13.727 ( -7.178 1.058 0.000) 7.256 ======================= Grid point 13 (9/75) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 0.450 -1.316 0.000) 1.391 1.021 ( -1.683 2.355 0.000) 2.894 1.129 ( -3.038 -1.077 0.000) 3.223 1.159 ( 0.222 0.018 0.000) 0.223 1.363 ( -8.316 5.779 0.000) 10.127 1.425 ( 5.652 -0.697 0.000) 5.694 1.465 ( -8.467 -0.549 0.000) 8.485 1.618 ( 4.284 -0.793 0.000) 4.357 1.618 ( -0.841 -0.088 0.000) 0.846 1.654 ( -4.179 -2.093 0.000) 4.674 1.691 ( 2.470 2.192 0.000) 3.303 1.738 ( 0.934 -2.603 0.000) 2.765 1.745 ( 1.733 1.370 0.000) 2.209 1.790 ( 1.477 -2.168 0.000) 2.623 1.806 ( -4.745 0.902 0.000) 4.830 1.810 ( 2.247 4.090 0.000) 4.667 1.812 ( -0.035 1.234 0.000) 1.235 1.881 ( 4.759 0.013 0.000) 4.759 1.925 ( 1.400 -0.240 0.000) 1.420 1.928 ( 1.505 0.687 0.000) 1.655 2.039 ( -0.372 -4.816 0.000) 4.830 2.130 ( 1.286 0.507 0.000) 1.383 2.216 ( -0.718 2.289 0.000) 2.399 2.218 ( -0.811 0.980 0.000) 1.272 2.373 ( -1.315 2.172 0.000) 2.539 2.418 ( 5.386 -0.043 0.000) 5.386 2.448 ( -0.185 -2.236 0.000) 2.243 2.513 ( -2.837 3.729 0.000) 4.685 2.657 ( -2.807 -3.384 0.000) 4.397 2.748 ( 0.604 0.503 0.000) 0.786 2.824 ( 0.696 -1.517 0.000) 1.669 2.889 ( 2.808 2.313 0.000) 3.638 3.040 ( -2.816 -0.983 0.000) 2.982 3.069 ( -1.793 -1.095 0.000) 2.101 3.122 ( -0.558 -2.636 0.000) 2.695 3.180 ( -1.712 1.674 0.000) 2.395 3.200 ( -8.968 -3.158 0.000) 9.508 3.341 ( 2.996 0.200 0.000) 3.003 3.352 ( -1.707 1.403 0.000) 2.210 3.364 ( 2.559 -0.348 0.000) 2.582 3.541 ( -8.421 -0.060 0.000) 8.421 3.630 ( -4.453 -0.099 0.000) 4.454 3.643 ( -12.492 -0.088 0.000) 12.493 3.713 ( 7.135 1.515 0.000) 7.294 3.746 ( 4.967 -0.369 0.000) 4.980 3.913 ( 12.788 0.464 0.000) 12.796 4.318 ( -5.640 1.171 0.000) 5.761 4.360 ( -1.100 0.052 0.000) 1.101 4.390 ( 0.494 -0.016 0.000) 0.494 4.407 ( 5.004 -0.250 0.000) 5.010 4.630 ( -3.272 -2.697 0.000) 4.240 4.742 ( 0.795 2.655 0.000) 2.772 4.790 ( -2.079 0.381 0.000) 2.114 4.827 ( 1.852 -0.100 0.000) 1.855 5.021 ( -3.984 -0.530 0.000) 4.019 5.102 ( 4.935 -0.484 0.000) 4.959 5.264 ( -2.006 -0.956 0.000) 2.222 5.280 ( -6.888 0.593 0.000) 6.914 5.325 ( 1.472 0.681 0.000) 1.622 5.389 ( 6.424 -1.109 0.000) 6.519 5.983 ( -4.853 -0.883 0.000) 4.933 6.038 ( -0.692 -0.285 0.000) 0.748 6.157 ( 0.278 -1.617 0.000) 1.641 6.236 ( 1.731 2.831 0.000) 3.318 6.331 ( -3.449 1.624 0.000) 3.812 6.347 ( 2.872 -1.873 0.000) 3.429 6.527 ( -3.923 -2.971 0.000) 4.921 6.623 ( -0.873 0.178 0.000) 0.891 6.713 ( -1.209 3.997 0.000) 4.176 6.752 ( 4.968 0.499 0.000) 4.993 6.988 ( -3.561 -0.545 0.000) 3.602 7.024 ( -1.600 0.487 0.000) 1.672 7.184 ( 0.655 -7.596 0.000) 7.625 7.276 ( -1.566 1.235 0.000) 1.994 7.482 ( -1.700 -4.988 0.000) 5.270 7.581 ( -3.409 3.224 0.000) 4.692 7.694 ( -5.060 -2.175 0.000) 5.508 7.819 ( 1.248 2.918 0.000) 3.173 8.458 ( -9.220 -0.595 0.000) 9.239 8.617 ( 2.845 1.442 0.000) 3.190 8.664 ( -3.601 1.866 0.000) 4.056 8.715 ( 7.879 -3.791 0.000) 8.744 8.955 ( 1.702 0.534 0.000) 1.784 8.973 ( -2.960 2.252 0.000) 3.719 9.276 ( -0.981 -1.019 0.000) 1.414 9.392 ( 9.894 0.496 0.000) 9.907 10.273 ( -0.169 3.076 0.000) 3.081 10.286 ( 4.010 1.277 0.000) 4.208 10.561 ( -4.077 -1.658 0.000) 4.401 10.598 ( -3.159 0.700 0.000) 3.236 11.720 ( -4.662 0.034 0.000) 4.662 11.755 ( 2.927 -3.025 0.000) 4.210 11.772 ( 3.636 -0.909 0.000) 3.748 11.825 ( 0.772 3.570 0.000) 3.652 11.965 ( -2.982 -1.001 0.000) 3.146 11.987 ( -0.265 -1.620 0.000) 1.641 12.310 ( 0.602 -0.689 0.000) 0.915 12.328 ( -0.037 0.926 0.000) 0.927 13.521 ( -9.363 2.069 0.000) 9.589 13.590 ( -6.275 2.789 0.000) 6.867 13.656 ( 10.405 -1.804 0.000) 10.560 13.685 ( 10.233 -1.107 0.000) 10.293 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -5.376 4.512 0.000) 7.018 0.987 ( -3.600 0.564 0.000) 3.644 1.064 ( -4.758 -2.359 0.000) 5.310 1.107 ( -5.347 4.397 0.000) 6.922 1.204 ( -2.365 2.846 0.000) 3.700 1.298 ( -8.014 -1.234 0.000) 8.109 1.412 ( -3.663 4.340 0.000) 5.679 1.586 ( -4.164 2.210 0.000) 4.714 1.606 ( -4.511 -4.033 0.000) 6.051 1.683 ( -2.014 3.020 0.000) 3.630 1.709 ( -0.648 -0.055 0.000) 0.650 1.717 ( 3.237 -0.464 0.000) 3.270 1.758 ( -0.733 -0.757 0.000) 1.053 1.783 ( 2.442 -4.039 0.000) 4.720 1.789 ( 0.253 -0.149 0.000) 0.294 1.839 ( 1.961 -0.635 0.000) 2.061 1.891 ( 4.270 2.425 0.000) 4.911 1.947 ( 2.722 1.676 0.000) 3.197 1.955 ( 1.905 0.795 0.000) 2.064 1.976 ( -0.859 3.972 0.000) 4.064 2.062 ( -4.107 4.936 0.000) 6.421 2.091 ( 1.230 -5.057 0.000) 5.204 2.166 ( -2.793 2.355 0.000) 3.653 2.178 ( 2.356 -0.232 0.000) 2.368 2.336 ( 0.320 5.378 0.000) 5.388 2.399 ( -5.055 2.623 0.000) 5.695 2.436 ( -1.217 -0.328 0.000) 1.260 2.500 ( 4.092 -2.007 0.000) 4.557 2.665 ( 0.086 -2.226 0.000) 2.228 2.748 ( -0.333 -0.848 0.000) 0.911 2.856 ( 0.699 -1.672 0.000) 1.813 2.913 ( 1.114 3.138 0.000) 3.330 2.998 ( -3.004 -1.172 0.000) 3.225 2.998 ( -7.641 -2.171 0.000) 7.944 3.046 ( -10.637 -3.832 0.000) 11.306 3.158 ( 0.076 -5.269 0.000) 5.270 3.175 ( 0.708 -2.066 0.000) 2.184 3.306 ( -2.011 1.321 0.000) 2.406 3.376 ( 1.283 -0.309 0.000) 1.319 3.382 ( -6.710 0.532 0.000) 6.732 3.419 ( 1.180 0.631 0.000) 1.338 3.464 ( -5.670 -1.648 0.000) 5.905 3.560 ( -2.165 1.367 0.000) 2.560 3.797 ( 2.784 0.819 0.000) 2.902 3.850 ( 5.418 -0.386 0.000) 5.431 4.095 ( 7.623 1.413 0.000) 7.753 4.205 ( -5.846 0.715 0.000) 5.890 4.328 ( -1.957 0.551 0.000) 2.033 4.381 ( -1.425 0.783 0.000) 1.626 4.464 ( -0.404 0.328 0.000) 0.520 4.569 ( -5.853 -3.379 0.000) 6.758 4.729 ( 1.929 2.121 0.000) 2.867 4.810 ( 4.635 0.293 0.000) 4.644 4.818 ( -3.067 0.047 0.000) 3.067 4.970 ( -3.006 -0.932 0.000) 3.147 5.177 ( -3.603 -0.527 0.000) 3.641 5.207 ( 1.311 -0.101 0.000) 1.315 5.250 ( 3.880 -2.754 0.000) 4.758 5.355 ( 2.399 1.029 0.000) 2.611 5.500 ( 4.491 -1.168 0.000) 4.640 5.898 ( -5.554 -1.818 0.000) 5.844 6.011 ( -3.597 -2.483 0.000) 4.370 6.161 ( -0.179 -0.031 0.000) 0.182 6.229 ( 0.782 3.723 0.000) 3.804 6.255 ( -3.274 2.199 0.000) 3.944 6.410 ( 1.004 -3.416 0.000) 3.561 6.470 ( -4.492 -2.946 0.000) 5.372 6.589 ( -2.843 0.049 0.000) 2.843 6.673 ( 0.129 2.919 0.000) 2.922 6.819 ( 3.283 1.923 0.000) 3.804 6.933 ( -3.771 -2.854 0.000) 4.729 6.991 ( -3.047 -0.375 0.000) 3.070 7.170 ( -6.243 -0.965 0.000) 6.317 7.268 ( 2.578 -4.700 0.000) 5.361 7.464 ( -8.239 -1.379 0.000) 8.354 7.590 ( -1.759 -4.418 0.000) 4.755 7.590 ( -0.657 -4.800 0.000) 4.845 7.788 ( -2.104 1.842 0.000) 2.796 8.353 ( -3.122 -0.843 0.000) 3.233 8.589 ( -2.234 3.271 0.000) 3.961 8.612 ( -1.279 1.775 0.000) 2.187 8.755 ( -7.306 -3.892 0.000) 8.277 8.830 ( -9.643 3.674 0.000) 10.319 9.089 ( 15.103 1.996 0.000) 15.234 9.304 ( 3.465 0.021 0.000) 3.465 9.599 ( 14.077 3.540 0.000) 14.515 10.249 ( 0.119 3.435 0.000) 3.437 10.321 ( -0.303 -0.369 0.000) 0.478 10.519 ( -6.331 -2.044 0.000) 6.653 10.537 ( -0.012 -3.461 0.000) 3.461 11.619 ( -6.987 -0.425 0.000) 7.000 11.819 ( 1.525 3.717 0.000) 4.017 11.857 ( 4.944 -3.678 0.000) 6.161 11.859 ( 5.156 -0.445 0.000) 5.175 11.903 ( -5.113 -2.127 0.000) 5.538 11.999 ( 0.025 -1.845 0.000) 1.845 12.322 ( 0.226 1.084 0.000) 1.107 12.328 ( 0.749 -0.546 0.000) 0.927 13.337 ( -8.136 4.244 0.000) 9.177 13.466 ( -3.662 5.177 0.000) 6.341 13.837 ( 8.602 -0.746 0.000) 8.634 13.865 ( 9.184 0.055 0.000) 9.184 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -10.878 7.333 0.000) 13.119 0.793 ( -10.738 9.951 0.000) 14.640 1.019 ( -3.185 -3.748 0.000) 4.919 1.040 ( -1.672 -0.722 0.000) 1.821 1.168 ( -1.251 1.221 0.000) 1.748 1.194 ( -4.695 -0.902 0.000) 4.781 1.315 ( -2.460 5.325 0.000) 5.866 1.463 ( -8.421 5.486 0.000) 10.051 1.540 ( -13.860 12.482 0.000) 18.653 1.556 ( -7.601 -1.472 0.000) 7.742 1.568 ( -4.939 5.921 0.000) 7.710 1.691 ( -2.295 -0.880 0.000) 2.458 1.744 ( 0.006 0.513 0.000) 0.513 1.769 ( -0.046 -2.202 0.000) 2.202 1.859 ( 0.378 -0.388 0.000) 0.541 1.871 ( 2.365 -0.158 0.000) 2.371 1.900 ( 3.581 -3.733 0.000) 5.173 1.961 ( 2.224 0.155 0.000) 2.230 1.972 ( 1.458 1.135 0.000) 1.848 1.986 ( 2.494 0.391 0.000) 2.525 2.089 ( -1.777 0.463 0.000) 1.836 2.130 ( 4.922 -0.591 0.000) 4.957 2.169 ( 1.968 -3.033 0.000) 3.615 2.244 ( 4.116 0.554 0.000) 4.154 2.259 ( -6.100 5.141 0.000) 7.977 2.317 ( 2.086 3.974 0.000) 4.488 2.457 ( 1.429 -2.296 0.000) 2.705 2.608 ( 4.736 -5.123 0.000) 6.976 2.682 ( 0.648 -0.817 0.000) 1.043 2.755 ( -0.367 -2.260 0.000) 2.290 2.790 ( -10.136 -1.973 0.000) 10.327 2.869 ( -8.731 -2.954 0.000) 9.217 2.885 ( -1.324 2.179 0.000) 2.550 2.944 ( -0.749 -1.071 0.000) 1.307 2.947 ( -3.534 -1.341 0.000) 3.780 3.160 ( -4.735 -2.340 0.000) 5.282 3.193 ( -1.718 -3.139 0.000) 3.578 3.263 ( -1.416 1.175 0.000) 1.840 3.292 ( -1.702 -3.037 0.000) 3.481 3.410 ( -0.380 -0.846 0.000) 0.927 3.418 ( 3.524 0.438 0.000) 3.551 3.481 ( 2.804 0.737 0.000) 2.899 3.525 ( -0.223 3.005 0.000) 3.013 3.808 ( -0.826 0.060 0.000) 0.828 3.934 ( 2.682 -0.940 0.000) 2.842 4.112 ( -3.314 0.406 0.000) 3.339 4.168 ( 2.628 2.184 0.000) 3.417 4.283 ( -2.152 1.481 0.000) 2.612 4.326 ( -3.158 2.270 0.000) 3.889 4.392 ( -5.553 0.775 0.000) 5.607 4.481 ( -7.895 -6.094 0.000) 9.973 4.727 ( -6.613 -0.714 0.000) 6.651 4.789 ( 4.913 0.438 0.000) 4.933 4.925 ( -2.174 -0.300 0.000) 2.194 4.939 ( 9.250 1.232 0.000) 9.332 5.146 ( -1.300 -0.581 0.000) 1.424 5.159 ( -3.844 -0.008 0.000) 3.844 5.395 ( 2.825 0.997 0.000) 2.995 5.420 ( 8.877 -3.101 0.000) 9.404 5.554 ( 0.531 -0.451 0.000) 0.697 5.822 ( -4.139 -1.943 0.000) 4.572 5.950 ( -5.269 -3.345 0.000) 6.241 6.163 ( 0.795 0.439 0.000) 0.908 6.193 ( -1.412 1.752 0.000) 2.250 6.223 ( 1.392 2.636 0.000) 2.981 6.352 ( -8.428 -4.781 0.000) 9.690 6.481 ( 0.934 -1.686 0.000) 1.927 6.543 ( -1.822 -0.050 0.000) 1.822 6.661 ( 0.017 1.003 0.000) 1.003 6.833 ( -0.211 2.675 0.000) 2.683 6.892 ( -5.822 0.788 0.000) 5.875 6.903 ( -2.585 -4.822 0.000) 5.471 7.144 ( -1.815 -8.317 0.000) 8.513 7.253 ( -7.645 0.128 0.000) 7.646 7.393 ( -2.822 -4.593 0.000) 5.391 7.463 ( -5.679 -3.761 0.000) 6.812 7.676 ( -1.525 1.985 0.000) 2.503 7.806 ( 4.953 -7.212 0.000) 8.749 8.343 ( 0.758 -0.607 0.000) 0.971 8.508 ( -9.532 1.226 0.000) 9.610 8.540 ( -0.177 3.972 0.000) 3.975 8.608 ( -10.800 3.351 0.000) 11.308 8.667 ( -1.934 -0.157 0.000) 1.940 9.379 ( 16.987 0.688 0.000) 17.001 9.395 ( 6.536 -0.103 0.000) 6.537 9.816 ( 13.919 7.479 0.000) 15.800 10.218 ( -1.487 1.945 0.000) 2.449 10.304 ( -3.749 -7.528 0.000) 8.410 10.397 ( -8.838 -2.026 0.000) 9.068 10.601 ( 4.927 0.032 0.000) 4.927 11.470 ( -10.039 -0.939 0.000) 10.083 11.784 ( -11.933 -7.413 0.000) 14.048 11.816 ( 1.324 3.711 0.000) 3.940 11.949 ( 4.459 0.910 0.000) 4.551 11.993 ( 6.321 -2.335 0.000) 6.739 12.016 ( 0.423 -1.728 0.000) 1.779 12.319 ( 0.378 1.168 0.000) 1.227 12.344 ( 0.635 -0.277 0.000) 0.692 13.170 ( -5.448 7.059 0.000) 8.917 13.398 ( 2.542 8.314 0.000) 8.694 13.976 ( 6.384 0.018 0.000) 6.384 14.011 ( 7.325 0.743 0.000) 7.363 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -10.638 10.654 0.000) 15.055 0.503 ( -11.702 12.146 0.000) 16.866 0.941 ( -15.714 16.024 0.000) 22.443 0.994 ( -2.770 -3.641 0.000) 4.575 1.056 ( -3.228 5.822 0.000) 6.657 1.147 ( -1.049 -0.565 0.000) 1.192 1.177 ( 0.132 3.022 0.000) 3.025 1.243 ( -1.522 4.329 0.000) 4.588 1.350 ( -7.964 -0.101 0.000) 7.965 1.431 ( -3.836 7.857 0.000) 8.744 1.471 ( -2.734 4.228 0.000) 5.035 1.683 ( -1.158 -3.903 0.000) 4.071 1.734 ( -0.085 1.615 0.000) 1.618 1.774 ( -0.630 -0.206 0.000) 0.663 1.849 ( -1.296 -1.684 0.000) 2.125 1.923 ( 2.191 -0.640 0.000) 2.283 1.938 ( -0.454 -0.664 0.000) 0.804 1.965 ( -0.695 0.025 0.000) 0.696 2.008 ( 1.474 -1.272 0.000) 1.948 2.038 ( 1.617 -2.539 0.000) 3.010 2.107 ( 2.949 -0.677 0.000) 3.025 2.129 ( -3.249 5.240 0.000) 6.166 2.205 ( 3.160 -0.007 0.000) 3.160 2.218 ( 0.637 -2.904 0.000) 2.973 2.295 ( 2.747 2.381 0.000) 3.635 2.362 ( 4.998 1.197 0.000) 5.139 2.493 ( -0.970 -3.348 0.000) 3.486 2.629 ( -8.480 -2.678 0.000) 8.893 2.671 ( -3.825 -1.386 0.000) 4.069 2.733 ( 3.199 -5.724 0.000) 6.558 2.766 ( -0.424 -2.570 0.000) 2.605 2.803 ( 2.005 -0.735 0.000) 2.136 2.860 ( 0.073 -1.505 0.000) 1.507 2.901 ( -2.543 -1.579 0.000) 2.993 2.947 ( 0.005 0.233 0.000) 0.233 3.068 ( -4.861 0.338 0.000) 4.872 3.165 ( -3.092 -1.775 0.000) 3.565 3.241 ( -0.470 0.451 0.000) 0.651 3.339 ( 2.412 -4.661 0.000) 5.248 3.420 ( 0.340 -1.026 0.000) 1.081 3.474 ( 3.131 2.239 0.000) 3.849 3.495 ( 0.059 4.717 0.000) 4.717 3.511 ( 2.407 3.705 0.000) 4.418 3.784 ( -1.579 -0.726 0.000) 1.738 3.941 ( -2.130 -1.234 0.000) 2.462 4.104 ( 1.755 -0.306 0.000) 1.782 4.171 ( -0.078 2.437 0.000) 2.438 4.240 ( -0.860 1.802 0.000) 1.997 4.249 ( -2.791 2.572 0.000) 3.796 4.293 ( -4.301 0.374 0.000) 4.317 4.376 ( -10.295 -8.176 0.000) 13.147 4.617 ( -6.302 -1.987 0.000) 6.608 4.875 ( 3.952 -0.623 0.000) 4.001 4.898 ( -0.791 0.490 0.000) 0.931 5.074 ( 2.545 0.923 0.000) 2.707 5.100 ( 1.700 1.788 0.000) 2.467 5.123 ( -1.401 0.034 0.000) 1.402 5.437 ( 2.339 0.605 0.000) 2.416 5.532 ( -2.386 0.163 0.000) 2.391 5.561 ( 3.685 -1.427 0.000) 3.952 5.789 ( -0.941 -1.659 0.000) 1.907 5.906 ( -1.813 -3.767 0.000) 4.180 6.172 ( 0.201 0.431 0.000) 0.476 6.189 ( 1.590 0.521 0.000) 1.673 6.216 ( -6.703 -3.569 0.000) 7.594 6.245 ( -1.359 0.249 0.000) 1.382 6.476 ( -2.425 -0.603 0.000) 2.499 6.523 ( -0.903 -0.527 0.000) 1.045 6.657 ( -0.014 0.166 0.000) 0.167 6.777 ( -2.353 0.380 0.000) 2.383 6.822 ( -4.150 -1.068 0.000) 4.286 6.922 ( 0.369 -4.959 0.000) 4.972 7.115 ( -8.484 -6.437 0.000) 10.649 7.172 ( -3.866 -9.042 0.000) 9.834 7.302 ( -5.394 -0.211 0.000) 5.398 7.481 ( 1.220 -0.318 0.000) 1.260 7.617 ( -1.944 1.815 0.000) 2.660 7.971 ( 6.231 -6.711 0.000) 9.158 8.318 ( -9.309 0.216 0.000) 9.311 8.370 ( 1.079 -1.112 0.000) 1.550 8.426 ( -6.459 1.338 0.000) 6.597 8.519 ( 0.871 3.876 0.000) 3.973 8.662 ( 1.891 2.809 0.000) 3.386 9.545 ( 9.236 -1.955 0.000) 9.441 9.659 ( 13.663 0.330 0.000) 13.667 9.949 ( 6.468 7.482 0.000) 9.890 10.135 ( -9.148 -2.096 0.000) 9.384 10.265 ( -3.587 3.097 0.000) 4.739 10.348 ( 2.690 -8.507 0.000) 8.922 10.709 ( 8.588 2.692 0.000) 9.000 11.286 ( -10.375 -0.941 0.000) 10.418 11.557 ( -23.198 -12.537 0.000) 26.369 11.807 ( 0.793 3.787 0.000) 3.869 11.993 ( 1.522 1.076 0.000) 1.864 12.042 ( 1.052 -0.767 0.000) 1.302 12.107 ( 3.743 -2.855 0.000) 4.707 12.316 ( 0.322 1.278 0.000) 1.318 12.354 ( 0.337 -0.053 0.000) 0.342 13.033 ( -2.733 9.518 0.000) 9.902 13.463 ( 13.895 10.417 0.000) 17.366 14.062 ( 3.290 0.455 0.000) 3.321 14.113 ( 4.514 0.772 0.000) 4.580 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( -0.000 15.092 0.000) 15.092 0.246 ( -0.000 15.328 0.000) 15.328 0.528 ( -0.000 33.224 0.000) 33.224 0.989 ( 0.000 -2.933 0.000) 2.933 1.034 ( -0.000 0.164 0.000) 0.164 1.151 ( 0.000 -1.335 0.000) 1.335 1.198 ( -0.000 2.885 0.000) 2.885 1.209 ( -0.000 1.254 0.000) 1.254 1.241 ( 0.000 -2.223 0.000) 2.223 1.330 ( -0.000 7.900 0.000) 7.900 1.408 ( -0.000 5.385 0.000) 5.385 1.698 ( 0.000 -3.065 0.000) 3.065 1.717 ( -0.000 1.976 0.000) 1.976 1.763 ( -0.000 0.374 0.000) 0.374 1.854 ( 0.000 -2.075 0.000) 2.075 1.936 ( 0.000 -0.597 0.000) 0.597 1.939 ( -0.000 2.100 0.000) 2.100 1.962 ( 0.000 -2.930 0.000) 2.930 2.034 ( 0.000 -1.823 0.000) 1.823 2.062 ( -0.000 4.227 0.000) 4.227 2.073 ( 0.000 -2.296 0.000) 2.296 2.149 ( 0.000 -0.811 0.000) 0.811 2.240 ( -0.000 0.005 0.000) 0.005 2.241 ( 0.000 -2.044 0.000) 2.044 2.303 ( -0.000 2.297 0.000) 2.297 2.436 ( -0.000 0.004 0.000) 0.004 2.466 ( -0.000 1.012 0.000) 1.012 2.547 ( 0.000 -3.984 0.000) 3.984 2.645 ( 0.000 -0.687 0.000) 0.687 2.771 ( 0.000 -0.959 0.000) 0.959 2.789 ( 0.000 -3.133 0.000) 3.133 2.884 ( 0.000 -0.949 0.000) 0.949 2.896 ( 0.000 -3.574 0.000) 3.574 2.924 ( 0.000 -6.884 0.000) 6.884 2.947 ( 0.000 -0.560 0.000) 0.560 2.994 ( -0.000 1.724 0.000) 1.724 3.133 ( 0.000 -0.105 0.000) 0.105 3.237 ( 0.000 -0.528 0.000) 0.528 3.423 ( 0.000 -3.264 0.000) 3.264 3.432 ( 0.000 -0.938 0.000) 0.938 3.449 ( -0.000 7.069 0.000) 7.069 3.488 ( -0.000 1.329 0.000) 1.329 3.533 ( -0.000 1.415 0.000) 1.415 3.775 ( 0.000 -0.996 0.000) 0.996 3.922 ( 0.000 -1.243 0.000) 1.243 4.124 ( 0.000 -0.836 0.000) 0.836 4.147 ( -0.000 2.171 0.000) 2.171 4.178 ( -0.000 2.411 0.000) 2.411 4.222 ( -0.000 1.403 0.000) 1.403 4.250 ( 0.000 -0.058 0.000) 0.058 4.252 ( -0.000 0.256 0.000) 0.256 4.560 ( 0.000 -1.440 0.000) 1.440 4.886 ( -0.000 0.708 0.000) 0.708 4.920 ( 0.000 -0.700 0.000) 0.700 5.052 ( -0.000 0.148 0.000) 0.148 5.107 ( -0.000 0.203 0.000) 0.203 5.142 ( -0.000 2.466 0.000) 2.466 5.458 ( -0.000 0.278 0.000) 0.278 5.500 ( -0.000 0.136 0.000) 0.136 5.589 ( 0.000 -0.212 0.000) 0.212 5.810 ( 0.000 -2.149 0.000) 2.149 5.928 ( 0.000 -3.280 0.000) 3.280 6.097 ( -0.000 0.111 0.000) 0.111 6.171 ( -0.000 0.599 0.000) 0.599 6.206 ( -0.000 0.109 0.000) 0.109 6.243 ( -0.000 1.312 0.000) 1.312 6.444 ( 0.000 -0.326 0.000) 0.326 6.518 ( 0.000 -0.448 0.000) 0.448 6.657 ( 0.000 -0.065 0.000) 0.065 6.749 ( -0.000 0.151 0.000) 0.151 6.760 ( 0.000 -0.261 0.000) 0.261 6.951 ( 0.000 -0.188 0.000) 0.188 7.113 ( 0.000 -13.922 0.000) 13.922 7.142 ( 0.000 -1.428 0.000) 1.428 7.250 ( -0.000 0.111 0.000) 0.111 7.470 ( -0.000 5.172 0.000) 5.172 7.589 ( -0.000 1.330 0.000) 1.330 8.112 ( 0.000 -8.170 0.000) 8.170 8.218 ( 0.000 -0.449 0.000) 0.449 8.360 ( 0.000 -0.400 0.000) 0.400 8.394 ( 0.000 -0.890 0.000) 0.890 8.502 ( -0.000 3.014 0.000) 3.014 8.667 ( -0.000 3.422 0.000) 3.422 9.703 ( 0.000 -4.785 0.000) 4.785 9.814 ( -0.000 0.093 0.000) 0.093 9.964 ( -0.000 0.348 0.000) 0.348 9.998 ( -0.000 0.345 0.000) 0.345 10.217 ( -0.000 3.273 0.000) 3.273 10.487 ( 0.000 -5.483 0.000) 5.483 10.875 ( -0.000 0.966 0.000) 0.966 11.166 ( -0.000 0.009 0.000) 0.009 11.176 ( 0.000 -0.001 0.000) 0.001 11.786 ( -0.000 3.433 0.000) 3.433 11.998 ( -0.000 0.924 0.000) 0.924 12.056 ( 0.000 -0.492 0.000) 0.492 12.165 ( 0.000 -3.422 0.000) 3.422 12.308 ( -0.000 1.591 0.000) 1.591 12.357 ( 0.000 -0.004 0.000) 0.004 12.931 ( -0.000 9.302 0.000) 9.302 13.682 ( 0.000 -2.262 0.000) 2.262 14.088 ( -0.000 0.458 0.000) 0.458 14.151 ( -0.000 0.573 0.000) 0.573 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 3.883 -0.000 0.000) 3.883 1.074 ( -0.462 0.000 0.000) 0.462 1.145 ( 0.498 -0.000 0.000) 0.498 1.145 ( -0.986 0.000 0.000) 0.986 1.183 ( 15.031 -0.000 0.000) 15.031 1.433 ( 8.154 -0.000 0.000) 8.154 1.571 ( 6.667 -0.000 0.000) 6.667 1.615 ( -7.304 0.000 0.000) 7.304 1.641 ( -1.718 0.000 0.000) 1.718 1.641 ( 6.111 -0.000 0.000) 6.111 1.648 ( 1.829 -0.000 0.000) 1.829 1.695 ( -4.797 0.000 0.000) 4.797 1.716 ( 1.377 -0.000 0.000) 1.377 1.772 ( -0.271 0.000 0.000) 0.271 1.819 ( -2.187 0.000 0.000) 2.187 1.878 ( 0.980 -0.000 0.000) 0.980 1.881 ( -1.579 0.000 0.000) 1.579 1.883 ( -2.387 0.000 0.000) 2.387 1.936 ( -6.138 0.000 0.000) 6.138 1.972 ( -1.520 0.000 0.000) 1.520 2.019 ( -4.052 0.000 0.000) 4.052 2.053 ( 3.369 -0.000 0.000) 3.369 2.184 ( 15.849 -0.000 0.000) 15.849 2.209 ( 1.978 -0.000 0.000) 1.978 2.213 ( 1.987 -0.000 0.000) 1.987 2.385 ( 2.264 -0.000 0.000) 2.264 2.440 ( -2.108 0.000 0.000) 2.108 2.573 ( -0.523 0.000 0.000) 0.523 2.669 ( -3.979 0.000 0.000) 3.979 2.740 ( 1.719 -0.000 0.000) 1.719 2.814 ( -0.908 0.000 0.000) 0.908 2.884 ( 1.132 -0.000 0.000) 1.132 3.055 ( 1.940 -0.000 0.000) 1.940 3.070 ( -0.827 0.000 0.000) 0.827 3.182 ( -5.463 0.000 0.000) 5.463 3.262 ( 5.869 -0.000 0.000) 5.869 3.263 ( -3.038 0.000 0.000) 3.038 3.296 ( -6.160 0.000 0.000) 6.160 3.315 ( 2.189 -0.000 0.000) 2.189 3.407 ( -1.547 0.000 0.000) 1.547 3.540 ( 10.478 -0.000 0.000) 10.478 3.601 ( 4.387 -0.000 0.000) 4.387 3.675 ( 12.749 -0.000 0.000) 12.749 3.703 ( -4.900 0.000 0.000) 4.900 3.750 ( -5.679 0.000 0.000) 5.679 3.891 ( -12.245 0.000 0.000) 12.245 4.301 ( 5.748 -0.000 0.000) 5.748 4.360 ( 2.096 -0.000 0.000) 2.096 4.371 ( 0.455 -0.000 0.000) 0.455 4.433 ( -3.799 0.000 0.000) 3.799 4.631 ( -1.995 0.000 0.000) 1.995 4.755 ( 1.522 -0.000 0.000) 1.522 4.778 ( 2.109 -0.000 0.000) 2.109 4.836 ( -0.929 0.000 0.000) 0.929 5.037 ( 2.756 -0.000 0.000) 2.756 5.119 ( -6.789 0.000 0.000) 6.789 5.264 ( 5.474 -0.000 0.000) 5.474 5.287 ( -1.975 0.000 0.000) 1.975 5.300 ( 1.591 -0.000 0.000) 1.591 5.430 ( -7.193 0.000 0.000) 7.193 6.058 ( -3.773 0.000 0.000) 3.773 6.063 ( 5.433 -0.000 0.000) 5.433 6.079 ( -2.304 0.000 0.000) 2.304 6.221 ( 2.561 -0.000 0.000) 2.561 6.253 ( 5.455 -0.000 0.000) 5.455 6.417 ( -3.633 0.000 0.000) 3.633 6.554 ( -3.317 0.000 0.000) 3.317 6.660 ( 5.070 -0.000 0.000) 5.070 6.661 ( -2.424 0.000 0.000) 2.424 6.748 ( 4.090 -0.000 0.000) 4.090 7.010 ( 2.016 -0.000 0.000) 2.016 7.127 ( -4.602 0.000 0.000) 4.602 7.149 ( -8.832 0.000 0.000) 8.832 7.160 ( 4.965 -0.000 0.000) 4.965 7.578 ( -5.117 0.000 0.000) 5.117 7.654 ( -0.166 0.000 0.000) 0.166 7.725 ( -1.708 0.000 0.000) 1.708 7.801 ( 5.429 -0.000 0.000) 5.429 8.477 ( 9.840 -0.000 0.000) 9.840 8.587 ( 4.151 -0.000 0.000) 4.151 8.709 ( -0.244 0.000 0.000) 0.244 8.711 ( -16.458 0.000 0.000) 16.458 8.884 ( 6.331 -0.000 0.000) 6.331 8.957 ( 6.308 -0.000 0.000) 6.308 9.269 ( 2.627 -0.000 0.000) 2.627 9.311 ( -5.661 0.000 0.000) 5.661 10.227 ( 3.119 -0.000 0.000) 3.119 10.331 ( -2.126 0.000 0.000) 2.126 10.633 ( -2.200 0.000 0.000) 2.200 10.667 ( -0.776 0.000 0.000) 0.776 11.681 ( 0.378 -0.000 0.000) 0.378 11.704 ( 2.743 -0.000 0.000) 2.743 11.801 ( -4.212 0.000 0.000) 4.212 11.872 ( -0.001 0.000 0.000) 0.001 11.996 ( -3.666 0.000 0.000) 3.666 11.998 ( -1.836 0.000 0.000) 1.836 12.292 ( 0.391 -0.000 0.000) 0.391 12.342 ( -0.220 0.000 0.000) 0.220 13.416 ( 12.289 -0.000 0.000) 12.289 13.463 ( 11.687 -0.000 0.000) 11.687 13.704 ( -8.759 0.000 0.000) 8.759 13.735 ( -6.784 0.000 0.000) 6.784 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.570 -0.470 0.000) 0.739 1.052 ( -1.339 1.379 0.000) 1.922 1.111 ( -3.211 -0.893 0.000) 3.333 1.159 ( 0.890 -0.001 0.000) 0.890 1.422 ( 8.737 0.061 0.000) 8.737 1.436 ( -6.203 3.051 0.000) 6.913 1.456 ( -8.288 -0.401 0.000) 8.297 1.602 ( -3.769 -1.021 0.000) 3.905 1.620 ( -2.086 0.141 0.000) 2.091 1.628 ( 2.997 -0.984 0.000) 3.155 1.706 ( 0.539 -1.196 0.000) 1.312 1.719 ( -1.018 1.231 0.000) 1.598 1.762 ( 3.064 -1.232 0.000) 3.302 1.763 ( 3.006 0.812 0.000) 3.113 1.814 ( -4.780 0.305 0.000) 4.790 1.845 ( -1.293 1.951 0.000) 2.341 1.862 ( 3.421 2.086 0.000) 4.006 1.880 ( 4.667 -0.320 0.000) 4.678 1.914 ( 1.428 -1.050 0.000) 1.773 1.951 ( 1.075 1.788 0.000) 2.086 1.978 ( -0.749 -2.393 0.000) 2.508 2.116 ( 2.260 -1.346 0.000) 2.631 2.225 ( -0.514 0.133 0.000) 0.531 2.252 ( 1.989 1.557 0.000) 2.526 2.393 ( -0.228 0.513 0.000) 0.562 2.413 ( 0.132 -0.501 0.000) 0.518 2.426 ( 8.038 -0.489 0.000) 8.053 2.558 ( -1.757 1.803 0.000) 2.518 2.611 ( -3.368 -1.972 0.000) 3.903 2.754 ( -0.161 0.199 0.000) 0.256 2.808 ( 0.342 -0.588 0.000) 0.680 2.914 ( 2.679 0.861 0.000) 2.815 3.028 ( -3.239 -0.445 0.000) 3.269 3.053 ( -4.174 -0.475 0.000) 4.201 3.103 ( -1.138 -0.359 0.000) 1.194 3.155 ( -10.169 -2.075 0.000) 10.378 3.202 ( -3.177 0.828 0.000) 3.283 3.341 ( 2.815 -0.037 0.000) 2.815 3.361 ( 2.836 -0.095 0.000) 2.838 3.370 ( -2.112 0.695 0.000) 2.223 3.540 ( -7.774 -0.053 0.000) 7.774 3.627 ( -3.416 -0.139 0.000) 3.419 3.645 ( -13.627 0.151 0.000) 13.627 3.733 ( 6.292 0.768 0.000) 6.339 3.742 ( 5.724 -0.155 0.000) 5.726 3.917 ( 13.127 0.129 0.000) 13.128 4.336 ( -6.018 0.815 0.000) 6.073 4.362 ( -1.157 0.062 0.000) 1.159 4.387 ( 0.600 -0.292 0.000) 0.667 4.405 ( 5.531 -0.079 0.000) 5.532 4.600 ( -2.509 -1.004 0.000) 2.702 4.772 ( 0.659 1.069 0.000) 1.256 4.795 ( -2.439 0.154 0.000) 2.444 4.827 ( 2.212 0.011 0.000) 2.212 5.015 ( -4.675 -0.204 0.000) 4.679 5.096 ( 4.200 -0.216 0.000) 4.206 5.253 ( -2.064 -0.361 0.000) 2.096 5.287 ( -7.893 0.251 0.000) 7.897 5.332 ( 1.958 0.219 0.000) 1.970 5.376 ( 6.309 -0.469 0.000) 6.326 5.973 ( -5.590 -0.341 0.000) 5.601 6.036 ( -2.455 -0.026 0.000) 2.455 6.138 ( 2.135 -0.703 0.000) 2.248 6.268 ( 2.873 1.208 0.000) 3.117 6.325 ( 2.192 -0.841 0.000) 2.348 6.349 ( -3.512 0.610 0.000) 3.565 6.494 ( -3.857 -1.146 0.000) 4.023 6.623 ( -1.855 -0.074 0.000) 1.856 6.758 ( 5.543 0.228 0.000) 5.547 6.771 ( -0.363 2.682 0.000) 2.706 6.993 ( -5.466 1.186 0.000) 5.593 7.036 ( -4.270 0.734 0.000) 4.333 7.072 ( 0.942 -5.663 0.000) 5.741 7.260 ( 3.401 -1.887 0.000) 3.890 7.445 ( -7.366 -0.380 0.000) 7.376 7.618 ( -4.322 1.266 0.000) 4.503 7.671 ( -4.806 -0.756 0.000) 4.865 7.854 ( 1.024 1.317 0.000) 1.669 8.455 ( -10.659 0.021 0.000) 10.659 8.633 ( 1.844 0.621 0.000) 1.946 8.667 ( 7.392 -1.972 0.000) 7.651 8.683 ( -2.258 0.643 0.000) 2.348 8.966 ( 4.436 0.609 0.000) 4.478 8.996 ( -2.248 0.671 0.000) 2.346 9.261 ( -0.188 -0.612 0.000) 0.640 9.391 ( 10.657 -0.239 0.000) 10.659 10.308 ( 5.899 1.056 0.000) 5.993 10.315 ( 0.675 1.710 0.000) 1.838 10.545 ( -6.884 -0.459 0.000) 6.899 10.611 ( -4.928 0.615 0.000) 4.966 11.718 ( 0.567 -0.737 0.000) 0.930 11.722 ( -2.229 -0.610 0.000) 2.311 11.760 ( 3.766 -0.491 0.000) 3.798 11.875 ( 0.947 2.487 0.000) 2.661 11.954 ( -3.353 -0.367 0.000) 3.373 11.955 ( -1.465 -2.009 0.000) 2.486 12.303 ( 0.771 -0.213 0.000) 0.800 12.338 ( -0.072 0.341 0.000) 0.348 13.544 ( -8.624 0.747 0.000) 8.656 13.619 ( -5.653 0.954 0.000) 5.733 13.635 ( 11.292 -0.823 0.000) 11.322 13.673 ( 11.216 -0.411 0.000) 11.224 ======================= Grid point 22 (16/75) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -1.078 -0.536 0.000) 1.204 1.003 ( -2.834 3.162 0.000) 4.246 1.036 ( -5.725 -1.233 0.000) 5.856 1.164 ( -0.427 2.154 0.000) 2.196 1.273 ( -6.727 6.031 0.000) 9.034 1.283 ( -8.388 -0.781 0.000) 8.424 1.478 ( -1.422 3.840 0.000) 4.095 1.517 ( -6.560 -6.099 0.000) 8.957 1.636 ( -2.640 3.142 0.000) 4.104 1.688 ( 5.696 -0.995 0.000) 5.782 1.709 ( -0.434 -0.338 0.000) 0.550 1.713 ( -0.696 -3.187 0.000) 3.262 1.742 ( -2.659 2.002 0.000) 3.328 1.757 ( 0.045 -0.535 0.000) 0.537 1.760 ( -1.501 -2.476 0.000) 2.895 1.852 ( 2.135 2.401 0.000) 3.213 1.947 ( 5.369 3.609 0.000) 6.469 1.956 ( 2.292 -1.375 0.000) 2.673 1.968 ( 3.691 0.993 0.000) 3.822 2.003 ( 6.103 1.281 0.000) 6.236 2.017 ( 1.571 -3.544 0.000) 3.876 2.155 ( 1.406 -1.112 0.000) 1.792 2.187 ( -3.129 0.521 0.000) 3.173 2.201 ( -4.643 8.766 0.000) 9.920 2.397 ( 1.485 1.652 0.000) 2.221 2.405 ( -1.607 -1.109 0.000) 1.953 2.449 ( -5.335 2.456 0.000) 5.873 2.507 ( 1.821 1.875 0.000) 2.614 2.615 ( 0.449 -4.228 0.000) 4.252 2.738 ( -1.362 -0.426 0.000) 1.427 2.835 ( 1.145 -0.920 0.000) 1.468 2.949 ( 0.873 1.510 0.000) 1.744 2.951 ( -9.211 -3.210 0.000) 9.755 2.980 ( -2.738 -1.009 0.000) 2.918 2.984 ( -9.980 -3.894 0.000) 10.713 3.098 ( -1.160 -2.285 0.000) 2.563 3.154 ( -1.433 -0.683 0.000) 1.588 3.325 ( -2.140 0.973 0.000) 2.351 3.372 ( 1.261 -0.253 0.000) 1.286 3.390 ( -7.011 0.490 0.000) 7.028 3.423 ( 2.108 -0.584 0.000) 2.187 3.448 ( -6.654 -0.085 0.000) 6.654 3.574 ( -1.419 0.542 0.000) 1.519 3.811 ( 2.338 0.763 0.000) 2.459 3.845 ( 5.232 -0.222 0.000) 5.237 4.114 ( 8.516 0.969 0.000) 8.571 4.217 ( -6.219 0.673 0.000) 6.256 4.336 ( -1.426 0.342 0.000) 1.466 4.384 ( -1.210 -0.230 0.000) 1.231 4.467 ( -0.149 0.108 0.000) 0.184 4.539 ( -5.298 -0.822 0.000) 5.361 4.763 ( 1.399 2.059 0.000) 2.490 4.809 ( 4.376 -0.409 0.000) 4.395 4.821 ( -3.330 0.270 0.000) 3.341 4.955 ( -2.799 -0.876 0.000) 2.933 5.170 ( -4.225 -0.361 0.000) 4.241 5.203 ( 6.070 -0.723 0.000) 6.113 5.215 ( -1.698 -1.257 0.000) 2.113 5.369 ( 2.545 0.696 0.000) 2.639 5.484 ( 4.788 -0.811 0.000) 4.856 5.872 ( -6.021 -1.345 0.000) 6.169 5.982 ( -4.353 -1.271 0.000) 4.535 6.158 ( 0.197 -0.211 0.000) 0.288 6.282 ( -3.208 1.190 0.000) 3.421 6.284 ( 0.676 3.299 0.000) 3.367 6.364 ( 0.140 -2.431 0.000) 2.435 6.432 ( -3.727 -2.046 0.000) 4.251 6.588 ( -2.303 -0.080 0.000) 2.304 6.719 ( -2.031 2.775 0.000) 3.439 6.843 ( 4.064 1.167 0.000) 4.228 6.902 ( -4.591 -1.228 0.000) 4.752 6.973 ( -3.095 -1.512 0.000) 3.445 7.167 ( 3.819 -6.526 0.000) 7.561 7.176 ( -9.934 0.995 0.000) 9.984 7.469 ( -10.685 0.994 0.000) 10.731 7.482 ( 6.307 -5.707 0.000) 8.506 7.564 ( -7.647 -1.083 0.000) 7.723 7.820 ( -3.182 1.838 0.000) 3.674 8.339 ( -3.026 -0.809 0.000) 3.133 8.634 ( -1.522 2.292 0.000) 2.752 8.637 ( -0.572 1.155 0.000) 1.289 8.697 ( -5.827 -3.239 0.000) 6.667 8.875 ( -9.370 1.995 0.000) 9.580 9.124 ( 14.499 2.167 0.000) 14.660 9.300 ( 3.663 -0.393 0.000) 3.684 9.629 ( 15.113 0.632 0.000) 15.127 10.310 ( 0.643 3.882 0.000) 3.935 10.344 ( -3.906 2.971 0.000) 4.908 10.484 ( 2.430 -3.434 0.000) 4.206 10.495 ( -7.730 -1.250 0.000) 7.831 11.614 ( -7.224 -0.213 0.000) 7.228 11.803 ( 1.849 -2.640 0.000) 3.223 11.847 ( 4.313 -0.073 0.000) 4.314 11.875 ( 2.685 2.700 0.000) 3.808 11.887 ( -2.466 -0.475 0.000) 2.511 11.963 ( -0.196 -2.736 0.000) 2.743 12.322 ( 0.999 -0.247 0.000) 1.029 12.335 ( 0.149 0.590 0.000) 0.608 13.390 ( -6.882 2.385 0.000) 7.284 13.523 ( -3.313 2.281 0.000) 4.022 13.827 ( 9.380 -0.524 0.000) 9.394 13.865 ( 9.840 0.008 0.000) 9.840 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -9.219 5.596 0.000) 10.785 0.928 ( -5.237 5.844 0.000) 7.847 0.980 ( -2.317 -0.974 0.000) 2.513 1.053 ( -4.997 3.924 0.000) 6.353 1.177 ( -4.335 -1.204 0.000) 4.499 1.187 ( -1.391 1.161 0.000) 1.811 1.404 ( -1.939 6.050 0.000) 6.353 1.454 ( -7.335 -6.715 0.000) 9.944 1.551 ( -1.977 3.776 0.000) 4.262 1.648 ( -3.377 3.851 0.000) 5.122 1.671 ( -3.260 2.085 0.000) 3.869 1.716 ( -1.121 -3.987 0.000) 4.142 1.743 ( -4.716 1.677 0.000) 5.005 1.755 ( 1.131 0.826 0.000) 1.400 1.843 ( 3.991 -3.242 0.000) 5.142 1.872 ( 2.084 1.797 0.000) 2.752 1.920 ( -6.887 9.464 0.000) 11.705 1.989 ( 2.122 3.159 0.000) 3.805 1.996 ( 1.583 0.571 0.000) 1.683 2.001 ( 1.638 3.590 0.000) 3.946 2.063 ( -0.569 -3.566 0.000) 3.611 2.134 ( 4.993 1.704 0.000) 5.275 2.138 ( -0.790 -0.848 0.000) 1.159 2.221 ( 3.649 -3.264 0.000) 4.896 2.335 ( -4.523 4.085 0.000) 6.095 2.367 ( -0.382 2.367 0.000) 2.397 2.441 ( 1.786 -0.233 0.000) 1.801 2.540 ( 2.251 -3.258 0.000) 3.960 2.659 ( 0.632 -2.744 0.000) 2.815 2.722 ( -1.104 -1.732 0.000) 2.054 2.760 ( -10.398 -1.760 0.000) 10.546 2.805 ( -8.699 -5.056 0.000) 10.061 2.912 ( -3.629 1.258 0.000) 3.840 2.925 ( -3.722 -1.283 0.000) 3.937 2.930 ( 1.245 -0.758 0.000) 1.457 3.103 ( -1.542 -4.638 0.000) 4.888 3.152 ( -1.004 -2.205 0.000) 2.423 3.257 ( -6.443 -1.141 0.000) 6.544 3.283 ( -1.389 1.252 0.000) 1.870 3.391 ( -1.116 -1.423 0.000) 1.809 3.423 ( 4.451 0.149 0.000) 4.454 3.492 ( 4.276 0.605 0.000) 4.319 3.562 ( 0.651 1.731 0.000) 1.849 3.812 ( -1.215 0.436 0.000) 1.291 3.921 ( 2.167 -0.689 0.000) 2.274 4.118 ( -3.556 0.395 0.000) 3.578 4.203 ( 3.114 2.162 0.000) 3.791 4.305 ( -1.351 1.263 0.000) 1.850 4.347 ( -2.715 0.175 0.000) 2.720 4.401 ( -5.658 0.293 0.000) 5.666 4.426 ( -7.661 -0.904 0.000) 7.714 4.715 ( -7.755 -0.809 0.000) 7.797 4.798 ( 3.459 0.622 0.000) 3.514 4.920 ( -1.423 -0.265 0.000) 1.448 4.956 ( 10.541 0.887 0.000) 10.579 5.136 ( -0.909 -0.598 0.000) 1.088 5.157 ( -3.634 -0.306 0.000) 3.646 5.372 ( 8.866 -2.880 0.000) 9.322 5.412 ( 2.857 1.095 0.000) 3.059 5.547 ( 1.330 -0.415 0.000) 1.393 5.788 ( -4.540 -2.222 0.000) 5.055 5.901 ( -5.883 -2.652 0.000) 6.453 6.164 ( 0.428 -0.257 0.000) 0.500 6.220 ( -2.089 1.538 0.000) 2.594 6.260 ( -1.387 1.479 0.000) 2.027 6.304 ( -5.392 -0.694 0.000) 5.436 6.447 ( 1.090 -2.709 0.000) 2.920 6.544 ( -2.241 0.106 0.000) 2.244 6.676 ( -1.192 0.847 0.000) 1.462 6.843 ( -3.532 -2.785 0.000) 4.498 6.865 ( -0.916 1.445 0.000) 1.711 6.903 ( -6.785 0.455 0.000) 6.801 7.050 ( -2.639 -3.996 0.000) 4.789 7.251 ( -12.545 -0.689 0.000) 12.564 7.299 ( 4.793 -6.239 0.000) 7.868 7.427 ( -7.880 -1.142 0.000) 7.963 7.659 ( 7.166 -5.860 0.000) 9.257 7.733 ( -4.353 0.476 0.000) 4.379 8.330 ( 0.577 -0.893 0.000) 1.063 8.511 ( -11.372 -0.753 0.000) 11.397 8.600 ( 0.163 3.577 0.000) 3.580 8.660 ( -11.359 2.934 0.000) 11.732 8.670 ( 1.349 0.441 0.000) 1.419 9.389 ( 5.761 -0.478 0.000) 5.780 9.401 ( 16.785 1.850 0.000) 16.886 9.899 ( 15.509 2.904 0.000) 15.779 10.219 ( -7.714 -3.017 0.000) 8.283 10.255 ( -4.635 2.657 0.000) 5.342 10.377 ( -5.295 -0.750 0.000) 5.348 10.600 ( 7.366 -0.089 0.000) 7.367 11.459 ( -10.155 -0.500 0.000) 10.167 11.700 ( -12.453 -3.625 0.000) 12.970 11.862 ( 0.904 2.326 0.000) 2.496 11.961 ( 3.774 -0.107 0.000) 3.776 11.970 ( 6.685 -0.817 0.000) 6.734 11.988 ( 2.243 -1.195 0.000) 2.542 12.334 ( 0.276 0.750 0.000) 0.799 12.341 ( 0.905 -0.114 0.000) 0.913 13.266 ( -3.753 4.920 0.000) 6.189 13.479 ( 1.137 2.873 0.000) 3.090 13.976 ( 6.891 0.018 0.000) 6.891 14.021 ( 7.584 0.552 0.000) 7.604 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -7.751 9.117 0.000) 11.967 0.694 ( -10.133 12.502 0.000) 16.093 0.954 ( -1.526 -1.265 0.000) 1.982 0.997 ( -1.909 -0.514 0.000) 1.977 1.136 ( -1.376 -0.914 0.000) 1.652 1.159 ( -0.296 1.908 0.000) 1.931 1.324 ( -1.613 6.092 0.000) 6.302 1.332 ( -8.503 -0.319 0.000) 8.509 1.426 ( -8.131 21.645 0.000) 23.122 1.532 ( 0.204 3.466 0.000) 3.472 1.550 ( -2.498 7.044 0.000) 7.474 1.637 ( -2.624 -0.850 0.000) 2.758 1.739 ( -0.245 -4.240 0.000) 4.247 1.765 ( 1.403 2.042 0.000) 2.478 1.846 ( -1.926 1.217 0.000) 2.278 1.873 ( -0.830 -4.369 0.000) 4.447 1.923 ( 0.985 -1.106 0.000) 1.481 1.989 ( 0.580 1.771 0.000) 1.864 2.003 ( -0.253 -1.626 0.000) 1.645 2.010 ( 1.357 2.190 0.000) 2.576 2.090 ( 2.323 -1.598 0.000) 2.819 2.165 ( 0.344 -3.671 0.000) 3.687 2.201 ( 2.751 -0.374 0.000) 2.777 2.221 ( -2.865 6.181 0.000) 6.812 2.310 ( 3.319 -1.337 0.000) 3.578 2.373 ( 2.557 0.475 0.000) 2.601 2.464 ( 0.014 -0.618 0.000) 0.618 2.592 ( -8.863 -1.847 0.000) 9.054 2.627 ( 2.325 -7.082 0.000) 7.454 2.642 ( -3.547 -2.187 0.000) 4.167 2.729 ( 0.259 -2.291 0.000) 2.305 2.778 ( 2.187 -2.336 0.000) 3.200 2.834 ( -4.131 -1.513 0.000) 4.399 2.875 ( -2.894 -1.792 0.000) 3.404 2.947 ( -0.112 -0.022 0.000) 0.114 3.078 ( -3.150 0.628 0.000) 3.212 3.142 ( -1.307 -1.089 0.000) 1.701 3.228 ( -0.712 -8.716 0.000) 8.745 3.257 ( -0.507 1.258 0.000) 1.356 3.397 ( -0.006 -1.763 0.000) 1.763 3.496 ( 2.985 1.075 0.000) 3.173 3.557 ( 3.688 1.997 0.000) 4.194 3.567 ( 2.366 3.841 0.000) 4.511 3.777 ( -2.104 -0.170 0.000) 2.111 3.921 ( -2.248 -1.201 0.000) 2.548 4.100 ( 1.002 -0.118 0.000) 1.009 4.210 ( 0.175 2.530 0.000) 2.536 4.272 ( -0.741 2.156 0.000) 2.280 4.291 ( -4.160 2.369 0.000) 4.787 4.297 ( -5.471 -2.486 0.000) 6.009 4.299 ( -4.489 0.418 0.000) 4.508 4.587 ( -6.739 -1.781 0.000) 6.970 4.864 ( 3.253 -0.758 0.000) 3.340 4.906 ( -0.186 0.511 0.000) 0.544 5.083 ( -1.506 0.415 0.000) 1.562 5.123 ( -0.933 -0.012 0.000) 0.933 5.136 ( 7.220 2.494 0.000) 7.639 5.451 ( 2.215 1.092 0.000) 2.470 5.533 ( 5.296 -2.032 0.000) 5.672 5.536 ( -1.893 0.224 0.000) 1.907 5.752 ( -1.659 -2.905 0.000) 3.345 5.837 ( -3.530 -4.778 0.000) 5.940 6.171 ( -6.767 -1.761 0.000) 6.992 6.172 ( 0.013 -0.336 0.000) 0.336 6.199 ( 0.741 0.695 0.000) 1.016 6.272 ( 0.994 2.216 0.000) 2.429 6.460 ( -1.743 -1.379 0.000) 2.222 6.514 ( -1.219 -0.525 0.000) 1.327 6.659 ( -0.440 0.074 0.000) 0.446 6.781 ( -4.059 0.167 0.000) 4.063 6.810 ( -4.693 -0.446 0.000) 4.714 6.831 ( -0.778 -5.598 0.000) 5.652 7.054 ( -9.960 -2.127 0.000) 10.185 7.079 ( 0.592 -4.090 0.000) 4.133 7.301 ( -4.950 -0.011 0.000) 4.950 7.434 ( 3.537 -5.023 0.000) 6.143 7.646 ( -2.453 1.720 0.000) 2.995 7.846 ( 5.843 -7.864 0.000) 9.797 8.312 ( -10.174 -0.766 0.000) 10.203 8.353 ( 0.563 -1.107 0.000) 1.242 8.457 ( -7.468 2.429 0.000) 7.853 8.584 ( 0.961 4.287 0.000) 4.394 8.700 ( 2.588 1.816 0.000) 3.162 9.513 ( 6.776 -1.941 0.000) 7.048 9.668 ( 13.228 0.857 0.000) 13.256 10.031 ( -1.167 3.410 0.000) 3.604 10.114 ( -9.021 -0.705 0.000) 9.049 10.231 ( 7.798 -6.058 0.000) 9.875 10.315 ( -1.179 3.199 0.000) 3.409 10.746 ( 10.210 2.184 0.000) 10.441 11.274 ( -9.886 -0.581 0.000) 9.903 11.444 ( -18.963 -3.784 0.000) 19.337 11.857 ( 0.556 2.580 0.000) 2.640 11.990 ( 0.148 -1.686 0.000) 1.693 12.051 ( 3.256 1.928 0.000) 3.784 12.079 ( 4.073 -0.924 0.000) 4.176 12.333 ( 0.254 0.853 0.000) 0.890 12.354 ( 0.503 0.062 0.000) 0.507 13.173 ( -1.297 7.960 0.000) 8.065 13.533 ( 6.169 0.681 0.000) 6.207 14.070 ( 3.596 0.515 0.000) 3.633 14.126 ( 4.429 0.729 0.000) 4.488 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -0.000 12.606 0.000) 12.606 0.465 ( -0.000 14.696 0.000) 14.696 0.944 ( -0.000 11.264 0.000) 11.264 0.950 ( 0.000 -1.791 0.000) 1.791 1.096 ( -0.000 13.733 0.000) 13.733 1.134 ( 0.000 -1.055 0.000) 1.055 1.230 ( -0.000 0.868 0.000) 0.868 1.238 ( -0.000 5.175 0.000) 5.175 1.262 ( -0.000 5.310 0.000) 5.310 1.463 ( -0.000 8.639 0.000) 8.639 1.496 ( -0.000 5.760 0.000) 5.760 1.638 ( 0.000 -4.101 0.000) 4.101 1.761 ( 0.000 -1.606 0.000) 1.606 1.762 ( -0.000 3.785 0.000) 3.785 1.817 ( 0.000 -1.817 0.000) 1.817 1.899 ( 0.000 -5.070 0.000) 5.070 1.929 ( 0.000 -0.360 0.000) 0.360 1.979 ( -0.000 2.702 0.000) 2.702 2.015 ( 0.000 -0.072 0.000) 0.072 2.026 ( 0.000 -3.222 0.000) 3.222 2.132 ( 0.000 -1.346 0.000) 1.346 2.146 ( -0.000 6.094 0.000) 6.094 2.196 ( 0.000 -3.636 0.000) 3.636 2.233 ( 0.000 -0.836 0.000) 0.836 2.339 ( -0.000 1.608 0.000) 1.608 2.440 ( -0.000 0.399 0.000) 0.399 2.470 ( 0.000 -5.495 0.000) 5.495 2.481 ( -0.000 0.937 0.000) 0.937 2.626 ( 0.000 -1.675 0.000) 1.675 2.707 ( 0.000 -7.325 0.000) 7.325 2.754 ( 0.000 -1.052 0.000) 1.052 2.820 ( 0.000 -5.650 0.000) 5.650 2.842 ( 0.000 -2.974 0.000) 2.974 2.862 ( 0.000 -1.950 0.000) 1.950 2.941 ( 0.000 -0.153 0.000) 0.153 3.025 ( -0.000 2.087 0.000) 2.087 3.131 ( 0.000 -0.106 0.000) 0.106 3.243 ( -0.000 1.062 0.000) 1.062 3.311 ( 0.000 -10.179 0.000) 10.179 3.411 ( 0.000 -1.697 0.000) 1.697 3.507 ( -0.000 1.569 0.000) 1.569 3.560 ( -0.000 6.157 0.000) 6.157 3.577 ( -0.000 3.078 0.000) 3.078 3.759 ( 0.000 -0.987 0.000) 0.987 3.901 ( 0.000 -1.288 0.000) 1.288 4.115 ( 0.000 -0.382 0.000) 0.382 4.188 ( -0.000 2.806 0.000) 2.806 4.210 ( -0.000 1.422 0.000) 1.422 4.249 ( 0.000 -0.067 0.000) 0.067 4.253 ( -0.000 2.440 0.000) 2.440 4.262 ( -0.000 1.240 0.000) 1.240 4.532 ( 0.000 -1.910 0.000) 1.910 4.900 ( -0.000 0.915 0.000) 0.915 4.905 ( 0.000 -1.142 0.000) 1.142 5.055 ( -0.000 0.220 0.000) 0.220 5.111 ( -0.000 0.318 0.000) 0.318 5.193 ( -0.000 3.890 0.000) 3.890 5.465 ( -0.000 0.760 0.000) 0.760 5.503 ( -0.000 0.247 0.000) 0.247 5.584 ( 0.000 -0.363 0.000) 0.363 5.766 ( 0.000 -3.384 0.000) 3.384 5.856 ( 0.000 -5.906 0.000) 5.906 6.099 ( -0.000 0.174 0.000) 0.174 6.175 ( 0.000 -0.135 0.000) 0.135 6.208 ( -0.000 0.171 0.000) 0.171 6.269 ( -0.000 1.945 0.000) 1.945 6.438 ( 0.000 -0.508 0.000) 0.508 6.508 ( 0.000 -0.736 0.000) 0.736 6.656 ( 0.000 -0.102 0.000) 0.102 6.752 ( -0.000 0.230 0.000) 0.230 6.753 ( 0.000 -0.606 0.000) 0.606 6.913 ( 0.000 -11.170 0.000) 11.170 6.947 ( 0.000 -0.287 0.000) 0.287 7.110 ( 0.000 -2.648 0.000) 2.648 7.252 ( -0.000 0.168 0.000) 0.168 7.495 ( 0.000 -1.810 0.000) 1.810 7.613 ( -0.000 1.540 0.000) 1.540 7.974 ( 0.000 -8.633 0.000) 8.633 8.209 ( 0.000 -0.686 0.000) 0.686 8.352 ( 0.000 -0.613 0.000) 0.613 8.389 ( -0.000 0.439 0.000) 0.439 8.561 ( -0.000 4.342 0.000) 4.342 8.714 ( -0.000 2.326 0.000) 2.326 9.625 ( 0.000 -4.742 0.000) 4.742 9.814 ( 0.000 -0.178 0.000) 0.178 9.971 ( -0.000 0.530 0.000) 0.530 10.005 ( -0.000 0.526 0.000) 0.526 10.276 ( -0.000 4.076 0.000) 4.076 10.390 ( 0.000 -6.146 0.000) 6.146 10.901 ( -0.000 2.324 0.000) 2.324 11.166 ( -0.000 0.014 0.000) 0.014 11.176 ( 0.000 -0.000 0.000) 0.000 11.840 ( -0.000 3.119 0.000) 3.119 12.002 ( 0.000 -1.014 0.000) 1.014 12.064 ( -0.000 1.972 0.000) 1.972 12.125 ( 0.000 -1.600 0.000) 1.600 12.328 ( -0.000 1.016 0.000) 1.016 12.358 ( -0.000 0.103 0.000) 0.103 13.090 ( -0.000 10.110 0.000) 10.110 13.634 ( 0.000 -3.728 0.000) 3.728 14.097 ( -0.000 0.702 0.000) 0.702 14.162 ( -0.000 0.727 0.000) 0.727 ======================= Grid point 30 (20/75) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.779 0.000 0.000) 0.779 1.026 ( -5.894 0.000 0.000) 5.894 1.030 ( -1.739 0.000 0.000) 1.739 1.179 ( 1.137 -0.000 0.000) 1.137 1.276 ( -8.764 0.000 0.000) 8.764 1.347 ( -5.246 0.000 0.000) 5.246 1.446 ( -9.814 0.000 0.000) 9.814 1.513 ( 0.081 -0.000 0.000) 0.081 1.681 ( 7.594 -0.000 0.000) 7.594 1.682 ( 0.603 -0.000 0.000) 0.603 1.682 ( -3.119 0.000 0.000) 3.119 1.686 ( -1.998 0.000 0.000) 1.998 1.739 ( -2.763 0.000 0.000) 2.763 1.750 ( -0.939 0.000 0.000) 0.939 1.763 ( -2.293 0.000 0.000) 2.293 1.900 ( 4.271 -0.000 0.000) 4.271 1.910 ( -0.052 0.000 0.000) 0.052 1.971 ( 4.288 -0.000 0.000) 4.288 1.976 ( 5.307 -0.000 0.000) 5.307 1.996 ( 2.319 -0.000 0.000) 2.319 2.025 ( 6.217 -0.000 0.000) 6.217 2.137 ( 0.223 -0.000 0.000) 0.223 2.189 ( -3.254 0.000 0.000) 3.254 2.290 ( 1.272 -0.000 0.000) 1.272 2.394 ( -0.849 0.000 0.000) 0.849 2.398 ( 0.667 -0.000 0.000) 0.667 2.487 ( -6.392 0.000 0.000) 6.392 2.525 ( 1.640 -0.000 0.000) 1.640 2.562 ( -1.199 0.000 0.000) 1.199 2.735 ( -1.748 0.000 0.000) 1.748 2.826 ( 1.073 -0.000 0.000) 1.073 2.931 ( -8.670 0.000 0.000) 8.670 2.942 ( -10.484 0.000 0.000) 10.484 2.961 ( 1.169 -0.000 0.000) 1.169 2.970 ( -2.875 0.000 0.000) 2.875 3.082 ( -1.952 0.000 0.000) 1.952 3.150 ( -2.547 0.000 0.000) 2.547 3.333 ( -2.131 0.000 0.000) 2.131 3.369 ( 1.222 -0.000 0.000) 1.222 3.396 ( -8.144 0.000 0.000) 8.144 3.414 ( 1.362 -0.000 0.000) 1.362 3.451 ( -5.023 0.000 0.000) 5.023 3.578 ( -1.149 0.000 0.000) 1.149 3.817 ( 2.124 -0.000 0.000) 2.124 3.844 ( 5.174 -0.000 0.000) 5.174 4.122 ( 8.935 -0.000 0.000) 8.935 4.222 ( -6.481 0.000 0.000) 6.481 4.338 ( -1.221 0.000 0.000) 1.221 4.381 ( -1.238 0.000 0.000) 1.238 4.468 ( -0.169 0.000 0.000) 0.169 4.534 ( -4.690 0.000 0.000) 4.690 4.784 ( 0.542 -0.000 0.000) 0.542 4.801 ( 4.955 -0.000 0.000) 4.955 4.824 ( -3.508 0.000 0.000) 3.508 4.947 ( -2.686 0.000 0.000) 2.686 5.167 ( -4.476 0.000 0.000) 4.476 5.193 ( 6.377 -0.000 0.000) 6.377 5.209 ( -2.362 0.000 0.000) 2.362 5.375 ( 2.651 -0.000 0.000) 2.651 5.477 ( 4.888 -0.000 0.000) 4.888 5.861 ( -6.294 0.000 0.000) 6.294 5.972 ( -4.576 0.000 0.000) 4.576 6.156 ( 0.262 -0.000 0.000) 0.262 6.291 ( -3.179 0.000 0.000) 3.179 6.325 ( -1.566 0.000 0.000) 1.566 6.332 ( 3.262 -0.000 0.000) 3.262 6.413 ( -4.599 0.000 0.000) 4.599 6.587 ( -2.101 0.000 0.000) 2.101 6.744 ( -3.349 0.000 0.000) 3.349 6.853 ( 4.567 -0.000 0.000) 4.567 6.892 ( -4.873 0.000 0.000) 4.873 6.959 ( -3.952 0.000 0.000) 3.952 7.110 ( 4.545 -0.000 0.000) 4.545 7.185 ( -10.642 0.000 0.000) 10.642 7.435 ( 6.494 -0.000 0.000) 6.494 7.478 ( -11.304 0.000 0.000) 11.304 7.556 ( -7.444 0.000 0.000) 7.444 7.835 ( -3.480 0.000 0.000) 3.480 8.332 ( -3.038 0.000 0.000) 3.038 8.648 ( 0.771 -0.000 0.000) 0.771 8.653 ( -1.235 0.000 0.000) 1.235 8.667 ( -6.412 0.000 0.000) 6.412 8.890 ( -9.228 0.000 0.000) 9.228 9.143 ( 14.351 -0.000 0.000) 14.351 9.296 ( 3.803 -0.000 0.000) 3.803 9.632 ( 15.284 -0.000 0.000) 15.284 10.346 ( 1.490 -0.000 0.000) 1.490 10.383 ( -9.936 0.000 0.000) 9.936 10.444 ( 8.084 -0.000 0.000) 8.084 10.483 ( -9.084 0.000 0.000) 9.084 11.612 ( -7.287 0.000 0.000) 7.287 11.782 ( 1.495 -0.000 0.000) 1.495 11.846 ( 5.547 -0.000 0.000) 5.547 11.884 ( -1.989 0.000 0.000) 1.989 11.912 ( 1.910 -0.000 0.000) 1.910 11.925 ( -0.566 0.000 0.000) 0.566 12.320 ( 1.084 -0.000 0.000) 1.084 12.340 ( 0.110 -0.000 0.000) 0.110 13.408 ( -6.469 0.000 0.000) 6.469 13.540 ( -3.393 0.000 0.000) 3.393 13.823 ( 9.712 -0.000 0.000) 9.712 13.865 ( 10.088 -0.000 0.000) 10.088 ======================= Grid point 32 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -8.263 0.906 0.000) 8.312 0.962 ( -0.877 0.292 0.000) 0.924 0.992 ( -1.569 1.565 0.000) 2.216 1.159 ( -4.448 -0.940 0.000) 4.547 1.168 ( -5.268 8.259 0.000) 9.796 1.204 ( -3.763 1.791 0.000) 4.167 1.325 ( -7.440 -9.284 0.000) 11.898 1.493 ( -0.395 4.747 0.000) 4.763 1.621 ( -1.921 4.810 0.000) 5.179 1.631 ( -3.027 -3.980 0.000) 5.001 1.686 ( -1.493 -1.358 0.000) 2.018 1.708 ( -1.640 -1.556 0.000) 2.261 1.708 ( -2.261 0.545 0.000) 2.326 1.767 ( 1.856 0.562 0.000) 1.939 1.805 ( 4.607 -1.462 0.000) 4.833 1.911 ( 2.315 3.004 0.000) 3.792 1.982 ( 2.447 -3.007 0.000) 3.877 1.994 ( -1.813 1.141 0.000) 2.142 2.021 ( -0.440 -0.626 0.000) 0.765 2.036 ( 0.552 2.773 0.000) 2.828 2.100 ( 2.350 3.544 0.000) 4.253 2.130 ( -2.523 -0.280 0.000) 2.538 2.155 ( 1.722 -4.145 0.000) 4.489 2.254 ( 0.948 12.986 0.000) 13.021 2.371 ( -2.023 0.738 0.000) 2.153 2.386 ( -2.335 -0.384 0.000) 2.367 2.432 ( 2.030 -1.606 0.000) 2.588 2.515 ( -0.949 -0.265 0.000) 0.985 2.586 ( 0.838 -5.965 0.000) 6.023 2.704 ( -1.583 -0.632 0.000) 1.704 2.719 ( -9.848 -2.981 0.000) 10.289 2.751 ( -10.326 -0.892 0.000) 10.365 2.910 ( -4.305 -0.482 0.000) 4.332 2.926 ( -4.628 0.399 0.000) 4.645 2.927 ( 3.974 0.238 0.000) 3.981 3.044 ( -2.576 -2.208 0.000) 3.393 3.128 ( -0.381 -0.838 0.000) 0.920 3.251 ( -7.616 0.011 0.000) 7.616 3.298 ( -1.442 0.563 0.000) 1.548 3.373 ( -1.377 -0.731 0.000) 1.559 3.423 ( 4.864 -0.044 0.000) 4.864 3.498 ( 4.356 0.159 0.000) 4.359 3.579 ( 1.131 0.539 0.000) 1.253 3.818 ( -1.428 0.240 0.000) 1.448 3.913 ( 1.877 -0.230 0.000) 1.891 4.123 ( -3.736 0.169 0.000) 3.740 4.229 ( 3.489 0.965 0.000) 3.620 4.319 ( -0.723 0.529 0.000) 0.896 4.341 ( -3.244 -0.384 0.000) 3.267 4.402 ( -5.781 -0.046 0.000) 5.781 4.430 ( -6.319 0.543 0.000) 6.342 4.705 ( -8.548 -0.351 0.000) 8.556 4.805 ( 2.202 0.291 0.000) 2.222 4.917 ( -0.805 -0.087 0.000) 0.810 4.965 ( 11.653 0.324 0.000) 11.658 5.129 ( -0.664 -0.257 0.000) 0.712 5.151 ( -3.515 -0.264 0.000) 3.524 5.339 ( 8.552 -1.136 0.000) 8.628 5.425 ( 3.040 0.534 0.000) 3.086 5.541 ( 1.855 -0.226 0.000) 1.869 5.761 ( -4.965 -1.068 0.000) 5.078 5.874 ( -6.454 -0.874 0.000) 6.513 6.159 ( 0.156 -0.246 0.000) 0.292 6.237 ( -2.350 0.579 0.000) 2.420 6.259 ( -5.697 -0.418 0.000) 5.712 6.333 ( -1.340 2.856 0.000) 3.155 6.401 ( 1.631 -2.989 0.000) 3.405 6.545 ( -2.446 0.050 0.000) 2.446 6.686 ( -2.330 0.365 0.000) 2.359 6.817 ( -3.976 -0.753 0.000) 4.047 6.882 ( -2.704 0.965 0.000) 2.871 6.899 ( -4.522 -0.859 0.000) 4.603 7.016 ( -4.333 -0.778 0.000) 4.403 7.204 ( -0.281 -2.927 0.000) 2.941 7.261 ( -7.132 -0.165 0.000) 7.134 7.417 ( -7.627 -0.292 0.000) 7.633 7.585 ( 8.096 -2.675 0.000) 8.526 7.749 ( -5.034 0.738 0.000) 5.088 8.319 ( 0.596 -0.425 0.000) 0.732 8.497 ( -11.472 -0.656 0.000) 11.491 8.642 ( 0.454 1.518 0.000) 1.584 8.675 ( 2.289 0.182 0.000) 2.297 8.691 ( -11.594 0.993 0.000) 11.636 9.383 ( 5.453 -0.248 0.000) 5.459 9.426 ( 16.356 1.041 0.000) 16.389 9.915 ( 15.599 -0.036 0.000) 15.599 10.202 ( -9.587 -0.043 0.000) 9.587 10.291 ( -9.592 1.618 0.000) 9.728 10.368 ( -0.541 -0.426 0.000) 0.689 10.599 ( 8.920 -0.044 0.000) 8.920 11.454 ( -10.178 -0.141 0.000) 10.179 11.665 ( -11.934 -1.033 0.000) 11.979 11.895 ( 0.898 2.044 0.000) 2.233 11.934 ( 0.459 -2.312 0.000) 2.357 11.963 ( 6.941 -0.189 0.000) 6.943 11.989 ( 6.137 0.343 0.000) 6.146 12.340 ( 1.058 -0.019 0.000) 1.058 12.342 ( 0.200 0.251 0.000) 0.321 13.317 ( -2.929 1.694 0.000) 3.383 13.503 ( -0.350 0.556 0.000) 0.657 13.977 ( 7.227 0.007 0.000) 7.227 14.027 ( 7.734 0.195 0.000) 7.737 ======================= Grid point 33 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -6.505 4.258 0.000) 7.774 0.880 ( -7.593 10.868 0.000) 13.258 0.958 ( -0.795 1.463 0.000) 1.665 0.989 ( -2.555 0.045 0.000) 2.555 1.119 ( -1.400 -1.216 0.000) 1.855 1.178 ( -0.557 0.668 0.000) 0.870 1.266 ( -6.587 -6.726 0.000) 9.414 1.427 ( -1.249 7.132 0.000) 7.241 1.574 ( 0.862 3.753 0.000) 3.851 1.630 ( -0.759 0.545 0.000) 0.934 1.645 ( -2.154 2.415 0.000) 3.236 1.662 ( -1.493 -2.833 0.000) 3.203 1.705 ( -0.628 3.883 0.000) 3.933 1.794 ( 2.007 1.476 0.000) 2.491 1.853 ( -6.955 6.102 0.000) 9.252 1.858 ( 0.224 -0.341 0.000) 0.408 1.928 ( 1.376 2.505 0.000) 2.858 1.987 ( -2.106 -0.651 0.000) 2.205 2.006 ( -0.609 0.184 0.000) 0.636 2.052 ( 2.373 -3.511 0.000) 4.238 2.093 ( 1.961 8.492 0.000) 8.716 2.118 ( -0.519 -2.047 0.000) 2.112 2.195 ( 1.454 -0.599 0.000) 1.572 2.264 ( 2.727 -2.244 0.000) 3.532 2.305 ( -2.353 4.233 0.000) 4.843 2.385 ( 1.564 0.842 0.000) 1.776 2.463 ( 0.185 0.078 0.000) 0.201 2.534 ( 0.732 -4.444 0.000) 4.504 2.572 ( -7.568 -0.968 0.000) 7.630 2.610 ( -3.146 -1.764 0.000) 3.607 2.699 ( 0.340 -1.555 0.000) 1.591 2.701 ( 1.936 -8.689 0.000) 8.902 2.819 ( -5.556 -0.417 0.000) 5.572 2.847 ( -3.739 -1.740 0.000) 4.124 2.956 ( -0.358 1.369 0.000) 1.415 3.056 ( 1.003 -4.116 0.000) 4.236 3.131 ( -0.136 -0.474 0.000) 0.493 3.134 ( -5.446 -1.520 0.000) 5.654 3.274 ( -0.590 0.882 0.000) 1.061 3.371 ( -0.136 -1.422 0.000) 1.428 3.507 ( 3.317 0.418 0.000) 3.343 3.573 ( 3.750 0.232 0.000) 3.757 3.610 ( 3.417 1.754 0.000) 3.841 3.778 ( -2.497 0.192 0.000) 2.504 3.906 ( -2.214 -0.656 0.000) 2.309 4.100 ( 0.682 0.108 0.000) 0.691 4.245 ( 0.028 1.794 0.000) 1.795 4.272 ( -4.804 -0.798 0.000) 4.870 4.295 ( -3.945 0.436 0.000) 3.969 4.309 ( -0.876 1.150 0.000) 1.446 4.326 ( -3.289 1.686 0.000) 3.696 4.564 ( -6.790 -1.072 0.000) 6.874 4.853 ( 2.565 -0.542 0.000) 2.622 4.913 ( 0.206 0.327 0.000) 0.386 5.088 ( -2.566 0.237 0.000) 2.576 5.123 ( -0.460 -0.038 0.000) 0.462 5.168 ( 9.796 1.496 0.000) 9.910 5.469 ( 2.284 1.142 0.000) 2.554 5.499 ( 7.042 -1.941 0.000) 7.305 5.541 ( -1.805 0.232 0.000) 1.820 5.708 ( -2.274 -2.413 0.000) 3.315 5.773 ( -5.577 -3.023 0.000) 6.343 6.155 ( -5.358 -0.479 0.000) 5.380 6.164 ( -0.144 -0.590 0.000) 0.607 6.209 ( -0.110 0.535 0.000) 0.546 6.307 ( 0.305 2.106 0.000) 2.128 6.435 ( -0.299 -1.727 0.000) 1.753 6.507 ( -1.653 -0.337 0.000) 1.687 6.659 ( -0.704 -0.043 0.000) 0.705 6.768 ( -2.331 -2.469 0.000) 3.395 6.781 ( -5.502 -0.232 0.000) 5.507 6.806 ( -4.529 -0.140 0.000) 4.532 7.033 ( 1.573 -2.009 0.000) 2.551 7.033 ( -9.380 -0.775 0.000) 9.412 7.301 ( -4.707 -0.002 0.000) 4.707 7.354 ( 4.421 -4.409 0.000) 6.243 7.668 ( -2.817 1.029 0.000) 2.999 7.750 ( 6.777 -4.276 0.000) 8.014 8.300 ( -10.013 -0.713 0.000) 10.039 8.338 ( 0.589 -0.702 0.000) 0.916 8.491 ( -8.160 1.723 0.000) 8.340 8.642 ( 1.039 2.863 0.000) 3.045 8.719 ( 2.528 0.678 0.000) 2.617 9.489 ( 5.439 -1.083 0.000) 5.546 9.682 ( 11.979 0.792 0.000) 12.005 10.053 ( -6.749 -0.327 0.000) 6.757 10.110 ( -8.902 0.038 0.000) 8.902 10.175 ( 11.956 -1.251 0.000) 12.021 10.358 ( -0.108 2.105 0.000) 2.107 10.774 ( 11.384 1.292 0.000) 11.457 11.268 ( -9.625 -0.229 0.000) 9.628 11.410 ( -16.683 -1.073 0.000) 16.718 11.890 ( 0.433 1.959 0.000) 2.006 11.956 ( 0.056 -2.342 0.000) 2.343 12.073 ( 4.483 0.004 0.000) 4.483 12.080 ( 4.058 1.428 0.000) 4.302 12.342 ( 0.164 0.410 0.000) 0.442 12.355 ( 0.631 0.093 0.000) 0.638 13.268 ( -0.402 4.258 0.000) 4.277 13.523 ( 2.187 -1.185 0.000) 2.488 14.077 ( 3.876 0.340 0.000) 3.891 14.134 ( 4.325 0.390 0.000) 4.342 ======================= Grid point 34 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -0.000 7.719 0.000) 7.719 0.685 ( -0.000 13.608 0.000) 13.608 0.941 ( -0.000 0.756 0.000) 0.756 0.980 ( 0.000 -0.268 0.000) 0.268 1.117 ( 0.000 -1.185 0.000) 1.185 1.185 ( -0.000 0.944 0.000) 0.944 1.216 ( 0.000 -3.321 0.000) 3.321 1.358 ( -0.000 6.954 0.000) 6.954 1.550 ( -0.000 24.423 0.000) 24.423 1.579 ( -0.000 4.743 0.000) 4.743 1.583 ( -0.000 6.502 0.000) 6.502 1.594 ( 0.000 -0.795 0.000) 0.795 1.697 ( 0.000 -5.972 0.000) 5.972 1.811 ( 0.000 -6.053 0.000) 6.053 1.815 ( -0.000 0.801 0.000) 0.801 1.826 ( -0.000 3.945 0.000) 3.945 1.926 ( -0.000 0.352 0.000) 0.352 1.982 ( 0.000 -2.232 0.000) 2.232 2.004 ( -0.000 0.273 0.000) 0.273 2.054 ( -0.000 5.689 0.000) 5.689 2.110 ( 0.000 -1.335 0.000) 1.335 2.128 ( 0.000 -4.810 0.000) 4.810 2.218 ( 0.000 -1.039 0.000) 1.039 2.243 ( -0.000 5.800 0.000) 5.800 2.321 ( 0.000 -4.343 0.000) 4.343 2.413 ( 0.000 -0.766 0.000) 0.766 2.447 ( -0.000 0.443 0.000) 0.443 2.493 ( -0.000 0.561 0.000) 0.561 2.589 ( 0.000 -6.987 0.000) 6.987 2.598 ( 0.000 -1.810 0.000) 1.810 2.742 ( 0.000 -0.335 0.000) 0.335 2.749 ( 0.000 -3.639 0.000) 3.639 2.792 ( 0.000 -5.085 0.000) 5.085 2.827 ( 0.000 -2.360 0.000) 2.360 2.941 ( -0.000 0.090 0.000) 0.090 3.056 ( -0.000 1.829 0.000) 1.829 3.130 ( 0.000 -0.044 0.000) 0.044 3.144 ( 0.000 -9.805 0.000) 9.805 3.262 ( -0.000 1.112 0.000) 1.112 3.383 ( 0.000 -1.799 0.000) 1.799 3.527 ( -0.000 1.008 0.000) 1.008 3.608 ( -0.000 0.839 0.000) 0.839 3.637 ( -0.000 3.763 0.000) 3.763 3.747 ( 0.000 -0.526 0.000) 0.526 3.885 ( 0.000 -0.783 0.000) 0.783 4.111 ( 0.000 -0.092 0.000) 0.092 4.220 ( -0.000 0.143 0.000) 0.143 4.226 ( -0.000 2.003 0.000) 2.003 4.249 ( -0.000 0.087 0.000) 0.087 4.287 ( -0.000 1.670 0.000) 1.670 4.293 ( -0.000 2.514 0.000) 2.514 4.506 ( 0.000 -1.323 0.000) 1.323 4.887 ( 0.000 -1.090 0.000) 1.090 4.912 ( -0.000 0.655 0.000) 0.655 5.058 ( -0.000 0.187 0.000) 0.187 5.116 ( -0.000 0.286 0.000) 0.286 5.253 ( -0.000 3.495 0.000) 3.495 5.482 ( -0.000 1.264 0.000) 1.264 5.508 ( -0.000 0.269 0.000) 0.269 5.578 ( 0.000 -0.369 0.000) 0.369 5.712 ( 0.000 -3.354 0.000) 3.354 5.756 ( 0.000 -6.425 0.000) 6.425 6.102 ( -0.000 0.156 0.000) 0.156 6.167 ( 0.000 -0.770 0.000) 0.770 6.211 ( -0.000 0.153 0.000) 0.153 6.299 ( -0.000 1.751 0.000) 1.751 6.430 ( 0.000 -0.455 0.000) 0.455 6.496 ( 0.000 -0.718 0.000) 0.718 6.654 ( 0.000 -0.093 0.000) 0.093 6.740 ( 0.000 -1.051 0.000) 1.051 6.756 ( -0.000 0.202 0.000) 0.202 6.782 ( 0.000 -5.673 0.000) 5.673 6.943 ( 0.000 -0.250 0.000) 0.250 7.067 ( 0.000 -2.606 0.000) 2.606 7.255 ( -0.000 0.146 0.000) 0.146 7.435 ( 0.000 -4.860 0.000) 4.860 7.634 ( -0.000 1.215 0.000) 1.215 7.862 ( 0.000 -5.686 0.000) 5.686 8.198 ( 0.000 -0.600 0.000) 0.600 8.343 ( 0.000 -0.538 0.000) 0.538 8.406 ( -0.000 1.434 0.000) 1.434 8.626 ( -0.000 3.835 0.000) 3.835 8.739 ( -0.000 0.989 0.000) 0.989 9.566 ( 0.000 -2.775 0.000) 2.775 9.807 ( 0.000 -0.664 0.000) 0.664 9.979 ( -0.000 0.462 0.000) 0.462 10.013 ( -0.000 0.461 0.000) 0.461 10.316 ( 0.000 -3.215 0.000) 3.215 10.335 ( -0.000 3.275 0.000) 3.275 10.939 ( -0.000 2.252 0.000) 2.252 11.167 ( -0.000 0.012 0.000) 0.012 11.176 ( 0.000 -0.000 0.000) 0.000 11.879 ( -0.000 2.065 0.000) 2.065 11.974 ( 0.000 -2.219 0.000) 2.219 12.102 ( -0.000 2.389 0.000) 2.389 12.113 ( 0.000 -0.038 0.000) 0.038 12.340 ( -0.000 0.570 0.000) 0.570 12.360 ( -0.000 0.173 0.000) 0.173 13.223 ( -0.000 6.769 0.000) 6.769 13.574 ( 0.000 -3.731 0.000) 3.731 14.108 ( -0.000 0.632 0.000) 0.632 14.171 ( -0.000 0.484 0.000) 0.484 ======================= Grid point 41 (24/75) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -5.947 0.000 0.000) 5.947 0.961 ( 0.556 -0.000 0.000) 0.556 0.976 ( -0.866 0.000 0.000) 0.866 1.027 ( -11.165 0.000 0.000) 11.165 1.106 ( -1.276 0.000 0.000) 1.276 1.163 ( -5.288 0.000 0.000) 5.288 1.198 ( -0.151 0.000 0.000) 0.151 1.532 ( 1.137 -0.000 0.000) 1.137 1.548 ( -2.864 0.000 0.000) 2.864 1.636 ( -0.443 0.000 0.000) 0.443 1.644 ( -0.474 0.000 0.000) 0.474 1.678 ( -1.437 0.000 0.000) 1.437 1.690 ( 0.149 -0.000 0.000) 0.149 1.807 ( 2.021 -0.000 0.000) 2.021 1.851 ( 1.391 -0.000 0.000) 1.391 1.942 ( -3.926 0.000 0.000) 3.926 1.979 ( -0.608 0.000 0.000) 0.608 1.985 ( 1.078 -0.000 0.000) 1.078 1.991 ( 0.479 -0.000 0.000) 0.479 1.996 ( -3.991 0.000 0.000) 3.991 2.103 ( -0.799 0.000 0.000) 0.799 2.172 ( 3.063 -0.000 0.000) 3.063 2.172 ( 1.621 -0.000 0.000) 1.621 2.310 ( -1.813 0.000 0.000) 1.813 2.339 ( -1.820 0.000 0.000) 1.820 2.401 ( 4.031 -0.000 0.000) 4.031 2.461 ( 2.406 -0.000 0.000) 2.406 2.499 ( -0.144 0.000 0.000) 0.144 2.539 ( -3.942 0.000 0.000) 3.942 2.587 ( -6.735 0.000 0.000) 6.735 2.601 ( -0.675 0.000 0.000) 0.675 2.686 ( 0.172 -0.000 0.000) 0.172 2.819 ( -6.110 0.000 0.000) 6.110 2.828 ( -3.851 0.000 0.000) 3.851 2.977 ( -3.168 0.000 0.000) 3.168 3.012 ( 4.003 -0.000 0.000) 4.003 3.127 ( 0.262 -0.000 0.000) 0.262 3.131 ( -5.263 0.000 0.000) 5.263 3.281 ( -0.646 0.000 0.000) 0.646 3.359 ( -0.165 0.000 0.000) 0.165 3.510 ( 3.472 -0.000 0.000) 3.472 3.573 ( 3.549 -0.000 0.000) 3.549 3.623 ( 3.698 -0.000 0.000) 3.698 3.780 ( -2.605 0.000 0.000) 2.605 3.901 ( -2.178 0.000 0.000) 2.178 4.101 ( 0.587 -0.000 0.000) 0.587 4.260 ( 0.046 -0.000 0.000) 0.046 4.266 ( -4.360 0.000 0.000) 4.360 4.296 ( -5.196 0.000 0.000) 5.196 4.321 ( 0.491 -0.000 0.000) 0.491 4.340 ( -3.507 0.000 0.000) 3.507 4.556 ( -6.714 0.000 0.000) 6.714 4.849 ( 2.280 -0.000 0.000) 2.280 4.916 ( 0.313 -0.000 0.000) 0.313 5.090 ( -2.877 0.000 0.000) 2.877 5.122 ( -0.257 0.000 0.000) 0.257 5.180 ( 10.777 -0.000 0.000) 10.777 5.479 ( 2.417 -0.000 0.000) 2.417 5.483 ( 7.449 -0.000 0.000) 7.449 5.543 ( -1.613 0.000 0.000) 1.613 5.687 ( -2.543 0.000 0.000) 2.543 5.749 ( -6.457 0.000 0.000) 6.457 6.152 ( -4.976 0.000 0.000) 4.976 6.159 ( -0.169 0.000 0.000) 0.169 6.213 ( -0.446 0.000 0.000) 0.446 6.327 ( -0.563 0.000 0.000) 0.563 6.418 ( 0.938 -0.000 0.000) 0.938 6.504 ( -1.856 0.000 0.000) 1.856 6.659 ( -0.785 0.000 0.000) 0.785 6.750 ( -2.786 0.000 0.000) 2.786 6.778 ( -6.033 0.000 0.000) 6.033 6.805 ( -4.465 0.000 0.000) 4.465 7.017 ( 1.638 -0.000 0.000) 1.638 7.027 ( -9.078 0.000 0.000) 9.078 7.301 ( -4.754 0.000 0.000) 4.754 7.317 ( 4.696 -0.000 0.000) 4.696 7.677 ( -2.814 0.000 0.000) 2.814 7.716 ( 7.044 -0.000 0.000) 7.044 8.294 ( -9.824 0.000 0.000) 9.824 8.332 ( 0.670 -0.000 0.000) 0.670 8.505 ( -8.371 0.000 0.000) 8.371 8.665 ( 1.085 -0.000 0.000) 1.085 8.724 ( 2.514 -0.000 0.000) 2.514 9.481 ( 5.067 -0.000 0.000) 5.067 9.689 ( 11.254 -0.000 0.000) 11.254 10.046 ( -6.208 0.000 0.000) 6.208 10.111 ( -8.961 0.000 0.000) 8.961 10.170 ( 11.177 -0.000 0.000) 11.177 10.375 ( 0.192 -0.000 0.000) 0.192 10.784 ( 11.787 -0.000 0.000) 11.787 11.267 ( -9.554 0.000 0.000) 9.554 11.403 ( -16.031 0.000 0.000) 16.031 11.919 ( 0.380 -0.000 0.000) 0.380 11.924 ( 0.147 -0.000 0.000) 0.147 12.074 ( 4.691 -0.000 0.000) 4.691 12.091 ( 4.271 -0.000 0.000) 4.271 12.345 ( 0.124 -0.000 0.000) 0.124 12.356 ( 0.678 -0.000 0.000) 0.678 13.302 ( -0.025 0.000 0.000) 0.025 13.512 ( 0.894 -0.000 0.000) 0.894 14.079 ( 3.991 -0.000 0.000) 3.991 14.137 ( 4.275 -0.000 0.000) 4.275 ======================= Grid point 43 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -0.000 2.270 0.000) 2.270 0.871 ( -0.000 9.167 0.000) 9.167 0.963 ( -0.000 1.306 0.000) 1.306 0.974 ( 0.000 -0.275 0.000) 0.275 1.100 ( 0.000 -0.788 0.000) 0.788 1.131 ( 0.000 -6.097 0.000) 6.097 1.194 ( -0.000 0.341 0.000) 0.341 1.471 ( -0.000 7.544 0.000) 7.544 1.592 ( 0.000 -7.271 0.000) 7.271 1.617 ( -0.000 2.966 0.000) 2.966 1.633 ( -0.000 1.892 0.000) 1.892 1.654 ( -0.000 2.519 0.000) 2.519 1.721 ( 0.000 -4.951 0.000) 4.951 1.826 ( -0.000 0.483 0.000) 0.483 1.841 ( -0.000 12.088 0.000) 12.088 1.860 ( -0.000 0.494 0.000) 0.494 1.953 ( -0.000 0.677 0.000) 0.677 1.968 ( -0.000 2.805 0.000) 2.805 1.980 ( 0.000 -3.643 0.000) 3.643 2.049 ( 0.000 -5.152 0.000) 5.152 2.095 ( 0.000 -0.585 0.000) 0.585 2.173 ( -0.000 5.228 0.000) 5.228 2.202 ( 0.000 -0.753 0.000) 0.753 2.278 ( -0.000 2.231 0.000) 2.231 2.312 ( -0.000 2.521 0.000) 2.521 2.434 ( -0.000 4.455 0.000) 4.455 2.452 ( -0.000 0.184 0.000) 0.184 2.499 ( -0.000 0.176 0.000) 0.176 2.511 ( 0.000 -2.730 0.000) 2.730 2.566 ( 0.000 -4.205 0.000) 4.205 2.646 ( 0.000 -10.754 0.000) 10.754 2.709 ( 0.000 -1.456 0.000) 1.456 2.743 ( -0.000 0.289 0.000) 0.289 2.796 ( 0.000 -1.363 0.000) 1.363 2.943 ( -0.000 0.070 0.000) 0.070 3.057 ( 0.000 -1.694 0.000) 1.694 3.077 ( -0.000 0.775 0.000) 0.775 3.129 ( 0.000 -0.007 0.000) 0.007 3.274 ( -0.000 0.439 0.000) 0.439 3.361 ( 0.000 -0.816 0.000) 0.816 3.537 ( -0.000 0.284 0.000) 0.284 3.610 ( 0.000 -0.249 0.000) 0.249 3.675 ( -0.000 1.233 0.000) 1.233 3.742 ( 0.000 -0.144 0.000) 0.144 3.877 ( 0.000 -0.251 0.000) 0.251 4.111 ( -0.000 0.011 0.000) 0.011 4.220 ( 0.000 -0.050 0.000) 0.050 4.243 ( -0.000 0.215 0.000) 0.215 4.255 ( -0.000 0.549 0.000) 0.549 4.306 ( -0.000 0.673 0.000) 0.673 4.323 ( -0.000 1.108 0.000) 1.108 4.493 ( 0.000 -0.410 0.000) 0.410 4.874 ( 0.000 -0.455 0.000) 0.455 4.919 ( -0.000 0.218 0.000) 0.218 5.061 ( -0.000 0.073 0.000) 0.073 5.119 ( -0.000 0.115 0.000) 0.115 5.292 ( -0.000 1.404 0.000) 1.404 5.500 ( -0.000 0.834 0.000) 0.834 5.511 ( -0.000 0.125 0.000) 0.125 5.574 ( 0.000 -0.164 0.000) 0.164 5.671 ( 0.000 -1.605 0.000) 1.605 5.679 ( 0.000 -2.873 0.000) 2.873 6.103 ( -0.000 0.063 0.000) 0.063 6.157 ( 0.000 -0.378 0.000) 0.378 6.212 ( -0.000 0.061 0.000) 0.061 6.319 ( -0.000 0.734 0.000) 0.734 6.425 ( 0.000 -0.182 0.000) 0.182 6.488 ( 0.000 -0.313 0.000) 0.313 6.653 ( 0.000 -0.038 0.000) 0.038 6.725 ( 0.000 -0.659 0.000) 0.659 6.729 ( 0.000 -1.527 0.000) 1.527 6.758 ( -0.000 0.079 0.000) 0.079 6.940 ( 0.000 -0.098 0.000) 0.098 7.038 ( 0.000 -1.003 0.000) 1.003 7.257 ( -0.000 0.057 0.000) 0.057 7.374 ( 0.000 -2.377 0.000) 2.377 7.650 ( -0.000 0.698 0.000) 0.698 7.801 ( 0.000 -2.158 0.000) 2.158 8.191 ( 0.000 -0.236 0.000) 0.236 8.337 ( 0.000 -0.212 0.000) 0.212 8.424 ( -0.000 0.678 0.000) 0.678 8.670 ( -0.000 1.565 0.000) 1.565 8.748 ( -0.000 0.287 0.000) 0.287 9.538 ( 0.000 -0.861 0.000) 0.861 9.798 ( 0.000 -0.408 0.000) 0.408 9.984 ( -0.000 0.182 0.000) 0.182 10.018 ( -0.000 0.182 0.000) 0.182 10.287 ( 0.000 -0.786 0.000) 0.786 10.371 ( -0.000 1.259 0.000) 1.259 10.964 ( -0.000 0.899 0.000) 0.899 11.167 ( -0.000 0.005 0.000) 0.005 11.176 ( -0.000 0.000 0.000) 0.000 11.909 ( -0.000 1.890 0.000) 1.890 11.940 ( 0.000 -2.138 0.000) 2.138 12.117 ( -0.000 0.221 0.000) 0.221 12.128 ( -0.000 0.856 0.000) 0.856 12.346 ( -0.000 0.171 0.000) 0.171 12.362 ( -0.000 0.085 0.000) 0.085 13.295 ( -0.000 2.459 0.000) 2.459 13.529 ( 0.000 -1.739 0.000) 1.739 14.115 ( -0.000 0.258 0.000) 0.258 14.176 ( -0.000 0.149 0.000) 0.149 ======================= Grid point 85 (26/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 0.000 0.000 16.385) 16.385 0.318 ( 0.000 0.000 17.421) 17.421 0.585 ( 0.000 0.000 28.078) 28.078 0.874 ( 0.000 0.000 -8.589) 8.589 0.920 ( 0.000 0.000 -15.489) 15.489 1.107 ( 0.000 0.000 3.230) 3.230 1.220 ( 0.000 0.000 -2.688) 2.688 1.271 ( 0.000 0.000 -1.474) 1.474 1.374 ( 0.000 0.000 1.499) 1.499 1.419 ( 0.000 0.000 11.560) 11.560 1.498 ( 0.000 0.000 6.288) 6.288 1.649 ( 0.000 0.000 -8.498) 8.498 1.719 ( 0.000 0.000 -4.443) 4.443 1.737 ( 0.000 0.000 1.560) 1.560 1.746 ( 0.000 0.000 -11.184) 11.184 1.833 ( 0.000 0.000 -3.131) 3.131 2.025 ( 0.000 0.000 3.402) 3.402 2.027 ( 0.000 0.000 -0.833) 0.833 2.061 ( 0.000 0.000 -1.370) 1.370 2.107 ( 0.000 0.000 3.668) 3.668 2.135 ( 0.000 0.000 4.009) 4.009 2.137 ( 0.000 0.000 -1.991) 1.991 2.222 ( 0.000 0.000 0.234) 0.234 2.248 ( 0.000 0.000 -3.026) 3.026 2.401 ( 0.000 0.000 1.866) 1.866 2.441 ( 0.000 0.000 0.281) 0.281 2.453 ( 0.000 0.000 -0.272) 0.272 2.547 ( 0.000 0.000 -4.337) 4.337 2.652 ( 0.000 0.000 0.301) 0.301 2.668 ( 0.000 0.000 -1.931) 1.931 2.766 ( 0.000 0.000 -0.823) 0.823 2.820 ( 0.000 0.000 -4.242) 4.242 2.989 ( 0.000 0.000 3.171) 3.171 2.994 ( 0.000 0.000 -0.219) 0.219 3.005 ( 0.000 0.000 -0.812) 0.812 3.061 ( 0.000 0.000 3.526) 3.526 3.081 ( 0.000 0.000 7.762) 7.762 3.141 ( 0.000 0.000 2.870) 2.870 3.289 ( 0.000 0.000 3.729) 3.729 3.342 ( 0.000 0.000 -6.562) 6.562 3.386 ( 0.000 0.000 -5.465) 5.465 3.447 ( 0.000 0.000 -2.978) 2.978 3.712 ( 0.000 0.000 10.649) 10.649 3.806 ( 0.000 0.000 2.196) 2.196 3.908 ( 0.000 0.000 -2.440) 2.440 4.127 ( 0.000 0.000 0.171) 0.171 4.141 ( 0.000 0.000 -9.080) 9.080 4.142 ( 0.000 0.000 -0.471) 0.471 4.163 ( 0.000 0.000 2.045) 2.045 4.236 ( 0.000 0.000 -1.379) 1.379 4.321 ( 0.000 0.000 7.332) 7.332 4.461 ( 0.000 0.000 0.964) 0.964 4.764 ( 0.000 0.000 -16.025) 16.025 4.767 ( 0.000 0.000 -10.473) 10.473 5.126 ( 0.000 0.000 16.847) 16.847 5.418 ( 0.000 0.000 18.787) 18.787 5.427 ( 0.000 0.000 0.598) 0.598 5.513 ( 0.000 0.000 1.450) 1.450 5.578 ( 0.000 0.000 -1.224) 1.224 5.605 ( 0.000 0.000 6.811) 6.811 5.708 ( 0.000 0.000 -6.201) 6.201 5.984 ( 0.000 0.000 1.013) 1.013 6.047 ( 0.000 0.000 -12.831) 12.831 6.056 ( 0.000 0.000 -12.003) 12.003 6.143 ( 0.000 0.000 2.824) 2.824 6.364 ( 0.000 0.000 -7.010) 7.010 6.568 ( 0.000 0.000 8.606) 8.606 6.729 ( 0.000 0.000 5.748) 5.748 6.763 ( 0.000 0.000 0.459) 0.459 6.813 ( 0.000 0.000 -4.211) 4.211 6.832 ( 0.000 0.000 5.304) 5.304 6.872 ( 0.000 0.000 -3.293) 3.293 6.951 ( 0.000 0.000 1.499) 1.499 7.197 ( 0.000 0.000 -5.478) 5.478 7.386 ( 0.000 0.000 4.541) 4.541 7.397 ( 0.000 0.000 2.430) 2.430 7.572 ( 0.000 0.000 -0.120) 0.120 7.743 ( 0.000 0.000 -6.231) 6.231 8.245 ( 0.000 0.000 2.450) 2.450 8.345 ( 0.000 0.000 -1.943) 1.943 8.541 ( 0.000 0.000 5.919) 5.919 8.652 ( 0.000 0.000 1.194) 1.194 9.488 ( 0.000 0.000 -1.024) 1.024 9.630 ( 0.000 0.000 -7.733) 7.733 9.825 ( 0.000 0.000 2.004) 2.004 9.826 ( 0.000 0.000 1.062) 1.062 9.966 ( 0.000 0.000 0.543) 0.543 9.991 ( 0.000 0.000 -0.522) 0.522 10.767 ( 0.000 0.000 2.132) 2.132 10.836 ( 0.000 0.000 -0.964) 0.964 11.168 ( 0.000 0.000 0.146) 0.146 11.174 ( 0.000 0.000 -0.145) 0.145 11.783 ( 0.000 0.000 1.792) 1.792 11.908 ( 0.000 0.000 -4.971) 4.971 12.145 ( 0.000 0.000 6.985) 6.985 12.294 ( 0.000 0.000 0.503) 0.503 12.348 ( 0.000 0.000 -0.933) 0.933 12.377 ( 0.000 0.000 -3.559) 3.559 12.845 ( 0.000 0.000 0.291) 0.291 12.851 ( 0.000 0.000 0.066) 0.066 14.151 ( 0.000 0.000 0.510) 0.510 14.174 ( 0.000 0.000 -0.491) 0.491 ======================= Grid point 86 (27/75) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 10.680 -5.177 10.913) 16.123 0.467 ( 11.003 -4.227 11.814) 16.689 0.854 ( 18.250 -5.090 6.839) 20.143 0.936 ( 8.657 -2.594 1.445) 9.152 0.974 ( 4.593 -2.075 -11.826) 12.855 1.107 ( 0.450 0.573 2.591) 2.692 1.196 ( -1.769 0.174 -1.160) 2.122 1.294 ( 0.311 2.368 3.085) 3.901 1.330 ( 0.028 -2.669 2.383) 3.578 1.474 ( 2.622 0.630 9.188) 9.575 1.506 ( 5.583 -2.695 8.054) 10.164 1.676 ( 1.962 -0.809 -6.017) 6.380 1.735 ( 1.218 -0.148 -2.289) 2.598 1.747 ( 1.478 1.257 0.031) 1.940 1.772 ( 2.124 -1.724 -10.552) 10.901 1.843 ( 1.843 1.542 -4.035) 4.697 1.979 ( -2.463 1.239 2.248) 3.557 1.995 ( -2.830 0.051 2.146) 3.552 2.055 ( -0.473 1.438 -2.639) 3.042 2.070 ( -1.902 2.086 4.425) 5.249 2.095 ( -3.769 0.086 -1.353) 4.005 2.110 ( -1.913 -2.416 3.756) 4.859 2.200 ( -1.696 1.198 -0.586) 2.157 2.236 ( -2.361 -2.560 -1.702) 3.877 2.265 ( -3.451 1.135 0.970) 3.760 2.332 ( -7.083 -0.897 -1.723) 7.344 2.563 ( 1.981 5.073 -0.922) 5.524 2.635 ( 0.507 1.122 -5.839) 5.967 2.675 ( 5.268 0.538 -0.586) 5.328 2.691 ( 6.591 0.563 0.347) 6.624 2.784 ( 1.565 0.293 0.100) 1.595 2.838 ( 1.465 -0.263 -3.822) 4.101 2.858 ( -2.093 0.695 2.797) 3.562 2.943 ( -2.110 0.142 -1.374) 2.522 2.996 ( -4.831 -0.070 7.422) 8.856 3.139 ( 5.557 0.915 4.575) 7.256 3.179 ( 4.996 3.264 -2.196) 6.359 3.236 ( 3.439 -3.233 0.364) 4.733 3.309 ( 0.578 -1.752 2.066) 2.770 3.321 ( -1.589 -1.608 -5.840) 6.263 3.411 ( 1.228 -0.954 -4.637) 4.891 3.459 ( 0.605 -0.615 -1.874) 2.064 3.625 ( -3.435 -0.218 12.675) 13.134 3.824 ( 1.829 0.561 2.680) 3.293 3.929 ( 1.935 0.418 -2.652) 3.310 4.053 ( -3.696 0.015 -6.816) 7.753 4.164 ( 0.627 -0.910 1.856) 2.160 4.208 ( 2.845 -0.550 -0.935) 3.045 4.218 ( 3.124 -0.974 0.058) 3.273 4.315 ( 3.194 0.199 -0.682) 3.272 4.428 ( 10.839 2.151 -2.599) 11.352 4.509 ( 5.022 -0.294 -0.846) 5.101 4.779 ( 1.309 0.074 -10.366) 10.449 4.794 ( 2.740 -0.387 -14.855) 15.110 5.080 ( -4.067 0.305 15.433) 15.963 5.297 ( -10.928 2.176 9.637) 14.732 5.432 ( 0.527 -0.091 16.736) 16.745 5.465 ( -4.482 0.356 3.363) 5.615 5.563 ( -2.427 0.854 -0.242) 2.584 5.571 ( 1.090 0.795 3.079) 3.362 5.723 ( 2.738 0.531 -5.825) 6.458 5.979 ( 0.479 0.779 1.310) 1.598 6.049 ( -0.233 -0.702 -9.116) 9.146 6.073 ( 1.652 -0.132 -11.013) 11.137 6.175 ( 1.563 -0.183 0.043) 1.574 6.377 ( 0.934 0.260 -7.463) 7.525 6.510 ( -0.078 5.460 11.228) 12.486 6.629 ( -2.481 1.018 7.677) 8.132 6.738 ( 0.873 -1.037 5.564) 5.727 6.766 ( 0.952 0.759 -0.692) 1.400 6.806 ( -0.929 -0.264 -2.448) 2.631 6.929 ( 1.983 -1.370 -3.914) 4.596 7.238 ( 3.929 2.499 -0.722) 4.712 7.269 ( 11.831 2.576 -5.229) 13.189 7.347 ( 6.618 12.191 -0.025) 13.871 7.497 ( -0.217 2.141 -5.790) 6.177 7.542 ( 4.710 -0.857 5.062) 6.968 7.777 ( -0.641 -7.779 -7.041) 10.512 8.320 ( 7.946 0.060 1.586) 8.103 8.400 ( 5.913 -0.220 -1.695) 6.155 8.527 ( -1.835 -1.385 5.068) 5.565 8.607 ( -6.407 -2.757 3.166) 7.660 8.925 ( -19.384 12.253 23.914) 33.133 9.436 ( -14.130 2.855 -10.287) 17.710 9.725 ( -9.495 -0.473 3.470) 10.120 9.784 ( -8.247 -7.902 -0.873) 11.455 10.126 ( 5.976 0.818 -3.053) 6.760 10.161 ( 11.353 0.448 -4.219) 12.120 10.588 ( -3.865 4.086 7.797) 9.614 10.684 ( -6.389 -1.558 1.458) 6.736 11.324 ( 12.517 0.911 2.835) 12.866 11.627 ( 19.881 9.453 -15.581) 26.970 11.789 ( 0.475 -0.915 0.919) 1.381 11.911 ( -0.995 -3.033 -5.398) 6.272 12.107 ( -2.535 2.545 6.249) 7.208 12.259 ( -3.315 9.892 0.513) 10.445 12.300 ( -0.114 -0.652 1.013) 1.210 12.352 ( -0.697 -0.306 -0.665) 1.011 12.917 ( 4.340 -6.150 0.733) 7.563 13.007 ( 0.820 -22.669 -5.876) 23.433 14.093 ( -5.828 0.136 1.774) 6.093 14.107 ( -4.857 -0.418 0.240) 4.881 ======================= Grid point 87 (28/75) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 12.279 -4.534 6.149) 14.462 0.720 ( 12.465 -5.890 6.740) 15.346 1.011 ( 5.399 1.331 -5.574) 7.873 1.063 ( 3.970 -2.122 -6.083) 7.568 1.114 ( 1.793 1.328 -0.390) 2.265 1.178 ( 1.141 -0.675 -1.438) 1.955 1.264 ( 3.464 -1.585 3.511) 5.181 1.399 ( 15.039 -4.669 3.695) 16.175 1.424 ( 9.715 -4.533 3.273) 11.209 1.548 ( 5.608 -2.375 7.459) 9.630 1.642 ( 6.098 -1.538 5.333) 8.246 1.705 ( 1.117 1.063 -3.024) 3.394 1.751 ( 1.565 1.825 1.264) 2.716 1.770 ( 0.623 -0.521 -1.412) 1.629 1.823 ( 1.061 -0.956 -3.279) 3.577 1.875 ( 1.679 1.549 -3.933) 4.549 1.926 ( -2.567 0.309 1.513) 2.996 1.955 ( -1.544 0.452 -0.882) 1.835 1.995 ( -4.539 1.144 0.113) 4.682 2.009 ( -3.586 0.803 1.978) 4.174 2.058 ( -1.036 -0.055 -1.655) 1.953 2.118 ( 1.562 -2.865 -5.044) 6.008 2.147 ( -2.085 0.081 0.301) 2.108 2.194 ( -3.343 -0.576 -1.077) 3.559 2.220 ( -1.710 -0.589 0.078) 1.811 2.250 ( -3.554 -3.618 -0.756) 5.128 2.513 ( -2.011 3.799 0.254) 4.306 2.588 ( -1.717 3.552 -5.074) 6.427 2.763 ( -0.662 1.639 2.363) 2.951 2.783 ( 1.152 1.329 -0.029) 1.760 2.824 ( 5.408 0.496 0.895) 5.504 2.860 ( 1.900 -0.361 1.150) 2.250 2.865 ( 2.907 -1.376 -1.630) 3.606 2.937 ( 1.603 1.124 -2.247) 2.980 2.990 ( 5.675 0.014 3.427) 6.630 3.215 ( 2.706 2.455 -1.387) 3.908 3.216 ( 2.827 1.398 -1.198) 3.374 3.266 ( -0.670 -0.316 -3.083) 3.171 3.319 ( 3.176 -0.393 4.191) 5.273 3.329 ( -0.745 0.301 1.078) 1.345 3.424 ( -0.375 -0.393 -3.889) 3.926 3.476 ( 0.700 -0.879 -0.411) 1.196 3.611 ( 0.630 -0.345 11.225) 11.248 3.853 ( 1.504 0.571 3.909) 4.227 3.924 ( -2.505 0.288 -2.827) 3.788 4.046 ( 3.042 0.117 -6.249) 6.951 4.162 ( -2.263 -1.522 2.278) 3.553 4.267 ( 2.768 -0.960 -1.364) 3.232 4.286 ( 3.234 -1.690 1.071) 3.802 4.372 ( 3.442 -0.739 -1.935) 4.017 4.557 ( 6.726 3.239 -0.507) 7.482 4.612 ( 4.937 -0.095 -2.676) 5.617 4.798 ( 0.380 1.292 -7.152) 7.278 4.845 ( 1.916 -0.396 -11.552) 11.716 5.015 ( -1.752 0.316 9.690) 9.852 5.106 ( -7.797 1.105 10.333) 12.992 5.382 ( -4.376 0.250 -0.512) 4.413 5.386 ( -6.913 0.744 1.548) 7.123 5.498 ( -1.396 1.462 9.992) 10.195 5.584 ( 0.136 0.171 2.428) 2.438 5.805 ( 6.082 0.350 -2.276) 6.503 6.013 ( 4.115 1.850 0.772) 4.577 6.062 ( 0.994 -1.463 -5.979) 6.235 6.098 ( 0.785 -0.439 -7.620) 7.673 6.189 ( 0.243 -0.344 -0.092) 0.431 6.376 ( -1.052 0.292 -8.554) 8.623 6.527 ( 5.076 5.139 7.389) 10.333 6.610 ( 0.494 0.307 5.537) 5.567 6.757 ( -0.126 -1.433 4.140) 4.383 6.777 ( -1.575 -1.860 0.335) 2.460 6.831 ( 5.327 1.255 -2.039) 5.841 6.970 ( 1.513 -0.333 -2.078) 2.592 7.257 ( 1.583 2.836 1.976) 3.802 7.331 ( -0.048 9.475 -0.082) 9.475 7.417 ( 8.054 2.914 -2.426) 8.902 7.478 ( 2.437 0.983 -3.430) 4.321 7.674 ( 7.111 1.213 2.916) 7.780 7.813 ( 0.768 -1.425 -3.005) 3.414 8.478 ( -2.776 -1.231 7.651) 8.232 8.497 ( 2.868 -2.703 2.283) 4.554 8.520 ( 2.905 0.180 2.508) 3.842 8.560 ( 9.627 -1.806 -0.459) 9.806 8.716 ( -1.747 2.831 5.766) 6.657 9.169 ( -13.213 1.964 -13.516) 19.003 9.535 ( -11.008 -1.084 6.135) 12.648 9.662 ( -11.012 -6.383 -2.392) 12.951 10.181 ( 1.454 -0.355 -0.760) 1.679 10.294 ( 3.858 2.632 -7.259) 8.632 10.560 ( 3.442 4.809 6.113) 8.506 10.630 ( -0.475 0.588 2.321) 2.441 11.523 ( 10.018 1.602 4.094) 10.940 11.748 ( 1.372 -0.362 -2.570) 2.935 11.823 ( 2.968 2.235 -3.827) 5.334 11.916 ( -0.460 -1.161 -5.977) 6.106 12.029 ( -3.897 2.112 4.819) 6.548 12.128 ( -3.962 6.272 1.339) 7.539 12.303 ( -0.286 -0.908 0.560) 1.104 12.342 ( -0.522 0.139 -0.763) 0.935 13.078 ( 7.497 -6.825 1.506) 10.249 13.179 ( 3.741 -12.747 -3.360) 13.703 13.984 ( -6.639 -0.083 0.658) 6.672 13.999 ( -7.192 -0.522 -0.125) 7.212 ======================= Grid point 88 (29/75) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 7.315 -3.231 3.602) 8.770 0.986 ( 11.097 -2.924 3.769) 12.079 1.059 ( 2.354 1.202 -1.792) 3.193 1.117 ( 2.326 -0.342 1.832) 2.981 1.148 ( 1.774 -1.384 -2.578) 3.423 1.283 ( 8.364 -1.455 -5.852) 10.311 1.343 ( 5.365 -1.717 2.560) 6.187 1.523 ( 5.704 -1.376 -5.145) 7.804 1.619 ( 4.653 -0.480 2.951) 5.530 1.702 ( 1.054 1.757 0.524) 2.115 1.718 ( -0.022 -0.843 1.457) 1.684 1.727 ( -3.402 0.297 0.265) 3.425 1.748 ( 0.871 -1.489 0.420) 1.775 1.788 ( -0.297 -0.574 1.660) 1.782 1.839 ( -0.861 2.636 -1.346) 3.083 1.848 ( 0.145 -0.890 -0.205) 0.925 1.876 ( -4.223 2.323 1.509) 5.051 1.925 ( -1.661 -1.038 -0.091) 1.961 1.932 ( -2.072 0.509 -0.257) 2.149 1.988 ( 5.772 -1.987 4.394) 7.521 2.009 ( -0.392 -0.659 -2.871) 2.972 2.125 ( -0.684 -2.185 0.435) 2.330 2.141 ( -2.225 -0.241 -0.586) 2.313 2.187 ( 0.748 0.307 1.208) 1.453 2.254 ( 1.160 -5.258 -0.313) 5.394 2.291 ( 7.162 -4.558 -4.023) 9.394 2.455 ( -1.529 2.165 0.134) 2.654 2.527 ( -1.821 4.514 -2.902) 5.667 2.709 ( -2.352 0.685 1.880) 3.088 2.759 ( -1.906 -0.059 -0.189) 1.917 2.867 ( -0.947 -2.305 0.577) 2.558 2.873 ( -0.037 -0.362 0.045) 0.366 2.962 ( 3.758 1.663 -2.432) 4.775 2.988 ( 4.697 1.183 -2.988) 5.691 3.135 ( 7.856 0.934 2.370) 8.259 3.213 ( 0.352 3.498 -0.376) 3.536 3.233 ( 0.448 2.423 -1.208) 2.745 3.283 ( 1.805 -0.514 -0.994) 2.123 3.324 ( 3.214 0.713 -0.732) 3.373 3.403 ( 1.401 -0.069 -1.413) 1.991 3.413 ( 3.518 0.289 1.236) 3.740 3.495 ( 0.782 -1.105 0.443) 1.424 3.641 ( 2.821 0.642 10.272) 10.672 3.843 ( -2.881 0.696 3.041) 4.247 3.878 ( -1.775 -0.207 3.392) 3.834 4.093 ( -5.045 -1.244 0.333) 5.207 4.120 ( 2.757 -0.134 -5.230) 5.914 4.291 ( -1.240 -0.985 -6.308) 6.503 4.362 ( 3.977 -1.013 3.010) 5.090 4.452 ( 3.799 -1.789 -1.431) 4.436 4.638 ( 4.350 2.316 0.471) 4.950 4.658 ( -0.099 0.443 -0.787) 0.909 4.757 ( -2.034 1.596 -2.817) 3.824 4.852 ( -1.038 0.325 -5.541) 5.647 5.015 ( 0.524 0.768 3.413) 3.537 5.045 ( 2.250 -0.371 0.387) 2.313 5.229 ( -7.776 1.296 -1.649) 8.054 5.302 ( -4.252 0.468 -3.656) 5.628 5.487 ( 0.688 0.819 12.690) 12.735 5.571 ( -1.434 -0.145 5.147) 5.345 5.913 ( 5.774 0.485 -0.762) 5.844 6.059 ( 1.623 2.259 -0.762) 2.884 6.099 ( 1.000 -2.339 -4.865) 5.490 6.122 ( 2.294 0.420 -3.571) 4.265 6.207 ( 1.414 -1.137 -1.312) 2.239 6.340 ( -2.181 0.695 -8.039) 8.358 6.580 ( 4.004 2.502 4.501) 6.523 6.637 ( 2.506 0.704 4.050) 4.815 6.753 ( -1.597 -0.945 7.907) 8.122 6.767 ( -0.767 -1.660 -1.090) 2.129 6.916 ( 4.231 1.531 -3.683) 5.814 6.992 ( 1.000 0.008 -1.579) 1.869 7.240 ( -0.611 2.113 2.172) 3.091 7.285 ( -1.157 -0.703 -0.159) 1.363 7.490 ( 3.991 5.158 -3.159) 7.247 7.529 ( 3.717 3.285 -4.095) 6.432 7.776 ( 5.508 1.176 7.000) 8.984 7.844 ( 2.854 1.658 5.144) 6.112 8.435 ( 0.071 -0.781 7.460) 7.501 8.522 ( 0.703 -2.840 -1.595) 3.332 8.583 ( 0.298 1.798 -1.532) 2.381 8.760 ( 8.712 -1.721 -1.765) 9.054 8.794 ( 9.050 0.320 -0.357) 9.062 8.937 ( -10.815 -1.009 -10.577) 15.161 9.377 ( -7.083 -1.392 5.638) 9.159 9.504 ( -10.627 -4.412 -2.026) 11.684 10.201 ( 0.358 -1.166 -0.475) 1.309 10.289 ( -1.414 1.207 -5.105) 5.433 10.598 ( 3.646 4.157 3.296) 6.437 10.629 ( 1.492 3.157 2.462) 4.273 11.655 ( 5.840 0.774 3.045) 6.631 11.759 ( -1.239 -3.347 0.094) 3.570 11.828 ( -1.585 -0.267 -2.211) 2.733 11.885 ( -2.857 3.054 -3.108) 5.210 11.967 ( -0.296 1.234 1.934) 2.313 12.035 ( -2.228 2.909 0.181) 3.669 12.305 ( -0.205 -0.865 0.267) 0.928 12.331 ( -0.466 0.467 -0.697) 0.959 13.280 ( 9.577 -5.008 1.414) 10.900 13.350 ( 6.860 -6.962 -1.670) 9.915 13.851 ( -7.987 0.462 0.272) 8.005 13.862 ( -8.278 0.023 -0.217) 8.281 ======================= Grid point 89 (30/75) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 2.245 -1.581 2.240) 3.543 1.040 ( -0.308 1.470 1.515) 2.133 1.126 ( 2.406 0.170 -1.395) 2.786 1.146 ( 0.021 0.017 -1.331) 1.331 1.297 ( 10.079 -4.624 2.519) 11.372 1.425 ( 3.047 0.469 -2.766) 4.142 1.479 ( 8.353 -0.393 1.536) 8.502 1.591 ( -2.406 -0.172 -1.217) 2.701 1.647 ( -0.271 0.737 -2.840) 2.947 1.647 ( -6.566 -1.273 -0.929) 6.753 1.672 ( 1.559 0.199 0.396) 1.621 1.714 ( 1.127 0.575 -0.354) 1.314 1.753 ( -1.167 -0.357 -0.751) 1.433 1.757 ( -0.864 -1.061 0.791) 1.581 1.792 ( -1.228 3.296 -0.359) 3.536 1.806 ( -2.630 0.436 -1.420) 3.020 1.819 ( -1.342 -0.179 -0.698) 1.524 1.842 ( -3.252 1.705 -1.008) 3.807 1.940 ( 0.843 -1.246 1.601) 2.197 1.965 ( -1.023 0.690 0.860) 1.504 2.099 ( -1.079 -1.836 0.323) 2.154 2.107 ( -0.899 0.461 -0.134) 1.019 2.207 ( 4.050 -0.761 2.556) 4.849 2.228 ( 1.429 -0.687 2.398) 2.875 2.351 ( 5.704 -4.182 2.672) 7.561 2.421 ( 0.727 -1.687 -0.101) 1.839 2.443 ( 1.111 -1.518 -1.567) 2.448 2.464 ( -0.313 3.351 -1.988) 3.909 2.687 ( 1.181 1.672 -1.271) 2.409 2.722 ( -3.008 -1.383 -1.631) 3.690 2.855 ( -1.259 -1.164 0.681) 1.845 2.860 ( -0.745 0.880 0.518) 1.264 3.009 ( 2.331 0.496 -2.970) 3.808 3.026 ( 0.561 0.327 -3.843) 3.897 3.147 ( -1.020 0.597 0.172) 1.194 3.167 ( -2.127 2.599 -0.784) 3.449 3.312 ( 4.146 0.812 1.540) 4.497 3.317 ( 2.860 -0.033 0.376) 2.885 3.361 ( 0.387 0.568 0.740) 1.010 3.401 ( -0.946 -0.103 3.361) 3.493 3.527 ( 5.859 -0.229 -1.232) 5.992 3.553 ( 4.027 -0.831 -4.423) 6.039 3.698 ( 3.750 0.658 7.001) 7.969 3.768 ( -4.067 0.523 4.104) 5.801 3.855 ( 0.441 0.116 8.645) 8.657 3.954 ( -9.461 -1.005 4.787) 10.650 4.187 ( 3.694 0.067 -8.679) 9.432 4.250 ( -3.373 -0.368 -8.919) 9.542 4.440 ( 3.810 -0.700 4.303) 5.790 4.495 ( -1.163 -0.488 3.431) 3.655 4.636 ( 0.250 0.289 -3.634) 3.654 4.657 ( -0.406 1.415 -3.027) 3.366 4.765 ( 2.581 -0.668 -1.767) 3.199 4.818 ( -2.188 0.799 -2.536) 3.443 5.035 ( 2.219 0.413 0.961) 2.453 5.085 ( -1.985 0.722 -2.910) 3.595 5.144 ( 1.794 -1.013 -1.847) 2.767 5.220 ( -4.293 0.866 -5.050) 6.685 5.506 ( 1.833 0.494 11.965) 12.115 5.540 ( -2.118 -0.325 9.352) 9.595 5.995 ( 3.646 0.428 -0.917) 3.784 6.042 ( -1.619 0.703 -1.449) 2.284 6.136 ( 0.591 -2.780 -3.461) 4.478 6.149 ( 1.349 2.059 -2.964) 3.853 6.250 ( 2.039 -0.991 -3.956) 4.559 6.294 ( -2.172 0.846 -6.194) 6.618 6.636 ( 3.502 0.915 3.999) 5.394 6.670 ( 0.450 0.057 2.503) 2.544 6.731 ( -1.305 -2.306 7.202) 7.674 6.754 ( -1.100 1.178 1.633) 2.294 6.962 ( 2.934 1.791 -4.388) 5.574 6.994 ( -1.149 -0.235 -3.096) 3.310 7.240 ( -0.294 -3.509 1.112) 3.692 7.266 ( -0.820 1.308 -0.296) 1.572 7.513 ( 2.844 3.292 -1.769) 4.697 7.540 ( -0.080 2.016 -1.448) 2.484 7.850 ( 3.054 0.363 8.539) 9.076 7.872 ( 0.721 0.614 8.565) 8.617 8.486 ( 4.746 0.793 1.710) 5.107 8.551 ( -2.039 -0.454 -3.984) 4.498 8.584 ( 2.872 -2.327 -4.518) 5.837 8.702 ( -8.012 2.005 -6.490) 10.504 8.931 ( 4.228 -1.738 -0.032) 4.571 8.944 ( 3.379 -0.322 -0.784) 3.484 9.316 ( -0.327 -0.453 2.721) 2.777 9.369 ( -6.529 -1.947 -0.137) 6.814 10.219 ( 0.816 -1.012 -1.333) 1.862 10.249 ( -1.933 0.491 -2.873) 3.498 10.618 ( 1.514 2.027 2.173) 3.335 10.628 ( 0.310 1.552 2.095) 2.626 11.732 ( 3.153 -0.610 1.542) 3.563 11.765 ( -0.647 -3.193 0.295) 3.271 11.787 ( -2.285 0.388 -0.232) 2.329 11.805 ( -2.240 3.511 -0.262) 4.173 11.975 ( 1.094 0.343 -0.412) 1.218 11.995 ( -1.084 0.689 -0.745) 1.484 12.310 ( 0.046 -0.813 -0.083) 0.818 12.319 ( -0.315 0.695 -0.439) 0.880 13.491 ( 10.162 -3.015 0.860) 10.634 13.529 ( 8.258 -3.723 -0.814) 9.095 13.687 ( -9.380 1.455 0.428) 9.502 13.703 ( -8.575 1.523 -0.276) 8.714 ======================= Grid point 95 (31/75) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 15.124 -0.000 7.514) 16.887 0.670 ( 12.327 -0.000 7.400) 14.377 1.028 ( 6.996 -0.000 -6.213) 9.357 1.040 ( 3.497 -0.000 -8.147) 8.865 1.130 ( 2.745 -0.000 -1.772) 3.267 1.169 ( -1.097 0.000 -0.426) 1.177 1.246 ( 7.897 -0.000 5.273) 9.495 1.354 ( 17.982 -0.000 12.020) 21.629 1.396 ( 5.830 -0.000 -2.842) 6.486 1.532 ( 4.514 -0.000 8.122) 9.292 1.630 ( 6.687 -0.000 4.763) 8.210 1.714 ( 1.997 -0.000 -3.201) 3.773 1.757 ( 1.171 -0.000 -0.962) 1.515 1.777 ( 1.067 -0.000 0.824) 1.348 1.810 ( 1.813 -0.000 -4.723) 5.059 1.896 ( 2.180 -0.000 -4.268) 4.792 1.928 ( -3.189 0.000 1.842) 3.683 1.950 ( -1.292 0.000 -0.311) 1.329 2.002 ( -5.495 0.000 -0.302) 5.504 2.033 ( -3.716 0.000 0.391) 3.736 2.052 ( -2.131 0.000 2.575) 3.343 2.089 ( 3.267 -0.000 -6.368) 7.157 2.159 ( -4.360 0.000 -1.898) 4.755 2.171 ( -2.460 0.000 0.812) 2.590 2.220 ( -4.205 0.000 -0.798) 4.280 2.224 ( -1.832 0.000 -0.670) 1.951 2.551 ( -3.178 0.000 -0.091) 3.180 2.616 ( -1.168 0.000 -4.516) 4.665 2.785 ( 0.000 -0.000 0.356) 0.356 2.787 ( -1.344 0.000 2.000) 2.410 2.829 ( 3.605 -0.000 0.078) 3.606 2.835 ( 0.400 -0.000 -0.194) 0.445 2.867 ( 5.463 -0.000 1.279) 5.611 2.945 ( 1.874 -0.000 -1.387) 2.331 2.992 ( 6.480 -0.000 1.746) 6.711 3.230 ( 0.163 -0.000 -8.819) 8.820 3.233 ( 3.806 -0.000 2.493) 4.550 3.268 ( 2.478 -0.000 3.108) 3.975 3.308 ( 0.031 -0.000 -2.666) 2.666 3.333 ( 2.209 -0.000 5.209) 5.658 3.420 ( 0.189 -0.000 -4.215) 4.220 3.468 ( 0.505 -0.000 0.210) 0.547 3.609 ( 1.277 -0.000 11.545) 11.616 3.858 ( 1.384 -0.000 4.012) 4.244 3.926 ( -2.722 0.000 -3.140) 4.156 4.047 ( 3.091 -0.000 -6.053) 6.797 4.150 ( -2.116 0.000 2.235) 3.078 4.259 ( 2.538 -0.000 -1.869) 3.152 4.272 ( 3.813 -0.000 1.736) 4.190 4.366 ( 2.979 -0.000 -1.919) 3.543 4.587 ( 5.818 -0.000 -3.847) 6.975 4.608 ( 4.967 -0.000 -1.490) 5.186 4.813 ( 1.640 -0.000 -7.876) 8.045 4.839 ( 1.692 -0.000 -10.699) 10.832 5.018 ( -1.829 0.000 10.326) 10.486 5.115 ( -8.650 0.000 10.806) 13.842 5.384 ( -4.407 0.000 -0.264) 4.415 5.391 ( -6.240 0.000 3.235) 7.029 5.511 ( -2.026 0.000 9.046) 9.270 5.586 ( -0.039 0.000 1.793) 1.794 5.808 ( 5.985 -0.000 -2.762) 6.592 6.029 ( 4.548 -0.000 0.490) 4.574 6.050 ( 0.815 -0.000 -5.403) 5.465 6.094 ( 0.487 -0.000 -7.422) 7.438 6.186 ( 0.107 -0.000 0.190) 0.218 6.378 ( -1.006 0.000 -8.632) 8.690 6.572 ( 2.782 -0.000 5.979) 6.595 6.623 ( 2.577 -0.000 7.347) 7.786 6.726 ( -1.496 0.000 -0.136) 1.502 6.768 ( -0.853 0.000 4.771) 4.846 6.844 ( 4.468 -0.000 -2.454) 5.097 6.966 ( 2.299 -0.000 -3.982) 4.598 7.276 ( -0.953 0.000 3.113) 3.256 7.428 ( 0.691 -0.000 -4.678) 4.729 7.461 ( 1.178 -0.000 -0.484) 1.274 7.467 ( 4.889 -0.000 -3.618) 6.082 7.723 ( 8.215 -0.000 0.686) 8.244 7.745 ( 2.727 -0.000 2.468) 3.678 8.457 ( -5.487 0.000 6.855) 8.781 8.472 ( 2.323 -0.000 0.830) 2.467 8.532 ( 9.194 -0.000 1.557) 9.325 8.549 ( 9.310 -0.000 -0.084) 9.310 8.743 ( -6.093 0.000 8.367) 10.351 9.186 ( -14.377 0.000 -12.507) 19.055 9.529 ( -11.373 0.000 5.482) 12.626 9.602 ( -8.912 0.000 -1.015) 8.969 10.178 ( 1.048 -0.000 -0.397) 1.121 10.316 ( 3.409 -0.000 -8.474) 9.134 10.619 ( 3.023 -0.000 3.514) 4.636 10.621 ( 0.897 -0.000 5.041) 5.120 11.539 ( 9.841 -0.000 4.819) 10.957 11.731 ( -1.248 0.000 0.664) 1.414 11.862 ( -2.248 0.000 -4.130) 4.702 11.898 ( 4.592 -0.000 -10.957) 11.880 12.048 ( -4.619 0.000 5.584) 7.246 12.198 ( -6.625 0.000 -0.769) 6.670 12.296 ( -0.115 0.000 1.055) 1.061 12.342 ( -0.243 0.000 -0.904) 0.936 13.016 ( 9.116 -0.000 0.684) 9.142 13.053 ( 9.865 -0.000 -1.090) 9.925 13.983 ( -6.496 0.000 0.575) 6.522 13.995 ( -7.067 0.000 -0.075) 7.067 ======================= Grid point 96 (32/75) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 8.773 -1.293 4.352) 9.878 0.950 ( 15.333 -1.308 5.031) 16.190 1.079 ( 1.220 1.286 -1.320) 2.210 1.100 ( 1.700 -1.445 -1.385) 2.626 1.151 ( -0.162 0.781 -0.941) 1.233 1.261 ( 9.533 -0.993 -7.605) 12.235 1.330 ( 6.196 -0.199 2.510) 6.688 1.507 ( 6.000 -0.577 -4.984) 7.822 1.613 ( 5.529 -0.203 5.053) 7.493 1.696 ( 6.469 -1.242 4.955) 8.243 1.705 ( 1.543 -1.094 1.774) 2.593 1.730 ( -1.115 0.842 -1.085) 1.769 1.741 ( -3.336 -0.242 -0.446) 3.374 1.790 ( -1.586 0.536 1.139) 2.025 1.829 ( 3.594 -0.493 0.509) 3.663 1.870 ( -3.412 0.642 -2.005) 4.009 1.909 ( -1.529 0.832 1.030) 2.023 1.916 ( -2.385 0.478 -0.234) 2.444 1.961 ( -0.909 2.058 -0.706) 2.358 1.969 ( 6.336 0.114 2.168) 6.698 2.006 ( -3.286 -0.991 -2.452) 4.218 2.090 ( -2.767 -1.517 1.329) 3.424 2.113 ( -4.083 -2.056 0.101) 4.573 2.196 ( 0.918 -1.378 0.761) 1.822 2.202 ( 1.249 0.430 -0.411) 1.383 2.237 ( 8.249 -2.166 -5.571) 10.187 2.488 ( -2.760 1.469 0.701) 3.204 2.587 ( -1.782 2.613 -3.059) 4.400 2.716 ( -2.639 0.230 1.349) 2.972 2.747 ( -3.622 -1.133 0.078) 3.796 2.842 ( -0.410 -0.631 0.983) 1.238 2.859 ( 0.612 -0.887 -0.459) 1.171 2.984 ( 2.925 1.007 -1.529) 3.451 2.998 ( 4.622 0.083 -2.108) 5.080 3.145 ( 7.678 0.296 0.851) 7.731 3.245 ( 0.026 0.804 -4.561) 4.632 3.273 ( 0.658 1.183 1.176) 1.793 3.280 ( 2.300 1.329 0.300) 2.674 3.326 ( 2.423 -0.816 -1.535) 2.982 3.402 ( 5.335 0.280 4.056) 6.708 3.421 ( 0.398 0.182 -2.894) 2.927 3.478 ( 0.586 -0.737 0.232) 0.970 3.650 ( 3.246 0.416 10.926) 11.406 3.856 ( -2.396 0.916 4.008) 4.758 3.870 ( -2.499 -0.718 2.808) 3.827 4.078 ( -5.538 -0.579 0.942) 5.648 4.121 ( 3.624 0.081 -6.075) 7.074 4.278 ( -0.882 -0.540 -6.702) 6.782 4.351 ( 4.474 -0.378 2.857) 5.322 4.432 ( 3.874 -0.728 -1.627) 4.265 4.649 ( -0.255 0.094 -0.686) 0.738 4.672 ( 4.066 0.516 -0.937) 4.204 4.791 ( -3.239 1.928 -3.175) 4.929 4.852 ( -0.290 -0.259 -3.957) 3.976 5.025 ( 0.189 0.592 3.866) 3.916 5.037 ( 2.025 -0.648 0.954) 2.330 5.244 ( -8.315 0.514 -1.616) 8.486 5.307 ( -4.123 0.140 -2.775) 4.972 5.498 ( 0.442 0.463 12.326) 12.342 5.570 ( -1.585 -0.049 3.747) 4.069 5.920 ( 6.125 0.304 -1.921) 6.426 6.071 ( 0.703 -0.967 -2.119) 2.433 6.085 ( -0.524 0.899 -4.029) 4.162 6.127 ( 4.991 0.125 -1.830) 5.318 6.192 ( 0.681 -0.627 0.034) 0.927 6.346 ( -2.212 0.159 -8.380) 8.668 6.600 ( 2.022 0.324 2.362) 3.126 6.673 ( 1.213 3.227 1.805) 3.891 6.734 ( 2.709 -2.569 3.165) 4.895 6.743 ( -2.150 -0.367 8.189) 8.475 6.927 ( 4.200 0.063 -2.923) 5.118 7.001 ( 1.587 0.814 -4.809) 5.129 7.236 ( -3.255 -1.295 2.164) 4.118 7.308 ( -6.309 2.109 -0.500) 6.671 7.542 ( 3.806 1.408 -3.941) 5.656 7.563 ( 4.717 1.263 -2.669) 5.565 7.803 ( 4.566 2.337 7.622) 9.187 7.844 ( 3.714 -1.725 7.205) 8.288 8.415 ( 0.621 -1.090 5.337) 5.483 8.490 ( 1.311 -1.147 -1.920) 2.593 8.648 ( -0.311 5.299 -1.019) 5.405 8.738 ( 10.112 -0.681 -0.006) 10.135 8.770 ( 9.902 -3.561 -0.941) 10.565 8.930 ( -13.398 -0.048 -10.725) 17.162 9.360 ( -7.018 -0.659 5.144) 8.726 9.449 ( -8.754 -2.076 -0.840) 9.036 10.191 ( 0.650 -0.259 -0.066) 0.703 10.308 ( -2.002 0.834 -6.480) 6.833 10.656 ( 2.725 2.654 3.328) 5.054 10.668 ( 2.004 1.337 2.576) 3.527 11.667 ( 4.783 0.648 3.486) 5.954 11.712 ( -1.372 -2.086 1.180) 2.762 11.824 ( -1.664 -0.129 -2.513) 3.017 11.931 ( -0.840 2.386 -4.571) 5.225 11.968 ( -2.764 -0.900 2.313) 3.715 12.078 ( -5.056 1.950 -0.609) 5.453 12.296 ( 0.001 -0.231 0.773) 0.807 12.337 ( -0.270 0.245 -0.879) 0.951 13.217 ( 11.331 -2.624 0.881) 11.664 13.260 ( 10.658 -3.549 -1.041) 11.281 13.855 ( -7.679 0.134 0.176) 7.683 13.862 ( -7.545 0.035 -0.134) 7.546 ======================= Grid point 97 (33/75) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 3.185 -0.927 3.088) 4.532 1.067 ( -0.323 1.807 1.020) 2.100 1.124 ( 1.612 -0.445 -1.954) 2.572 1.144 ( -0.676 -0.305 -1.198) 1.409 1.241 ( 12.929 -2.398 3.796) 13.687 1.429 ( 6.940 -0.243 -3.006) 7.567 1.483 ( 10.000 1.047 -1.282) 10.136 1.594 ( -0.482 0.554 -2.217) 2.335 1.630 ( -6.496 -0.815 -0.433) 6.561 1.643 ( -1.285 -0.970 -2.034) 2.594 1.680 ( -1.125 0.723 1.339) 1.893 1.708 ( -0.758 -1.065 0.388) 1.364 1.745 ( -1.056 -0.288 -1.155) 1.591 1.761 ( 0.504 1.021 2.577) 2.817 1.812 ( -2.417 0.573 -2.384) 3.443 1.818 ( -1.881 0.309 -0.035) 1.907 1.848 ( -2.615 2.546 -1.112) 3.815 1.879 ( -1.946 2.533 -0.753) 3.282 1.926 ( 0.163 -0.388 1.624) 1.678 1.980 ( -0.273 1.436 0.190) 1.474 2.051 ( -2.606 -3.028 1.142) 4.155 2.087 ( -0.037 -3.423 -1.075) 3.588 2.204 ( 5.575 0.273 2.153) 5.983 2.224 ( 2.300 0.291 2.069) 3.108 2.280 ( 9.112 -4.405 2.906) 10.529 2.392 ( 4.416 -1.802 -1.150) 4.906 2.439 ( -1.380 0.580 0.313) 1.529 2.518 ( -1.719 3.377 -1.756) 4.177 2.692 ( -3.491 -2.153 -1.058) 4.236 2.709 ( 1.338 0.836 -2.407) 2.878 2.834 ( -0.976 -0.946 1.234) 1.836 2.866 ( -0.169 -0.213 -0.729) 0.778 3.016 ( 1.346 0.629 -2.524) 2.928 3.029 ( -0.466 0.038 -3.239) 3.272 3.159 ( -2.889 0.787 0.494) 3.035 3.203 ( -2.704 1.588 -1.800) 3.616 3.307 ( 1.505 -0.088 -0.207) 1.522 3.341 ( 4.770 1.717 2.670) 5.730 3.368 ( 0.820 0.237 0.897) 1.238 3.401 ( -2.584 -0.047 3.841) 4.630 3.523 ( 6.373 -0.286 -1.567) 6.569 3.538 ( 4.292 -0.850 -4.828) 6.516 3.712 ( 3.558 0.925 7.434) 8.293 3.782 ( -4.003 1.075 4.353) 6.011 3.850 ( 0.999 -0.601 8.714) 8.792 3.939 ( -9.340 -0.825 4.108) 10.237 4.189 ( 3.726 0.100 -8.400) 9.190 4.244 ( -2.892 -0.353 -9.618) 10.050 4.432 ( 4.093 -0.338 4.117) 5.815 4.488 ( 0.722 -0.376 2.424) 2.557 4.624 ( -1.661 -0.784 -1.588) 2.428 4.697 ( -1.366 2.430 -3.320) 4.335 4.756 ( 2.402 -0.473 -2.036) 3.184 4.829 ( -2.168 0.547 -2.473) 3.334 5.040 ( 1.630 0.267 1.030) 1.947 5.094 ( -1.121 0.376 -3.533) 3.725 5.129 ( -0.010 -0.738 -1.137) 1.356 5.231 ( -4.134 0.457 -4.386) 6.044 5.514 ( 1.665 0.576 11.460) 11.595 5.537 ( -2.035 -0.168 8.893) 9.124 6.007 ( 3.568 1.089 -2.001) 4.233 6.052 ( -2.435 0.417 -2.355) 3.413 6.089 ( -0.002 -2.755 -1.304) 3.048 6.183 ( 2.164 1.972 -2.542) 3.877 6.232 ( 2.256 -1.325 -3.205) 4.137 6.302 ( -2.338 0.278 -6.864) 7.257 6.648 ( 3.001 0.688 1.417) 3.389 6.669 ( 0.027 -0.198 1.301) 1.316 6.700 ( -2.523 -1.463 8.184) 8.688 6.786 ( 2.176 2.453 4.008) 5.179 6.986 ( 1.700 -0.180 -3.112) 3.551 6.998 ( -0.572 1.941 -5.462) 5.825 7.182 ( -3.925 -3.282 1.662) 5.379 7.238 ( -1.555 -3.552 -0.736) 3.947 7.560 ( -1.809 2.956 0.142) 3.469 7.588 ( 1.085 2.492 -2.374) 3.609 7.838 ( 0.267 -0.689 9.226) 9.256 7.903 ( 2.475 1.865 8.851) 9.378 8.486 ( 5.243 -0.532 0.201) 5.274 8.534 ( 1.824 -1.998 -4.806) 5.515 8.591 ( -1.905 3.565 -3.733) 5.503 8.710 ( -8.667 -1.176 -6.234) 10.741 8.903 ( 5.361 -1.409 0.723) 5.589 8.945 ( 5.915 0.073 -1.120) 6.020 9.303 ( 0.370 -0.935 2.342) 2.549 9.336 ( -4.948 -1.877 0.520) 5.318 10.214 ( 2.037 0.181 -0.886) 2.229 10.268 ( -1.085 1.452 -3.719) 4.137 10.652 ( -1.237 2.117 2.607) 3.579 10.664 ( -0.607 2.450 1.760) 3.077 11.710 ( 0.502 -2.171 0.679) 2.330 11.726 ( 1.089 -1.337 0.980) 1.983 11.798 ( -1.409 0.747 0.637) 1.717 11.860 ( -2.126 3.451 0.279) 4.062 11.964 ( -0.343 -1.541 -1.564) 2.223 12.000 ( -2.906 -0.060 -1.095) 3.106 12.300 ( 0.235 -0.359 0.444) 0.618 12.330 ( -0.178 0.566 -0.743) 0.950 13.445 ( 11.508 -2.565 0.699) 11.812 13.477 ( 10.647 -2.616 -0.675) 10.985 13.704 ( -8.697 0.746 0.518) 8.744 13.724 ( -7.389 1.010 -0.343) 7.466 ======================= Grid point 98 (34/75) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.147 -0.649 2.060) 2.164 1.038 ( -1.001 1.753 1.621) 2.589 1.118 ( -2.855 -0.816 -0.993) 3.131 1.144 ( 0.275 -0.197 -1.534) 1.571 1.376 ( -7.557 5.215 1.391) 9.287 1.428 ( 1.031 0.904 -0.187) 1.384 1.483 ( -5.888 -0.153 2.241) 6.302 1.597 ( 1.714 0.415 -0.605) 1.864 1.629 ( 0.903 -1.259 -0.914) 1.799 1.662 ( -2.035 -1.452 -0.038) 2.501 1.667 ( 6.309 1.125 -1.641) 6.615 1.706 ( -2.528 -0.316 -5.233) 5.820 1.738 ( 0.922 -2.006 0.001) 2.207 1.749 ( 0.438 -1.610 -0.275) 1.691 1.786 ( -0.289 1.744 -0.974) 2.018 1.818 ( 2.895 1.374 -2.909) 4.328 1.823 ( -0.177 0.629 1.299) 1.455 1.842 ( 2.839 1.936 0.393) 3.459 1.953 ( 1.535 -0.606 1.570) 2.277 1.963 ( -0.045 1.425 1.527) 2.089 2.057 ( 0.130 -4.138 1.634) 4.450 2.117 ( 1.423 -0.750 -1.390) 2.126 2.222 ( -1.541 0.671 1.259) 2.100 2.243 ( -0.481 1.387 1.929) 2.424 2.398 ( -1.789 1.948 2.396) 3.568 2.420 ( -0.650 -1.736 -1.121) 2.167 2.439 ( 3.111 0.435 0.523) 3.184 2.486 ( -1.970 3.261 -2.615) 4.621 2.656 ( -1.041 -2.210 0.380) 2.473 2.739 ( 1.990 0.899 -1.484) 2.640 2.835 ( 0.291 -1.515 0.850) 1.761 2.872 ( 1.533 0.432 -1.590) 2.250 2.996 ( -3.104 -1.041 -2.680) 4.231 3.017 ( -1.857 -0.882 -3.527) 4.082 3.128 ( -0.170 -1.236 0.775) 1.469 3.155 ( -0.915 0.471 -0.364) 1.092 3.292 ( -6.858 -0.927 4.571) 8.293 3.333 ( -1.399 1.240 -1.567) 2.440 3.351 ( 0.642 -0.708 -0.285) 0.997 3.406 ( -0.041 0.464 3.386) 3.418 3.529 ( -4.962 -0.052 -0.916) 5.046 3.559 ( -4.025 0.029 -4.040) 5.703 3.694 ( -4.569 0.169 6.360) 7.833 3.768 ( 4.058 0.538 3.855) 5.623 3.847 ( 0.040 -0.784 8.125) 8.163 3.967 ( 9.914 0.557 5.014) 11.124 4.187 ( -3.535 -0.028 -9.221) 9.875 4.255 ( 3.674 0.242 -8.450) 9.217 4.453 ( -3.310 0.958 4.643) 5.782 4.501 ( 2.916 0.142 4.430) 5.305 4.603 ( -2.434 -2.207 -2.370) 4.052 4.670 ( 0.037 1.464 -5.837) 6.018 4.775 ( -2.845 0.524 -1.714) 3.363 4.806 ( 2.151 -0.659 -2.732) 3.539 5.028 ( -3.028 -0.392 0.875) 3.176 5.074 ( 1.454 -0.619 -2.516) 2.971 5.158 ( -2.456 0.745 -2.052) 3.286 5.206 ( 4.463 -0.920 -5.449) 7.103 5.500 ( -1.909 -0.282 12.603) 12.750 5.548 ( 2.172 0.665 9.769) 10.030 5.992 ( -4.001 -0.031 -0.243) 4.009 6.032 ( -0.098 -0.615 -0.503) 0.801 6.110 ( -0.287 -2.254 -4.034) 4.630 6.183 ( -0.220 2.765 -4.665) 5.427 6.260 ( -1.858 0.279 -4.648) 5.014 6.277 ( 1.724 -1.249 -5.553) 5.947 6.621 ( -4.514 -0.917 7.112) 8.473 6.670 ( -0.113 0.089 3.279) 3.282 6.737 ( 3.182 -0.292 0.712) 3.274 6.784 ( 1.074 3.592 4.596) 5.931 6.940 ( -4.114 -0.941 -4.523) 6.186 7.001 ( -0.107 0.574 -2.819) 2.878 7.194 ( 0.512 -6.780 1.325) 6.927 7.263 ( 0.616 -1.348 -1.563) 2.154 7.461 ( -6.341 -1.743 0.359) 6.586 7.556 ( -3.130 2.523 -2.389) 4.677 7.820 ( -3.692 -2.031 10.095) 10.939 7.897 ( -1.356 2.166 6.422) 6.912 8.468 ( -4.751 -1.126 1.484) 5.103 8.571 ( 1.942 1.691 -4.066) 4.813 8.617 ( -2.407 1.432 -4.651) 5.429 8.659 ( 6.986 -2.976 -5.584) 9.425 8.942 ( -1.474 0.537 -0.502) 1.647 8.967 ( -2.393 1.645 -0.908) 3.043 9.314 ( 1.584 -0.532 3.300) 3.699 9.387 ( 8.129 0.333 -0.597) 8.158 10.248 ( 0.508 2.512 -1.861) 3.167 10.260 ( 3.197 1.635 -2.258) 4.242 10.595 ( -3.821 -0.880 2.857) 4.851 10.621 ( -2.652 0.376 1.682) 3.163 11.732 ( -3.343 -0.540 1.116) 3.566 11.755 ( 2.517 -2.843 -0.044) 3.798 11.782 ( 2.344 0.135 1.021) 2.560 11.821 ( 0.434 3.452 -0.484) 3.513 11.958 ( -2.479 -1.469 -0.540) 2.932 11.975 ( -0.202 -2.011 -1.138) 2.319 12.310 ( 0.522 -0.383 0.049) 0.649 12.323 ( 0.064 0.778 -0.469) 0.911 13.532 ( -8.829 2.231 1.142) 9.178 13.581 ( -6.606 2.741 -0.972) 7.217 13.661 ( 10.271 -1.720 0.494) 10.426 13.681 ( 10.175 -1.219 -0.371) 10.254 ======================= Grid point 99 (35/75) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -4.914 3.366 2.161) 6.336 1.016 ( -2.887 0.783 3.076) 4.291 1.045 ( -5.129 -0.643 -1.535) 5.392 1.128 ( -2.038 1.477 0.400) 2.548 1.197 ( -5.266 4.894 0.448) 7.203 1.302 ( -7.490 1.051 -0.651) 7.592 1.385 ( -4.884 3.494 -0.875) 6.069 1.544 ( -5.522 1.060 -5.292) 7.721 1.622 ( -3.447 -0.538 1.789) 3.920 1.662 ( -2.735 -2.486 -0.539) 3.735 1.711 ( 3.970 -0.638 -0.057) 4.022 1.745 ( -0.945 -2.121 -0.919) 2.498 1.753 ( 1.341 2.072 2.006) 3.180 1.788 ( 2.655 -2.490 0.610) 3.691 1.805 ( 1.188 0.989 1.401) 2.086 1.841 ( 2.443 -1.176 0.690) 2.798 1.859 ( 3.375 0.059 -2.056) 3.952 1.941 ( 5.304 1.182 -1.146) 5.554 1.958 ( 1.643 2.551 0.433) 3.065 1.989 ( 2.147 -0.365 -0.998) 2.396 2.085 ( -9.039 6.478 4.184) 11.882 2.108 ( 1.255 -2.436 1.146) 2.970 2.151 ( 0.076 0.518 -1.141) 1.255 2.188 ( -2.058 -0.115 0.546) 2.133 2.343 ( -0.419 5.590 0.358) 5.617 2.363 ( -5.551 4.046 -2.833) 7.430 2.435 ( -0.300 -0.404 -0.419) 0.655 2.464 ( 1.081 -2.865 -3.259) 4.472 2.694 ( 2.483 -1.323 2.776) 3.953 2.754 ( 0.267 -0.415 0.392) 0.629 2.857 ( -0.011 -1.824 0.022) 1.824 2.902 ( 1.343 1.314 -1.475) 2.388 2.935 ( -4.948 -1.780 -2.619) 5.875 2.965 ( -5.008 -1.674 -2.949) 6.048 3.116 ( -7.548 -1.556 4.401) 8.875 3.155 ( -1.015 -3.702 0.811) 3.923 3.195 ( 0.223 -2.271 0.470) 2.330 3.293 ( -2.509 0.767 -2.179) 3.411 3.320 ( -4.902 0.258 -2.035) 5.314 3.391 ( 1.574 -1.045 -3.444) 3.928 3.422 ( -5.460 0.784 3.212) 6.383 3.506 ( -0.835 0.271 1.421) 1.671 3.634 ( -2.127 -0.174 8.825) 9.080 3.837 ( 2.877 -0.015 2.283) 3.673 3.876 ( 1.553 -0.364 3.367) 3.725 4.107 ( 0.144 0.305 -4.778) 4.789 4.131 ( 2.759 1.279 -0.314) 3.057 4.304 ( 1.534 0.622 -5.765) 5.997 4.381 ( -3.424 1.290 3.275) 4.911 4.483 ( -3.726 2.099 -1.044) 4.402 4.584 ( -4.001 -3.739 2.988) 6.238 4.660 ( -0.411 0.353 -3.135) 3.182 4.747 ( 0.984 0.033 -3.355) 3.497 4.844 ( 1.376 -0.686 -5.936) 6.132 5.002 ( -0.305 -0.868 3.143) 3.275 5.046 ( -2.878 -0.214 -0.671) 2.963 5.207 ( 6.594 -1.326 -1.318) 6.854 5.293 ( 4.470 -0.723 -4.805) 6.603 5.476 ( -0.967 -0.571 13.952) 13.998 5.576 ( 1.367 0.583 6.368) 6.539 5.907 ( -5.584 -0.286 0.555) 5.618 6.019 ( -2.914 -2.792 0.758) 4.106 6.112 ( -0.577 -0.707 -5.569) 5.643 6.140 ( -1.774 2.690 -6.211) 6.997 6.222 ( -1.777 0.756 -2.810) 3.410 6.323 ( 2.026 -1.489 -7.208) 7.634 6.540 ( -5.798 -2.211 7.178) 9.489 6.644 ( -1.664 1.162 4.427) 4.870 6.769 ( 0.577 0.888 4.987) 5.098 6.791 ( 1.234 1.682 -1.324) 2.470 6.886 ( -2.892 -2.066 -3.020) 4.664 6.990 ( -1.153 -0.605 -0.867) 1.565 7.214 ( -5.123 -0.697 3.456) 6.219 7.274 ( 2.238 -3.785 0.499) 4.426 7.413 ( -5.369 -3.625 -4.830) 8.080 7.465 ( -3.931 -4.183 -4.312) 7.180 7.748 ( -5.269 -2.783 7.810) 9.824 7.826 ( -5.247 0.232 3.160) 6.129 8.429 ( -0.289 -1.259 7.970) 8.075 8.570 ( 0.003 3.084 -1.633) 3.489 8.590 ( 0.801 1.711 -2.256) 2.942 8.738 ( -4.917 -3.657 -2.576) 6.648 8.822 ( -9.247 3.321 -0.475) 9.837 8.957 ( 6.913 1.527 -9.908) 12.177 9.397 ( 7.604 1.061 6.502) 10.061 9.565 ( 12.381 2.969 -3.246) 13.140 10.231 ( -0.381 2.682 -1.021) 2.895 10.287 ( 0.476 1.321 -3.395) 3.674 10.541 ( -4.197 -3.146 3.325) 6.210 10.584 ( -1.336 -2.463 2.429) 3.709 11.644 ( -6.630 -0.615 2.716) 7.192 11.791 ( -2.101 -0.200 -3.667) 4.231 11.837 ( 2.984 1.475 -0.265) 3.339 11.852 ( 5.002 -0.763 -0.611) 5.097 11.935 ( -0.529 -2.491 2.319) 3.444 11.995 ( 0.579 -2.500 -0.627) 2.642 12.319 ( 0.320 0.798 -0.162) 0.875 12.325 ( 0.717 -0.161 -0.290) 0.790 13.356 ( -7.612 4.488 1.977) 9.056 13.447 ( -4.488 5.152 -1.996) 7.119 13.842 ( 8.751 -0.606 0.472) 8.784 13.861 ( 9.152 -0.043 -0.376) 9.160 ======================= Grid point 100 (36/75) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -9.443 6.549 4.687) 12.411 0.835 ( -9.942 8.316 4.226) 13.632 0.994 ( -3.509 -0.654 -1.991) 4.087 1.080 ( -2.318 -0.320 2.596) 3.495 1.119 ( -2.721 2.347 -5.116) 6.252 1.190 ( -3.236 1.027 -1.133) 3.579 1.288 ( -3.380 1.814 0.258) 3.845 1.445 ( -4.316 2.145 -5.813) 7.551 1.524 ( -7.642 4.607 5.026) 10.241 1.614 ( -10.106 2.501 4.712) 11.427 1.666 ( -3.996 3.566 5.190) 7.458 1.701 ( -3.090 2.343 1.381) 4.116 1.735 ( -1.232 0.395 -0.359) 1.343 1.769 ( -1.564 -1.019 0.185) 1.876 1.824 ( -0.802 0.542 -2.642) 2.814 1.872 ( 1.456 0.176 -1.546) 2.131 1.912 ( 2.137 -1.891 2.328) 3.683 1.940 ( 1.970 -0.378 -1.145) 2.310 1.983 ( 1.956 0.447 0.196) 2.016 2.011 ( 2.657 0.524 1.063) 2.909 2.059 ( 0.679 0.051 -2.383) 2.478 2.130 ( 2.526 -0.246 -0.604) 2.609 2.168 ( 2.027 -2.760 -0.290) 3.437 2.186 ( -1.411 2.944 -4.206) 5.325 2.257 ( 0.793 3.381 0.261) 3.483 2.316 ( 1.928 4.422 -0.665) 4.870 2.460 ( 1.220 -2.556 0.119) 2.835 2.518 ( 1.383 -5.008 -5.529) 7.587 2.736 ( -0.553 -1.932 2.376) 3.112 2.757 ( -2.521 -1.850 0.056) 3.127 2.798 ( -6.900 -2.484 1.066) 7.411 2.849 ( -5.180 -1.789 -1.003) 5.571 2.889 ( -1.218 1.240 -0.957) 1.984 2.921 ( -0.438 -0.597 -2.093) 2.220 2.990 ( -4.149 -0.267 5.139) 6.610 3.165 ( -2.513 -3.601 1.162) 4.542 3.195 ( -2.895 -1.582 -1.689) 3.706 3.268 ( 1.507 -0.247 -5.637) 5.840 3.308 ( 1.504 -1.876 1.737) 2.966 3.329 ( -3.766 0.682 4.944) 6.252 3.427 ( 1.372 -0.106 -3.716) 3.963 3.492 ( -0.416 1.126 -0.957) 1.535 3.621 ( 0.793 0.925 10.025) 10.099 3.844 ( -1.662 -0.473 3.484) 3.889 3.917 ( 1.916 -0.554 -2.157) 2.938 4.046 ( -2.781 0.137 -6.695) 7.251 4.191 ( 2.420 2.051 2.117) 3.814 4.284 ( -2.728 1.151 -1.100) 3.158 4.318 ( -2.304 2.070 0.398) 3.123 4.386 ( -4.883 0.964 -2.004) 5.366 4.501 ( -7.335 -3.416 3.692) 8.894 4.609 ( -5.096 -0.460 -2.796) 5.831 4.785 ( 1.036 -0.227 -7.128) 7.207 4.847 ( -1.689 -0.147 -12.380) 12.496 5.011 ( 1.637 -0.151 8.718) 8.871 5.087 ( 6.882 -1.242 8.983) 11.384 5.365 ( 8.228 -1.947 -1.580) 8.601 5.377 ( 4.348 -0.399 -2.060) 4.828 5.474 ( 0.030 -1.341 13.127) 13.195 5.584 ( -0.360 0.167 3.471) 3.494 5.799 ( -6.329 -0.359 -1.059) 6.427 5.975 ( -3.927 -3.054 1.714) 5.262 6.091 ( -1.297 2.008 -6.845) 7.250 6.103 ( -0.897 0.156 -8.478) 8.527 6.194 ( -0.808 0.228 -1.101) 1.385 6.366 ( 1.310 -1.080 -8.284) 8.456 6.450 ( -6.567 -4.166 8.544) 11.554 6.615 ( -0.370 0.823 5.583) 5.656 6.756 ( -1.925 -1.133 -0.827) 2.382 6.788 ( -0.864 -0.675 2.006) 2.286 6.842 ( -2.305 2.559 0.427) 3.471 6.971 ( -0.707 -0.261 0.575) 0.948 7.163 ( -4.223 -7.424 2.851) 9.004 7.244 ( -7.232 -2.411 -1.554) 7.780 7.371 ( -3.568 -3.523 -1.863) 5.349 7.435 ( -2.908 -4.019 -2.731) 5.662 7.674 ( -5.652 0.817 0.648) 5.747 7.773 ( -0.216 -5.443 -2.785) 6.118 8.462 ( -0.655 -1.930 8.896) 9.126 8.527 ( -5.812 0.868 2.544) 6.403 8.558 ( 0.591 3.728 1.449) 4.043 8.615 ( -6.581 4.525 1.825) 8.192 8.677 ( -0.830 -1.720 1.563) 2.468 9.138 ( 11.170 -1.616 -15.487) 19.163 9.559 ( 11.124 1.723 7.430) 13.488 9.762 ( 12.698 5.800 -4.895) 14.793 10.188 ( -3.080 0.389 -1.519) 3.457 10.250 ( -5.151 -2.297 -4.218) 7.042 10.495 ( -2.802 -3.093 7.253) 8.368 10.617 ( 3.165 -0.810 0.800) 3.363 11.499 ( -10.319 -1.339 3.194) 10.885 11.701 ( -10.218 -4.272 -6.467) 12.825 11.844 ( 0.699 2.878 1.628) 3.380 11.929 ( 2.706 0.679 -3.035) 4.123 11.998 ( 4.154 -1.604 2.847) 5.285 12.050 ( 3.004 -3.898 1.174) 5.060 12.319 ( 0.435 1.020 0.154) 1.120 12.340 ( 0.735 -0.093 -0.487) 0.887 13.196 ( -4.959 7.547 2.755) 9.441 13.353 ( 0.222 8.642 -4.375) 9.689 13.985 ( 6.964 0.126 0.845) 7.016 14.009 ( 7.477 0.667 -0.246) 7.511 ======================= Grid point 101 (37/75) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -8.287 9.077 8.485) 14.936 0.583 ( -9.487 10.021 8.106) 16.004 0.910 ( -5.295 2.159 -7.142) 9.149 1.002 ( -4.659 3.600 -6.290) 8.616 1.057 ( -5.771 2.744 1.908) 6.669 1.143 ( -4.368 7.615 7.212) 11.361 1.202 ( -2.315 5.035 -0.091) 5.542 1.252 ( -2.156 -2.188 5.105) 5.958 1.390 ( -1.266 4.360 -0.820) 4.613 1.480 ( -3.548 1.391 9.164) 9.925 1.567 ( -3.951 5.141 6.931) 9.491 1.685 ( -0.125 -1.787 -1.896) 2.608 1.710 ( -1.386 -0.161 -1.098) 1.775 1.754 ( -1.485 1.014 -2.556) 3.125 1.800 ( -1.609 -2.457 -4.000) 4.962 1.824 ( -2.691 3.575 -9.747) 10.725 1.964 ( 1.616 -1.028 2.354) 3.034 1.976 ( 1.399 -1.733 0.442) 2.271 2.019 ( 0.890 -2.585 -1.848) 3.300 2.049 ( 0.525 -0.857 3.941) 4.068 2.087 ( 2.846 -0.961 -1.904) 3.557 2.149 ( 0.687 2.604 2.927) 3.977 2.188 ( 1.965 -0.379 -1.656) 2.598 2.232 ( 2.725 -2.911 0.585) 4.031 2.279 ( 2.326 2.509 -1.061) 3.582 2.355 ( 5.101 1.760 -1.557) 5.616 2.494 ( -1.078 -3.173 -0.026) 3.351 2.579 ( -0.957 -5.473 -7.581) 9.399 2.645 ( -5.638 -2.901 0.223) 6.344 2.672 ( -5.689 -1.893 -0.389) 6.008 2.774 ( -1.324 -1.105 0.751) 1.881 2.828 ( 0.245 -1.737 -0.321) 1.783 2.850 ( -1.596 -0.125 -1.076) 1.929 2.928 ( 1.841 -1.603 -0.234) 2.453 2.998 ( 2.154 -0.077 6.665) 7.005 3.120 ( -4.600 -1.227 3.529) 5.926 3.141 ( -2.822 -1.802 -1.346) 3.608 3.269 ( -2.468 1.211 3.524) 4.470 3.330 ( 3.799 0.169 -6.613) 7.628 3.346 ( 1.164 0.322 1.487) 1.916 3.434 ( -0.159 1.517 -4.183) 4.452 3.478 ( 0.384 1.829 -2.456) 3.086 3.638 ( 2.257 1.709 10.901) 11.263 3.811 ( -2.121 -0.910 2.600) 3.476 3.917 ( -2.264 -1.075 -2.486) 3.530 4.053 ( 3.618 0.098 -6.648) 7.569 4.189 ( -0.665 2.023 1.434) 2.568 4.220 ( -3.096 0.918 -1.486) 3.554 4.247 ( -3.443 2.464 -0.213) 4.239 4.305 ( -4.634 -1.118 -2.121) 5.218 4.386 ( -7.577 -2.291 4.502) 9.107 4.513 ( -4.791 0.082 -0.999) 4.895 4.780 ( -0.901 0.284 -11.732) 11.770 4.802 ( -2.326 0.577 -13.325) 13.539 5.073 ( 3.919 -0.493 14.772) 15.291 5.253 ( 8.937 -2.564 10.619) 14.114 5.435 ( -0.182 0.184 15.497) 15.499 5.458 ( 3.441 -0.366 3.178) 4.699 5.538 ( 3.445 -2.247 -1.435) 4.356 5.560 ( -1.833 -0.478 2.244) 2.937 5.706 ( -3.838 -1.420 -5.497) 6.854 5.953 ( -0.433 -2.725 2.201) 3.530 6.066 ( -0.491 1.195 -9.087) 9.179 6.077 ( -1.130 0.575 -11.515) 11.585 6.177 ( -1.665 -0.049 0.016) 1.666 6.365 ( -1.731 -1.766 -1.930) 3.137 6.406 ( -2.408 -5.462 6.265) 8.653 6.620 ( 1.123 -0.189 6.129) 6.234 6.736 ( -1.630 -2.932 -2.992) 4.495 6.749 ( -2.122 0.245 7.022) 7.339 6.820 ( 1.150 1.387 0.704) 1.934 6.956 ( -0.993 1.626 -2.420) 3.080 7.128 ( -6.298 -10.606 5.306) 13.428 7.157 ( -8.533 -6.991 -0.902) 11.068 7.263 ( -6.463 -0.336 -3.879) 7.545 7.448 ( -0.395 -2.911 -7.032) 7.621 7.588 ( -1.713 2.170 2.310) 3.603 7.831 ( 1.996 -1.087 -8.746) 9.036 8.321 ( -8.345 0.155 1.799) 8.538 8.404 ( -6.891 0.260 -1.652) 7.091 8.566 ( 2.261 3.201 5.694) 6.913 8.663 ( 7.426 2.640 6.815) 10.419 8.723 ( 3.744 -9.495 16.338) 19.264 9.366 ( 11.125 -5.084 -14.399) 18.893 9.747 ( 10.455 1.738 5.169) 11.791 9.909 ( 8.485 6.936 -3.929) 11.643 10.108 ( -7.121 -1.193 -2.174) 7.541 10.141 ( -7.461 -2.246 -5.146) 9.338 10.523 ( 3.975 -3.142 10.131) 11.328 10.707 ( 7.436 1.519 -0.698) 7.621 11.304 ( -11.665 -1.291 2.065) 11.916 11.476 ( -20.250 -7.272 -6.759) 22.553 11.831 ( 0.579 3.439 2.156) 4.100 11.949 ( 0.902 1.672 -4.147) 4.562 12.070 ( 2.283 -1.496 3.672) 4.576 12.142 ( 2.650 -5.022 1.402) 5.849 12.318 ( 0.354 1.178 0.421) 1.300 12.352 ( 0.535 -0.035 -0.442) 0.695 13.060 ( -2.393 10.624 3.110) 11.326 13.323 ( 5.583 13.998 -11.231) 18.795 14.092 ( 4.986 -0.031 1.891) 5.332 14.117 ( 4.860 0.727 0.196) 4.918 ======================= Grid point 102 (38/75) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -0.000 8.791 13.932) 16.474 0.398 ( -0.000 10.118 12.422) 16.022 0.743 ( -0.000 15.789 12.750) 20.295 0.902 ( -0.000 4.789 -0.779) 4.852 0.945 ( -0.000 3.087 -14.935) 15.251 1.100 ( -0.000 0.051 3.710) 3.710 1.208 ( 0.000 -1.749 -2.777) 3.282 1.273 ( 0.000 -1.856 1.661) 2.491 1.362 ( -0.000 0.481 2.423) 2.470 1.430 ( -0.000 1.444 11.376) 11.467 1.499 ( -0.000 2.943 8.352) 8.856 1.673 ( -0.000 2.796 -6.839) 7.389 1.712 ( 0.000 -3.074 1.558) 3.446 1.726 ( -0.000 0.804 -4.230) 4.306 1.772 ( -0.000 3.248 -11.709) 12.151 1.811 ( 0.000 -2.904 -3.455) 4.513 1.995 ( 0.000 -2.497 0.804) 2.624 2.007 ( 0.000 -2.262 3.731) 4.363 2.046 ( 0.000 -2.067 -2.256) 3.059 2.065 ( 0.000 -2.963 5.520) 6.265 2.129 ( 0.000 -1.049 -2.183) 2.422 2.146 ( -0.000 1.373 5.260) 5.436 2.208 ( 0.000 -0.714 -1.884) 2.015 2.281 ( -0.000 2.631 -2.025) 3.320 2.305 ( 0.000 -5.759 4.013) 7.019 2.441 ( -0.000 0.167 0.468) 0.497 2.461 ( -0.000 0.878 -0.438) 0.981 2.528 ( 0.000 -3.726 -4.782) 6.063 2.635 ( 0.000 -1.570 -1.312) 2.046 2.666 ( 0.000 -3.049 -4.759) 5.652 2.761 ( 0.000 -0.569 -0.566) 0.802 2.819 ( 0.000 -0.223 -4.080) 4.086 2.903 ( 0.000 -4.927 3.670) 6.143 2.986 ( 0.000 -0.311 3.105) 3.120 2.994 ( 0.000 -2.867 0.251) 2.878 3.059 ( 0.000 -0.222 2.784) 2.793 3.144 ( -0.000 0.299 3.110) 3.124 3.206 ( -0.000 5.653 0.982) 5.738 3.325 ( -0.000 4.734 1.528) 4.974 3.381 ( 0.000 -0.726 -5.295) 5.345 3.398 ( -0.000 4.942 -7.005) 8.573 3.468 ( -0.000 2.605 -3.441) 4.315 3.683 ( 0.000 -2.442 12.327) 12.566 3.796 ( 0.000 -1.046 2.162) 2.402 3.898 ( 0.000 -1.177 -2.394) 2.668 4.129 ( 0.000 -0.073 0.628) 0.632 4.151 ( -0.000 0.801 -10.470) 10.500 4.151 ( -0.000 1.616 0.020) 1.616 4.183 ( -0.000 2.055 0.960) 2.268 4.239 ( -0.000 0.327 -1.227) 1.270 4.321 ( -0.000 0.022 7.327) 7.327 4.465 ( -0.000 0.447 1.144) 1.228 4.765 ( -0.000 0.124 -16.053) 16.054 4.776 ( -0.000 1.007 -10.237) 10.286 5.121 ( 0.000 -0.596 16.497) 16.508 5.392 ( 0.000 -4.494 6.254) 7.701 5.419 ( -0.000 0.165 18.704) 18.705 5.515 ( -0.000 0.152 1.547) 1.555 5.528 ( 0.000 -4.851 8.204) 9.531 5.577 ( 0.000 -0.198 -1.239) 1.254 5.698 ( 0.000 -2.147 -7.436) 7.740 5.979 ( 0.000 -1.405 1.205) 1.851 6.048 ( -0.000 0.138 -12.776) 12.777 6.067 ( -0.000 1.293 -11.615) 11.687 6.144 ( -0.000 0.087 2.758) 2.759 6.362 ( 0.000 -0.196 -6.940) 6.943 6.452 ( 0.000 -12.326 15.414) 19.736 6.650 ( 0.000 -3.322 6.709) 7.487 6.727 ( 0.000 -0.166 5.702) 5.705 6.753 ( 0.000 -1.798 0.181) 1.808 6.832 ( 0.000 -0.038 5.111) 5.112 6.951 ( 0.000 -0.050 1.665) 1.666 6.993 ( -0.000 3.182 -11.089) 11.536 7.177 ( 0.000 -12.499 6.628) 14.148 7.198 ( -0.000 0.109 -5.478) 5.479 7.476 ( 0.000 -4.190 -7.724) 8.787 7.550 ( -0.000 4.958 5.671) 7.533 7.835 ( -0.000 4.406 -10.525) 11.410 8.242 ( 0.000 -0.434 2.461) 2.499 8.342 ( 0.000 -0.402 -1.944) 1.985 8.564 ( -0.000 2.775 6.090) 6.692 8.686 ( -0.000 3.487 1.234) 3.699 8.984 ( 0.000 -29.884 26.789) 40.134 9.561 ( 0.000 -8.815 -12.212) 15.061 9.856 ( -0.000 2.683 2.568) 3.714 9.969 ( -0.000 0.347 0.542) 0.644 9.993 ( -0.000 0.345 -0.522) 0.625 10.030 ( -0.000 8.749 -9.554) 12.954 10.651 ( 0.000 -7.825 8.808) 11.782 10.843 ( -0.000 0.332 -2.998) 3.016 11.168 ( -0.000 0.008 0.145) 0.145 11.174 ( -0.000 0.001 -0.144) 0.144 11.810 ( -0.000 3.221 2.215) 3.909 11.941 ( -0.000 2.457 -4.924) 5.503 12.105 ( 0.000 -2.718 5.320) 5.974 12.213 ( 0.000 -7.566 1.615) 7.737 12.311 ( -0.000 1.407 0.618) 1.537 12.358 ( 0.000 -0.223 -0.314) 0.385 12.951 ( -0.000 11.048 2.272) 11.279 13.258 ( -0.000 24.086 -21.137) 32.046 14.150 ( 0.000 -0.544 1.086) 1.215 14.164 ( 0.000 -0.397 0.931) 1.012 ======================= Grid point 105 (39/75) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 3.648 -0.000 3.430) 5.007 1.086 ( -0.593 0.000 1.235) 1.370 1.116 ( 1.070 -0.000 -2.684) 2.889 1.140 ( -0.981 0.000 -1.015) 1.412 1.223 ( 14.451 -0.000 4.322) 15.083 1.425 ( 8.223 -0.000 -2.228) 8.520 1.495 ( 10.907 -0.000 -3.449) 11.439 1.602 ( 3.887 -0.000 -4.450) 5.909 1.625 ( -7.393 0.000 0.661) 7.423 1.630 ( -5.800 0.000 0.348) 5.811 1.689 ( 2.044 -0.000 1.285) 2.415 1.696 ( -4.903 0.000 0.274) 4.911 1.743 ( -0.997 0.000 -1.666) 1.942 1.772 ( 2.292 -0.000 3.901) 4.525 1.816 ( -1.824 0.000 -3.662) 4.091 1.823 ( -2.560 0.000 0.451) 2.600 1.867 ( -3.483 0.000 -0.954) 3.611 1.899 ( 0.956 -0.000 0.851) 1.280 1.929 ( -2.948 0.000 0.424) 2.978 2.017 ( 2.218 -0.000 -2.302) 3.197 2.025 ( -2.420 0.000 2.155) 3.241 2.027 ( -2.588 0.000 -0.405) 2.619 2.219 ( 1.559 -0.000 1.013) 1.859 2.221 ( 8.920 -0.000 2.736) 9.330 2.236 ( 8.417 -0.000 3.017) 8.942 2.376 ( 5.677 -0.000 -1.623) 5.905 2.446 ( -2.310 0.000 1.235) 2.619 2.551 ( -2.286 0.000 -1.931) 2.993 2.668 ( -3.907 0.000 -0.237) 3.914 2.716 ( 1.864 -0.000 -2.976) 3.511 2.827 ( -0.875 0.000 1.144) 1.440 2.863 ( 0.195 -0.000 -1.424) 1.438 3.024 ( 1.099 -0.000 -2.121) 2.388 3.028 ( -1.001 0.000 -2.897) 3.065 3.166 ( -3.327 0.000 0.342) 3.345 3.215 ( -2.869 0.000 -1.878) 3.429 3.307 ( 1.774 -0.000 0.170) 1.782 3.360 ( 5.139 -0.000 5.562) 7.573 3.367 ( 0.298 -0.000 -2.268) 2.287 3.399 ( -3.712 0.000 4.508) 5.840 3.520 ( 6.505 -0.000 -1.675) 6.717 3.531 ( 4.450 -0.000 -5.158) 6.812 3.720 ( 3.606 -0.000 7.667) 8.472 3.792 ( -4.291 0.000 4.410) 6.153 3.843 ( 1.613 -0.000 8.706) 8.854 3.932 ( -9.422 0.000 3.687) 10.117 4.190 ( 3.729 -0.000 -8.345) 9.140 4.241 ( -2.653 0.000 -9.962) 10.309 4.429 ( 4.172 -0.000 4.065) 5.825 4.485 ( 1.539 -0.000 1.966) 2.497 4.618 ( -2.132 0.000 -0.474) 2.184 4.717 ( -2.217 0.000 -3.627) 4.252 4.752 ( 2.332 -0.000 -2.211) 3.213 4.833 ( -2.140 0.000 -2.468) 3.267 5.042 ( 1.448 -0.000 1.062) 1.796 5.096 ( 0.397 -0.000 -3.961) 3.981 5.123 ( -1.842 0.000 -0.601) 1.937 5.234 ( -4.068 0.000 -4.048) 5.739 5.520 ( 1.744 -0.000 11.719) 11.848 5.535 ( -2.139 0.000 8.219) 8.493 6.021 ( 4.609 -0.000 -3.816) 5.984 6.052 ( -2.216 0.000 -3.187) 3.881 6.064 ( -1.749 0.000 1.427) 2.257 6.207 ( 1.515 -0.000 -1.021) 1.827 6.212 ( 3.213 -0.000 -4.239) 5.319 6.304 ( -2.400 0.000 -7.101) 7.496 6.656 ( 4.031 -0.000 0.323) 4.044 6.666 ( -0.665 0.000 0.535) 0.853 6.689 ( -3.547 0.000 9.220) 9.879 6.810 ( 3.620 -0.000 4.648) 5.892 6.980 ( 2.048 -0.000 -2.516) 3.244 7.021 ( -1.151 0.000 -7.448) 7.536 7.154 ( -4.547 0.000 2.052) 4.988 7.202 ( -3.874 0.000 -0.119) 3.876 7.586 ( -3.358 0.000 0.514) 3.397 7.607 ( 2.095 -0.000 -2.362) 3.157 7.833 ( -0.480 0.000 9.973) 9.985 7.919 ( 3.000 -0.000 8.732) 9.233 8.480 ( 6.425 -0.000 0.231) 6.429 8.517 ( 0.950 -0.000 -6.062) 6.136 8.649 ( -0.931 0.000 -5.552) 5.630 8.674 ( -10.704 0.000 -3.888) 11.388 8.893 ( 6.360 -0.000 0.910) 6.425 8.945 ( 6.491 -0.000 -1.296) 6.619 9.295 ( 0.536 -0.000 2.245) 2.308 9.320 ( -4.344 0.000 0.806) 4.418 10.217 ( 2.572 -0.000 -0.694) 2.665 10.281 ( -0.759 0.000 -4.116) 4.185 10.671 ( -2.294 0.000 2.863) 3.669 10.686 ( -1.045 0.000 1.598) 1.910 11.690 ( 0.190 -0.000 0.931) 0.950 11.716 ( 1.177 -0.000 0.660) 1.350 11.804 ( -1.130 0.000 1.225) 1.667 11.897 ( -2.060 0.000 2.492) 3.233 11.942 ( -0.730 0.000 -4.083) 4.148 11.998 ( -4.070 0.000 -1.562) 4.359 12.298 ( 0.298 -0.000 0.692) 0.754 12.334 ( -0.159 0.000 -0.821) 0.836 13.423 ( 12.216 -0.000 0.740) 12.238 13.456 ( 11.793 -0.000 -0.687) 11.813 13.710 ( -8.401 0.000 0.572) 8.420 13.732 ( -7.014 0.000 -0.387) 7.024 ======================= Grid point 106 (40/75) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 0.166 -0.228 2.767) 2.781 1.064 ( -1.061 1.363 1.220) 2.114 1.103 ( -2.809 -0.933 -0.897) 3.093 1.141 ( 0.792 -0.114 -1.776) 1.948 1.439 ( 2.528 1.864 1.453) 3.460 1.448 ( -2.397 1.851 1.247) 3.275 1.477 ( -6.261 -0.439 2.468) 6.744 1.603 ( 1.004 0.544 -0.306) 1.183 1.614 ( -3.175 -0.453 -0.112) 3.209 1.629 ( 1.123 -2.210 -0.322) 2.499 1.683 ( 6.550 0.701 -3.672) 7.542 1.696 ( -2.040 -0.645 -3.482) 4.087 1.724 ( -1.015 0.066 -2.177) 2.403 1.731 ( -0.362 -0.799 -0.922) 1.273 1.806 ( -1.699 0.797 -1.414) 2.350 1.830 ( 4.153 0.248 -3.062) 5.165 1.840 ( -0.679 1.007 2.066) 2.397 1.891 ( 1.212 3.368 0.744) 3.655 1.935 ( 2.231 -1.933 2.103) 3.624 1.991 ( 0.108 1.715 1.834) 2.513 2.001 ( 0.385 -2.149 2.132) 3.051 2.088 ( 2.343 -2.257 -2.762) 4.268 2.227 ( -0.927 0.170 0.414) 1.030 2.260 ( 0.775 0.544 0.179) 0.963 2.408 ( -1.171 0.069 0.463) 1.261 2.415 ( -0.575 0.171 1.950) 2.040 2.441 ( 6.575 -0.039 1.268) 6.696 2.526 ( -1.134 1.479 -3.314) 3.802 2.626 ( -0.900 -1.308 1.869) 2.452 2.750 ( 1.330 0.388 -1.174) 1.816 2.819 ( 0.009 -0.531 0.770) 0.935 2.872 ( 1.120 -0.127 -3.819) 3.982 2.982 ( -3.886 -0.619 -2.248) 4.532 3.006 ( -3.212 -0.360 -2.866) 4.320 3.119 ( -0.945 -0.100 1.584) 1.847 3.160 ( -2.969 0.071 0.008) 2.970 3.286 ( -7.981 0.011 6.350) 10.199 3.342 ( 1.700 -0.385 -1.351) 2.205 3.349 ( -1.609 0.621 -1.859) 2.536 3.412 ( -0.101 0.238 3.531) 3.540 3.527 ( -4.313 -0.095 -0.744) 4.378 3.557 ( -3.958 -0.153 -3.848) 5.523 3.699 ( -5.542 0.249 5.901) 8.100 3.779 ( 3.913 0.625 3.727) 5.440 3.835 ( 0.397 -0.613 7.485) 7.520 3.972 ( 10.340 0.110 4.836) 11.415 4.186 ( -3.359 0.003 -9.634) 10.203 4.257 ( 3.777 0.078 -8.368) 9.181 4.467 ( -2.872 0.676 5.040) 5.840 4.499 ( 3.349 -0.272 4.847) 5.898 4.580 ( -2.654 -0.727 -1.794) 3.284 4.688 ( -0.562 0.672 -7.087) 7.141 4.781 ( -3.081 0.177 -1.816) 3.581 4.799 ( 2.085 -0.243 -2.952) 3.622 5.024 ( -3.644 -0.152 0.826) 3.740 5.067 ( 0.843 -0.254 -2.287) 2.451 5.166 ( -2.640 0.298 -1.977) 3.312 5.195 ( 4.604 -0.432 -5.537) 7.214 5.497 ( -1.942 -0.074 12.946) 13.091 5.557 ( 2.326 0.400 10.196) 10.466 5.992 ( -4.334 0.025 0.374) 4.350 6.025 ( -2.272 -0.253 0.403) 2.322 6.084 ( 1.536 -0.976 -5.359) 5.659 6.221 ( 0.061 2.122 -5.569) 5.960 6.251 ( 1.035 -1.524 -4.518) 4.879 6.265 ( -1.590 -0.102 -5.554) 5.778 6.611 ( -4.864 -0.345 8.694) 9.968 6.672 ( 0.660 0.125 3.905) 3.963 6.735 ( 4.214 -0.022 -0.623) 4.260 6.837 ( 0.696 2.414 3.468) 4.282 6.937 ( -5.720 0.661 -4.715) 7.442 7.004 ( -1.170 -0.652 -2.742) 3.052 7.102 ( -0.746 -3.599 2.604) 4.505 7.218 ( 2.820 -2.695 -3.655) 5.345 7.460 ( -9.148 0.538 2.510) 9.502 7.588 ( -4.367 1.210 -2.789) 5.321 7.799 ( -3.908 -0.654 10.737) 11.444 7.923 ( -1.888 1.032 5.545) 5.948 8.456 ( -5.459 -0.376 0.600) 5.504 8.593 ( 0.821 0.899 -3.605) 3.805 8.611 ( 4.614 -1.373 -5.588) 7.376 8.639 ( 1.166 0.083 -4.315) 4.470 8.952 ( 0.684 0.488 -0.629) 1.050 8.984 ( -2.177 0.505 -1.256) 2.564 9.306 ( 2.623 -0.377 3.712) 4.561 9.385 ( 8.948 -0.250 -0.696) 8.978 10.281 ( 3.391 1.387 -2.109) 4.227 10.285 ( 2.681 1.117 -2.253) 3.676 10.589 ( -5.986 -0.004 3.597) 6.984 10.630 ( -4.452 0.530 1.436) 4.708 11.721 ( 1.589 -0.913 0.332) 1.862 11.724 ( -1.015 -0.651 0.234) 1.228 11.784 ( 1.235 0.084 2.556) 2.840 11.874 ( 0.190 3.148 -0.312) 3.169 11.934 ( -2.095 -2.675 -1.954) 3.919 11.940 ( -1.851 -0.912 -1.324) 2.452 12.307 ( 0.646 -0.084 0.408) 0.769 12.332 ( 0.037 0.301 -0.631) 0.700 13.557 ( -8.138 0.814 1.319) 8.284 13.610 ( -6.038 0.957 -1.012) 6.197 13.641 ( 11.267 -0.772 0.624) 11.311 13.668 ( 11.197 -0.488 -0.544) 11.221 ======================= Grid point 107 (41/75) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -2.236 0.593 1.276) 2.642 1.031 ( -2.202 0.513 0.783) 2.392 1.038 ( -4.215 0.579 1.947) 4.679 1.149 ( 0.143 0.975 -1.798) 2.050 1.291 ( -6.789 6.483 2.057) 9.610 1.315 ( -7.463 0.687 3.370) 8.217 1.442 ( -3.860 3.401 -2.966) 5.939 1.531 ( -5.952 -3.214 0.280) 6.770 1.606 ( -4.505 -0.397 -4.901) 6.669 1.640 ( -2.673 -1.368 -2.436) 3.866 1.703 ( 5.793 -0.233 1.047) 5.892 1.706 ( -1.561 -1.692 0.048) 2.302 1.746 ( 2.419 -2.062 0.477) 3.214 1.786 ( 1.050 1.305 2.885) 3.336 1.812 ( 0.209 -0.732 3.240) 3.329 1.838 ( 3.346 1.625 -1.796) 4.130 1.884 ( 3.396 2.172 -3.603) 5.407 1.942 ( 4.875 -0.875 -2.895) 5.737 1.993 ( 2.608 0.734 1.448) 3.072 2.001 ( 3.122 2.841 0.713) 4.281 2.049 ( 2.106 -3.110 2.293) 4.400 2.137 ( 1.487 -1.710 -1.915) 2.967 2.181 ( -3.568 0.491 -0.226) 3.609 2.205 ( -5.607 4.847 -0.228) 7.415 2.389 ( -1.342 0.118 -0.501) 1.437 2.406 ( 0.615 1.724 0.928) 2.052 2.444 ( -3.913 2.373 -0.604) 4.616 2.468 ( -1.274 2.232 -3.194) 4.099 2.665 ( 2.437 -2.354 4.270) 5.451 2.750 ( -0.760 -0.122 1.035) 1.290 2.834 ( 0.160 -0.808 -0.705) 1.084 2.888 ( -2.637 -2.185 -5.295) 6.306 2.909 ( -4.764 -2.099 -1.003) 5.302 2.950 ( -2.300 -0.077 -1.221) 2.605 3.088 ( -7.242 -1.908 5.788) 9.465 3.111 ( -1.197 -1.647 1.498) 2.528 3.172 ( -2.150 -0.686 1.353) 2.631 3.305 ( -2.990 0.738 -2.129) 3.744 3.325 ( -6.174 0.183 -3.475) 7.087 3.379 ( 1.865 -0.430 -3.141) 3.678 3.431 ( -5.208 0.401 3.277) 6.166 3.506 ( -0.502 -0.110 2.589) 2.640 3.634 ( -1.621 0.021 7.475) 7.648 3.842 ( 2.728 0.634 1.627) 3.239 3.868 ( 1.531 -0.706 3.107) 3.535 4.107 ( -1.616 -0.098 -6.955) 7.141 4.151 ( 5.195 1.082 1.264) 5.455 4.310 ( 1.635 0.235 -5.574) 5.813 4.399 ( -3.374 1.000 3.948) 5.289 4.512 ( -4.149 1.225 -1.472) 4.570 4.537 ( -2.264 -1.992 4.302) 5.254 4.665 ( -2.021 0.134 -5.127) 5.512 4.752 ( 1.107 0.447 -3.632) 3.823 4.833 ( 1.413 -0.570 -5.772) 5.970 4.990 ( 0.023 -0.605 3.003) 3.063 5.041 ( -3.143 -0.418 -1.387) 3.460 5.191 ( 5.220 -0.687 -0.701) 5.312 5.282 ( 4.661 -0.582 -5.569) 7.286 5.470 ( -1.105 -0.233 15.191) 15.233 5.589 ( 1.486 0.879 7.340) 7.540 5.903 ( -5.569 -0.270 2.056) 5.943 5.979 ( -3.864 -2.038 0.778) 4.437 6.101 ( -0.041 -0.628 -6.178) 6.210 6.179 ( -2.253 2.154 -8.020) 8.604 6.230 ( -1.766 0.400 -4.134) 4.514 6.296 ( 1.827 -1.823 -6.044) 6.572 6.516 ( -6.202 -0.924 8.385) 10.470 6.667 ( -0.789 1.569 5.730) 5.993 6.778 ( -0.174 0.357 0.827) 0.918 6.821 ( -1.686 1.734 1.337) 2.763 6.858 ( -0.791 -1.110 -3.764) 4.003 6.972 ( -1.945 -1.508 -0.738) 2.570 7.175 ( 2.790 -5.663 1.178) 6.422 7.224 ( -6.964 0.186 4.114) 8.090 7.357 ( 0.069 -3.676 -6.646) 7.595 7.438 ( -10.189 0.257 -3.557) 10.795 7.709 ( -6.224 -1.840 9.092) 11.171 7.841 ( -6.210 1.145 1.542) 6.500 8.408 ( -0.502 -1.155 7.282) 7.390 8.609 ( 1.112 1.623 -2.230) 2.974 8.616 ( 0.908 1.516 -2.081) 2.730 8.683 ( -3.712 -3.019 -2.193) 5.263 8.866 ( -8.849 1.987 -0.785) 9.103 8.982 ( 5.630 1.441 -9.872) 11.455 9.409 ( 8.412 0.491 7.139) 11.044 9.591 ( 13.233 0.602 -3.610) 13.730 10.277 ( -1.109 2.910 -1.349) 3.394 10.328 ( 0.274 3.435 -3.219) 4.716 10.498 ( -4.321 -2.500 4.146) 6.489 10.555 ( -1.980 -1.262 2.585) 3.492 11.637 ( -6.905 -0.298 2.497) 7.348 11.770 ( -2.045 -1.460 -3.289) 4.139 11.850 ( 4.539 0.359 0.346) 4.566 11.870 ( 3.663 1.864 -0.476) 4.138 11.902 ( -0.683 -1.437 1.329) 2.073 11.953 ( 0.184 -2.767 -0.998) 2.947 12.322 ( 0.881 -0.053 0.050) 0.884 12.332 ( 0.299 0.501 -0.340) 0.675 13.411 ( -6.430 2.429 2.163) 7.206 13.505 ( -3.928 2.350 -1.950) 4.975 13.834 ( 9.531 -0.423 0.669) 9.563 13.861 ( 9.845 -0.051 -0.513) 9.859 ======================= Grid point 108 (42/75) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -7.517 4.737 3.213) 9.448 0.942 ( -5.045 4.171 0.891) 6.607 0.998 ( -1.614 1.452 2.447) 3.271 1.096 ( -4.565 3.713 3.923) 7.072 1.155 ( -2.592 2.103 -3.063) 4.531 1.206 ( -3.833 0.784 2.392) 4.585 1.327 ( -5.607 3.148 -4.420) 7.803 1.463 ( -3.170 -0.552 -4.351) 5.411 1.541 ( -3.877 -2.050 0.672) 4.437 1.598 ( -2.335 0.167 -0.613) 2.420 1.686 ( -2.537 -3.040 -0.844) 4.049 1.732 ( 0.101 1.125 -0.817) 1.394 1.764 ( -1.830 2.585 3.323) 4.590 1.804 ( -1.898 1.767 4.433) 5.136 1.852 ( 3.019 0.932 -0.736) 3.244 1.860 ( 0.865 -1.176 1.163) 1.866 1.924 ( -0.581 5.548 -1.590) 5.801 1.959 ( -2.319 3.491 0.823) 4.272 2.002 ( 1.665 1.000 0.049) 1.942 2.024 ( 0.950 1.458 -0.923) 1.970 2.060 ( -1.226 0.342 1.014) 1.627 2.127 ( 2.507 -0.226 -0.428) 2.553 2.131 ( 1.242 -0.847 -0.788) 1.697 2.193 ( 2.314 -1.804 -2.832) 4.078 2.321 ( -2.701 4.125 -0.588) 4.966 2.375 ( -0.511 2.999 -0.219) 3.050 2.438 ( 1.327 -0.638 -0.558) 1.575 2.452 ( 0.157 -2.781 -4.793) 5.543 2.700 ( -2.326 -2.709 1.703) 3.956 2.731 ( -4.031 -1.318 0.105) 4.242 2.759 ( -6.073 -2.233 0.812) 6.521 2.818 ( -3.741 -1.776 0.255) 4.149 2.897 ( -0.966 -0.618 -1.283) 1.721 2.918 ( -0.251 0.187 -0.910) 0.962 2.976 ( -4.858 -1.327 5.786) 7.671 3.106 ( -1.995 -3.825 1.206) 4.479 3.165 ( -2.340 -2.191 -0.282) 3.218 3.260 ( -0.484 -0.680 -3.745) 3.836 3.277 ( -0.193 -1.625 -1.872) 2.487 3.345 ( -2.829 1.130 5.493) 6.281 3.419 ( 1.485 -0.849 -3.666) 4.046 3.508 ( 0.569 0.886 -0.769) 1.303 3.636 ( 2.061 0.887 8.654) 8.940 3.840 ( -1.808 -0.031 2.852) 3.377 3.908 ( 1.352 -0.575 -1.722) 2.264 4.050 ( -2.312 0.273 -6.981) 7.359 4.221 ( 2.408 1.755 1.463) 3.320 4.300 ( -2.307 0.766 -1.631) 2.927 4.340 ( -2.358 0.730 0.562) 2.532 4.402 ( -6.386 1.082 -1.847) 6.735 4.465 ( -6.105 -1.159 5.665) 8.409 4.600 ( -5.154 -0.659 -2.762) 5.884 4.788 ( 1.577 0.492 -7.636) 7.812 4.842 ( -1.387 -0.495 -12.601) 12.687 5.010 ( 1.376 -0.042 8.654) 8.763 5.070 ( 7.263 -0.827 7.117) 10.202 5.331 ( 8.266 -2.201 -3.144) 9.114 5.370 ( 4.558 -0.473 -3.786) 5.944 5.460 ( -0.527 -0.547 15.888) 15.906 5.592 ( -0.482 0.871 4.342) 4.454 5.796 ( -6.477 -0.140 0.516) 6.499 5.922 ( -4.355 -3.433 2.464) 6.068 6.098 ( -0.802 -0.438 -7.464) 7.519 6.124 ( -1.719 1.897 -9.237) 9.585 6.196 ( -1.544 0.144 -2.843) 3.238 6.342 ( 1.405 -1.896 -7.078) 7.461 6.406 ( -6.855 -1.670 8.497) 11.044 6.635 ( -0.699 1.755 6.389) 6.663 6.732 ( -4.448 -1.543 -5.950) 7.587 6.780 ( -1.563 -0.562 7.131) 7.322 6.877 ( 0.266 1.678 -0.680) 1.830 6.959 ( -0.787 -1.368 0.993) 1.865 7.078 ( -6.665 -3.331 4.141) 8.524 7.221 ( -11.500 -0.952 -2.964) 11.914 7.296 ( 3.329 -5.439 -0.351) 6.387 7.381 ( -4.329 -2.646 -3.951) 6.431 7.672 ( 0.619 -3.623 0.741) 3.749 7.704 ( -6.871 -0.285 -2.050) 7.176 8.433 ( 0.511 -1.723 9.000) 9.177 8.525 ( -10.231 -0.902 1.385) 10.364 8.614 ( 1.463 3.192 1.398) 3.779 8.662 ( -3.789 0.642 1.006) 3.973 8.680 ( -2.265 2.542 1.199) 3.609 9.125 ( 9.509 -0.113 -16.567) 19.102 9.583 ( 11.255 1.353 8.193) 13.987 9.825 ( 13.197 2.136 -6.471) 14.852 10.190 ( -6.293 0.185 -0.852) 6.353 10.241 ( -6.778 1.025 -2.594) 7.329 10.466 ( -0.384 -0.873 7.499) 7.559 10.609 ( 5.551 -0.282 0.192) 5.562 11.484 ( -10.429 -0.674 2.720) 10.799 11.649 ( -11.618 -2.370 -4.771) 12.781 11.879 ( 0.596 1.646 1.416) 2.251 11.935 ( 2.674 -0.109 -1.783) 3.215 11.983 ( 5.749 -0.382 1.026) 5.852 12.002 ( 3.721 -2.275 0.597) 4.402 12.332 ( 0.443 0.659 -0.050) 0.795 12.340 ( 0.867 0.057 -0.190) 0.889 13.294 ( -3.377 4.877 3.000) 6.647 13.443 ( -0.071 3.521 -3.633) 5.060 13.987 ( 7.313 0.088 1.014) 7.384 14.018 ( 7.734 0.482 -0.376) 7.758 ======================= Grid point 109 (43/75) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -6.194 8.350 6.749) 12.395 0.751 ( -8.074 11.158 5.563) 14.853 0.945 ( -2.542 2.416 -1.852) 3.966 1.027 ( -2.144 -0.514 1.907) 2.915 1.091 ( -2.931 3.483 -6.540) 7.968 1.166 ( -0.427 0.342 0.604) 0.815 1.219 ( -4.275 -1.134 -0.043) 4.423 1.409 ( -2.421 6.953 -4.791) 8.784 1.483 ( -2.318 6.839 5.413) 9.025 1.503 ( -4.558 5.192 6.714) 9.633 1.639 ( -1.540 0.955 3.366) 3.823 1.671 ( -2.794 5.546 4.444) 7.636 1.718 ( -1.876 -4.030 -2.075) 4.905 1.737 ( 0.465 2.126 -2.630) 3.413 1.804 ( -2.469 2.812 -3.255) 4.959 1.877 ( -1.316 2.093 -4.200) 4.874 1.924 ( 0.795 -3.260 3.719) 5.009 1.972 ( 1.143 0.243 -1.581) 1.966 1.993 ( 0.097 -0.063 -1.781) 1.785 2.047 ( 0.508 0.757 3.504) 3.620 2.067 ( 2.072 -1.661 -2.129) 3.404 2.160 ( 0.319 -2.061 -0.666) 2.190 2.182 ( 1.096 -1.531 -0.338) 1.913 2.216 ( 1.675 3.082 -1.059) 3.664 2.303 ( 2.060 0.466 -0.725) 2.233 2.375 ( 2.074 0.342 -1.314) 2.479 2.464 ( 0.419 -0.866 -0.141) 0.973 2.491 ( -0.009 -5.038 -6.604) 8.307 2.601 ( -7.349 -2.369 0.378) 7.731 2.635 ( -4.758 -2.647 -0.870) 5.514 2.752 ( -0.213 -1.621 1.824) 2.450 2.801 ( -0.485 -1.341 0.525) 1.520 2.846 ( -3.009 -0.499 -1.436) 3.371 2.909 ( 0.526 -0.475 1.039) 1.258 2.986 ( 0.595 -1.611 6.061) 6.300 3.100 ( -2.354 -1.784 1.880) 3.501 3.115 ( -1.438 -1.847 -1.292) 2.674 3.255 ( -3.102 -3.967 3.839) 6.332 3.321 ( 2.589 -0.335 -2.273) 3.462 3.331 ( 1.728 -0.924 1.207) 2.301 3.445 ( 0.655 -0.249 -4.578) 4.632 3.511 ( 1.221 2.119 -3.227) 4.049 3.675 ( 2.975 2.563 8.460) 9.327 3.800 ( -2.453 -0.451 2.370) 3.440 3.899 ( -2.470 -1.095 -2.303) 3.551 4.057 ( 3.320 0.446 -6.219) 7.063 4.217 ( -1.218 1.448 -0.774) 2.044 4.237 ( -3.382 1.195 -1.315) 3.820 4.281 ( -6.024 0.180 -1.351) 6.176 4.290 ( -2.622 1.070 -0.885) 2.967 4.367 ( -4.742 -0.383 6.747) 8.255 4.514 ( -3.856 0.147 0.590) 3.904 4.787 ( -1.150 0.450 -13.308) 13.365 4.810 ( -1.213 0.416 -11.637) 11.708 5.066 ( 3.613 -0.487 14.629) 15.076 5.231 ( 8.552 -0.425 8.164) 11.831 5.437 ( 0.419 0.145 12.666) 12.673 5.454 ( 2.539 -0.223 4.563) 5.227 5.497 ( 5.813 -2.876 -3.683) 7.459 5.558 ( -2.484 0.259 2.442) 3.493 5.686 ( -5.452 -1.003 -3.747) 6.691 5.896 ( -1.494 -4.483 3.507) 5.884 6.074 ( -1.834 0.104 -10.766) 10.921 6.096 ( -0.023 1.448 -10.428) 10.528 6.173 ( -1.631 -0.401 -0.429) 1.733 6.317 ( -3.969 -2.922 9.809) 10.977 6.367 ( -0.350 -1.274 -7.042) 7.165 6.621 ( -0.002 0.201 3.179) 3.185 6.686 ( -1.875 -3.055 -1.501) 3.886 6.749 ( -2.378 -0.254 6.997) 7.394 6.843 ( -0.901 1.387 2.581) 3.065 6.967 ( -0.242 -0.683 3.669) 3.740 7.011 ( -5.835 -4.132 0.322) 7.157 7.069 ( -6.128 -4.331 -0.170) 7.505 7.261 ( -5.859 -0.092 -3.926) 7.054 7.390 ( 0.073 -4.550 -6.390) 7.845 7.608 ( -1.415 0.746 -0.350) 1.638 7.776 ( 4.004 -4.824 -5.901) 8.609 8.322 ( -9.050 -0.085 1.849) 9.237 8.401 ( -6.949 -0.801 -0.718) 7.032 8.591 ( 1.997 -1.322 14.769) 14.962 8.639 ( 1.961 1.891 6.415) 6.969 8.720 ( 3.342 2.026 1.480) 4.179 9.302 ( 8.387 -2.977 -17.348) 19.498 9.770 ( 9.851 1.174 6.178) 11.687 9.994 ( 5.901 4.189 -5.611) 9.157 10.091 ( -4.012 -2.372 -3.604) 5.892 10.099 ( -8.031 -1.421 -2.123) 8.428 10.502 ( 4.180 0.230 11.103) 11.866 10.733 ( 8.991 1.810 -1.811) 9.348 11.289 ( -10.883 -0.714 1.627) 11.027 11.405 ( -17.204 -2.603 -3.727) 17.795 11.875 ( 0.424 2.054 1.733) 2.721 11.960 ( 0.499 -0.374 -2.594) 2.668 12.065 ( 3.247 0.760 1.379) 3.609 12.091 ( 3.381 -1.768 0.658) 3.872 12.333 ( 0.338 0.829 0.239) 0.927 12.353 ( 0.598 0.125 -0.264) 0.666 13.208 ( -0.990 7.923 3.847) 8.863 13.450 ( 3.499 3.821 -7.615) 9.210 14.093 ( 4.450 0.142 1.852) 4.822 14.127 ( 4.689 0.608 0.021) 4.728 ======================= Grid point 110 (44/75) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -0.000 11.875 9.432) 15.165 0.567 ( -0.000 10.807 9.350) 14.290 0.887 ( -0.000 4.504 -6.105) 7.586 1.009 ( -0.000 4.954 -13.349) 14.239 1.012 ( -0.000 2.268 5.745) 6.177 1.158 ( -0.000 1.427 1.847) 2.334 1.212 ( 0.000 -3.480 5.664) 6.648 1.245 ( -0.000 15.888 4.252) 16.447 1.418 ( -0.000 4.776 -0.848) 4.850 1.457 ( -0.000 1.570 10.606) 10.722 1.582 ( -0.000 7.172 5.993) 9.347 1.653 ( 0.000 -3.921 1.586) 4.229 1.730 ( -0.000 4.455 -4.351) 6.228 1.739 ( 0.000 -1.441 -2.264) 2.683 1.749 ( 0.000 -2.611 -5.529) 6.115 1.834 ( -0.000 4.025 -8.779) 9.658 1.959 ( 0.000 -3.835 4.556) 5.955 1.980 ( -0.000 0.313 -0.907) 0.960 2.007 ( 0.000 -2.205 -1.828) 2.864 2.044 ( -0.000 0.035 4.530) 4.530 2.106 ( 0.000 -1.776 -2.721) 3.249 2.166 ( -0.000 0.526 1.863) 1.935 2.198 ( 0.000 -0.804 0.269) 0.847 2.238 ( 0.000 -2.406 0.326) 2.428 2.319 ( -0.000 1.630 -1.701) 2.356 2.447 ( -0.000 0.497 0.683) 0.845 2.452 ( 0.000 -5.406 -5.407) 7.646 2.476 ( -0.000 0.893 -0.597) 1.075 2.577 ( 0.000 -5.703 -4.126) 7.039 2.615 ( 0.000 -2.536 -1.342) 2.869 2.751 ( 0.000 -0.627 -0.026) 0.627 2.813 ( 0.000 -0.616 -3.484) 3.538 2.838 ( 0.000 -3.740 3.931) 5.426 2.945 ( 0.000 -2.792 2.010) 3.440 2.979 ( 0.000 -0.647 2.952) 3.022 3.056 ( 0.000 -0.175 0.952) 0.968 3.150 ( -0.000 0.561 3.525) 3.569 3.233 ( 0.000 -1.687 2.438) 2.964 3.360 ( 0.000 -1.546 3.497) 3.823 3.364 ( 0.000 -1.307 -4.804) 4.979 3.445 ( -0.000 1.301 -6.031) 6.170 3.510 ( -0.000 2.622 -3.615) 4.466 3.684 ( -0.000 2.730 9.757) 10.132 3.779 ( 0.000 -1.070 2.073) 2.333 3.878 ( 0.000 -1.243 -2.327) 2.638 4.127 ( 0.000 -0.175 1.292) 1.304 4.158 ( -0.000 0.223 -12.429) 12.431 4.182 ( -0.000 1.862 -0.891) 2.064 4.216 ( -0.000 2.010 0.806) 2.165 4.250 ( -0.000 1.290 -0.650) 1.444 4.322 ( -0.000 0.089 7.220) 7.221 4.474 ( -0.000 0.794 2.528) 2.650 4.767 ( -0.000 0.185 -16.125) 16.126 4.794 ( -0.000 1.301 -9.794) 9.880 5.111 ( 0.000 -0.701 16.075) 16.091 5.334 ( 0.000 -1.871 9.865) 10.041 5.422 ( -0.000 0.274 18.544) 18.547 5.492 ( 0.000 -0.876 2.601) 2.745 5.518 ( -0.000 0.193 1.668) 1.679 5.573 ( 0.000 -0.283 -1.200) 1.233 5.649 ( 0.000 -3.648 -8.226) 8.999 5.929 ( 0.000 -4.857 2.979) 5.698 6.051 ( -0.000 0.219 -12.636) 12.638 6.090 ( -0.000 1.483 -11.564) 11.659 6.145 ( -0.000 0.133 2.590) 2.593 6.321 ( 0.000 -5.178 11.778) 12.866 6.358 ( 0.000 -0.310 -6.761) 6.768 6.630 ( 0.000 -0.744 3.724) 3.797 6.706 ( 0.000 -3.928 0.171) 3.932 6.724 ( 0.000 -0.256 5.587) 5.593 6.831 ( 0.000 -0.076 4.619) 4.620 6.950 ( 0.000 -0.059 2.093) 2.093 6.978 ( 0.000 -3.938 0.680) 3.997 7.050 ( 0.000 -3.867 -0.349) 3.883 7.201 ( -0.000 0.165 -5.477) 5.479 7.415 ( 0.000 -3.685 -10.271) 10.912 7.600 ( -0.000 1.457 3.063) 3.392 7.846 ( 0.000 -2.203 -8.661) 8.937 8.233 ( 0.000 -0.663 2.488) 2.575 8.334 ( 0.000 -0.614 -1.948) 2.042 8.614 ( -0.000 2.783 7.602) 8.096 8.685 ( 0.000 -7.887 17.133) 18.861 8.745 ( -0.000 0.959 5.335) 5.420 9.434 ( 0.000 -6.700 -16.693) 17.987 9.881 ( -0.000 0.572 4.175) 4.214 9.976 ( -0.000 0.529 0.541) 0.756 10.000 ( -0.000 0.526 -0.521) 0.741 10.099 ( -0.000 1.611 -10.122) 10.249 10.574 ( 0.000 -2.366 11.245) 11.491 10.860 ( -0.000 1.971 -4.341) 4.767 11.168 ( -0.000 0.012 0.141) 0.142 11.174 ( -0.000 0.001 -0.141) 0.141 11.860 ( -0.000 2.740 1.992) 3.388 11.964 ( -0.000 0.415 -3.272) 3.298 12.088 ( -0.000 0.427 2.357) 2.396 12.138 ( 0.000 -2.735 0.592) 2.798 12.330 ( -0.000 0.990 0.390) 1.064 12.358 ( -0.000 0.099 -0.265) 0.283 13.128 ( -0.000 10.553 4.200) 11.358 13.464 ( -0.000 5.581 -13.702) 14.796 14.138 ( 0.000 -0.536 2.427) 2.485 14.168 ( -0.000 0.484 0.445) 0.657 ======================= Grid point 115 (45/75) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -1.386 0.000 1.743) 2.227 1.028 ( -4.968 0.000 0.085) 4.969 1.051 ( -1.148 0.000 2.283) 2.555 1.157 ( 0.816 -0.000 -2.230) 2.374 1.319 ( -7.589 0.000 4.620) 8.885 1.363 ( -4.955 0.000 1.842) 5.286 1.457 ( -6.526 0.000 -0.027) 6.526 1.501 ( -4.341 0.000 0.086) 4.342 1.602 ( -5.170 0.000 -7.973) 9.502 1.623 ( -3.167 0.000 -4.193) 5.255 1.696 ( 1.394 -0.000 1.076) 1.762 1.707 ( 5.466 -0.000 2.805) 6.144 1.725 ( 0.695 -0.000 -0.377) 0.791 1.795 ( -0.966 0.000 2.894) 3.051 1.806 ( 1.591 -0.000 3.229) 3.600 1.863 ( 5.512 -0.000 -3.444) 6.500 1.894 ( -0.033 0.000 -1.687) 1.688 1.934 ( 5.366 -0.000 -3.250) 6.274 2.001 ( 3.417 -0.000 2.729) 4.373 2.019 ( 1.752 -0.000 1.247) 2.150 2.034 ( 4.278 -0.000 0.701) 4.335 2.115 ( 1.249 -0.000 -2.381) 2.689 2.182 ( -4.100 0.000 -0.454) 4.125 2.244 ( -2.801 0.000 -4.130) 4.991 2.399 ( 0.417 -0.000 1.369) 1.431 2.409 ( -0.120 0.000 1.087) 1.094 2.478 ( -4.664 0.000 -1.083) 4.789 2.485 ( -1.137 0.000 -2.301) 2.567 2.640 ( 1.931 -0.000 5.466) 5.797 2.749 ( -1.138 0.000 1.320) 1.742 2.830 ( 1.494 -0.000 -0.753) 1.673 2.865 ( -4.527 0.000 -5.539) 7.153 2.889 ( -6.173 0.000 -0.527) 6.195 2.950 ( -0.643 0.000 -1.452) 1.588 3.071 ( -6.992 0.000 6.001) 9.214 3.100 ( -1.896 0.000 1.757) 2.585 3.168 ( -3.251 0.000 1.727) 3.681 3.312 ( -2.751 0.000 -1.218) 3.008 3.325 ( -6.909 0.000 -4.727) 8.371 3.377 ( 1.758 -0.000 -3.237) 3.684 3.434 ( -5.196 0.000 3.538) 6.287 3.505 ( -0.249 0.000 2.948) 2.959 3.634 ( -1.475 0.000 7.020) 7.174 3.852 ( 3.616 -0.000 0.184) 3.621 3.858 ( 0.572 -0.000 4.135) 4.175 4.106 ( -1.703 0.000 -7.355) 7.549 4.160 ( 5.611 -0.000 1.339) 5.768 4.312 ( 1.657 -0.000 -5.625) 5.864 4.408 ( -3.576 0.000 4.515) 5.759 4.512 ( -4.209 0.000 -0.897) 4.303 4.531 ( -1.466 0.000 3.891) 4.158 4.665 ( -2.805 0.000 -6.130) 6.741 4.756 ( 1.363 -0.000 -3.800) 4.037 4.828 ( 1.353 -0.000 -5.595) 5.756 4.985 ( 0.179 -0.000 2.977) 2.982 5.037 ( -3.168 0.000 -1.582) 3.541 5.186 ( 4.601 -0.000 -0.408) 4.620 5.277 ( 4.736 -0.000 -5.807) 7.493 5.469 ( -1.138 0.000 15.672) 15.713 5.597 ( 1.628 -0.000 7.840) 8.008 5.900 ( -5.653 0.000 3.050) 6.423 5.963 ( -4.216 0.000 0.144) 4.218 6.096 ( 0.064 -0.000 -6.412) 6.412 6.198 ( -2.726 0.000 -8.469) 8.897 6.235 ( -1.760 0.000 -5.799) 6.060 6.278 ( 2.066 -0.000 -4.651) 5.089 6.509 ( -6.254 0.000 8.756) 10.761 6.681 ( -0.120 0.000 6.884) 6.885 6.781 ( -0.397 0.000 -0.071) 0.403 6.827 ( -5.821 0.000 -1.670) 6.056 6.861 ( 2.197 -0.000 -1.165) 2.487 6.956 ( -2.785 0.000 -1.039) 2.973 7.124 ( 4.100 -0.000 1.944) 4.538 7.228 ( -7.203 0.000 3.229) 7.894 7.326 ( 0.351 -0.000 -5.896) 5.906 7.443 ( -11.317 0.000 -3.765) 11.927 7.695 ( -6.614 0.000 9.471) 11.552 7.851 ( -6.461 0.000 0.973) 6.534 8.399 ( -0.564 0.000 6.967) 6.990 8.624 ( 2.318 -0.000 -2.146) 3.159 8.625 ( 0.522 -0.000 -2.552) 2.605 8.658 ( -3.747 0.000 -1.795) 4.155 8.881 ( -8.754 0.000 -0.788) 8.789 8.994 ( 5.367 -0.000 -9.948) 11.304 9.413 ( 8.817 -0.000 7.305) 11.450 9.594 ( 13.424 -0.000 -3.566) 13.889 10.303 ( -1.547 0.000 -1.484) 2.144 10.363 ( 0.935 -0.000 -4.676) 4.769 10.473 ( -4.868 0.000 5.894) 7.644 10.545 ( -2.494 0.000 2.696) 3.673 11.635 ( -6.965 0.000 2.428) 7.376 11.758 ( -1.554 0.000 -2.643) 3.066 11.855 ( 5.387 -0.000 0.861) 5.456 11.878 ( 0.850 -0.000 -0.397) 0.938 11.908 ( 1.485 -0.000 -0.329) 1.520 11.918 ( -0.270 0.000 -0.733) 0.781 12.321 ( 0.952 -0.000 0.190) 0.971 12.336 ( 0.252 -0.000 -0.405) 0.477 13.430 ( -6.072 0.000 2.175) 6.449 13.523 ( -3.911 0.000 -1.889) 4.344 13.830 ( 9.854 -0.000 0.750) 9.882 13.860 ( 10.109 -0.000 -0.564) 10.125 ======================= Grid point 117 (46/75) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -6.245 0.958 2.565) 6.819 0.971 ( -1.455 0.502 0.518) 1.624 1.025 ( -1.109 1.350 3.366) 3.793 1.160 ( -0.424 1.384 -1.979) 2.452 1.212 ( -4.028 0.274 4.522) 6.062 1.217 ( -8.303 7.347 3.590) 11.653 1.331 ( -8.360 -5.140 -0.070) 9.814 1.454 ( -0.916 2.271 -2.525) 3.517 1.527 ( -3.360 -0.416 -8.661) 9.299 1.567 ( -3.050 -3.554 -5.208) 7.004 1.676 ( -1.111 1.522 2.471) 3.107 1.737 ( 0.477 -0.713 0.179) 0.876 1.777 ( -0.358 -0.149 2.829) 2.855 1.819 ( 1.660 0.618 4.300) 4.651 1.827 ( 2.388 -0.969 3.867) 4.647 1.893 ( 1.788 2.785 -1.724) 3.732 1.947 ( 2.191 -1.839 -2.521) 3.813 2.000 ( -0.083 1.039 -1.723) 2.013 2.028 ( 0.325 1.904 0.041) 1.932 2.038 ( -0.670 0.093 1.404) 1.559 2.089 ( -0.307 2.128 -0.270) 2.167 2.117 ( 0.009 -0.423 -1.068) 1.148 2.144 ( 1.121 -2.736 -1.314) 3.235 2.182 ( 0.063 3.605 -6.499) 7.432 2.373 ( -2.701 3.269 1.080) 4.375 2.404 ( -1.462 0.793 0.959) 1.920 2.429 ( 0.965 -1.235 -0.417) 1.622 2.440 ( -1.758 0.379 -2.893) 3.406 2.661 ( -2.118 -1.752 1.969) 3.381 2.718 ( -5.628 -0.375 -0.454) 5.659 2.736 ( -4.724 -0.643 0.930) 4.857 2.790 ( -3.270 -1.931 5.188) 6.429 2.870 ( 1.621 -1.650 -1.115) 2.568 2.924 ( -3.136 0.344 -0.332) 3.172 2.964 ( -4.576 -0.047 3.387) 5.693 3.059 ( -2.834 -1.828 1.636) 3.748 3.138 ( -1.650 -0.941 0.018) 1.899 3.252 ( -3.508 -0.294 0.854) 3.622 3.262 ( 0.077 -0.463 -7.401) 7.415 3.360 ( -2.386 0.641 5.375) 5.916 3.405 ( 1.086 -0.696 -3.899) 4.107 3.518 ( 1.229 0.355 -0.565) 1.399 3.646 ( 2.701 0.303 8.039) 8.486 3.842 ( -1.946 0.122 2.561) 3.219 3.901 ( 1.099 -0.271 -1.747) 2.082 4.053 ( -1.891 0.126 -7.032) 7.283 4.242 ( 2.411 0.763 0.754) 2.639 4.307 ( -2.032 0.218 -2.537) 3.257 4.345 ( -3.380 0.060 1.631) 3.753 4.414 ( -6.096 0.348 -1.352) 6.254 4.460 ( -5.395 0.117 5.438) 7.661 4.591 ( -4.987 -0.354 -2.826) 5.743 4.796 ( 1.707 0.350 -8.031) 8.218 4.835 ( -1.301 -0.320 -12.474) 12.546 5.009 ( 0.970 -0.066 9.144) 9.195 5.062 ( 8.170 -0.224 5.651) 9.936 5.305 ( 7.714 -0.921 -2.976) 8.319 5.364 ( 4.709 -0.237 -4.880) 6.786 5.455 ( -0.524 -0.117 17.044) 17.052 5.606 ( -0.499 0.719 5.013) 5.088 5.794 ( -6.308 -0.147 2.186) 6.677 5.880 ( -5.089 -1.587 2.022) 5.701 6.091 ( -0.653 -0.317 -7.495) 7.530 6.146 ( -2.268 0.797 -9.557) 9.855 6.199 ( -1.962 0.204 -4.943) 5.322 6.317 ( 1.668 -1.013 -6.292) 6.588 6.390 ( -6.840 -0.466 8.770) 11.132 6.663 ( -0.921 1.460 8.158) 8.338 6.714 ( -5.586 -0.710 -7.258) 9.186 6.767 ( -1.815 -0.833 6.962) 7.243 6.900 ( 0.755 1.664 -1.024) 2.095 6.931 ( -0.116 -2.131 -0.034) 2.134 7.054 ( -8.762 -0.354 5.193) 10.192 7.196 ( -5.363 -1.932 -0.659) 5.738 7.245 ( -2.170 -0.800 -1.522) 2.768 7.352 ( -2.458 -1.094 -5.557) 6.174 7.622 ( 0.034 -1.736 2.756) 3.257 7.714 ( -7.426 0.518 -2.964) 8.012 8.413 ( 0.721 -0.728 8.534) 8.595 8.510 ( -10.827 -0.673 1.208) 10.915 8.650 ( 2.000 1.300 0.836) 2.527 8.669 ( 0.024 0.259 -0.256) 0.365 8.709 ( -5.998 0.948 2.262) 6.480 9.128 ( 8.475 0.222 -16.635) 18.670 9.599 ( 11.361 0.551 8.259) 14.056 9.838 ( 12.979 0.085 -6.546) 14.536 10.197 ( -8.116 0.506 0.132) 8.133 10.261 ( -8.946 0.903 -2.894) 9.445 10.460 ( 1.904 -0.115 7.571) 7.807 10.607 ( 7.038 -0.042 0.104) 7.039 11.477 ( -10.432 -0.186 2.544) 10.740 11.626 ( -11.567 -0.689 -3.917) 12.232 11.900 ( 0.585 1.272 0.507) 1.489 11.923 ( 0.835 -1.291 -0.803) 1.734 11.974 ( 6.407 -0.540 0.725) 6.470 11.988 ( 6.267 0.026 -0.129) 6.268 12.339 ( 0.813 0.191 -0.066) 0.837 12.341 ( 0.540 0.073 -0.094) 0.553 13.344 ( -2.736 1.603 2.799) 4.230 13.474 ( -0.955 0.822 -2.938) 3.197 13.988 ( 7.540 0.028 1.100) 7.620 14.023 ( 7.868 0.166 -0.460) 7.883 ======================= Grid point 118 (47/75) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -4.548 4.342 6.112) 8.768 0.910 ( -4.604 8.266 2.425) 9.767 0.987 ( -2.398 3.221 2.644) 4.808 1.020 ( -3.607 0.479 3.315) 4.922 1.131 ( -1.893 1.136 -2.517) 3.348 1.173 ( -0.807 0.362 3.210) 3.330 1.210 ( -6.805 -1.107 -4.528) 8.248 1.442 ( 0.469 0.291 -1.396) 1.501 1.479 ( -1.949 0.381 -5.587) 5.930 1.580 ( 0.567 -4.191 -4.151) 5.926 1.640 ( -0.895 2.215 3.089) 3.904 1.744 ( -2.161 3.222 3.315) 5.103 1.752 ( 0.460 1.829 0.149) 1.892 1.798 ( -1.620 5.682 3.730) 6.987 1.855 ( -1.456 2.904 -0.972) 3.391 1.882 ( -1.372 0.309 2.178) 2.593 1.900 ( -2.130 1.089 -0.983) 2.587 1.974 ( -0.457 -0.140 -1.065) 1.167 2.010 ( 0.207 1.066 -2.000) 2.276 2.043 ( 1.606 -0.566 -0.788) 1.876 2.076 ( 0.443 2.232 0.311) 2.297 2.124 ( 0.387 -0.540 0.228) 0.702 2.170 ( 1.078 -0.619 -2.042) 2.391 2.239 ( 2.885 -1.414 -4.120) 5.224 2.319 ( -0.648 2.465 0.932) 2.714 2.365 ( -1.270 -0.867 -1.039) 1.855 2.442 ( 1.126 -1.011 -2.070) 2.564 2.460 ( 1.010 -0.189 -0.671) 1.227 2.578 ( -6.983 -0.651 -0.305) 7.020 2.598 ( -4.183 -1.971 -1.208) 4.779 2.729 ( 0.435 -1.189 2.667) 2.952 2.788 ( -0.720 -0.515 1.506) 1.747 2.836 ( -4.081 -0.660 -0.190) 4.138 2.902 ( -1.214 -2.459 7.857) 8.321 2.953 ( 2.422 -1.233 1.034) 2.908 3.039 ( -1.164 -4.911 0.200) 5.050 3.095 ( -3.452 -0.694 -1.750) 3.932 3.201 ( -3.008 -1.720 4.727) 5.861 3.307 ( 2.633 -1.164 -6.600) 7.200 3.337 ( 0.203 0.844 5.787) 5.852 3.429 ( 0.537 -1.546 -6.321) 6.530 3.536 ( 1.464 1.095 -3.298) 3.771 3.706 ( 3.866 1.314 7.540) 8.575 3.798 ( -2.513 0.140 2.233) 3.365 3.885 ( -2.412 -0.657 -2.221) 3.344 4.065 ( 3.097 0.483 -5.556) 6.379 4.234 ( -2.813 0.776 -3.879) 4.854 4.248 ( -3.795 0.150 -1.562) 4.107 4.279 ( -3.201 0.445 0.119) 3.234 4.315 ( -3.439 1.181 -0.259) 3.645 4.367 ( -4.202 0.137 6.301) 7.574 4.517 ( -2.787 0.245 2.107) 3.502 4.792 ( -1.874 0.264 -15.011) 15.130 4.815 ( 0.085 0.190 -9.835) 9.837 5.058 ( 3.297 -0.408 15.064) 15.426 5.233 ( 9.360 0.482 5.644) 10.940 5.437 ( 1.314 -0.235 8.510) 8.614 5.449 ( 1.873 -0.704 4.372) 4.808 5.460 ( 6.843 -1.333 -1.263) 7.085 5.567 ( -2.980 0.739 2.637) 4.047 5.677 ( -6.330 -0.231 -1.998) 6.641 5.827 ( -2.757 -3.867 4.450) 6.508 6.074 ( -1.502 -0.139 -10.703) 10.809 6.114 ( -0.498 0.824 -10.783) 10.826 6.168 ( -1.513 -0.183 -1.791) 2.351 6.287 ( -4.399 -1.093 8.976) 10.055 6.349 ( 0.542 -1.034 -6.916) 7.014 6.619 ( -3.354 -0.620 -6.032) 6.929 6.659 ( -0.344 -0.244 7.886) 7.897 6.742 ( -1.981 -0.616 6.710) 7.023 6.860 ( -2.620 0.718 3.445) 4.387 6.937 ( -2.352 -1.887 8.769) 9.273 6.982 ( -0.128 -1.104 -4.846) 4.972 7.029 ( -7.582 -1.056 0.406) 7.666 7.260 ( -5.337 -0.011 -4.080) 6.718 7.321 ( 1.497 -3.858 -4.513) 6.124 7.617 ( -2.097 0.535 -2.605) 3.386 7.708 ( 4.999 -3.501 -4.097) 7.350 8.318 ( -9.461 -0.394 1.983) 9.674 8.385 ( -5.382 -1.019 0.814) 5.538 8.584 ( -1.040 0.338 12.070) 12.119 8.678 ( 1.947 2.126 3.272) 4.361 8.741 ( 3.169 0.871 2.174) 3.941 9.273 ( 6.857 -0.968 -17.999) 19.285 9.784 ( 8.906 0.621 6.394) 10.981 10.032 ( 7.675 -0.338 -9.320) 12.078 10.057 ( -6.409 0.205 0.391) 6.424 10.095 ( -7.905 0.076 -1.391) 8.027 10.516 ( 4.441 1.054 10.957) 11.870 10.758 ( 10.170 1.249 -2.089) 10.457 11.281 ( -10.486 -0.258 1.495) 10.595 11.381 ( -15.538 -0.748 -2.891) 15.822 11.898 ( 0.341 1.260 0.833) 1.549 11.943 ( 0.201 -1.549 -1.289) 2.025 12.078 ( 4.195 -0.014 0.398) 4.214 12.082 ( 4.006 0.831 0.174) 4.095 12.343 ( 0.302 0.457 0.180) 0.577 12.355 ( 0.659 0.082 -0.146) 0.679 13.299 ( -0.334 3.865 3.281) 5.081 13.476 ( 1.350 0.294 -4.659) 4.860 14.095 ( 4.299 0.153 1.687) 4.621 14.134 ( 4.529 0.304 -0.148) 4.542 ======================= Grid point 119 (48/75) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -0.000 7.601 8.426) 11.348 0.746 ( -0.000 11.896 6.363) 13.491 0.944 ( -0.000 3.024 -1.182) 3.247 1.011 ( 0.000 -0.701 3.397) 3.468 1.082 ( -0.000 3.616 -10.181) 10.804 1.156 ( 0.000 -0.654 -2.349) 2.438 1.170 ( 0.000 -1.147 4.954) 5.085 1.440 ( -0.000 3.549 -8.025) 8.774 1.459 ( 0.000 -1.332 6.700) 6.831 1.592 ( -0.000 17.831 4.322) 18.347 1.623 ( -0.000 0.666 2.946) 3.020 1.649 ( 0.000 -6.661 -4.054) 7.798 1.702 ( -0.000 7.893 6.227) 10.053 1.763 ( -0.000 0.808 -2.933) 3.042 1.806 ( -0.000 5.038 -2.966) 5.846 1.875 ( -0.000 1.183 -3.788) 3.969 1.895 ( 0.000 -4.055 5.328) 6.695 1.974 ( 0.000 -1.086 -0.782) 1.338 2.005 ( -0.000 1.714 -2.007) 2.639 2.064 ( -0.000 1.972 3.153) 3.719 2.077 ( 0.000 -1.837 -3.493) 3.946 2.139 ( 0.000 -2.918 0.508) 2.961 2.184 ( 0.000 -0.589 -1.722) 1.820 2.252 ( -0.000 2.575 -0.985) 2.757 2.322 ( 0.000 -1.089 -1.336) 1.724 2.378 ( 0.000 -3.826 -3.407) 5.123 2.454 ( -0.000 0.478 0.786) 0.919 2.487 ( -0.000 0.586 -0.625) 0.857 2.501 ( 0.000 -3.318 -1.910) 3.829 2.577 ( 0.000 -2.252 -2.159) 3.120 2.745 ( 0.000 -0.131 0.379) 0.401 2.787 ( 0.000 -2.781 4.308) 5.127 2.799 ( 0.000 -1.075 -2.352) 2.586 2.917 ( 0.000 -1.181 3.951) 4.123 2.969 ( 0.000 -0.584 2.528) 2.594 3.054 ( 0.000 -0.034 -0.961) 0.962 3.129 ( 0.000 -10.685 3.269) 11.174 3.160 ( -0.000 0.624 3.706) 3.758 3.340 ( 0.000 -0.014 6.191) 6.191 3.343 ( 0.000 -1.367 -4.110) 4.331 3.446 ( 0.000 -1.208 -7.705) 7.799 3.545 ( -0.000 1.595 -3.988) 4.296 3.735 ( -0.000 3.111 7.373) 8.003 3.766 ( 0.000 -0.603 1.960) 2.051 3.862 ( 0.000 -0.752 -2.284) 2.405 4.125 ( 0.000 -0.053 1.507) 1.508 4.163 ( -0.000 0.496 -13.795) 13.804 4.200 ( -0.000 0.474 -1.761) 1.824 4.245 ( -0.000 1.793 1.243) 2.182 4.274 ( -0.000 1.441 0.244) 1.462 4.325 ( -0.000 0.221 6.660) 6.664 4.488 ( -0.000 0.943 4.057) 4.165 4.770 ( -0.000 0.158 -16.210) 16.211 4.812 ( -0.000 0.897 -9.422) 9.464 5.100 ( 0.000 -0.709 16.498) 16.513 5.331 ( -0.000 0.984 6.983) 7.052 5.427 ( -0.000 0.268 18.477) 18.479 5.484 ( 0.000 -0.252 -0.449) 0.514 5.520 ( -0.000 0.101 1.467) 1.470 5.569 ( 0.000 -0.206 -0.939) 0.962 5.597 ( 0.000 -2.868 -7.459) 7.992 5.843 ( 0.000 -5.679 4.530) 7.265 6.054 ( -0.000 0.200 -12.474) 12.475 6.109 ( -0.000 0.882 -12.607) 12.638 6.147 ( -0.000 0.117 2.396) 2.399 6.265 ( 0.000 -2.540 8.497) 8.868 6.354 ( 0.000 -0.281 -6.554) 6.560 6.603 ( 0.000 -2.686 -6.856) 7.364 6.665 ( 0.000 -0.754 9.647) 9.676 6.720 ( 0.000 -0.226 5.455) 5.460 6.829 ( 0.000 -0.084 4.053) 4.054 6.928 ( 0.000 -2.260 9.539) 9.803 6.949 ( 0.000 -0.035 2.581) 2.582 7.009 ( 0.000 -1.977 -5.458) 5.805 7.203 ( -0.000 0.143 -5.475) 5.477 7.358 ( 0.000 -3.655 -9.478) 10.158 7.608 ( -0.000 0.064 0.715) 0.718 7.793 ( 0.000 -3.838 -6.217) 7.306 8.223 ( 0.000 -0.580 2.520) 2.586 8.325 ( 0.000 -0.539 -1.952) 2.025 8.593 ( 0.000 -1.934 16.756) 16.867 8.678 ( -0.000 2.736 4.659) 5.403 8.767 ( -0.000 1.074 2.827) 3.024 9.360 ( 0.000 -2.996 -18.241) 18.486 9.880 ( 0.000 -0.496 4.735) 4.761 9.984 ( -0.000 0.462 0.540) 0.710 10.008 ( -0.000 0.461 -0.521) 0.696 10.107 ( 0.000 -0.044 -10.174) 10.174 10.566 ( -0.000 0.723 12.626) 12.647 10.895 ( -0.000 2.238 -4.769) 5.268 11.168 ( -0.000 0.010 0.138) 0.138 11.174 ( -0.000 0.001 -0.139) 0.139 11.891 ( -0.000 1.444 1.262) 1.918 11.955 ( 0.000 -1.315 -1.776) 2.210 12.107 ( -0.000 1.585 0.528) 1.670 12.118 ( 0.000 -0.250 0.248) 0.352 12.342 ( -0.000 0.622 0.320) 0.699 12.360 ( -0.000 0.165 -0.153) 0.225 13.258 ( -0.000 6.266 3.863) 7.361 13.496 ( 0.000 -0.125 -7.274) 7.275 14.135 ( -0.000 0.012 2.211) 2.211 14.174 ( -0.000 0.322 0.137) 0.350 ======================= Grid point 126 (49/75) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -3.785 0.000 6.144) 7.216 0.965 ( 0.509 -0.000 -0.048) 0.511 1.014 ( -0.631 0.000 3.698) 3.751 1.063 ( -11.101 0.000 3.710) 11.704 1.141 ( -1.582 0.000 1.882) 2.459 1.162 ( -6.693 0.000 -0.248) 6.698 1.184 ( -0.367 0.000 0.503) 0.622 1.483 ( -1.137 0.000 -7.111) 7.202 1.484 ( 1.592 -0.000 -3.523) 3.866 1.496 ( -2.047 0.000 -7.585) 7.856 1.679 ( -0.158 0.000 3.257) 3.261 1.734 ( 0.589 -0.000 2.898) 2.957 1.784 ( 0.004 -0.000 3.048) 3.048 1.828 ( 0.757 -0.000 4.471) 4.535 1.858 ( 0.929 -0.000 0.320) 0.983 1.916 ( -4.542 0.000 -2.342) 5.110 1.919 ( -3.118 0.000 -1.205) 3.343 1.964 ( 1.538 -0.000 -2.055) 2.567 2.015 ( -1.236 0.000 0.918) 1.540 2.051 ( 0.034 -0.000 -0.602) 0.603 2.079 ( -0.588 0.000 0.224) 0.629 2.147 ( 0.939 -0.000 -2.291) 2.476 2.162 ( 2.168 -0.000 -1.186) 2.472 2.222 ( 2.047 -0.000 -9.443) 9.662 2.339 ( -1.529 0.000 2.883) 3.264 2.369 ( -2.075 0.000 0.575) 2.153 2.446 ( 2.118 -0.000 -1.186) 2.428 2.450 ( 1.110 -0.000 -0.092) 1.113 2.577 ( -6.479 0.000 -0.883) 6.539 2.580 ( -4.160 0.000 -1.129) 4.311 2.719 ( 0.503 -0.000 2.991) 3.033 2.781 ( 0.971 -0.000 6.004) 6.082 2.833 ( -5.551 0.000 1.648) 5.791 2.848 ( -1.733 0.000 8.910) 9.077 2.964 ( 2.426 -0.000 -4.228) 4.874 2.994 ( -3.051 0.000 1.795) 3.540 3.090 ( -3.131 0.000 -2.151) 3.798 3.191 ( -2.329 0.000 4.348) 4.933 3.296 ( 2.616 -0.000 -6.907) 7.385 3.345 ( -0.016 0.000 5.921) 5.921 3.413 ( 0.127 -0.000 -7.427) 7.428 3.545 ( 1.460 -0.000 -3.205) 3.522 3.716 ( 4.007 -0.000 7.270) 8.301 3.800 ( -2.352 0.000 2.371) 3.340 3.880 ( -2.344 0.000 -2.249) 3.249 4.069 ( 3.030 -0.000 -5.207) 6.024 4.241 ( -3.385 0.000 -5.146) 6.159 4.248 ( -4.070 0.000 -1.765) 4.436 4.285 ( -2.146 0.000 0.786) 2.286 4.324 ( -3.617 0.000 0.194) 3.622 4.368 ( -4.156 0.000 5.811) 7.144 4.520 ( -2.315 0.000 2.665) 3.530 4.794 ( -2.230 0.000 -15.785) 15.941 4.816 ( 0.639 -0.000 -9.007) 9.029 5.055 ( 3.185 -0.000 15.264) 15.593 5.238 ( 9.823 -0.000 4.764) 10.917 5.431 ( 3.233 -0.000 5.399) 6.293 5.442 ( 3.715 -0.000 -3.677) 5.227 5.454 ( 3.423 -0.000 9.457) 10.057 5.575 ( -3.297 0.000 2.706) 4.265 5.676 ( -6.541 0.000 -1.317) 6.672 5.794 ( -3.234 0.000 4.711) 5.714 6.072 ( -1.264 0.000 -10.494) 10.570 6.120 ( -0.777 0.000 -10.973) 11.001 6.167 ( -1.562 0.000 -2.682) 3.104 6.279 ( -4.688 0.000 8.666) 9.853 6.339 ( 1.117 -0.000 -6.620) 6.713 6.612 ( -4.632 0.000 -8.456) 9.641 6.661 ( 0.065 -0.000 10.805) 10.806 6.735 ( -1.544 0.000 6.305) 6.492 6.865 ( -3.163 0.000 3.538) 4.746 6.922 ( -2.737 0.000 8.607) 9.031 6.972 ( 1.041 -0.000 -4.520) 4.639 7.023 ( -7.851 0.000 0.617) 7.875 7.261 ( -5.408 0.000 -4.072) 6.770 7.288 ( 2.328 -0.000 -3.853) 4.502 7.623 ( -2.356 0.000 -3.448) 4.176 7.679 ( 5.171 -0.000 -3.563) 6.280 8.314 ( -9.494 0.000 2.053) 9.714 8.376 ( -4.672 0.000 1.211) 4.826 8.588 ( -1.924 0.000 10.765) 10.936 8.695 ( 1.949 -0.000 2.678) 3.312 8.748 ( 3.108 -0.000 2.472) 3.971 9.266 ( 6.357 -0.000 -17.950) 19.043 9.789 ( 8.438 -0.000 6.361) 10.567 10.021 ( 4.205 -0.000 -6.315) 7.587 10.068 ( -2.924 0.000 -2.174) 3.644 10.096 ( -8.129 0.000 -1.372) 8.244 10.525 ( 4.573 -0.000 10.818) 11.745 10.768 ( 10.582 -0.000 -2.107) 10.790 11.280 ( -10.379 0.000 1.475) 10.483 11.376 ( -15.057 0.000 -2.702) 15.297 11.918 ( 0.329 -0.000 -0.131) 0.354 11.919 ( 0.201 -0.000 -0.331) 0.388 12.078 ( 4.483 -0.000 0.409) 4.502 12.090 ( 4.256 -0.000 -0.156) 4.259 12.347 ( 0.272 -0.000 0.181) 0.327 12.355 ( 0.693 -0.000 -0.125) 0.704 13.329 ( -0.099 0.000 2.872) 2.873 13.476 ( 0.520 -0.000 -3.622) 3.659 14.097 ( 4.289 -0.000 1.607) 4.580 14.137 ( 4.462 -0.000 -0.213) 4.467 ======================= Grid point 128 (50/75) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -0.000 2.512 8.712) 9.067 0.909 ( -0.000 7.920 3.945) 8.848 0.977 ( -0.000 0.961 0.429) 1.052 1.007 ( -0.000 0.297 3.667) 3.679 1.094 ( 0.000 -2.023 -4.025) 4.505 1.132 ( 0.000 -1.261 1.759) 2.164 1.178 ( -0.000 0.790 0.075) 0.794 1.458 ( -0.000 2.444 -0.301) 2.462 1.470 ( -0.000 0.868 -10.684) 10.719 1.541 ( 0.000 -6.457 -3.911) 7.549 1.664 ( -0.000 2.947 3.833) 4.835 1.756 ( 0.000 -1.602 0.755) 1.771 1.762 ( -0.000 4.184 4.455) 6.111 1.828 ( -0.000 6.577 -0.059) 6.577 1.850 ( 0.000 -1.335 3.957) 4.176 1.864 ( -0.000 1.597 -0.537) 1.684 1.881 ( 0.000 -0.397 -3.102) 3.128 1.971 ( -0.000 1.369 -0.177) 1.381 2.017 ( 0.000 -1.617 -1.487) 2.196 2.055 ( 0.000 -0.845 -4.180) 4.265 2.071 ( 0.000 -0.270 3.594) 3.604 2.146 ( -0.000 2.563 -1.822) 3.144 2.180 ( -0.000 0.384 -2.017) 2.053 2.250 ( 0.000 -1.926 -7.166) 7.420 2.327 ( -0.000 0.574 1.835) 1.923 2.347 ( -0.000 0.610 1.362) 1.493 2.460 ( -0.000 0.190 0.815) 0.837 2.485 ( -0.000 0.906 -1.217) 1.517 2.494 ( -0.000 0.197 -0.599) 0.631 2.548 ( 0.000 -1.523 -2.442) 2.878 2.747 ( -0.000 0.267 0.426) 0.502 2.758 ( 0.000 -0.798 5.042) 5.105 2.783 ( 0.000 -0.792 -1.224) 1.458 2.869 ( 0.000 -5.418 14.573) 15.547 2.963 ( 0.000 -0.194 2.039) 2.048 3.002 ( 0.000 -3.002 -3.608) 4.694 3.054 ( -0.000 0.001 -2.114) 2.114 3.168 ( -0.000 0.297 3.661) 3.673 3.327 ( 0.000 -0.610 -3.549) 3.601 3.345 ( -0.000 0.395 6.254) 6.266 3.419 ( 0.000 -1.542 -10.778) 10.888 3.560 ( -0.000 0.464 -3.907) 3.934 3.760 ( 0.000 -0.176 1.883) 1.891 3.769 ( -0.000 1.153 7.118) 7.211 3.855 ( 0.000 -0.237 -2.258) 2.270 4.125 ( -0.000 0.006 1.541) 1.541 4.171 ( -0.000 0.385 -14.150) 14.155 4.203 ( -0.000 0.034 -1.783) 1.784 4.266 ( -0.000 0.769 1.146) 1.380 4.289 ( -0.000 0.428 1.564) 1.621 4.328 ( -0.000 0.188 5.507) 5.511 4.500 ( -0.000 0.447 4.775) 4.796 4.772 ( -0.000 0.061 -16.268) 16.268 4.821 ( -0.000 0.294 -9.203) 9.208 5.091 ( 0.000 -0.310 16.959) 16.962 5.348 ( -0.000 0.786 5.122) 5.181 5.430 ( -0.000 0.115 18.528) 18.529 5.482 ( 0.000 -0.070 -2.526) 2.527 5.521 ( -0.000 0.013 1.041) 1.041 5.566 ( 0.000 -1.058 -6.091) 6.182 5.567 ( 0.000 -0.063 -0.573) 0.577 5.775 ( 0.000 -2.577 5.405) 5.987 6.056 ( -0.000 0.081 -12.367) 12.367 6.116 ( -0.000 0.186 -13.885) 13.886 6.149 ( -0.000 0.046 2.268) 2.268 6.239 ( 0.000 -0.790 7.742) 7.782 6.350 ( 0.000 -0.114 -6.417) 6.418 6.571 ( 0.000 -1.130 -8.696) 8.769 6.664 ( -0.000 0.152 11.711) 11.712 6.718 ( 0.000 -0.090 5.369) 5.370 6.828 ( 0.000 -0.037 3.684) 3.684 6.903 ( 0.000 -0.916 10.843) 10.881 6.949 ( 0.000 -0.010 2.899) 2.899 6.989 ( 0.000 -0.566 -5.214) 5.245 7.205 ( -0.000 0.056 -5.475) 5.475 7.313 ( 0.000 -1.715 -7.660) 7.849 7.610 ( -0.000 0.166 -1.287) 1.297 7.746 ( 0.000 -1.845 -5.257) 5.571 8.217 ( 0.000 -0.228 2.541) 2.551 8.319 ( 0.000 -0.212 -1.954) 1.965 8.581 ( 0.000 -0.149 14.795) 14.796 8.710 ( -0.000 1.135 3.462) 3.643 8.778 ( -0.000 0.380 3.087) 3.110 9.333 ( 0.000 -0.764 -18.246) 18.262 9.872 ( 0.000 -0.351 5.000) 5.012 9.989 ( -0.000 0.181 0.539) 0.569 10.013 ( -0.000 0.181 -0.522) 0.552 10.106 ( 0.000 -0.027 -10.067) 10.067 10.579 ( -0.000 0.636 12.985) 13.001 10.921 ( -0.000 0.933 -4.799) 4.889 11.168 ( -0.000 0.004 0.135) 0.135 11.174 ( -0.000 0.001 -0.137) 0.137 11.911 ( -0.000 1.241 0.265) 1.269 11.932 ( 0.000 -1.514 -0.718) 1.676 12.119 ( -0.000 0.210 0.235) 0.316 12.127 ( -0.000 0.674 -0.119) 0.684 12.349 ( -0.000 0.226 0.328) 0.398 12.362 ( -0.000 0.050 -0.119) 0.129 13.323 ( -0.000 2.091 2.956) 3.620 13.485 ( 0.000 -0.673 -4.312) 4.364 14.136 ( -0.000 0.074 1.906) 1.907 14.178 ( -0.000 0.092 -0.026) 0.095 ======================= Grid point 170 (51/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.000 0.000 -14.321) 14.321 0.585 ( 0.000 0.000 14.321) 14.321 0.628 ( 0.000 0.000 -16.691) 16.691 0.628 ( 0.000 0.000 16.691) 16.691 1.119 ( 0.000 0.000 -19.126) 19.126 1.119 ( 0.000 0.000 19.126) 19.126 1.165 ( 0.000 0.000 -3.252) 3.252 1.165 ( 0.000 0.000 3.252) 3.252 1.431 ( 0.000 0.000 -7.269) 7.269 1.431 ( 0.000 0.000 7.269) 7.269 1.601 ( 0.000 0.000 -8.447) 8.447 1.601 ( 0.000 0.000 8.447) 8.447 1.618 ( 0.000 0.000 -6.237) 6.237 1.618 ( 0.000 0.000 6.237) 6.237 1.777 ( 0.000 0.000 -2.797) 2.797 1.777 ( 0.000 0.000 2.797) 2.797 2.031 ( 0.000 0.000 -1.230) 1.230 2.031 ( 0.000 0.000 1.230) 1.230 2.088 ( 0.000 0.000 -3.282) 3.282 2.088 ( 0.000 0.000 3.282) 3.282 2.168 ( 0.000 0.000 -2.169) 2.169 2.168 ( 0.000 0.000 2.169) 2.169 2.216 ( 0.000 0.000 -0.722) 0.722 2.216 ( 0.000 0.000 0.722) 0.722 2.447 ( 0.000 0.000 -0.375) 0.375 2.447 ( 0.000 0.000 0.375) 0.375 2.453 ( 0.000 0.000 -4.365) 4.365 2.453 ( 0.000 0.000 4.365) 4.365 2.657 ( 0.000 0.000 -0.216) 0.216 2.657 ( 0.000 0.000 0.216) 0.216 2.768 ( 0.000 0.000 -1.406) 1.406 2.768 ( 0.000 0.000 1.406) 1.406 2.993 ( 0.000 0.000 -0.288) 0.288 2.993 ( 0.000 0.000 0.288) 0.288 3.048 ( 0.000 0.000 -2.865) 2.865 3.048 ( 0.000 0.000 2.865) 2.865 3.219 ( 0.000 0.000 -7.149) 7.149 3.219 ( 0.000 0.000 7.149) 7.149 3.261 ( 0.000 0.000 -7.830) 7.830 3.261 ( 0.000 0.000 7.830) 7.830 3.373 ( 0.000 0.000 -4.900) 4.900 3.373 ( 0.000 0.000 4.900) 4.900 3.856 ( 0.000 0.000 -3.082) 3.082 3.856 ( 0.000 0.000 3.082) 3.082 3.928 ( 0.000 0.000 -12.717) 12.717 3.928 ( 0.000 0.000 12.717) 12.717 4.134 ( 0.000 0.000 -0.473) 0.473 4.134 ( 0.000 0.000 0.473) 0.473 4.203 ( 0.000 0.000 -2.170) 2.170 4.203 ( 0.000 0.000 2.170) 2.170 4.503 ( 0.000 0.000 -12.482) 12.482 4.503 ( 0.000 0.000 12.482) 12.482 4.572 ( 0.000 0.000 -9.728) 9.728 4.572 ( 0.000 0.000 9.728) 9.728 5.395 ( 0.000 0.000 -8.731) 8.731 5.395 ( 0.000 0.000 8.731) 8.731 5.546 ( 0.000 0.000 -1.899) 1.899 5.546 ( 0.000 0.000 1.899) 1.899 5.632 ( 0.000 0.000 -0.071) 0.071 5.632 ( 0.000 0.000 0.071) 0.071 5.756 ( 0.000 0.000 -17.865) 17.865 5.756 ( 0.000 0.000 17.865) 17.865 5.964 ( 0.000 0.000 -1.657) 1.657 5.964 ( 0.000 0.000 1.657) 1.657 6.236 ( 0.000 0.000 -6.569) 6.569 6.236 ( 0.000 0.000 6.569) 6.569 6.705 ( 0.000 0.000 -6.526) 6.526 6.705 ( 0.000 0.000 6.526) 6.526 6.806 ( 0.000 0.000 -3.244) 3.244 6.806 ( 0.000 0.000 3.244) 3.244 6.824 ( 0.000 0.000 -4.186) 4.186 6.824 ( 0.000 0.000 4.186) 4.186 7.066 ( 0.000 0.000 -8.451) 8.451 7.066 ( 0.000 0.000 8.451) 8.451 7.434 ( 0.000 0.000 -0.586) 0.586 7.434 ( 0.000 0.000 0.586) 0.586 7.619 ( 0.000 0.000 -6.033) 6.033 7.619 ( 0.000 0.000 6.033) 6.033 8.298 ( 0.000 0.000 -3.043) 3.043 8.298 ( 0.000 0.000 3.043) 3.043 8.637 ( 0.000 0.000 -3.447) 3.447 8.637 ( 0.000 0.000 3.447) 3.447 9.512 ( 0.000 0.000 -4.277) 4.277 9.512 ( 0.000 0.000 4.277) 4.277 9.839 ( 0.000 0.000 -0.189) 0.189 9.839 ( 0.000 0.000 0.189) 0.189 9.978 ( 0.000 0.000 -0.753) 0.753 9.978 ( 0.000 0.000 0.753) 0.753 10.808 ( 0.000 0.000 -2.056) 2.056 10.808 ( 0.000 0.000 2.056) 2.056 11.171 ( 0.000 0.000 -0.206) 0.206 11.171 ( 0.000 0.000 0.206) 0.206 11.831 ( 0.000 0.000 -3.473) 3.473 11.831 ( 0.000 0.000 3.473) 3.473 12.265 ( 0.000 0.000 -5.408) 5.408 12.265 ( 0.000 0.000 5.408) 5.408 12.331 ( 0.000 0.000 -0.300) 0.300 12.331 ( 0.000 0.000 0.300) 0.300 12.850 ( 0.000 0.000 -0.181) 0.181 12.850 ( 0.000 0.000 0.181) 0.181 14.163 ( 0.000 0.000 -0.708) 0.708 14.163 ( 0.000 0.000 0.708) 0.708 ======================= Grid point 172 (52/75) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 6.291 -2.471 -5.234) 8.548 0.640 ( 6.291 -2.471 5.234) 8.548 0.750 ( 8.791 -2.225 -6.481) 11.146 0.750 ( 8.791 -2.225 6.481) 11.146 1.155 ( -0.354 0.634 -2.787) 2.880 1.155 ( -0.354 0.634 2.787) 2.880 1.225 ( 8.095 -3.155 -11.288) 14.245 1.225 ( 8.095 -3.155 11.288) 14.245 1.449 ( 2.952 -1.469 -11.727) 12.182 1.449 ( 2.952 -1.469 11.727) 12.182 1.627 ( 1.674 -0.305 -6.463) 6.683 1.627 ( 1.674 -0.305 6.463) 6.683 1.648 ( 3.335 -1.508 -6.156) 7.162 1.648 ( 3.335 -1.508 6.156) 7.162 1.782 ( 1.171 1.652 -2.794) 3.451 1.782 ( 1.171 1.652 2.794) 3.451 2.007 ( -2.000 1.329 -1.745) 2.969 2.007 ( -2.000 1.329 1.745) 2.969 2.054 ( -3.029 0.565 -2.832) 4.185 2.054 ( -3.029 0.565 2.832) 4.185 2.141 ( -2.809 0.417 -2.680) 3.905 2.141 ( -2.809 0.417 2.680) 3.905 2.205 ( -1.711 -0.871 -2.786) 3.383 2.205 ( -1.711 -0.871 2.786) 3.383 2.288 ( -6.637 -0.242 -2.133) 6.975 2.288 ( -6.637 -0.242 2.133) 6.975 2.563 ( 2.005 3.096 -1.549) 4.000 2.563 ( 2.005 3.096 1.549) 4.000 2.686 ( 5.689 0.754 -0.888) 5.807 2.686 ( 5.689 0.754 0.888) 5.807 2.792 ( 2.196 -0.047 -1.151) 2.480 2.792 ( 2.196 -0.047 1.151) 2.480 2.906 ( -3.158 0.555 -2.418) 4.016 2.906 ( -3.158 0.555 2.418) 4.016 3.113 ( -0.438 0.604 -4.762) 4.820 3.113 ( -0.438 0.604 4.762) 4.820 3.210 ( 2.081 -0.204 -4.273) 4.758 3.210 ( 2.081 -0.204 4.273) 4.758 3.313 ( 2.623 -1.775 -5.326) 6.197 3.313 ( 2.623 -1.775 5.326) 6.197 3.392 ( 1.616 -0.686 -4.907) 5.211 3.392 ( 1.616 -0.686 4.907) 5.211 3.848 ( -2.932 0.093 -9.718) 10.151 3.848 ( -2.932 0.093 9.718) 10.151 3.889 ( 1.237 0.459 -5.985) 6.129 3.889 ( 1.237 0.459 5.985) 6.129 4.191 ( 2.693 -0.763 -1.047) 2.988 4.191 ( 2.693 -0.763 1.047) 2.988 4.247 ( 4.025 -0.149 -3.370) 5.251 4.247 ( 4.025 -0.149 3.370) 5.251 4.546 ( 4.641 0.162 -10.813) 11.768 4.546 ( 4.641 0.162 10.813) 11.768 4.599 ( 2.717 -0.404 -8.414) 8.851 4.599 ( 2.717 -0.404 8.414) 8.851 5.325 ( -6.150 0.604 -7.948) 10.068 5.325 ( -6.150 0.604 7.948) 10.068 5.502 ( -6.484 1.108 -1.693) 6.793 5.502 ( -6.484 1.108 1.693) 6.793 5.617 ( 0.427 0.606 -2.779) 2.877 5.617 ( 0.427 0.606 2.779) 2.877 5.798 ( 4.316 0.031 -16.806) 17.352 5.798 ( 4.316 0.031 16.806) 17.352 5.974 ( 1.309 0.018 -0.548) 1.420 5.974 ( 1.309 0.018 0.548) 1.420 6.245 ( 0.487 -0.065 -6.293) 6.313 6.245 ( 0.487 -0.065 6.293) 6.313 6.668 ( -0.820 4.572 -5.631) 7.300 6.668 ( -0.820 4.572 5.631) 7.300 6.754 ( -2.878 -2.550 -1.619) 4.173 6.754 ( -2.878 -2.550 1.619) 4.173 6.854 ( 2.692 -0.402 -4.366) 5.145 6.854 ( 2.692 -0.402 4.366) 5.145 7.214 ( 10.661 0.799 -0.708) 10.714 7.214 ( 10.661 0.799 0.708) 10.714 7.404 ( 0.755 7.441 -4.581) 8.770 7.404 ( 0.755 7.441 4.581) 8.770 7.655 ( 2.267 -3.280 -6.757) 7.846 7.655 ( 2.267 -3.280 6.757) 7.846 8.360 ( 6.656 -0.176 -2.476) 7.104 8.360 ( 6.656 -0.176 2.476) 7.104 8.610 ( -3.600 -2.071 -2.820) 5.020 8.610 ( -3.600 -2.071 2.820) 5.020 9.232 ( -17.753 7.673 -12.470) 23.012 9.232 ( -17.753 7.673 12.470) 23.012 9.769 ( -8.544 -3.265 -1.541) 9.275 9.769 ( -8.544 -3.265 1.541) 9.275 10.106 ( 8.068 0.559 -1.111) 8.163 10.106 ( 8.068 0.559 1.111) 8.163 10.682 ( -5.377 1.271 -2.359) 6.008 10.682 ( -5.377 1.271 2.359) 6.008 11.415 ( 17.266 2.635 -7.770) 19.116 11.415 ( 17.266 2.635 7.770) 19.116 11.832 ( -0.904 -2.374 -3.418) 4.259 11.832 ( -0.904 -2.374 3.418) 4.259 12.211 ( -3.114 4.685 -4.759) 7.369 12.211 ( -3.114 4.685 4.759) 7.369 12.328 ( -0.441 -0.323 -1.686) 1.773 12.328 ( -0.441 -0.323 1.686) 1.773 12.941 ( 4.112 -10.598 -2.066) 11.554 12.941 ( 4.112 -10.598 2.066) 11.554 14.108 ( -5.406 -0.207 -0.218) 5.414 14.108 ( -5.406 -0.207 0.218) 5.414 ======================= Grid point 174 (53/75) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 10.032 -2.726 -2.846) 10.778 0.819 ( 10.032 -2.726 2.846) 10.778 0.926 ( 8.207 -3.286 -3.679) 9.575 0.926 ( 8.207 -3.286 3.679) 9.575 1.144 ( -0.248 0.221 -2.261) 2.285 1.144 ( -0.248 0.221 2.261) 2.285 1.341 ( 3.464 -0.472 -4.196) 5.461 1.341 ( 3.464 -0.472 4.196) 5.461 1.605 ( 7.548 -1.087 -8.258) 11.240 1.605 ( 7.548 -1.087 8.258) 11.240 1.698 ( 6.393 -3.312 -7.802) 10.616 1.698 ( 6.393 -3.312 7.802) 10.616 1.730 ( 3.743 -2.221 -3.613) 5.657 1.730 ( 3.743 -2.221 3.613) 5.657 1.797 ( 2.823 2.110 -3.052) 4.662 1.797 ( 2.823 2.110 3.052) 4.662 1.950 ( -2.802 0.658 -0.622) 2.944 1.950 ( -2.802 0.658 0.622) 2.944 1.998 ( -1.798 0.933 -1.526) 2.536 1.998 ( -1.798 0.933 1.526) 2.536 2.058 ( -6.020 -0.587 -2.310) 6.475 2.058 ( -6.020 -0.587 2.310) 6.475 2.173 ( -2.033 -0.224 -1.688) 2.652 2.173 ( -2.033 -0.224 1.688) 2.652 2.229 ( -1.680 -2.619 -1.136) 3.312 2.229 ( -1.680 -2.619 1.136) 3.312 2.526 ( -1.479 3.790 -1.648) 4.390 2.526 ( -1.479 3.790 1.648) 4.390 2.782 ( 1.645 1.327 -0.408) 2.152 2.782 ( 1.645 1.327 0.408) 2.152 2.840 ( 3.567 -0.507 -0.894) 3.712 2.840 ( 3.567 -0.507 0.894) 3.712 2.891 ( 2.486 1.061 -2.394) 3.610 2.891 ( 2.486 1.061 2.394) 3.610 3.091 ( 0.681 -0.768 -6.937) 7.013 3.091 ( 0.681 -0.768 6.937) 7.013 3.246 ( 2.008 2.526 -0.944) 3.362 3.246 ( 2.008 2.526 0.944) 3.362 3.349 ( -0.180 -1.118 -2.697) 2.925 3.349 ( -0.180 -1.118 2.697) 2.925 3.431 ( 2.457 0.028 -4.445) 5.079 3.431 ( 2.457 0.028 4.445) 5.079 3.812 ( -0.613 -0.095 -9.863) 9.883 3.812 ( -0.613 -0.095 9.863) 9.883 3.933 ( 3.062 0.539 -4.994) 5.883 3.933 ( 3.062 0.539 4.994) 5.883 4.217 ( -1.177 -1.259 -3.479) 3.882 4.217 ( -1.177 -1.259 3.479) 3.882 4.321 ( 4.105 -1.119 -2.549) 4.960 4.321 ( 4.105 -1.119 2.549) 4.960 4.639 ( 4.985 0.259 -8.460) 9.822 4.639 ( 4.985 0.259 8.460) 9.822 4.663 ( 3.761 0.648 -6.479) 7.520 4.663 ( 3.761 0.648 6.479) 7.520 5.192 ( -7.249 1.582 -4.587) 8.723 5.192 ( -7.249 1.582 4.587) 8.723 5.350 ( -7.657 1.370 -0.914) 7.832 5.350 ( -7.657 1.370 0.914) 7.832 5.622 ( 0.064 -0.434 -1.752) 1.806 5.622 ( 0.064 -0.434 1.752) 1.806 5.886 ( 4.832 0.215 -11.954) 12.896 5.886 ( 4.832 0.215 11.954) 12.896 6.016 ( 3.422 0.331 -0.481) 3.472 6.016 ( 3.422 0.331 0.481) 3.472 6.242 ( -0.782 0.038 -5.633) 5.687 6.242 ( -0.782 0.038 5.633) 5.687 6.645 ( 1.163 2.789 -4.121) 5.110 6.645 ( 1.163 2.789 4.121) 5.110 6.753 ( 1.076 -0.616 -2.248) 2.567 6.753 ( 1.076 -0.616 2.248) 2.567 6.909 ( 2.083 -1.523 -4.885) 5.524 6.909 ( 2.083 -1.523 4.885) 5.524 7.296 ( 0.942 5.130 -2.499) 5.784 7.296 ( 0.942 5.130 2.499) 5.784 7.417 ( 4.978 2.313 -2.633) 6.088 7.417 ( 4.978 2.313 2.633) 6.088 7.748 ( 7.167 1.209 -4.336) 8.464 7.748 ( 7.167 1.209 4.336) 8.464 8.516 ( 5.816 -2.074 -1.216) 6.293 8.516 ( 5.816 -2.074 1.216) 6.293 8.568 ( 0.689 -1.925 -0.608) 2.133 8.568 ( 0.689 -1.925 0.608) 2.133 8.911 ( -11.979 4.251 -14.187) 19.048 8.911 ( -11.979 4.251 14.187) 19.048 9.615 ( -10.592 -3.225 -3.034) 11.480 9.615 ( -10.592 -3.225 3.034) 11.480 10.197 ( 2.751 0.581 -3.014) 4.122 10.197 ( 2.751 0.581 3.014) 4.122 10.637 ( 1.045 2.719 -2.002) 3.534 10.637 ( 1.045 2.719 2.002) 3.534 11.631 ( 9.402 3.308 -7.437) 12.436 11.631 ( 9.402 3.308 7.437) 12.436 11.834 ( -1.219 -3.038 -3.084) 4.498 11.834 ( -1.219 -3.038 3.084) 4.498 12.106 ( -4.321 4.002 -3.240) 6.722 12.106 ( -4.321 4.002 3.240) 6.722 12.322 ( -0.457 -0.206 -1.325) 1.417 12.322 ( -0.457 -0.206 1.325) 1.417 13.118 ( 6.520 -9.389 -2.918) 11.798 13.118 ( 6.520 -9.389 2.918) 11.798 13.994 ( -7.215 -0.326 -0.438) 7.235 13.994 ( -7.215 -0.326 0.438) 7.235 ======================= Grid point 176 (54/75) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 5.878 -1.359 -4.487) 7.518 0.989 ( 5.878 -1.359 4.487) 7.518 1.077 ( 4.822 -0.201 -4.685) 6.726 1.077 ( 4.822 -0.201 4.685) 6.726 1.180 ( 5.596 -3.263 -4.775) 8.048 1.180 ( 5.596 -3.263 4.775) 8.048 1.419 ( 5.252 -0.958 -5.456) 7.633 1.419 ( 5.252 -0.958 5.456) 7.633 1.671 ( 2.101 1.041 -2.438) 3.383 1.671 ( 2.101 1.041 2.438) 3.383 1.733 ( -3.236 0.238 -0.371) 3.265 1.733 ( -3.236 0.238 0.371) 3.265 1.787 ( 1.779 0.282 -2.374) 2.980 1.787 ( 1.779 0.282 2.374) 2.980 1.835 ( -2.410 0.218 -1.131) 2.671 1.835 ( -2.410 0.218 1.131) 2.671 1.912 ( -6.137 1.269 -1.757) 6.509 1.912 ( -6.137 1.269 1.757) 6.509 1.943 ( 0.193 -0.560 -2.457) 2.527 1.943 ( 0.193 -0.560 2.457) 2.527 2.106 ( 7.070 -3.120 -5.267) 9.353 2.106 ( 7.070 -3.120 5.267) 9.353 2.143 ( 1.591 -1.022 -1.877) 2.664 2.143 ( 1.591 -1.022 1.877) 2.664 2.259 ( 2.199 -4.400 -1.563) 5.162 2.259 ( 2.199 -4.400 1.563) 5.162 2.472 ( -1.185 3.650 -2.212) 4.429 2.472 ( -1.185 3.650 2.212) 4.429 2.744 ( -3.479 -0.059 -1.579) 3.822 2.744 ( -3.479 -0.059 1.579) 3.822 2.874 ( -0.337 -1.075 -0.126) 1.134 2.874 ( -0.337 -1.075 0.126) 1.134 2.948 ( 3.581 2.033 -0.929) 4.222 2.948 ( 3.581 2.033 0.929) 4.222 3.175 ( 4.419 -0.094 -2.376) 5.018 3.175 ( 4.419 -0.094 2.376) 5.018 3.252 ( 3.357 2.654 -2.134) 4.782 3.252 ( 3.357 2.654 2.134) 4.782 3.341 ( 0.029 0.418 -2.584) 2.618 3.341 ( 0.029 0.418 2.584) 2.618 3.477 ( 2.251 -0.558 -2.611) 3.492 3.477 ( 2.251 -0.558 2.611) 3.492 3.814 ( 0.628 0.816 -6.647) 6.726 3.814 ( 0.628 0.816 6.647) 6.726 3.977 ( 2.023 0.287 -6.557) 6.868 3.977 ( 2.023 0.287 6.557) 6.868 4.171 ( -4.770 -1.659 -5.727) 7.636 4.171 ( -4.770 -1.659 5.727) 7.636 4.413 ( 4.773 -1.394 -2.551) 5.589 4.413 ( 4.773 -1.394 2.551) 5.589 4.678 ( -1.237 1.523 -4.374) 4.794 4.678 ( -1.237 1.523 4.374) 4.794 4.718 ( 3.432 0.319 -5.951) 6.877 4.718 ( 3.432 0.319 5.951) 6.877 5.075 ( -3.106 1.630 -1.933) 4.005 5.075 ( -3.106 1.630 1.933) 4.005 5.228 ( -5.137 0.682 -3.101) 6.039 5.228 ( -5.137 0.682 3.101) 6.039 5.631 ( 0.444 -0.793 -1.942) 2.144 5.631 ( 0.444 -0.793 1.942) 2.144 5.954 ( 2.819 0.228 -6.723) 7.294 5.954 ( 2.819 0.228 6.723) 7.294 6.077 ( 3.308 0.679 -0.908) 3.498 6.077 ( 3.308 0.679 0.908) 3.498 6.226 ( -0.681 0.058 -3.922) 3.981 6.226 ( -0.681 0.058 3.922) 3.981 6.655 ( 0.974 -0.366 -2.734) 2.925 6.655 ( 0.974 -0.366 2.734) 2.925 6.786 ( 2.534 1.580 -3.037) 4.260 6.786 ( 2.534 1.580 3.037) 4.260 6.937 ( -0.188 -0.717 -4.566) 4.626 6.937 ( -0.188 -0.717 4.566) 4.626 7.269 ( -0.926 0.328 -1.121) 1.490 7.269 ( -0.926 0.328 1.121) 1.490 7.475 ( 4.476 4.505 -1.769) 6.593 7.475 ( 4.476 4.505 1.769) 6.593 7.876 ( 7.654 2.285 -2.561) 8.389 7.876 ( 7.654 2.285 2.561) 8.389 8.509 ( -2.453 -3.061 -0.450) 3.949 8.509 ( -2.453 -3.061 0.450) 3.949 8.657 ( -2.506 2.813 -9.737) 10.441 8.657 ( -2.506 2.813 9.737) 10.441 8.804 ( 5.618 -2.056 -2.385) 6.440 8.804 ( 5.618 -2.056 2.385) 6.440 9.458 ( -8.844 -2.618 -3.248) 9.779 9.458 ( -8.844 -2.618 3.248) 9.779 10.215 ( -0.114 -0.388 -2.452) 2.485 10.215 ( -0.114 -0.388 2.452) 2.485 10.644 ( 1.961 3.654 -1.086) 4.287 10.644 ( 1.961 3.654 1.086) 4.287 11.724 ( 3.178 0.389 -3.851) 5.008 11.724 ( 3.178 0.389 3.851) 5.008 11.827 ( -1.430 -0.496 -2.246) 2.709 11.827 ( -1.430 -0.496 2.246) 2.709 12.013 ( -2.765 2.136 -2.298) 4.182 12.013 ( -2.765 2.136 2.298) 4.182 12.316 ( -0.352 -0.099 -0.851) 0.926 12.316 ( -0.352 -0.099 0.851) 0.926 13.314 ( 8.438 -6.021 -2.134) 10.583 13.314 ( 8.438 -6.021 2.134) 10.583 13.857 ( -8.158 0.234 -0.345) 8.169 13.857 ( -8.158 0.234 0.345) 8.169 ======================= Grid point 178 (55/75) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.963 -0.043 -1.490) 1.774 1.048 ( 0.963 -0.043 1.490) 1.774 1.117 ( 1.063 0.041 -1.193) 1.598 1.117 ( 1.063 0.041 1.193) 1.598 1.358 ( 8.297 -2.490 -3.988) 9.536 1.358 ( 8.297 -2.490 3.988) 9.536 1.535 ( 5.225 -1.114 -4.341) 6.883 1.535 ( 5.225 -1.114 4.341) 6.883 1.622 ( -5.515 0.396 -1.121) 5.641 1.622 ( -5.515 0.396 1.121) 5.641 1.697 ( -0.928 1.210 -1.465) 2.115 1.697 ( -0.928 1.210 1.465) 2.115 1.755 ( -3.650 -0.747 -0.869) 3.826 1.755 ( -3.650 -0.747 0.869) 3.826 1.788 ( -1.284 1.998 -0.696) 2.475 1.788 ( -1.284 1.998 0.696) 2.475 1.830 ( -0.593 0.672 -0.874) 1.252 1.830 ( -0.593 0.672 0.874) 1.252 1.961 ( 0.583 -0.580 -0.876) 1.201 1.961 ( 0.583 -0.580 0.876) 1.201 2.102 ( -1.114 -0.653 -0.236) 1.313 2.102 ( -1.114 -0.653 0.236) 1.313 2.253 ( 2.041 -0.846 -0.857) 2.370 2.253 ( 2.041 -0.846 0.857) 2.370 2.395 ( 5.663 -3.118 -1.793) 6.708 2.395 ( 5.663 -3.118 1.793) 6.708 2.434 ( -0.084 1.629 -1.583) 2.273 2.434 ( -0.084 1.629 1.583) 2.273 2.687 ( -2.529 -0.363 -1.555) 2.991 2.687 ( -2.529 -0.363 1.555) 2.991 2.864 ( -0.674 0.092 -0.157) 0.698 2.864 ( -0.674 0.092 0.157) 0.698 2.984 ( 1.456 0.491 -0.501) 1.616 2.984 ( 1.456 0.491 0.501) 1.616 3.156 ( -1.750 1.341 -0.587) 2.282 3.156 ( -1.750 1.341 0.587) 2.282 3.309 ( 0.558 0.163 -0.676) 0.892 3.309 ( 0.558 0.163 0.676) 0.892 3.408 ( 5.843 0.715 -2.243) 6.299 3.408 ( 5.843 0.715 2.243) 6.299 3.516 ( 1.423 -0.791 -0.699) 1.772 3.516 ( 1.423 -0.791 0.699) 1.772 3.806 ( -0.765 0.845 -2.175) 2.455 3.806 ( -0.765 0.845 2.175) 2.455 4.001 ( 0.852 -0.009 -6.393) 6.449 4.001 ( 0.852 -0.009 6.393) 6.449 4.095 ( -3.635 -0.833 -6.081) 7.134 4.095 ( -3.635 -0.833 6.081) 7.134 4.502 ( 3.582 -0.972 -2.337) 4.386 4.502 ( 3.582 -0.972 2.337) 4.386 4.612 ( -3.386 1.307 -1.145) 3.806 4.612 ( -3.386 1.307 1.145) 3.806 4.761 ( 1.231 0.007 -2.215) 2.534 4.761 ( 1.231 0.007 2.215) 2.534 5.055 ( 0.769 0.687 -0.875) 1.353 5.055 ( 0.769 0.687 0.875) 1.353 5.153 ( -2.616 0.162 -2.268) 3.466 5.153 ( -2.616 0.162 2.268) 3.466 5.645 ( 0.378 -0.402 -0.897) 1.053 5.645 ( 0.378 -0.402 0.897) 1.053 5.985 ( 0.817 0.126 -2.025) 2.187 5.985 ( 0.817 0.126 2.025) 2.187 6.114 ( 1.207 0.411 -0.563) 1.393 6.114 ( 1.207 0.411 0.563) 1.393 6.219 ( -0.180 -0.023 -1.319) 1.331 6.219 ( -0.180 -0.023 1.319) 1.331 6.680 ( 0.756 -0.841 -1.059) 1.549 6.680 ( 0.756 -0.841 1.059) 1.549 6.812 ( 1.385 0.994 -2.087) 2.695 6.812 ( 1.385 0.994 2.087) 2.695 6.921 ( -1.120 0.271 -3.153) 3.357 6.921 ( -1.120 0.271 3.153) 3.357 7.258 ( -0.733 -1.187 -0.768) 1.593 7.258 ( -0.733 -1.187 0.768) 1.593 7.513 ( 2.643 2.855 -1.359) 4.121 7.513 ( 2.643 2.855 1.359) 4.121 7.961 ( 2.705 0.826 -1.181) 3.065 7.961 ( 2.705 0.826 1.181) 3.065 8.503 ( -0.422 -1.595 -1.859) 2.485 8.503 ( -0.422 -1.595 1.859) 2.485 8.576 ( -2.291 1.239 -5.984) 6.526 8.576 ( -2.291 1.239 5.984) 6.526 8.933 ( 4.041 -0.872 -0.314) 4.145 8.933 ( 4.041 -0.872 0.314) 4.145 9.357 ( -3.526 -1.143 -1.442) 3.978 9.357 ( -3.526 -1.143 1.442) 3.978 10.211 ( -0.434 -0.372 -0.883) 1.052 10.211 ( -0.434 -0.372 0.883) 1.052 10.646 ( 0.709 1.768 -0.369) 1.940 10.646 ( 0.709 1.768 0.369) 1.940 11.760 ( 0.569 -2.236 -1.094) 2.553 11.760 ( 0.569 -2.236 1.094) 2.553 11.792 ( -1.086 2.417 -0.904) 2.799 11.792 ( -1.086 2.417 0.904) 2.799 11.978 ( -0.478 0.373 -0.809) 1.011 11.978 ( -0.478 0.373 0.809) 1.011 12.311 ( -0.137 -0.027 -0.298) 0.330 12.311 ( -0.137 -0.027 0.298) 0.330 13.510 ( 9.176 -3.399 -1.166) 9.855 13.510 ( 9.176 -3.399 1.166) 9.855 13.696 ( -8.898 1.498 -0.485) 9.036 13.696 ( -8.898 1.498 0.485) 9.036 ======================= Grid point 190 (56/75) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 10.898 -0.000 -0.817) 10.928 0.797 ( 10.898 -0.000 0.817) 10.928 0.901 ( 8.935 -0.000 -0.793) 8.970 0.901 ( 8.935 -0.000 0.793) 8.970 1.145 ( -0.634 0.000 -1.783) 1.893 1.145 ( -0.634 0.000 1.783) 1.893 1.336 ( 3.877 -0.000 -4.066) 5.618 1.336 ( 3.877 -0.000 4.066) 5.618 1.591 ( 10.995 -0.000 -11.700) 16.056 1.591 ( 10.995 -0.000 11.700) 16.056 1.677 ( 5.068 -0.000 -7.823) 9.321 1.677 ( 5.068 -0.000 7.823) 9.321 1.712 ( 3.966 -0.000 -3.559) 5.329 1.712 ( 3.966 -0.000 3.559) 5.329 1.818 ( 2.090 -0.000 -3.422) 4.009 1.818 ( 2.090 -0.000 3.422) 4.009 1.955 ( -3.893 0.000 -0.044) 3.893 1.955 ( -3.893 0.000 0.044) 3.893 2.002 ( -1.957 0.000 -1.348) 2.376 2.002 ( -1.957 0.000 1.348) 2.376 2.058 ( -5.908 0.000 -1.406) 6.073 2.058 ( -5.908 0.000 1.406) 6.073 2.164 ( -2.474 0.000 -1.894) 3.116 2.164 ( -2.474 0.000 1.894) 3.116 2.212 ( -1.850 0.000 -0.472) 1.909 2.212 ( -1.850 0.000 0.472) 1.909 2.559 ( -1.902 0.000 -1.524) 2.437 2.559 ( -1.902 0.000 1.524) 2.437 2.793 ( 0.906 -0.000 -0.681) 1.133 2.793 ( 0.906 -0.000 0.681) 1.133 2.831 ( 2.655 -0.000 -0.097) 2.657 2.831 ( 2.655 -0.000 0.097) 2.657 2.903 ( 3.407 -0.000 -2.592) 4.281 2.903 ( 3.407 -0.000 2.592) 4.281 3.085 ( 0.847 -0.000 -7.153) 7.203 3.085 ( 0.847 -0.000 7.153) 7.203 3.269 ( 2.088 -0.000 -1.858) 2.795 3.269 ( 2.088 -0.000 1.858) 2.795 3.336 ( 0.635 -0.000 -4.418) 4.464 3.336 ( 0.635 -0.000 4.418) 4.464 3.432 ( 2.556 -0.000 -4.356) 5.051 3.432 ( 2.556 -0.000 4.356) 5.051 3.811 ( -0.334 0.000 -9.834) 9.840 3.811 ( -0.334 0.000 9.834) 9.840 3.938 ( 2.906 -0.000 -4.920) 5.714 3.938 ( 2.906 -0.000 4.920) 5.714 4.206 ( -1.250 0.000 -3.617) 3.827 4.206 ( -1.250 0.000 3.617) 3.827 4.311 ( 3.920 -0.000 -2.783) 4.808 4.311 ( 3.920 -0.000 2.783) 4.808 4.640 ( 4.492 -0.000 -6.821) 8.167 4.640 ( 4.492 -0.000 6.821) 8.167 4.670 ( 4.654 -0.000 -5.344) 7.086 4.670 ( 4.654 -0.000 5.344) 7.086 5.205 ( -7.096 0.000 -4.623) 8.469 5.205 ( -7.096 0.000 4.623) 8.469 5.362 ( -8.206 0.000 -1.065) 8.275 5.362 ( -8.206 0.000 1.065) 8.275 5.618 ( -0.175 0.000 -0.886) 0.903 5.618 ( -0.175 0.000 0.886) 0.903 5.888 ( 4.835 -0.000 -11.997) 12.935 5.888 ( 4.835 -0.000 11.997) 12.935 6.019 ( 3.505 -0.000 -0.682) 3.570 6.019 ( 3.505 -0.000 0.682) 3.570 6.242 ( -0.735 0.000 -5.786) 5.832 6.242 ( -0.735 0.000 5.786) 5.832 6.671 ( -1.509 0.000 -4.537) 4.782 6.671 ( -1.509 0.000 4.537) 4.782 6.747 ( 3.373 -0.000 -5.398) 6.365 6.747 ( 3.373 -0.000 5.398) 6.365 6.895 ( 1.897 -0.000 -4.435) 4.824 6.895 ( 1.897 -0.000 4.435) 4.824 7.337 ( 0.514 -0.000 -4.084) 4.117 7.337 ( 0.514 -0.000 4.084) 4.117 7.442 ( 2.756 -0.000 -0.826) 2.877 7.442 ( 2.756 -0.000 0.826) 2.877 7.754 ( 8.920 -0.000 -1.465) 9.040 7.754 ( 8.920 -0.000 1.465) 9.040 8.493 ( 2.541 -0.000 -1.054) 2.752 8.493 ( 2.541 -0.000 1.054) 2.752 8.557 ( 4.484 -0.000 -0.425) 4.504 8.557 ( 4.484 -0.000 0.425) 4.504 8.949 ( -14.688 0.000 -13.143) 19.710 8.949 ( -14.688 0.000 13.143) 19.710 9.587 ( -9.889 0.000 -1.239) 9.966 9.587 ( -9.889 0.000 1.239) 9.966 10.202 ( 2.290 -0.000 -3.648) 4.307 10.202 ( 2.290 -0.000 3.648) 4.307 10.662 ( 1.611 -0.000 -0.463) 1.676 10.662 ( 1.611 -0.000 0.463) 1.676 11.664 ( 8.288 -0.000 -8.358) 11.771 11.664 ( 8.288 -0.000 8.358) 11.771 11.804 ( -0.588 0.000 -1.669) 1.769 11.804 ( -0.588 0.000 1.669) 1.769 12.143 ( -5.731 0.000 -4.605) 7.352 12.143 ( -5.731 0.000 4.605) 7.352 12.321 ( -0.275 0.000 -1.394) 1.421 12.321 ( -0.275 0.000 1.394) 1.421 13.032 ( 9.515 -0.000 -1.069) 9.575 13.032 ( 9.515 -0.000 1.069) 9.575 13.992 ( -7.077 0.000 -0.311) 7.084 13.992 ( -7.077 0.000 0.311) 7.084 ======================= Grid point 192 (57/75) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 6.857 -0.719 -5.542) 8.846 0.971 ( 6.857 -0.719 5.542) 8.846 1.082 ( 9.515 0.549 -5.333) 10.922 1.082 ( 9.515 0.549 5.333) 10.922 1.144 ( 2.025 -1.358 -2.768) 3.688 1.144 ( 2.025 -1.358 2.768) 3.688 1.409 ( 4.923 -0.381 -5.357) 7.285 1.409 ( 4.923 -0.381 5.357) 7.285 1.684 ( 2.179 0.584 -2.866) 3.648 1.684 ( 2.179 0.584 2.866) 3.648 1.732 ( -2.684 -0.191 -0.729) 2.788 1.732 ( -2.684 -0.191 0.729) 2.788 1.787 ( 2.947 -0.144 -2.847) 4.100 1.787 ( 2.947 -0.144 2.847) 4.100 1.835 ( -2.935 -0.042 -0.819) 3.047 1.835 ( -2.935 -0.042 0.819) 3.047 1.921 ( -0.548 0.090 -1.225) 1.346 1.921 ( -0.548 0.090 1.225) 1.346 1.951 ( -3.880 0.830 -2.409) 4.642 1.951 ( -3.880 0.830 2.409) 4.642 2.076 ( 9.820 -0.569 -6.756) 11.934 2.076 ( 9.820 -0.569 6.756) 11.934 2.116 ( -1.303 -1.995 -1.046) 2.602 2.116 ( -1.303 -1.995 1.046) 2.602 2.214 ( 1.335 -1.255 -0.573) 1.920 2.214 ( 1.335 -1.255 0.573) 1.920 2.520 ( -1.449 2.013 -3.192) 4.042 2.520 ( -1.449 2.013 3.192) 4.042 2.740 ( -4.640 -0.339 -1.000) 4.759 2.740 ( -4.640 -0.339 1.000) 4.759 2.855 ( 0.103 -0.812 -0.327) 0.882 2.855 ( 0.103 -0.812 0.327) 0.882 2.973 ( 2.930 0.942 -0.373) 3.100 2.973 ( 2.930 0.942 0.373) 3.100 3.173 ( 5.829 -0.144 -2.772) 6.456 3.173 ( 5.829 -0.144 2.772) 6.456 3.286 ( 1.831 1.421 -0.383) 2.349 3.286 ( 1.831 1.421 0.383) 2.349 3.343 ( 0.833 -0.088 -3.478) 3.577 3.343 ( 0.833 -0.088 3.478) 3.577 3.472 ( 1.784 -0.165 -2.002) 2.687 3.472 ( 1.784 -0.165 2.002) 2.687 3.825 ( 1.369 0.469 -6.488) 6.648 3.825 ( 1.369 0.469 6.488) 6.648 3.979 ( 1.488 0.025 -6.638) 6.803 3.979 ( 1.488 0.025 6.638) 6.803 4.150 ( -4.617 -0.788 -5.768) 7.431 4.150 ( -4.617 -0.788 5.768) 7.431 4.398 ( 5.089 -0.553 -2.220) 5.580 4.398 ( 5.089 -0.553 2.220) 5.580 4.692 ( -0.008 0.336 -3.926) 3.940 4.692 ( -0.008 0.336 3.926) 3.940 4.726 ( 2.245 0.407 -4.758) 5.277 4.726 ( 2.245 0.407 4.758) 5.277 5.095 ( -3.689 0.758 -0.925) 3.878 5.095 ( -3.689 0.758 0.925) 3.878 5.236 ( -5.597 0.267 -3.009) 6.360 5.236 ( -5.597 0.267 3.009) 6.360 5.622 ( 0.549 -0.323 -0.850) 1.062 5.622 ( 0.549 -0.323 0.850) 1.062 5.957 ( 2.776 0.093 -6.891) 7.430 5.957 ( 2.776 0.093 6.891) 7.430 6.085 ( 3.384 0.273 -2.264) 4.081 6.085 ( 3.384 0.273 2.264) 4.081 6.226 ( -0.851 -0.039 -4.384) 4.466 6.226 ( -0.851 -0.039 4.384) 4.466 6.651 ( -0.177 -0.111 -2.632) 2.641 6.651 ( -0.177 -0.111 2.632) 2.641 6.810 ( 3.024 1.112 -2.756) 4.240 6.810 ( 3.024 1.112 2.756) 4.240 6.922 ( 0.807 -0.805 -3.736) 3.906 6.922 ( 0.807 -0.805 3.736) 3.906 7.274 ( -4.618 0.274 -2.234) 5.137 7.274 ( -4.618 0.274 2.234) 5.137 7.522 ( 5.065 1.548 -1.332) 5.461 7.522 ( 5.065 1.548 1.332) 5.461 7.906 ( 7.252 1.158 -1.726) 7.545 7.906 ( 7.252 1.158 1.726) 7.545 8.469 ( -1.634 -1.603 -0.405) 2.324 8.469 ( -1.634 -1.603 0.405) 2.324 8.704 ( -2.447 2.954 -6.375) 7.440 8.704 ( -2.447 2.954 6.375) 7.440 8.769 ( 4.382 -2.416 -2.853) 5.760 8.769 ( 4.382 -2.416 2.853) 5.760 9.426 ( -8.035 -1.187 -2.114) 8.393 9.426 ( -8.035 -1.187 2.114) 8.393 10.215 ( -0.027 0.115 -3.202) 3.204 10.215 ( -0.027 0.115 3.202) 3.204 10.693 ( 1.727 1.996 -0.435) 2.675 10.693 ( 1.727 1.996 0.435) 2.675 11.723 ( 0.056 -0.262 -1.327) 1.354 11.723 ( 0.056 -0.262 1.327) 1.354 11.827 ( 2.061 0.231 -4.152) 4.641 11.827 ( 2.061 0.231 4.152) 4.641 12.036 ( -5.159 0.735 -3.565) 6.314 12.036 ( -5.159 0.735 3.565) 6.314 12.316 ( -0.180 0.113 -1.287) 1.304 12.316 ( -0.180 0.113 1.287) 1.304 13.237 ( 11.121 -3.015 -1.320) 11.598 13.237 ( 11.121 -3.015 1.320) 11.598 13.859 ( -7.617 0.083 -0.219) 7.621 13.859 ( -7.617 0.083 0.219) 7.621 ======================= Grid point 194 (58/75) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 1.940 0.229 -3.226) 3.772 1.050 ( 1.940 0.229 3.227) 3.772 1.116 ( -0.018 -0.179 -1.500) 1.510 1.116 ( -0.018 -0.179 1.500) 1.510 1.333 ( 11.312 -0.925 -5.896) 12.790 1.333 ( 11.312 -0.925 5.896) 12.790 1.521 ( 6.343 -0.623 -4.124) 7.592 1.521 ( 6.343 -0.623 4.124) 7.592 1.630 ( -6.100 0.510 -0.628) 6.153 1.630 ( -6.100 0.510 0.628) 6.153 1.705 ( -0.988 -0.013 -1.064) 1.452 1.705 ( -0.988 -0.013 1.064) 1.452 1.742 ( -4.773 -0.744 -1.300) 5.002 1.742 ( -4.773 -0.744 1.300) 5.002 1.818 ( -0.943 1.680 -0.986) 2.164 1.818 ( -0.943 1.680 0.986) 2.164 1.860 ( -0.930 2.603 -1.752) 3.273 1.860 ( -0.930 2.603 1.752) 3.273 1.954 ( 1.255 -0.315 -1.982) 2.367 1.954 ( 1.255 -0.315 1.982) 2.367 2.070 ( -1.811 -3.006 -0.898) 3.623 2.070 ( -1.811 -3.006 0.898) 3.623 2.239 ( 2.041 -0.479 -0.988) 2.318 2.239 ( 2.041 -0.479 0.988) 2.318 2.343 ( 9.638 -3.073 -3.667) 10.760 2.343 ( 9.638 -3.073 3.667) 10.760 2.474 ( -1.538 2.758 -3.184) 4.485 2.474 ( -1.538 2.758 3.184) 4.485 2.677 ( -2.105 -0.807 -0.270) 2.271 2.677 ( -2.105 -0.807 0.270) 2.271 2.854 ( -0.880 -0.958 -0.828) 1.542 2.854 ( -0.880 -0.958 0.828) 1.542 2.995 ( 0.440 0.793 -0.302) 0.956 2.995 ( 0.440 0.793 0.302) 0.956 3.177 ( -2.373 1.068 -1.260) 2.892 3.177 ( -2.373 1.068 1.260) 2.892 3.316 ( 0.557 0.674 -1.512) 1.747 3.316 ( 0.557 0.674 1.512) 1.747 3.420 ( 5.219 0.742 -1.896) 5.602 3.420 ( 5.219 0.742 1.896) 5.602 3.502 ( 1.618 -0.914 -0.824) 2.033 3.502 ( 1.618 -0.914 0.824) 2.033 3.825 ( -0.954 1.442 -2.253) 2.840 3.825 ( -0.954 1.442 2.253) 2.840 3.990 ( -0.367 -1.195 -4.411) 4.585 3.990 ( -0.367 -1.195 4.411) 4.585 4.085 ( -2.041 -0.371 -4.267) 4.745 4.085 ( -2.041 -0.371 4.267) 4.745 4.490 ( 4.297 -0.538 -2.007) 4.773 4.490 ( 4.297 -0.538 2.007) 4.773 4.632 ( -4.183 1.141 -2.684) 5.099 4.632 ( -4.183 1.141 2.684) 5.099 4.759 ( 1.045 -0.160 -3.060) 3.237 4.759 ( 1.045 -0.160 3.060) 3.237 5.064 ( -0.232 0.485 -1.103) 1.227 5.064 ( -0.232 0.485 1.103) 1.227 5.155 ( -2.824 0.178 -3.470) 4.477 5.155 ( -2.824 0.178 3.470) 4.477 5.640 ( 1.004 -0.219 -0.868) 1.345 5.640 ( 1.004 -0.219 0.868) 1.345 5.987 ( 0.694 0.114 -1.937) 2.061 5.987 ( 0.694 0.114 1.937) 2.061 6.120 ( 0.634 0.312 -3.484) 3.555 6.120 ( 0.634 0.312 3.484) 3.555 6.216 ( -0.325 -0.246 -2.099) 2.139 6.216 ( -0.325 -0.246 2.099) 2.139 6.670 ( 1.737 -0.403 -0.697) 1.915 6.670 ( 1.737 -0.403 0.697) 1.915 6.825 ( -0.480 0.576 -3.030) 3.121 6.825 ( -0.480 0.576 3.030) 3.121 6.932 ( 0.178 1.034 -1.220) 1.609 6.932 ( 0.178 1.034 1.220) 1.609 7.214 ( -2.734 -3.337 -1.683) 4.631 7.214 ( -2.734 -3.337 1.683) 4.631 7.565 ( 0.946 2.941 -0.705) 3.169 7.565 ( 0.946 2.941 0.705) 3.169 7.977 ( 1.618 1.131 -3.042) 3.627 7.977 ( 1.618 1.131 3.042) 3.627 8.475 ( 0.749 -1.705 -2.082) 2.793 8.475 ( 0.749 -1.705 2.082) 2.793 8.594 ( -3.584 1.013 -5.117) 6.329 8.594 ( -3.584 1.013 5.117) 6.329 8.922 ( 5.671 -0.588 -1.260) 5.839 8.922 ( 5.671 -0.588 1.260) 5.839 9.336 ( -2.480 -1.284 -0.870) 2.925 9.336 ( -2.480 -1.284 0.870) 2.925 10.216 ( 0.747 0.695 -1.500) 1.814 10.216 ( 0.747 0.695 1.500) 1.814 10.681 ( -1.047 2.323 -0.303) 2.566 10.681 ( -1.047 2.323 0.303) 2.566 11.726 ( -0.129 -1.865 -0.828) 2.045 11.726 ( -0.129 -1.865 0.828) 2.045 11.835 ( -0.040 2.688 -2.738) 3.837 11.835 ( -0.040 2.688 2.738) 3.837 11.968 ( -2.450 -1.433 -1.780) 3.350 11.968 ( -2.450 -1.433 1.780) 3.350 12.313 ( 0.018 0.215 -0.919) 0.944 12.313 ( 0.018 0.215 0.919) 0.944 13.461 ( 11.091 -2.580 -0.963) 11.428 13.461 ( 11.091 -2.580 0.963) 11.428 13.715 ( -7.975 0.885 -0.594) 8.046 13.715 ( -7.975 0.885 0.594) 8.046 ======================= Grid point 196 (59/75) ======================= q-point: (-0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.757 0.617 -0.885) 1.318 1.053 ( -0.757 0.617 0.885) 1.318 1.113 ( -0.948 -0.497 -1.212) 1.617 1.113 ( -0.948 -0.497 1.212) 1.617 1.408 ( -4.862 3.708 -1.834) 6.383 1.408 ( -4.862 3.708 1.834) 6.383 1.550 ( -3.640 0.622 -4.997) 6.214 1.550 ( -3.640 0.622 4.997) 6.214 1.619 ( 4.896 -0.097 -2.301) 5.411 1.619 ( 4.896 -0.097 2.301) 5.411 1.669 ( 0.615 -2.228 -0.575) 2.382 1.669 ( 0.615 -2.228 0.575) 2.382 1.744 ( 1.211 -1.721 -0.492) 2.161 1.744 ( 1.211 -1.721 0.492) 2.161 1.782 ( 1.105 0.868 -0.756) 1.596 1.782 ( 1.105 0.868 0.756) 1.596 1.842 ( 0.207 1.942 -0.669) 2.064 1.842 ( 0.207 1.942 0.669) 2.064 1.972 ( 0.682 0.784 -0.435) 1.127 1.972 ( 0.682 0.784 0.435) 1.127 2.087 ( 0.940 -2.424 -1.696) 3.104 2.087 ( 0.940 -2.424 1.696) 3.104 2.253 ( -1.358 -0.683 -1.369) 2.045 2.253 ( -1.358 -0.683 1.369) 2.045 2.423 ( -0.771 1.238 -2.011) 2.484 2.423 ( -0.771 1.238 2.011) 2.484 2.444 ( -1.497 1.628 -2.052) 3.017 2.444 ( -1.497 1.628 2.052) 3.017 2.690 ( 2.895 0.031 -3.186) 4.305 2.690 ( 2.895 0.031 3.186) 4.305 2.849 ( -0.364 -1.543 -0.832) 1.790 2.849 ( -0.364 -1.543 0.832) 1.790 2.979 ( -2.119 -0.371 -0.712) 2.266 2.979 ( -2.119 -0.371 0.712) 2.266 3.145 ( 0.100 -0.027 -0.911) 0.917 3.145 ( 0.100 -0.027 0.911) 0.917 3.312 ( -0.531 0.553 -0.389) 0.860 3.312 ( -0.531 0.553 0.389) 0.860 3.399 ( -6.462 -0.451 -3.221) 7.234 3.399 ( -6.462 -0.451 3.221) 7.234 3.525 ( -0.846 0.265 -0.676) 1.115 3.525 ( -0.846 0.265 0.676) 1.115 3.801 ( -0.092 0.215 -2.419) 2.430 3.801 ( -0.092 0.215 2.419) 2.430 3.992 ( -0.876 -1.086 -7.408) 7.538 3.992 ( -0.876 -1.086 7.408) 7.538 4.107 ( 4.506 0.645 -6.373) 7.832 4.107 ( 4.506 0.645 6.373) 7.832 4.519 ( -2.618 1.151 -2.516) 3.809 4.519 ( -2.618 1.151 2.516) 3.809 4.595 ( 2.086 -0.887 -2.125) 3.107 4.595 ( 2.086 -0.887 2.125) 3.107 4.759 ( -1.270 -0.197 -1.200) 1.758 4.759 ( -1.270 -0.197 1.200) 1.758 5.045 ( -1.680 -0.538 -0.902) 1.981 5.045 ( -1.680 -0.538 0.902) 1.981 5.151 ( 2.207 -0.049 -1.024) 2.434 5.151 ( 2.207 -0.049 1.024) 2.434 5.652 ( 0.339 0.526 -1.185) 1.340 5.652 ( 0.339 0.526 1.185) 1.340 5.983 ( -0.991 -0.058 -2.179) 2.394 5.983 ( -0.991 -0.058 2.179) 2.394 6.108 ( -1.877 -0.440 -3.171) 3.711 6.108 ( -1.877 -0.440 3.171) 3.711 6.216 ( 0.037 -0.325 -0.472) 0.574 6.216 ( 0.037 -0.325 0.472) 0.574 6.696 ( 0.587 1.203 -1.414) 1.947 6.696 ( 0.587 1.203 1.414) 1.947 6.796 ( -2.464 -1.127 -5.465) 6.100 6.796 ( -2.464 -1.127 5.465) 6.100 6.925 ( 0.519 0.919 -4.577) 4.697 6.925 ( 0.519 0.919 4.577) 4.697 7.228 ( 0.348 -4.635 -2.110) 5.105 7.228 ( 0.348 -4.635 2.110) 5.105 7.502 ( -5.653 1.209 -3.263) 6.639 7.502 ( -5.653 1.209 3.263) 6.639 7.954 ( -3.712 -0.072 -2.399) 4.420 7.954 ( -3.712 -0.072 2.399) 4.420 8.515 ( 2.373 -0.422 -2.561) 3.517 8.515 ( 2.373 -0.422 2.561) 3.517 8.563 ( 0.515 -0.047 -2.285) 2.343 8.563 ( 0.515 -0.047 2.285) 2.343 8.947 ( -2.613 0.932 -0.938) 2.929 8.947 ( -2.613 0.932 0.938) 2.929 9.365 ( 4.941 -0.012 -1.971) 5.320 9.365 ( 4.941 -0.012 1.971) 5.320 10.231 ( 1.835 2.042 -0.387) 2.773 10.231 ( 1.835 2.042 0.387) 2.773 10.632 ( -2.922 -0.098 -0.771) 3.024 10.632 ( -2.922 -0.098 0.771) 3.024 11.750 ( 0.330 -2.053 -0.652) 2.179 11.750 ( 0.330 -2.053 0.652) 2.179 11.805 ( 0.105 2.524 -1.315) 2.848 11.805 ( 0.105 2.524 1.315) 2.848 11.956 ( -0.875 -2.277 -0.603) 2.513 11.956 ( -0.875 -2.277 0.603) 2.513 12.314 ( 0.301 0.283 -0.407) 0.580 12.314 ( 0.301 0.283 0.407) 0.580 13.558 ( -7.629 2.541 -1.476) 8.175 13.558 ( -7.629 2.541 1.476) 8.175 13.672 ( 10.140 -1.482 -0.609) 10.266 13.672 ( 10.140 -1.482 0.609) 10.266 ======================= Grid point 198 (60/75) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -4.295 1.037 -2.443) 5.049 1.008 ( -4.295 1.037 2.443) 5.049 1.086 ( -1.781 0.842 -3.962) 4.425 1.086 ( -1.781 0.842 3.962) 4.425 1.248 ( -6.833 5.472 -4.064) 9.651 1.248 ( -6.833 5.472 4.064) 9.651 1.436 ( -5.895 1.099 -5.529) 8.156 1.436 ( -5.895 1.099 5.529) 8.156 1.650 ( -2.443 -2.115 -1.094) 3.411 1.650 ( -2.443 -2.115 1.094) 3.411 1.721 ( 1.582 -1.076 -1.259) 2.291 1.721 ( 1.582 -1.076 1.259) 2.291 1.785 ( 2.024 0.183 -1.202) 2.361 1.785 ( 2.024 0.183 1.202) 2.361 1.826 ( 1.890 -0.633 -1.115) 2.284 1.826 ( 1.890 -0.633 1.115) 2.284 1.892 ( 5.821 -1.081 -3.696) 6.979 1.892 ( 5.821 -1.081 3.696) 6.979 1.969 ( 0.804 2.455 -0.822) 2.711 1.969 ( 0.804 2.455 0.822) 2.711 2.126 ( 1.444 -1.096 -1.061) 2.101 2.126 ( 1.444 -1.096 1.061) 2.101 2.171 ( -7.711 2.400 -3.198) 8.686 2.171 ( -7.711 2.400 3.198) 8.686 2.336 ( -3.345 5.258 -0.744) 6.275 2.336 ( -3.345 5.258 0.744) 6.275 2.428 ( 0.462 -1.546 -0.486) 1.685 2.428 ( 0.462 -1.546 0.486) 1.685 2.743 ( 2.349 -0.049 -1.986) 3.076 2.743 ( 2.349 -0.049 1.986) 3.076 2.864 ( -0.433 -2.487 -1.375) 2.875 2.864 ( -0.433 -2.487 1.375) 2.875 2.929 ( -3.433 -0.354 -1.117) 3.628 2.929 ( -3.433 -0.354 1.117) 3.628 3.167 ( -0.659 -1.496 -1.181) 2.017 3.167 ( -0.659 -1.496 1.181) 2.017 3.221 ( -7.443 -0.799 -4.000) 8.487 3.221 ( -7.443 -0.799 4.000) 8.487 3.332 ( 0.094 -0.605 -2.521) 2.594 3.332 ( 0.094 -0.605 2.521) 2.594 3.487 ( -2.442 0.640 -2.918) 3.858 3.487 ( -2.442 0.640 2.918) 3.858 3.803 ( -0.058 -0.534 -6.940) 6.961 3.803 ( -0.058 -0.534 6.940) 6.961 3.970 ( -2.193 -0.572 -6.636) 7.013 3.970 ( -2.193 -0.572 6.636) 7.013 4.195 ( 4.876 1.352 -5.306) 7.332 4.195 ( 4.876 1.352 5.306) 7.332 4.438 ( -4.432 1.656 -3.017) 5.612 4.438 ( -4.432 1.656 3.017) 5.612 4.648 ( 1.041 -2.074 -2.078) 3.115 4.648 ( 1.041 -2.074 2.078) 3.115 4.717 ( -3.270 0.099 -4.136) 5.273 4.717 ( -3.270 0.099 4.136) 5.273 5.050 ( 2.466 -1.467 -1.767) 3.369 5.050 ( 2.466 -1.467 1.767) 3.369 5.216 ( 4.474 -0.764 -2.968) 5.423 5.216 ( 4.474 -0.764 2.968) 5.423 5.645 ( -0.238 1.087 -2.193) 2.459 5.645 ( -0.238 1.087 2.193) 2.459 5.951 ( -2.887 -0.233 -6.544) 7.156 5.951 ( -2.887 -0.233 6.544) 7.156 6.065 ( -3.340 -0.925 -2.504) 4.276 6.065 ( -3.340 -0.925 2.504) 4.276 6.223 ( 0.388 -0.439 -3.163) 3.217 6.223 ( 0.388 -0.439 3.163) 3.217 6.662 ( -3.029 0.481 -4.817) 5.710 6.662 ( -3.029 0.481 4.817) 5.710 6.770 ( -1.057 -0.352 -3.508) 3.681 6.770 ( -1.057 -0.352 3.508) 3.681 6.938 ( 0.582 -0.597 -5.175) 5.242 6.938 ( 0.582 -0.597 5.175) 5.242 7.262 ( -1.140 -1.046 -2.176) 2.670 7.262 ( -1.140 -1.046 2.176) 2.670 7.395 ( -5.382 -4.941 -3.125) 7.946 7.395 ( -5.382 -4.941 3.125) 7.946 7.846 ( -8.485 -1.467 -2.153) 8.876 7.846 ( -8.485 -1.467 2.153) 8.876 8.552 ( 2.925 2.317 -1.127) 3.898 8.552 ( 2.925 2.317 1.127) 3.898 8.616 ( 2.744 -2.516 -10.126) 10.788 8.616 ( 2.744 -2.516 10.126) 10.788 8.837 ( -6.384 2.233 -2.855) 7.341 8.837 ( -6.384 2.233 2.855) 7.341 9.496 ( 9.828 1.972 -4.425) 10.957 9.496 ( 9.828 1.972 4.425) 10.957 10.235 ( -0.021 2.242 -1.693) 2.810 10.235 ( -0.021 2.242 1.693) 2.810 10.594 ( -2.234 -2.652 -1.524) 3.788 10.594 ( -2.234 -2.652 1.524) 3.788 11.712 ( -5.254 -0.958 -4.474) 6.967 11.712 ( -5.254 -0.958 4.474) 6.967 11.841 ( 3.835 1.184 -0.524) 4.048 11.841 ( 3.835 1.184 0.524) 4.048 11.973 ( 0.950 -2.922 -1.751) 3.536 11.973 ( 0.950 -2.922 1.751) 3.536 12.320 ( 0.549 0.367 -0.229) 0.699 12.320 ( 0.549 0.367 0.229) 0.699 13.402 ( -6.197 4.928 -2.777) 8.391 13.402 ( -6.197 4.928 2.777) 8.391 13.852 ( 9.007 -0.303 -0.595) 9.031 13.852 ( 9.007 -0.303 0.595) 9.031 ======================= Grid point 200 (61/75) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -7.579 4.198 -3.043) 9.183 0.875 ( -7.579 4.198 3.043) 9.183 0.998 ( -6.187 5.557 -5.362) 9.895 0.998 ( -6.187 5.557 5.362) 9.895 1.143 ( -1.471 0.529 -3.380) 3.724 1.143 ( -1.471 0.529 3.380) 3.724 1.346 ( -3.508 0.186 -4.920) 6.046 1.346 ( -3.508 0.186 4.920) 6.046 1.612 ( -3.228 -0.336 -3.842) 5.029 1.612 ( -3.228 -0.336 3.842) 5.029 1.722 ( -2.160 -1.982 -0.305) 2.947 1.722 ( -2.160 -1.982 0.305) 2.947 1.768 ( -2.329 2.667 -3.001) 4.641 1.768 ( -2.329 2.667 3.001) 4.641 1.819 ( -6.091 5.533 -4.752) 9.502 1.819 ( -6.091 5.533 4.752) 9.502 1.943 ( 0.297 0.438 -1.644) 1.728 1.943 ( 0.297 0.438 1.644) 1.728 1.975 ( 1.951 -1.596 -2.592) 3.615 1.975 ( 1.951 -1.596 2.592) 3.615 2.079 ( 4.333 1.828 -3.162) 5.667 2.079 ( 4.333 1.828 3.162) 5.667 2.164 ( 1.258 -1.276 -0.501) 1.860 2.164 ( 1.258 -1.276 0.501) 1.860 2.282 ( 0.671 3.581 -2.437) 4.384 2.282 ( 0.671 3.581 2.437) 4.384 2.463 ( 0.984 -3.635 -0.736) 3.837 2.463 ( 0.984 -3.635 0.736) 3.837 2.756 ( -3.431 -2.046 -0.247) 4.003 2.756 ( -3.431 -2.046 0.247) 4.003 2.825 ( -4.047 -2.205 -1.611) 4.882 2.825 ( -4.047 -2.205 1.611) 4.882 2.888 ( -1.572 0.501 -1.164) 2.020 2.888 ( -1.572 0.501 1.164) 2.020 3.105 ( -0.685 0.753 -6.836) 6.912 3.105 ( -0.685 0.753 6.836) 6.912 3.199 ( -1.750 -3.432 -2.293) 4.483 3.199 ( -1.750 -3.432 2.293) 4.483 3.357 ( 1.428 -0.400 -3.429) 3.736 3.357 ( 1.428 -0.400 3.429) 3.736 3.435 ( -2.461 0.678 -5.017) 5.629 3.435 ( -2.461 0.678 5.017) 5.629 3.813 ( 1.195 0.090 -9.608) 9.683 3.813 ( 1.195 0.090 9.608) 9.683 3.924 ( -3.248 -0.546 -5.110) 6.079 3.924 ( -3.248 -0.546 5.110) 6.079 4.238 ( 0.886 1.335 -3.097) 3.487 4.238 ( 0.886 1.335 3.097) 3.487 4.343 ( -4.548 1.596 -2.007) 5.221 4.343 ( -4.548 1.596 2.007) 5.221 4.625 ( -5.004 -1.486 -7.935) 9.498 4.625 ( -5.004 -1.486 7.935) 9.498 4.659 ( -2.615 0.230 -4.525) 5.231 4.659 ( -2.615 0.230 4.525) 5.231 5.162 ( 7.502 -1.953 -4.100) 8.770 5.162 ( 7.502 -1.953 4.100) 8.770 5.324 ( 6.550 -1.798 -1.492) 6.955 5.324 ( 6.550 -1.798 1.492) 6.955 5.631 ( -0.476 0.859 -2.185) 2.396 5.631 ( -0.476 0.859 2.185) 2.396 5.882 ( -4.823 -0.303 -11.860) 12.807 5.882 ( -4.823 -0.303 11.860) 12.807 6.008 ( -3.305 -0.712 -2.414) 4.155 6.008 ( -3.305 -0.712 2.414) 4.155 6.238 ( 0.753 -0.544 -5.285) 5.366 6.238 ( 0.753 -0.544 5.285) 5.366 6.601 ( -4.184 -2.608 -7.138) 8.675 6.601 ( -4.184 -2.608 7.138) 8.675 6.764 ( 0.755 0.857 -4.538) 4.679 6.764 ( 0.755 0.857 4.538) 4.679 6.931 ( -1.859 0.916 -5.013) 5.425 6.931 ( -1.859 0.916 5.013) 5.425 7.208 ( -4.511 -5.138 -1.897) 7.096 7.208 ( -4.511 -5.138 1.897) 7.096 7.376 ( -4.054 -3.327 -2.903) 5.994 7.376 ( -4.054 -3.327 2.903) 5.994 7.715 ( -5.926 -2.616 -3.369) 7.301 7.715 ( -5.926 -2.616 3.369) 7.301 8.535 ( -8.603 0.490 -1.732) 8.789 8.535 ( -8.603 0.490 1.732) 8.789 8.617 ( 3.021 3.387 -2.916) 5.395 8.617 ( 3.021 3.387 2.916) 5.395 8.846 ( 7.483 -3.246 -15.672) 17.668 8.846 ( 7.483 -3.246 15.672) 17.668 9.669 ( 11.232 3.317 -5.259) 12.838 9.669 ( 11.232 3.317 5.259) 12.838 10.189 ( -4.102 -0.110 -1.854) 4.503 10.189 ( -4.102 -0.110 1.854) 4.503 10.597 ( 0.720 -2.016 -3.426) 4.040 10.597 ( 0.720 -2.016 3.426) 4.040 11.584 ( -10.647 -2.507 -5.944) 12.449 11.584 ( -10.647 -2.507 5.944) 12.449 11.879 ( 1.844 2.455 -2.372) 3.880 11.879 ( 1.844 2.455 2.372) 3.880 12.044 ( 3.561 -3.609 -1.720) 5.354 12.044 ( 3.561 -3.609 1.720) 5.354 12.327 ( 0.659 0.468 -0.737) 1.093 12.327 ( 0.659 0.468 0.737) 1.093 13.265 ( -3.157 8.447 -4.690) 10.164 13.265 ( -3.157 8.447 4.690) 10.164 14.000 ( 7.514 0.424 -0.694) 7.558 14.000 ( 7.514 0.424 0.694) 7.558 ======================= Grid point 202 (62/75) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -4.937 6.332 -3.687) 8.836 0.711 ( -4.937 6.332 3.687) 8.836 0.816 ( -8.096 6.141 -6.047) 11.825 0.816 ( -8.096 6.141 6.047) 11.825 1.137 ( -0.652 -1.608 -3.720) 4.104 1.137 ( -0.652 -1.608 3.720) 4.104 1.285 ( -3.019 2.967 -3.083) 5.237 1.285 ( -3.019 2.967 3.083) 5.237 1.506 ( -4.226 6.146 -12.635) 14.672 1.506 ( -4.226 6.146 12.635) 14.672 1.646 ( -2.638 2.268 -6.978) 7.797 1.646 ( -2.638 2.268 6.978) 7.797 1.691 ( -2.918 4.185 -5.994) 7.871 1.691 ( -2.918 4.185 5.994) 7.871 1.737 ( -1.450 -3.646 -2.545) 4.677 1.737 ( -1.450 -3.646 2.545) 4.677 1.979 ( 1.435 -1.876 -1.379) 2.735 1.979 ( 1.435 -1.876 1.379) 2.735 2.034 ( 2.571 -1.890 -3.452) 4.700 2.034 ( 2.571 -1.890 3.452) 4.700 2.136 ( 1.649 -0.143 -4.076) 4.400 2.136 ( 1.649 -0.143 4.076) 4.400 2.211 ( 2.687 -0.676 -2.894) 4.007 2.211 ( 2.687 -0.676 2.894) 4.007 2.298 ( 3.477 1.017 -3.346) 4.931 2.298 ( 3.477 1.017 3.346) 4.931 2.499 ( -1.382 -4.035 -1.304) 4.460 2.499 ( -1.382 -4.035 1.304) 4.460 2.660 ( -5.931 -2.469 -0.975) 6.498 2.660 ( -5.931 -2.469 0.975) 6.498 2.790 ( -2.257 -0.347 -1.506) 2.735 2.790 ( -2.257 -0.347 1.506) 2.735 2.890 ( 2.388 -1.376 -2.889) 3.993 2.890 ( 2.388 -1.376 2.889) 3.993 3.098 ( -2.650 -1.195 -3.363) 4.445 3.098 ( -2.650 -1.195 3.363) 4.445 3.209 ( 2.171 -0.534 -5.947) 6.353 3.209 ( 2.171 -0.534 5.947) 6.353 3.350 ( -1.911 1.942 -4.353) 5.135 3.350 ( -1.911 1.942 4.353) 5.135 3.409 ( 0.090 1.280 -4.446) 4.628 3.409 ( 0.090 1.280 4.446) 4.628 3.846 ( 1.538 -0.172 -8.448) 8.589 3.846 ( 1.538 -0.172 8.448) 8.589 3.878 ( -0.902 -0.686 -7.264) 7.352 3.878 ( -0.902 -0.686 7.264) 7.352 4.208 ( -3.072 1.056 -0.452) 3.279 4.208 ( -3.072 1.056 0.452) 3.279 4.254 ( -3.985 0.867 -1.673) 4.408 4.254 ( -3.985 0.867 1.673) 4.408 4.542 ( -4.092 -0.314 -11.009) 11.749 4.542 ( -4.092 -0.314 11.009) 11.749 4.610 ( -2.026 0.955 -8.572) 8.860 4.610 ( -2.026 0.955 8.572) 8.860 5.308 ( 6.532 -1.384 -7.634) 10.143 5.308 ( 6.532 -1.384 7.634) 10.143 5.470 ( 6.671 -2.826 -2.052) 7.530 5.470 ( 6.671 -2.826 2.052) 7.530 5.607 ( -2.220 -0.357 -2.976) 3.730 5.607 ( -2.220 -0.357 2.976) 3.730 5.798 ( -4.045 -0.072 -16.933) 17.410 5.798 ( -4.045 -0.072 16.933) 17.410 5.971 ( -1.156 -0.487 -1.302) 1.808 5.971 ( -1.156 -0.487 1.302) 1.808 6.246 ( -0.485 -0.126 -6.110) 6.131 6.246 ( -0.485 -0.126 6.110) 6.131 6.581 ( -0.883 -5.912 -7.854) 9.870 6.581 ( -0.883 -5.912 7.854) 9.870 6.787 ( 2.788 1.464 -4.954) 5.870 6.787 ( 2.788 1.464 4.954) 5.870 6.865 ( -3.588 0.973 -5.617) 6.736 6.865 ( -3.588 0.973 5.617) 6.736 7.175 ( -7.249 -4.729 -3.184) 9.222 7.175 ( -7.249 -4.729 3.184) 9.222 7.288 ( -4.467 -4.981 -8.976) 11.195 7.288 ( -4.467 -4.981 8.976) 11.195 7.688 ( 0.186 0.185 -7.182) 7.187 7.688 ( 0.186 0.185 7.182) 7.187 8.364 ( -7.530 0.275 -2.589) 7.968 8.364 ( -7.530 0.275 2.589) 7.968 8.660 ( 3.533 3.651 -3.560) 6.204 8.660 ( 3.533 3.651 3.560) 6.204 9.071 ( 10.772 -10.436 -17.908) 23.359 9.071 ( 10.772 -10.436 17.908) 23.359 9.831 ( 9.197 3.782 -4.395) 10.872 9.831 ( 9.197 3.782 4.395) 10.872 10.091 ( -7.225 -1.224 -0.729) 7.364 10.091 ( -7.225 -1.224 0.729) 7.364 10.661 ( 5.495 -0.803 -4.916) 7.417 10.661 ( 5.495 -0.803 4.916) 7.417 11.366 ( -15.413 -2.838 -4.860) 16.408 11.366 ( -15.413 -2.838 4.860) 16.408 11.880 ( 0.798 3.051 -3.286) 4.554 11.880 ( 0.798 3.051 3.286) 4.554 12.131 ( 2.359 -4.302 -2.416) 5.469 12.131 ( 2.359 -4.302 2.416) 5.469 12.335 ( 0.536 0.516 -1.257) 1.460 12.335 ( 0.536 0.516 1.257) 1.460 13.151 ( -0.600 13.268 -7.180) 15.098 13.151 ( -0.600 13.268 7.180) 15.098 14.114 ( 5.214 0.414 -0.617) 5.267 14.114 ( 5.214 0.414 0.617) 5.267 ======================= Grid point 204 (63/75) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -0.000 5.633 -12.456) 13.670 0.630 ( -0.000 5.633 12.456) 13.670 0.667 ( -0.000 4.869 -15.541) 16.286 0.667 ( -0.000 4.869 15.541) 16.286 1.135 ( 0.000 -0.694 -6.902) 6.937 1.135 ( 0.000 -0.694 6.902) 6.937 1.205 ( -0.000 6.688 -9.406) 11.541 1.205 ( -0.000 6.688 9.406) 11.541 1.447 ( -0.000 2.370 -9.996) 10.273 1.447 ( -0.000 2.370 9.996) 10.273 1.610 ( -0.000 1.121 -8.335) 8.410 1.610 ( -0.000 1.121 8.335) 8.410 1.637 ( -0.000 2.648 -6.390) 6.917 1.637 ( -0.000 2.648 6.390) 6.917 1.752 ( 0.000 -3.141 -2.807) 4.212 1.752 ( 0.000 -3.141 2.807) 4.212 2.010 ( 0.000 -2.285 -1.430) 2.696 2.010 ( 0.000 -2.285 1.430) 2.696 2.075 ( 0.000 -1.600 -3.553) 3.897 2.075 ( 0.000 -1.600 3.553) 3.897 2.155 ( 0.000 -1.154 -3.925) 4.091 2.155 ( 0.000 -1.154 3.925) 4.091 2.231 ( -0.000 1.303 -3.700) 3.923 2.231 ( -0.000 1.303 3.700) 3.923 2.396 ( 0.000 -5.816 -6.730) 8.895 2.396 ( 0.000 -5.816 6.730) 8.895 2.451 ( -0.000 0.538 -0.620) 0.821 2.451 ( -0.000 0.538 0.620) 0.821 2.636 ( 0.000 -2.590 -0.949) 2.758 2.636 ( 0.000 -2.590 0.949) 2.758 2.767 ( 0.000 -0.158 -1.511) 1.519 2.767 ( 0.000 -0.158 1.511) 1.519 2.963 ( 0.000 -3.034 -2.665) 4.038 2.963 ( 0.000 -3.034 2.665) 4.038 3.044 ( 0.000 -0.518 -2.780) 2.828 3.044 ( 0.000 -0.518 2.780) 2.828 3.259 ( 0.000 -0.188 -7.540) 7.542 3.259 ( 0.000 -0.188 7.540) 7.542 3.281 ( -0.000 5.378 -5.733) 7.861 3.281 ( -0.000 5.378 5.733) 7.861 3.392 ( -0.000 2.432 -4.649) 5.247 3.392 ( -0.000 2.432 4.649) 5.247 3.846 ( 0.000 -1.112 -3.058) 3.254 3.846 ( 0.000 -1.112 3.058) 3.254 3.917 ( 0.000 -1.179 -13.502) 13.554 3.917 ( 0.000 -1.179 13.502) 13.554 4.143 ( -0.000 1.007 -0.757) 1.260 4.143 ( -0.000 1.007 0.757) 1.260 4.210 ( -0.000 0.974 -1.763) 2.014 4.210 ( -0.000 0.974 1.763) 2.014 4.504 ( -0.000 0.052 -12.513) 12.514 4.504 ( -0.000 0.052 12.513) 12.514 4.582 ( -0.000 1.206 -9.838) 9.912 4.582 ( -0.000 1.206 9.838) 9.912 5.389 ( 0.000 -0.837 -8.972) 9.011 5.389 ( 0.000 -0.837 8.972) 9.011 5.545 ( 0.000 -0.048 -1.906) 1.906 5.545 ( 0.000 -0.048 1.906) 1.906 5.596 ( 0.000 -4.047 -1.958) 4.496 5.596 ( 0.000 -4.047 1.958) 4.496 5.757 ( -0.000 0.202 -17.854) 17.855 5.757 ( -0.000 0.202 17.854) 17.855 5.966 ( -0.000 0.032 -0.917) 0.918 5.966 ( -0.000 0.032 0.917) 0.918 6.236 ( 0.000 -0.048 -6.507) 6.507 6.236 ( 0.000 -0.048 6.507) 6.507 6.641 ( 0.000 -6.965 -6.080) 9.245 6.641 ( 0.000 -6.965 6.080) 9.245 6.822 ( 0.000 -0.232 -4.174) 4.181 6.822 ( 0.000 -0.232 4.174) 4.181 6.823 ( -0.000 1.448 -7.052) 7.199 6.823 ( -0.000 1.448 7.052) 7.199 7.067 ( -0.000 0.120 -8.446) 8.446 7.067 ( -0.000 0.120 8.446) 8.446 7.325 ( 0.000 -9.352 -8.701) 12.774 7.325 ( 0.000 -9.352 8.701) 12.774 7.676 ( -0.000 3.708 -7.833) 8.666 7.676 ( -0.000 3.708 7.833) 8.666 8.295 ( 0.000 -0.411 -3.050) 3.078 8.295 ( 0.000 -0.411 3.050) 3.078 8.667 ( -0.000 3.298 -3.930) 5.130 8.667 ( -0.000 3.298 3.930) 5.130 9.319 ( 0.000 -17.695 -14.189) 22.681 9.319 ( 0.000 -17.695 14.189) 22.681 9.914 ( -0.000 5.134 -4.313) 6.705 9.914 ( -0.000 5.134 4.313) 6.705 9.981 ( -0.000 0.346 -0.752) 0.828 9.981 ( -0.000 0.346 0.752) 0.828 10.772 ( 0.000 -3.055 -4.989) 5.850 10.772 ( 0.000 -3.055 4.989) 5.850 11.171 ( -0.000 0.004 -0.204) 0.204 11.171 ( -0.000 0.004 0.204) 0.204 11.863 ( -0.000 3.228 -3.615) 4.846 11.863 ( -0.000 3.228 3.615) 4.846 12.192 ( 0.000 -5.884 -3.521) 6.857 12.192 ( 0.000 -5.884 3.521) 6.857 12.336 ( -0.000 0.451 -1.805) 1.860 12.336 ( -0.000 0.451 1.805) 1.860 13.027 ( -0.000 16.830 -6.929) 18.200 13.027 ( -0.000 16.830 6.929) 18.200 14.164 ( -0.000 0.140 -0.594) 0.610 14.164 ( -0.000 0.140 0.594) 0.610 ======================= Grid point 210 (64/75) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 2.724 -0.000 -4.110) 4.931 1.053 ( 2.724 -0.000 4.110) 4.931 1.114 ( -0.958 0.000 -1.719) 1.968 1.114 ( -0.958 0.000 1.719) 1.968 1.326 ( 12.484 -0.000 -6.560) 14.103 1.326 ( 12.484 -0.000 6.560) 14.103 1.516 ( 6.832 -0.000 -3.972) 7.903 1.516 ( 6.832 -0.000 3.972) 7.903 1.635 ( -6.502 0.000 -0.099) 6.503 1.635 ( -6.502 0.000 0.099) 6.503 1.704 ( -0.987 0.000 -0.142) 0.997 1.704 ( -0.987 0.000 0.142) 0.997 1.736 ( -4.979 0.000 -1.745) 5.276 1.736 ( -4.979 0.000 1.745) 5.276 1.833 ( -1.018 0.000 -0.351) 1.076 1.833 ( -1.018 0.000 0.351) 1.076 1.887 ( -0.260 0.000 -2.406) 2.420 1.887 ( -0.260 0.000 2.406) 2.420 1.951 ( 1.606 -0.000 -2.886) 3.303 1.951 ( 1.606 -0.000 2.886) 3.303 2.038 ( -2.743 0.000 -0.372) 2.768 2.038 ( -2.743 0.000 0.372) 2.768 2.238 ( 1.442 -0.000 -0.572) 1.551 2.238 ( 1.442 -0.000 0.572) 1.551 2.316 ( 11.422 -0.000 -4.563) 12.299 2.316 ( 11.422 -0.000 4.563) 12.299 2.499 ( -2.114 0.000 -3.921) 4.455 2.499 ( -2.114 0.000 3.921) 4.455 2.669 ( -1.797 0.000 -1.038) 2.076 2.669 ( -1.797 0.000 1.038) 2.076 2.846 ( -0.806 0.000 -0.796) 1.132 2.846 ( -0.806 0.000 0.796) 1.132 3.002 ( -0.066 0.000 -0.072) 0.098 3.002 ( -0.066 0.000 0.072) 0.098 3.186 ( -2.361 0.000 -1.487) 2.790 3.186 ( -2.361 0.000 1.487) 2.790 3.323 ( 0.539 -0.000 -1.808) 1.886 3.323 ( 0.539 -0.000 1.808) 1.886 3.427 ( 4.978 -0.000 -1.903) 5.329 3.427 ( 4.978 -0.000 1.903) 5.329 3.494 ( 1.567 -0.000 -1.016) 1.868 3.494 ( 1.567 -0.000 1.016) 1.868 3.839 ( -0.847 0.000 -2.454) 2.596 3.839 ( -0.847 0.000 2.454) 2.596 3.978 ( -1.112 0.000 -3.591) 3.759 3.978 ( -1.112 0.000 3.591) 3.759 4.082 ( -1.293 0.000 -3.169) 3.423 4.082 ( -1.293 0.000 3.169) 3.423 4.486 ( 4.580 -0.000 -1.853) 4.941 4.486 ( 4.580 -0.000 1.853) 4.941 4.642 ( -4.445 0.000 -3.382) 5.585 4.642 ( -4.445 0.000 3.382) 5.585 4.757 ( 0.941 -0.000 -3.321) 3.452 4.757 ( 0.941 -0.000 3.321) 3.452 5.068 ( -0.689 0.000 -1.254) 1.430 5.068 ( -0.689 0.000 1.254) 1.430 5.157 ( -2.862 0.000 -3.973) 4.896 5.157 ( -2.862 0.000 3.973) 4.896 5.638 ( 1.282 -0.000 -0.628) 1.427 5.638 ( 1.282 -0.000 0.628) 1.427 5.988 ( 0.655 -0.000 -1.906) 2.016 5.988 ( 0.655 -0.000 1.906) 2.016 6.123 ( 0.390 -0.000 -4.760) 4.776 6.123 ( 0.390 -0.000 4.760) 4.776 6.214 ( -0.407 0.000 -2.495) 2.528 6.214 ( -0.407 0.000 2.495) 2.528 6.667 ( 2.114 -0.000 -0.450) 2.162 6.667 ( 2.114 -0.000 0.450) 2.162 6.829 ( -1.498 0.000 -4.780) 5.009 6.829 ( -1.498 0.000 4.780) 5.009 6.943 ( 1.500 -0.000 -0.422) 1.558 6.943 ( 1.500 -0.000 0.422) 1.558 7.184 ( -4.371 0.000 -1.323) 4.566 7.184 ( -4.371 0.000 1.323) 4.566 7.589 ( 0.659 -0.000 -0.059) 0.662 7.589 ( 0.659 -0.000 0.059) 0.662 7.988 ( 1.113 -0.000 -3.762) 3.923 7.988 ( 1.113 -0.000 3.762) 3.923 8.460 ( 1.112 -0.000 -1.424) 1.807 8.460 ( 1.112 -0.000 1.424) 1.807 8.603 ( -4.177 0.000 -2.299) 4.767 8.603 ( -4.177 0.000 2.299) 4.767 8.916 ( 6.526 -0.000 -1.616) 6.723 8.916 ( 6.526 -0.000 1.616) 6.723 9.325 ( -2.152 0.000 -0.682) 2.258 9.325 ( -2.152 0.000 0.682) 2.258 10.223 ( 1.235 -0.000 -1.791) 2.176 10.223 ( 1.235 -0.000 1.791) 2.176 10.702 ( -1.754 0.000 -0.263) 1.774 10.702 ( -1.754 0.000 0.263) 1.774 11.710 ( -0.173 0.000 -1.087) 1.100 11.710 ( -0.173 0.000 1.087) 1.100 11.861 ( 0.780 -0.000 -4.443) 4.511 11.861 ( 0.780 -0.000 4.443) 4.511 11.951 ( -3.923 0.000 -3.156) 5.035 11.951 ( -3.923 0.000 3.156) 5.035 12.316 ( 0.037 -0.000 -1.129) 1.129 12.316 ( 0.037 -0.000 1.129) 1.129 13.440 ( 12.021 -0.000 -1.003) 12.062 13.440 ( 12.021 -0.000 1.003) 12.062 13.722 ( -7.644 0.000 -0.663) 7.673 13.722 ( -7.644 0.000 0.663) 7.673 ======================= Grid point 212 (65/75) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -1.169 0.560 -2.256) 2.602 1.064 ( -1.169 0.560 2.256) 2.602 1.104 ( -0.168 -0.476 -1.854) 1.922 1.104 ( -0.168 -0.476 1.854) 1.922 1.461 ( -1.671 2.480 -0.486) 3.030 1.461 ( -1.671 2.480 0.486) 3.030 1.549 ( -2.396 -0.566 -5.374) 5.911 1.549 ( -2.396 -0.566 5.374) 5.911 1.618 ( 1.396 -0.030 -2.587) 2.940 1.618 ( 1.396 -0.030 2.587) 2.940 1.641 ( 1.807 -0.998 -1.386) 2.486 1.641 ( 1.807 -0.998 1.386) 2.486 1.725 ( 0.761 -0.656 -0.512) 1.127 1.725 ( 0.761 -0.656 0.512) 1.127 1.793 ( 0.186 0.454 -0.583) 0.762 1.793 ( 0.186 0.454 0.583) 0.762 1.876 ( -1.047 1.753 -1.652) 2.627 1.876 ( -1.047 1.753 1.652) 2.627 1.988 ( 2.304 1.402 -2.439) 3.636 1.988 ( 2.304 1.402 2.439) 3.636 2.038 ( 1.141 -3.284 -2.133) 4.079 2.038 ( 1.141 -3.284 2.133) 4.079 2.244 ( -1.217 -0.244 -1.382) 1.858 2.244 ( -1.217 -0.244 1.382) 1.858 2.442 ( 0.781 0.911 -1.727) 2.103 2.442 ( 0.781 0.911 1.727) 2.103 2.457 ( -0.225 0.214 -3.320) 3.334 2.457 ( -0.225 0.214 3.320) 3.334 2.689 ( 3.142 -0.100 -4.668) 5.627 2.689 ( 3.142 -0.100 4.668) 5.627 2.830 ( -1.080 -0.699 -0.802) 1.516 2.830 ( -1.080 -0.699 0.802) 1.516 2.973 ( -2.952 -0.263 -0.890) 3.094 2.973 ( -2.952 -0.263 0.890) 3.094 3.149 ( -1.060 0.216 -1.310) 1.699 3.149 ( -1.060 0.216 1.310) 1.699 3.323 ( -0.309 0.563 -0.439) 0.778 3.323 ( -0.309 0.563 0.439) 0.778 3.393 ( -7.085 -0.273 -4.299) 8.292 3.393 ( -7.085 -0.273 4.299) 8.292 3.526 ( -0.283 0.010 -0.486) 0.563 3.526 ( -0.283 0.010 0.486) 0.563 3.808 ( -1.191 0.385 -2.863) 3.125 3.808 ( -1.191 0.385 2.863) 3.125 3.975 ( -0.152 -0.736 -7.798) 7.834 3.975 ( -0.152 -0.736 7.798) 7.834 4.113 ( 4.715 0.209 -5.995) 7.629 4.113 ( 4.715 0.209 5.995) 7.629 4.534 ( -1.528 0.635 -2.249) 2.792 4.534 ( -1.528 0.635 2.249) 2.792 4.584 ( 0.632 -0.388 -3.796) 3.868 4.584 ( 0.632 -0.388 3.796) 3.868 4.756 ( -1.162 -0.126 -0.542) 1.289 4.756 ( -1.162 -0.126 0.542) 1.289 5.039 ( -2.176 -0.195 -0.943) 2.380 5.039 ( -2.176 -0.195 0.943) 2.380 5.151 ( 1.859 0.001 -0.230) 1.873 5.151 ( 1.859 0.001 0.230) 1.873 5.659 ( 0.920 0.288 -1.790) 2.033 5.659 ( 0.920 0.288 1.790) 2.033 5.983 ( -1.125 -0.009 -2.347) 2.603 5.983 ( -1.125 -0.009 2.347) 2.603 6.102 ( -2.454 -0.227 -5.927) 6.419 6.102 ( -2.454 -0.227 5.927) 6.419 6.211 ( -0.046 -0.227 -0.222) 0.320 6.211 ( -0.046 -0.227 0.222) 0.320 6.713 ( 2.135 0.811 -1.889) 2.964 6.713 ( 2.135 0.811 1.889) 2.964 6.780 ( -3.244 -0.743 -7.340) 8.060 6.780 ( -3.244 -0.743 7.340) 8.060 6.945 ( -0.926 1.180 -3.603) 3.903 6.945 ( -0.926 1.180 3.603) 3.903 7.155 ( 0.224 -3.364 -3.191) 4.642 7.155 ( 0.224 -3.364 3.191) 4.642 7.525 ( -7.111 1.034 -3.997) 8.222 7.525 ( -7.111 1.034 3.997) 8.222 7.956 ( -4.380 0.159 -4.113) 6.010 7.956 ( -4.380 0.159 4.113) 6.010 8.500 ( 2.758 -0.841 -4.764) 5.569 8.500 ( 2.758 -0.841 4.764) 5.569 8.570 ( 0.325 0.424 -1.840) 1.916 8.570 ( 0.325 0.424 1.840) 1.916 8.959 ( -1.789 0.412 -1.197) 2.192 8.959 ( -1.789 0.412 1.197) 2.192 9.362 ( 5.895 -0.253 -2.118) 6.269 9.362 ( 5.895 -0.253 2.118) 6.269 10.260 ( 2.976 1.200 -0.123) 3.212 10.260 ( 2.976 1.200 0.123) 3.212 10.637 ( -4.742 0.368 -1.127) 4.888 10.637 ( -4.742 0.368 1.127) 4.888 11.726 ( 1.068 -0.858 -0.105) 1.374 11.726 ( 1.068 -0.858 0.105) 1.374 11.842 ( -1.139 1.939 -3.271) 3.969 11.842 ( -1.139 1.939 3.271) 3.969 11.918 ( -0.991 -2.135 -0.679) 2.450 11.918 ( -0.991 -2.135 0.679) 2.450 12.318 ( 0.328 0.154 -0.776) 0.857 12.318 ( 0.328 0.154 0.776) 0.857 13.585 ( -7.036 0.922 -1.626) 7.280 13.585 ( -7.036 0.922 1.626) 7.280 13.655 ( 11.209 -0.646 -0.825) 11.258 13.655 ( 11.209 -0.646 0.825) 11.258 ======================= Grid point 214 (66/75) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -3.251 0.473 -1.150) 3.480 1.020 ( -3.251 0.473 1.150) 3.480 1.099 ( -0.472 0.679 -3.509) 3.605 1.099 ( -0.472 0.679 3.509) 3.605 1.341 ( -5.665 6.123 -2.542) 8.721 1.341 ( -5.665 6.123 2.542) 8.721 1.450 ( -6.381 0.547 -5.814) 8.649 1.450 ( -6.381 0.547 5.814) 8.649 1.596 ( -4.032 -4.432 -2.331) 6.429 1.596 ( -4.032 -4.432 2.331) 6.429 1.713 ( 0.577 -0.013 -0.287) 0.644 1.713 ( 0.577 -0.013 0.287) 0.644 1.784 ( 6.188 -0.442 -3.363) 7.057 1.784 ( 6.188 -0.442 3.363) 7.057 1.834 ( 0.674 1.605 -2.226) 2.826 1.834 ( 0.674 1.605 2.226) 2.826 1.878 ( 4.163 -0.732 -3.796) 5.681 1.878 ( 4.163 -0.732 3.796) 5.681 2.008 ( 1.931 2.367 -0.219) 3.063 2.008 ( 1.931 2.367 0.219) 3.063 2.094 ( 1.813 -2.746 -2.560) 4.169 2.094 ( 1.813 -2.746 2.560) 4.169 2.188 ( -5.230 0.099 -1.052) 5.336 2.188 ( -5.230 0.099 1.052) 5.336 2.411 ( -2.242 3.304 -2.604) 4.767 2.411 ( -2.242 3.304 2.604) 4.767 2.427 ( -1.166 1.686 -1.204) 2.377 2.427 ( -1.166 1.686 1.204) 2.377 2.741 ( 1.516 -0.365 -3.242) 3.598 2.741 ( 1.516 -0.365 3.242) 3.598 2.822 ( -1.521 -2.274 -0.896) 2.879 2.822 ( -1.521 -2.274 0.896) 2.879 2.922 ( -2.494 -0.666 -1.616) 3.045 2.922 ( -2.494 -0.666 1.616) 3.045 3.139 ( -1.281 -1.529 -0.765) 2.136 3.139 ( -1.281 -1.529 0.765) 2.136 3.223 ( -8.429 0.578 -4.953) 9.794 3.223 ( -8.429 0.578 4.953) 9.794 3.324 ( -0.237 -0.509 -2.269) 2.338 3.324 ( -0.237 -0.509 2.269) 2.338 3.496 ( -2.293 0.399 -2.863) 3.690 3.496 ( -2.293 0.399 2.863) 3.690 3.798 ( 0.115 -0.164 -7.360) 7.363 3.798 ( 0.115 -0.164 7.360) 7.363 3.961 ( -1.964 -0.528 -6.893) 7.187 3.961 ( -1.964 -0.528 6.893) 7.187 4.211 ( 4.947 0.619 -4.672) 6.832 4.211 ( 4.947 0.619 4.672) 6.832 4.461 ( -4.376 1.220 -3.107) 5.504 4.461 ( -4.376 1.220 3.107) 5.504 4.620 ( 0.572 -1.405 -2.533) 2.952 4.620 ( 0.572 -1.405 2.533) 2.952 4.720 ( -2.750 0.165 -2.936) 4.026 4.720 ( -2.750 0.165 2.936) 4.026 5.033 ( 2.095 -0.801 -1.392) 2.639 5.033 ( 2.095 -0.801 1.392) 2.639 5.206 ( 3.919 -0.481 -2.632) 4.746 5.206 ( 3.919 -0.481 2.632) 4.746 5.662 ( 0.053 1.022 -2.533) 2.732 5.662 ( 0.053 1.022 2.533) 2.732 5.948 ( -2.942 -0.136 -6.405) 7.050 5.948 ( -2.942 -0.136 6.405) 7.050 6.050 ( -3.575 -0.911 -5.628) 6.729 6.050 ( -3.575 -0.911 5.628) 6.729 6.214 ( 0.096 -0.520 -2.319) 2.378 6.214 ( 0.096 -0.520 2.319) 2.378 6.668 ( -5.019 0.251 -7.517) 9.042 6.668 ( -5.019 0.251 7.517) 9.042 6.776 ( 1.149 0.985 -4.691) 4.929 6.776 ( 1.149 0.985 4.691) 4.929 6.921 ( -0.908 -1.346 -5.047) 5.302 6.921 ( -0.908 -1.346 5.047) 5.302 7.220 ( 2.501 -3.638 -3.690) 5.754 7.220 ( 2.501 -3.638 3.690) 5.754 7.354 ( -9.985 -0.513 -5.042) 11.198 7.354 ( -9.985 -0.513 5.042) 11.198 7.832 ( -9.032 -0.443 -3.609) 9.736 7.832 ( -9.032 -0.443 3.609) 9.736 8.564 ( 2.599 -1.223 -6.459) 7.069 8.564 ( 2.599 -1.223 6.459) 7.069 8.596 ( 2.830 0.575 -2.593) 3.882 8.596 ( 2.830 0.575 2.593) 3.882 8.869 ( -5.854 1.622 -2.176) 6.453 8.869 ( -5.854 1.622 2.176) 6.453 9.515 ( 10.565 0.629 -4.760) 11.605 9.515 ( 10.565 0.629 4.760) 11.605 10.278 ( -0.331 2.877 -1.556) 3.287 10.278 ( -0.331 2.877 1.556) 3.287 10.563 ( -2.638 -1.386 -1.914) 3.542 10.563 ( -2.638 -1.386 1.914) 3.542 11.699 ( -5.521 -0.579 -4.093) 6.897 11.699 ( -5.521 -0.579 4.093) 6.897 11.859 ( 4.309 1.076 -0.612) 4.484 11.859 ( 4.309 1.076 0.612) 4.484 11.929 ( 0.485 -2.520 -1.555) 3.001 11.929 ( 0.485 -2.520 1.555) 3.001 12.325 ( 0.603 0.278 -0.319) 0.736 12.325 ( 0.603 0.278 0.319) 0.736 13.459 ( -5.258 2.446 -2.873) 6.472 13.459 ( -5.258 2.446 2.873) 6.472 13.848 ( 9.763 -0.217 -0.825) 9.800 13.848 ( 9.763 -0.217 0.825) 9.800 ======================= Grid point 216 (67/75) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -4.730 3.077 -1.989) 5.983 0.934 ( -4.730 3.077 1.989) 5.983 1.071 ( -1.984 3.011 -4.922) 6.102 1.071 ( -1.984 3.011 4.922) 6.102 1.185 ( -5.601 5.486 -4.511) 9.045 1.185 ( -5.601 5.486 4.511) 9.045 1.348 ( -4.217 0.068 -6.119) 7.432 1.348 ( -4.217 0.068 6.119) 7.432 1.573 ( -2.455 -5.077 -2.067) 6.006 1.573 ( -2.455 -5.077 2.067) 6.006 1.703 ( -1.205 0.341 -1.908) 2.282 1.703 ( -1.205 0.341 1.908) 2.282 1.813 ( -1.090 2.566 -2.203) 3.553 1.813 ( -1.090 2.566 2.203) 3.553 1.872 ( 1.952 1.363 -2.338) 3.337 1.872 ( 1.952 1.363 2.338) 3.337 1.942 ( 1.392 -1.114 -5.254) 5.548 1.942 ( 1.392 -1.114 5.254) 5.548 1.997 ( -3.016 4.052 -1.999) 5.433 1.997 ( -3.016 4.052 1.999) 5.433 2.104 ( 1.106 0.962 -2.485) 2.885 2.104 ( 1.106 0.962 2.485) 2.885 2.138 ( 0.942 -1.919 -2.178) 3.052 2.138 ( 0.942 -1.919 2.178) 3.052 2.334 ( -1.198 3.694 -2.250) 4.488 2.334 ( -1.198 3.694 2.250) 4.488 2.429 ( 0.789 -0.796 -0.709) 1.326 2.429 ( 0.789 -0.796 0.709) 1.326 2.719 ( -5.900 -2.532 -0.872) 6.480 2.719 ( -5.900 -2.532 0.872) 6.480 2.794 ( -1.659 -1.453 -2.264) 3.160 2.794 ( -1.659 -1.453 2.264) 3.160 2.897 ( -1.598 0.684 -0.969) 1.990 2.897 ( -1.598 0.684 0.969) 1.990 3.106 ( -0.939 -1.168 -7.063) 7.220 3.106 ( -0.939 -1.168 7.063) 7.220 3.147 ( -2.397 -2.635 -2.419) 4.306 3.147 ( -2.397 -2.635 2.419) 4.306 3.339 ( 0.736 -1.622 -4.536) 4.874 3.339 ( 0.736 -1.622 4.536) 4.874 3.450 ( -1.845 1.032 -5.095) 5.516 3.450 ( -1.845 1.032 5.095) 5.516 3.815 ( 1.646 0.118 -8.924) 9.075 3.815 ( 1.646 0.118 8.924) 9.075 3.917 ( -3.025 -0.299 -5.397) 6.194 3.917 ( -3.025 -0.299 5.397) 6.194 4.254 ( 0.362 0.713 -2.510) 2.634 4.254 ( 0.362 0.713 2.510) 2.634 4.366 ( -4.937 1.314 -1.925) 5.460 4.366 ( -4.937 1.314 1.925) 5.460 4.602 ( -3.630 -1.286 -6.736) 7.759 4.602 ( -3.630 -1.286 6.736) 7.759 4.666 ( -2.539 0.465 -2.678) 3.719 4.666 ( -2.539 0.465 2.678) 3.719 5.137 ( 7.741 -1.275 -2.714) 8.301 5.137 ( 7.741 -1.275 2.714) 8.301 5.299 ( 5.614 -1.416 -2.205) 6.196 5.299 ( 5.614 -1.416 2.205) 6.196 5.648 ( -0.750 1.198 -1.812) 2.298 5.648 ( -0.750 1.198 1.812) 2.298 5.878 ( -4.823 -0.230 -11.718) 12.673 5.878 ( -4.823 -0.230 11.718) 12.673 5.994 ( -3.383 -1.159 -5.309) 6.401 5.994 ( -3.383 -1.159 5.309) 6.401 6.226 ( 0.533 -0.940 -4.747) 4.868 6.226 ( 0.533 -0.940 4.747) 4.868 6.570 ( -5.854 -1.306 -8.699) 10.566 6.570 ( -5.854 -1.306 8.699) 10.566 6.782 ( 1.144 1.579 -6.169) 6.470 6.782 ( 1.144 1.579 6.169) 6.470 6.926 ( -1.029 -1.663 -4.850) 5.229 6.926 ( -1.029 -1.663 4.850) 5.229 7.157 ( -7.559 -1.367 -3.985) 8.653 7.157 ( -7.559 -1.367 3.985) 8.653 7.313 ( -1.263 -4.355 -2.975) 5.424 7.313 ( -1.263 -4.355 2.975) 5.424 7.681 ( -6.524 -1.616 -0.652) 6.753 7.681 ( -6.524 -1.616 0.652) 6.753 8.532 ( -8.144 -0.761 -1.651) 8.344 8.532 ( -8.144 -0.761 1.651) 8.344 8.653 ( 3.908 1.331 -2.013) 4.593 8.653 ( 3.908 1.331 2.013) 4.593 8.826 ( 4.030 0.421 -14.871) 15.414 8.826 ( 4.030 0.421 14.871) 15.414 9.708 ( 11.257 1.639 -6.220) 12.965 9.708 ( 11.257 1.639 6.220) 12.965 10.197 ( -6.069 1.070 -1.635) 6.376 10.197 ( -6.069 1.070 1.635) 6.376 10.578 ( 2.922 -0.603 -4.040) 5.022 10.578 ( 2.922 -0.603 4.040) 5.022 11.555 ( -10.989 -1.219 -4.968) 12.121 11.555 ( -10.989 -1.219 4.968) 12.121 11.905 ( 1.365 0.931 -1.497) 2.230 11.905 ( 1.365 0.931 1.497) 2.230 12.001 ( 4.815 -1.924 -0.675) 5.228 12.001 ( 4.815 -1.924 0.675) 5.228 12.335 ( 0.716 0.400 -0.295) 0.872 12.335 ( 0.716 0.400 0.295) 0.872 13.365 ( -2.103 4.481 -4.536) 6.714 13.365 ( -2.103 4.481 4.536) 6.714 14.006 ( 7.778 0.296 -0.929) 7.839 14.006 ( 7.778 0.296 0.929) 7.839 ======================= Grid point 218 (68/75) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -3.078 6.902 -3.311) 8.251 0.818 ( -3.078 6.902 3.311) 8.251 0.930 ( -7.265 8.154 -5.220) 12.105 0.930 ( -7.265 8.154 5.220) 12.105 1.113 ( -1.589 -1.148 -4.151) 4.591 1.113 ( -1.589 -1.148 4.151) 4.591 1.303 ( -0.991 -0.118 -5.990) 6.073 1.303 ( -0.991 -0.118 5.990) 6.073 1.579 ( 0.208 -0.416 -1.516) 1.585 1.579 ( 0.208 -0.416 1.516) 1.585 1.669 ( -2.353 0.743 -1.101) 2.702 1.669 ( -2.353 0.743 1.101) 2.702 1.728 ( -4.634 4.503 -3.802) 7.497 1.728 ( -4.634 4.503 3.802) 7.497 1.782 ( -3.003 7.196 -5.700) 9.659 1.782 ( -3.003 7.196 5.700) 9.659 1.960 ( 1.092 -0.463 -0.785) 1.422 1.960 ( 1.092 -0.463 0.785) 1.422 2.000 ( 1.837 -2.174 -4.195) 5.069 2.000 ( 1.837 -2.174 4.195) 5.069 2.135 ( 0.729 0.056 -4.192) 4.255 2.135 ( 0.729 0.056 4.192) 4.255 2.181 ( 2.066 -2.803 -0.652) 3.543 2.181 ( 2.066 -2.803 0.652) 3.543 2.316 ( 0.699 1.284 -2.681) 3.054 2.316 ( 0.699 1.284 2.681) 3.054 2.457 ( 0.880 -1.440 -0.434) 1.742 2.457 ( 0.880 -1.440 0.434) 1.742 2.616 ( -6.231 -2.988 -1.126) 7.002 2.616 ( -6.231 -2.988 1.126) 7.002 2.782 ( -1.538 -0.638 -1.691) 2.373 2.782 ( -1.538 -0.638 1.691) 2.373 2.872 ( 0.621 -0.688 -3.110) 3.245 2.872 ( 0.621 -0.688 3.110) 3.245 3.077 ( -3.934 -1.531 -2.897) 5.120 3.077 ( -3.934 -1.531 2.897) 5.120 3.191 ( 4.260 -1.812 -7.218) 8.575 3.191 ( 4.260 -1.812 7.218) 8.575 3.350 ( -1.779 -2.089 -5.593) 6.230 3.350 ( -1.779 -2.089 5.593) 6.230 3.430 ( 1.020 1.522 -5.431) 5.732 3.430 ( 1.020 1.522 5.431) 5.732 3.839 ( -0.560 -0.723 -5.149) 5.230 3.839 ( -0.560 -0.723 5.149) 5.230 3.878 ( 0.480 0.790 -9.627) 9.671 3.878 ( 0.480 0.790 9.627) 9.671 4.216 ( -4.035 0.042 -1.325) 4.247 4.216 ( -4.035 0.042 1.325) 4.247 4.276 ( -3.118 1.772 -0.724) 3.659 4.276 ( -3.118 1.772 0.724) 3.659 4.537 ( -3.366 -0.237 -11.297) 11.791 4.537 ( -3.366 -0.237 11.297) 11.791 4.626 ( -1.235 1.025 -8.642) 8.789 4.626 ( -1.235 1.025 8.642) 8.789 5.288 ( 7.043 -1.105 -6.900) 9.922 5.288 ( 7.043 -1.105 6.900) 9.922 5.425 ( 6.128 -2.687 -1.954) 6.970 5.425 ( 6.128 -2.687 1.954) 6.970 5.608 ( -3.263 0.440 -2.789) 4.315 5.608 ( -3.263 0.440 2.789) 4.315 5.796 ( -3.633 -0.077 -17.147) 17.528 5.796 ( -3.633 -0.077 17.147) 17.528 5.956 ( -1.580 -1.410 -4.427) 4.907 5.956 ( -1.580 -1.410 4.427) 4.907 6.240 ( -0.117 -0.661 -5.973) 6.010 6.240 ( -0.117 -0.661 5.973) 6.010 6.502 ( -3.113 -3.962 -9.421) 10.684 6.502 ( -3.113 -3.962 9.421) 10.684 6.803 ( 2.124 0.845 -6.058) 6.475 6.803 ( 2.124 0.845 6.058) 6.475 6.877 ( -4.053 0.299 -5.697) 6.998 6.877 ( -4.053 0.299 5.697) 6.998 7.099 ( -2.392 -3.995 -1.276) 4.828 7.099 ( -2.392 -3.995 1.276) 4.828 7.243 ( -7.154 -1.964 -6.312) 9.740 7.243 ( -7.154 -1.964 6.312) 9.740 7.667 ( 1.646 -2.353 -5.552) 6.250 7.667 ( 1.646 -2.353 5.552) 6.250 8.366 ( -8.391 -0.097 -2.569) 8.776 8.366 ( -8.391 -0.097 2.569) 8.776 8.705 ( 3.019 1.979 -2.716) 4.517 8.705 ( 3.019 1.979 2.716) 4.517 8.954 ( 6.799 -4.446 -20.107) 21.686 8.954 ( 6.799 -4.446 20.107) 21.686 9.875 ( 8.219 1.891 -6.037) 10.372 9.875 ( 8.219 1.891 6.037) 10.372 10.075 ( -6.712 -0.704 -0.678) 6.783 10.075 ( -6.712 -0.704 0.678) 6.783 10.663 ( 6.471 0.954 -6.336) 9.106 10.663 ( 6.471 0.954 6.336) 9.106 11.335 ( -13.729 -1.257 -3.461) 14.214 11.335 ( -13.729 -1.257 3.461) 14.214 11.913 ( 0.487 1.104 -2.419) 2.703 11.913 ( 0.487 1.104 2.419) 2.703 12.089 ( 3.109 -1.277 -0.908) 3.481 12.089 ( 3.109 -1.277 0.908) 3.481 12.343 ( 0.555 0.501 -0.707) 1.029 12.343 ( 0.555 0.501 0.707) 1.029 13.309 ( 0.365 7.059 -7.107) 10.024 13.309 ( 0.365 7.059 7.107) 10.024 14.120 ( 4.916 0.323 -0.966) 5.020 14.120 ( 4.916 0.323 0.966) 5.020 ======================= Grid point 220 (69/75) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -0.000 8.377 -9.359) 12.561 0.744 ( -0.000 8.377 9.359) 12.561 0.769 ( -0.000 7.866 -12.926) 15.131 0.769 ( -0.000 7.866 12.926) 15.131 1.111 ( 0.000 -1.844 -4.658) 5.010 1.111 ( 0.000 -1.844 4.658) 5.010 1.291 ( -0.000 2.383 -2.127) 3.194 1.291 ( -0.000 2.383 2.127) 3.194 1.537 ( -0.000 9.804 -12.641) 15.997 1.537 ( -0.000 9.804 12.641) 15.997 1.627 ( 0.000 -0.144 -8.049) 8.051 1.627 ( 0.000 -0.144 8.049) 8.051 1.692 ( 0.000 -3.355 -2.614) 4.253 1.692 ( 0.000 -3.355 2.614) 4.253 1.706 ( -0.000 6.146 -5.565) 8.291 1.706 ( -0.000 6.146 5.565) 8.291 1.978 ( 0.000 -1.437 -0.833) 1.661 1.978 ( 0.000 -1.437 0.833) 1.661 2.041 ( 0.000 -2.761 -4.288) 5.100 2.041 ( 0.000 -2.761 4.288) 5.100 2.142 ( 0.000 -0.504 -4.669) 4.697 2.142 ( 0.000 -0.504 4.669) 4.697 2.228 ( 0.000 -2.637 -1.881) 3.240 2.228 ( 0.000 -2.637 1.881) 3.240 2.327 ( 0.000 -1.737 -4.358) 4.691 2.327 ( 0.000 -1.737 4.358) 4.691 2.462 ( -0.000 0.720 -0.895) 1.149 2.462 ( -0.000 0.720 0.895) 1.149 2.584 ( 0.000 -3.804 -1.899) 4.252 2.584 ( 0.000 -3.804 1.899) 4.252 2.764 ( 0.000 -0.199 -1.676) 1.688 2.764 ( 0.000 -0.199 1.676) 1.688 2.914 ( 0.000 -2.993 -3.843) 4.871 2.914 ( 0.000 -2.993 3.843) 4.871 3.032 ( 0.000 -0.872 -2.645) 2.785 3.032 ( 0.000 -0.872 2.645) 2.785 3.255 ( 0.000 -0.310 -6.712) 6.720 3.255 ( 0.000 -0.310 6.712) 6.720 3.327 ( -0.000 0.082 -6.450) 6.450 3.327 ( -0.000 0.082 6.450) 6.450 3.434 ( -0.000 2.157 -4.514) 5.003 3.434 ( -0.000 2.157 4.514) 5.003 3.827 ( 0.000 -1.179 -2.999) 3.222 3.827 ( 0.000 -1.179 2.999) 3.222 3.902 ( 0.000 -0.343 -13.866) 13.870 3.902 ( 0.000 -0.343 13.866) 13.870 4.156 ( -0.000 0.558 -1.756) 1.842 4.156 ( -0.000 0.558 1.756) 1.842 4.234 ( -0.000 2.012 -1.049) 2.269 4.234 ( -0.000 2.012 1.049) 2.269 4.505 ( -0.000 0.073 -12.591) 12.591 4.505 ( -0.000 0.073 12.591) 12.591 4.604 ( -0.000 1.580 -9.985) 10.109 4.604 ( -0.000 1.580 9.985) 10.109 5.373 ( 0.000 -1.082 -9.546) 9.607 5.373 ( 0.000 -1.082 9.546) 9.607 5.531 ( 0.000 -3.835 -3.817) 5.411 5.531 ( 0.000 -3.835 3.817) 5.411 5.544 ( 0.000 -0.087 -1.826) 1.828 5.544 ( 0.000 -0.087 1.826) 1.828 5.761 ( -0.000 0.325 -17.813) 17.816 5.761 ( -0.000 0.325 17.813) 17.816 5.957 ( 0.000 -1.356 -2.285) 2.657 5.957 ( 0.000 -1.356 2.285) 2.657 6.235 ( 0.000 -0.077 -6.345) 6.346 6.235 ( 0.000 -0.077 6.345) 6.346 6.526 ( 0.000 -7.003 -9.588) 11.873 6.526 ( 0.000 -7.003 9.588) 11.873 6.818 ( 0.000 -0.357 -4.146) 4.161 6.818 ( 0.000 -0.357 4.146) 4.161 6.842 ( -0.000 0.925 -9.308) 9.354 6.842 ( -0.000 0.925 9.308) 9.354 7.069 ( -0.000 0.182 -8.430) 8.432 7.069 ( -0.000 0.182 8.430) 8.432 7.207 ( 0.000 -5.606 -11.498) 12.792 7.207 ( 0.000 -5.606 11.498) 12.792 7.701 ( 0.000 -0.354 -7.171) 7.180 7.701 ( 0.000 -0.354 7.171) 7.180 8.287 ( 0.000 -0.628 -3.069) 3.133 8.287 ( 0.000 -0.628 3.069) 3.133 8.717 ( -0.000 2.649 -3.509) 4.397 8.717 ( -0.000 2.649 3.509) 4.397 9.089 ( 0.000 -10.659 -20.572) 23.169 9.089 ( 0.000 -10.659 20.572) 23.169 9.960 ( -0.000 1.209 -5.460) 5.592 9.960 ( -0.000 1.209 5.460) 5.592 9.988 ( -0.000 0.527 -0.751) 0.917 9.988 ( -0.000 0.527 0.751) 0.917 10.749 ( -0.000 0.209 -7.946) 7.949 10.749 ( -0.000 0.209 7.946) 7.949 11.171 ( -0.000 0.006 -0.200) 0.200 11.171 ( -0.000 0.006 0.200) 0.200 11.906 ( -0.000 1.960 -2.965) 3.554 11.906 ( -0.000 1.960 2.965) 3.554 12.129 ( 0.000 -2.191 -1.647) 2.741 12.129 ( 0.000 -2.191 1.647) 2.741 12.344 ( -0.000 0.545 -1.033) 1.168 12.344 ( -0.000 0.545 1.033) 1.168 13.248 ( -0.000 10.639 -9.305) 14.134 13.248 ( -0.000 10.639 9.305) 14.134 14.166 ( -0.000 0.099 -0.783) 0.789 14.166 ( -0.000 0.099 0.783) 0.789 ======================= Grid point 230 (70/75) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -3.038 0.000 -0.801) 3.142 1.023 ( -3.038 0.000 0.802) 3.142 1.105 ( 0.018 -0.000 -3.279) 3.279 1.105 ( 0.018 -0.000 3.279) 3.279 1.406 ( -3.709 0.000 -1.303) 3.931 1.406 ( -3.709 0.000 1.303) 3.931 1.450 ( -6.651 0.000 -6.525) 9.317 1.450 ( -6.651 0.000 6.525) 9.317 1.548 ( -5.920 0.000 -3.886) 7.082 1.548 ( -5.920 0.000 3.886) 7.082 1.714 ( 0.441 -0.000 -0.811) 0.923 1.714 ( 0.441 -0.000 0.811) 0.923 1.779 ( 6.776 -0.000 -4.612) 8.197 1.779 ( 6.776 -0.000 4.612) 8.197 1.853 ( 0.398 -0.000 -2.611) 2.641 1.853 ( 0.398 -0.000 2.611) 2.641 1.870 ( 4.147 -0.000 -3.633) 5.513 1.870 ( 4.147 -0.000 3.633) 5.513 2.035 ( 1.374 -0.000 -0.306) 1.408 2.035 ( 1.374 -0.000 0.306) 1.408 2.061 ( 2.871 -0.000 -3.191) 4.293 2.061 ( 2.871 -0.000 3.191) 4.293 2.188 ( -4.769 0.000 -1.535) 5.010 2.188 ( -4.769 0.000 1.535) 5.010 2.426 ( -0.801 0.000 -0.221) 0.831 2.426 ( -0.801 0.000 0.221) 0.831 2.457 ( -1.791 0.000 -0.099) 1.793 2.457 ( -1.791 0.000 0.099) 1.793 2.736 ( 0.856 -0.000 -4.544) 4.624 2.736 ( 0.856 -0.000 4.544) 4.624 2.804 ( -1.528 0.000 -0.739) 1.697 2.804 ( -1.528 0.000 0.739) 1.697 2.915 ( -2.228 0.000 -2.203) 3.133 2.915 ( -2.228 0.000 2.203) 3.133 3.127 ( -2.300 0.000 -0.391) 2.333 3.127 ( -2.300 0.000 0.391) 2.333 3.229 ( -8.615 0.000 -5.257) 10.092 3.229 ( -8.615 0.000 5.257) 10.092 3.319 ( -0.343 0.000 -2.283) 2.309 3.319 ( -0.343 0.000 2.283) 2.309 3.499 ( -2.171 0.000 -2.784) 3.530 3.499 ( -2.171 0.000 2.784) 3.530 3.797 ( 0.119 -0.000 -7.616) 7.617 3.797 ( 0.119 -0.000 7.616) 7.617 3.957 ( -1.788 0.000 -7.049) 7.272 3.957 ( -1.788 0.000 7.049) 7.272 4.215 ( 4.978 -0.000 -4.344) 6.607 4.215 ( 4.978 -0.000 4.344) 6.607 4.471 ( -4.479 0.000 -2.763) 5.262 4.471 ( -4.479 0.000 2.763) 5.262 4.609 ( 0.473 -0.000 -2.378) 2.425 4.609 ( 0.473 -0.000 2.378) 2.425 4.721 ( -2.531 0.000 -2.551) 3.593 4.721 ( -2.531 0.000 2.551) 3.593 5.026 ( 1.983 -0.000 -1.270) 2.355 5.026 ( 1.983 -0.000 1.270) 2.355 5.202 ( 3.706 -0.000 -2.434) 4.434 5.202 ( 3.706 -0.000 2.434) 4.434 5.671 ( 0.224 -0.000 -2.942) 2.951 5.671 ( 0.224 -0.000 2.942) 2.951 5.947 ( -2.959 0.000 -6.321) 6.979 5.947 ( -2.959 0.000 6.321) 6.979 6.042 ( -3.760 0.000 -7.189) 8.113 6.042 ( -3.760 0.000 7.189) 8.113 6.210 ( -0.016 0.000 -1.901) 1.901 6.210 ( -0.016 0.000 1.901) 1.901 6.670 ( -5.726 0.000 -8.423) 10.185 6.670 ( -5.726 0.000 8.423) 10.185 6.788 ( 2.585 -0.000 -4.442) 5.140 6.788 ( 2.585 -0.000 4.442) 5.140 6.908 ( -2.594 0.000 -3.988) 4.757 6.908 ( -2.594 0.000 3.988) 4.757 7.187 ( 3.957 -0.000 -4.763) 6.192 7.187 ( 3.957 -0.000 4.763) 6.192 7.353 ( -11.260 0.000 -5.523) 12.542 7.353 ( -11.260 0.000 5.523) 12.542 7.829 ( -9.215 0.000 -4.371) 10.199 7.829 ( -9.215 0.000 4.371) 10.199 8.550 ( 2.382 -0.000 -7.893) 8.245 8.550 ( 2.382 -0.000 7.893) 8.245 8.604 ( 2.911 -0.000 -1.057) 3.097 8.604 ( 2.911 -0.000 1.057) 3.097 8.882 ( -5.524 0.000 -1.997) 5.874 8.882 ( -5.524 0.000 1.997) 5.874 9.519 ( 10.838 -0.000 -4.680) 11.806 9.519 ( 10.838 -0.000 4.680) 11.806 10.304 ( -0.433 0.000 -1.655) 1.710 10.304 ( -0.433 0.000 1.655) 1.710 10.552 ( -2.936 0.000 -2.176) 3.655 10.552 ( -2.936 0.000 2.176) 3.655 11.695 ( -5.449 0.000 -3.876) 6.687 11.695 ( -5.449 0.000 3.876) 6.687 11.871 ( 4.621 -0.000 -0.648) 4.667 11.871 ( 4.621 -0.000 0.648) 4.667 11.906 ( 0.206 -0.000 -0.300) 0.364 11.906 ( 0.206 -0.000 0.300) 0.364 12.327 ( 0.603 -0.000 -0.445) 0.750 12.327 ( 0.603 -0.000 0.445) 0.750 13.478 ( -5.051 0.000 -2.834) 5.791 13.478 ( -5.051 0.000 2.834) 5.791 13.846 ( 10.062 -0.000 -0.916) 10.103 13.846 ( 10.062 -0.000 0.916) 10.103 ======================= Grid point 234 (71/75) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -3.073 0.853 -1.489) 3.520 0.964 ( -3.073 0.853 1.489) 3.520 1.098 ( -0.521 0.848 -4.230) 4.345 1.098 ( -0.521 0.848 4.230) 4.345 1.286 ( -7.388 5.833 -3.896) 10.188 1.286 ( -7.388 5.833 3.896) 10.188 1.351 ( -4.217 0.481 -8.702) 9.682 1.351 ( -4.217 0.481 8.702) 9.682 1.478 ( -3.112 -5.870 -3.778) 7.642 1.478 ( -3.112 -5.870 3.778) 7.642 1.717 ( 0.278 0.861 -1.810) 2.023 1.717 ( 0.278 0.861 1.810) 2.023 1.833 ( -0.077 0.245 -2.410) 2.423 1.833 ( -0.077 0.245 2.410) 2.423 1.888 ( 3.615 0.661 -2.273) 4.321 1.888 ( 3.615 0.661 2.273) 4.321 1.936 ( 1.385 0.358 -4.756) 4.967 1.936 ( 1.385 0.358 4.756) 4.967 2.041 ( -2.076 1.284 -1.524) 2.877 2.041 ( -2.076 1.284 1.524) 2.877 2.105 ( -0.479 -0.365 -0.638) 0.877 2.105 ( -0.479 -0.365 0.638) 0.877 2.111 ( 0.841 -1.209 -1.929) 2.427 2.111 ( 0.841 -1.209 1.929) 2.427 2.396 ( -2.367 3.215 -1.336) 4.210 2.396 ( -2.367 3.215 1.336) 4.210 2.425 ( 0.279 -0.218 -0.628) 0.721 2.425 ( 0.279 -0.218 0.628) 0.721 2.687 ( -6.355 -1.271 -1.633) 6.683 2.687 ( -6.355 -1.271 1.633) 6.683 2.781 ( -0.785 -0.314 -2.850) 2.972 2.781 ( -0.785 -0.314 2.850) 2.972 2.908 ( -0.143 0.510 -1.794) 1.870 2.908 ( -0.143 0.510 1.794) 1.870 3.067 ( -2.582 -2.296 -4.714) 5.845 3.067 ( -2.582 -2.296 4.714) 5.845 3.131 ( -3.250 -0.182 -2.106) 3.877 3.131 ( -3.250 -0.182 2.106) 3.877 3.317 ( -0.362 -0.847 -4.898) 4.984 3.317 ( -0.362 -0.847 4.898) 4.984 3.462 ( -1.369 0.447 -4.993) 5.196 3.462 ( -1.369 0.447 4.993) 5.196 3.817 ( 1.827 0.084 -8.509) 8.703 3.817 ( 1.827 0.084 8.509) 8.703 3.914 ( -2.597 -0.091 -5.905) 6.452 3.914 ( -2.597 -0.091 5.905) 6.452 4.261 ( -0.021 0.202 -1.958) 1.968 4.261 ( -0.021 0.202 1.958) 1.968 4.380 ( -5.133 0.491 -2.156) 5.589 4.380 ( -5.133 0.491 2.156) 5.589 4.588 ( -2.700 -0.444 -5.994) 6.589 4.588 ( -2.700 -0.444 5.994) 6.589 4.671 ( -2.472 0.218 -2.356) 3.422 4.671 ( -2.472 0.218 2.356) 3.422 5.124 ( 7.945 -0.410 -1.026) 8.022 5.124 ( 7.945 -0.410 1.026) 8.022 5.283 ( 5.074 -0.537 -2.483) 5.674 5.283 ( 5.074 -0.537 2.483) 5.674 5.664 ( -0.881 0.690 -1.646) 1.991 5.664 ( -0.881 0.690 1.646) 1.991 5.875 ( -4.836 -0.077 -11.516) 12.490 5.875 ( -4.836 -0.077 11.516) 12.490 5.977 ( -3.560 -0.739 -7.744) 8.555 5.977 ( -3.560 -0.739 7.744) 8.555 6.214 ( 0.366 -0.450 -4.178) 4.218 6.214 ( 0.366 -0.450 4.178) 4.218 6.558 ( -6.466 -0.342 -9.124) 11.188 6.558 ( -6.466 -0.342 9.124) 11.188 6.811 ( 0.879 1.732 -6.786) 7.059 6.811 ( 0.879 1.732 6.786) 7.059 6.890 ( -0.573 -2.210 -4.880) 5.388 6.890 ( -0.573 -2.210 4.880) 5.388 7.155 ( -9.142 0.410 -4.770) 10.320 7.155 ( -9.142 0.410 4.770) 10.320 7.258 ( 1.026 -2.245 -3.922) 4.634 7.258 ( 1.026 -2.245 3.922) 4.634 7.666 ( -7.241 -0.431 -2.272) 7.601 7.666 ( -7.241 -0.431 2.272) 7.601 8.518 ( -7.221 -0.681 -1.501) 7.407 8.518 ( -7.221 -0.681 1.501) 7.407 8.666 ( 3.882 0.444 -0.567) 3.948 8.666 ( 3.882 0.444 0.567) 3.948 8.839 ( 2.458 0.670 -13.378) 13.618 8.839 ( 2.458 0.670 13.378) 13.618 9.723 ( 11.172 0.365 -6.088) 12.728 9.723 ( 11.172 0.365 6.088) 12.728 10.214 ( -7.724 0.759 -1.813) 7.970 10.214 ( -7.724 0.759 1.813) 7.970 10.574 ( 4.445 -0.062 -4.173) 6.097 10.574 ( 4.445 -0.062 4.173) 6.097 11.544 ( -10.988 -0.333 -4.554) 11.899 11.544 ( -10.988 -0.333 4.554) 11.899 11.910 ( 0.474 -0.019 -0.613) 0.775 11.910 ( 0.474 -0.019 0.613) 0.775 11.984 ( 6.444 -0.412 -0.357) 6.467 11.984 ( 6.444 -0.412 0.357) 6.467 12.339 ( 0.720 0.147 -0.090) 0.741 12.339 ( 0.720 0.147 0.090) 0.741 13.408 ( -2.040 1.295 -3.974) 4.651 13.408 ( -2.040 1.295 3.974) 4.651 14.009 ( 7.917 0.098 -1.060) 7.988 14.009 ( 7.917 0.098 1.060) 7.988 ======================= Grid point 236 (72/75) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -1.266 3.835 -3.970) 5.663 0.904 ( -1.266 3.835 3.970) 5.663 1.048 ( -5.166 6.121 -3.851) 8.887 1.048 ( -5.166 6.121 3.851) 8.887 1.111 ( -4.491 1.320 -5.010) 6.857 1.111 ( -4.491 1.320 5.010) 6.857 1.297 ( -1.385 -0.285 -8.594) 8.709 1.297 ( -1.385 -0.285 8.594) 8.709 1.507 ( 0.337 -6.133 -3.448) 7.044 1.507 ( 0.337 -6.133 3.448) 7.044 1.706 ( 0.184 2.655 -3.488) 4.387 1.706 ( 0.184 2.655 3.488) 4.387 1.804 ( -2.408 4.058 -3.335) 5.778 1.804 ( -2.408 4.058 3.335) 5.778 1.874 ( -3.097 3.779 -2.522) 5.498 1.874 ( -3.097 3.779 2.522) 5.498 1.948 ( 1.215 -1.534 -3.357) 3.886 1.948 ( 1.215 -1.534 3.357) 3.886 1.988 ( -0.514 0.796 -2.554) 2.724 1.988 ( -0.514 0.796 2.554) 2.724 2.135 ( 0.321 -1.007 -2.528) 2.740 2.135 ( 0.321 -1.007 2.528) 2.740 2.141 ( 1.811 -1.232 -3.499) 4.128 2.141 ( 1.811 -1.232 3.499) 4.128 2.346 ( -0.232 2.843 -1.526) 3.235 2.346 ( -0.232 2.843 1.526) 3.235 2.445 ( 1.577 -0.444 -1.143) 1.998 2.445 ( 1.577 -0.444 1.143) 1.998 2.578 ( -6.053 -1.691 -0.620) 6.315 2.578 ( -6.053 -1.691 0.620) 6.315 2.773 ( -0.831 -0.437 -2.012) 2.220 2.773 ( -0.831 -0.437 2.012) 2.220 2.873 ( -1.173 0.778 -3.669) 3.930 2.873 ( -1.173 0.778 3.669) 3.930 3.051 ( -3.472 -1.742 -2.659) 4.707 3.051 ( -3.472 -1.742 2.659) 4.707 3.149 ( 4.482 -3.463 -10.040) 11.528 3.149 ( 4.482 -3.463 10.040) 11.528 3.306 ( -2.552 -2.521 -6.537) 7.457 3.306 ( -2.552 -2.521 6.537) 7.457 3.451 ( 0.679 1.011 -5.890) 6.015 3.451 ( 0.679 1.011 5.890) 6.015 3.829 ( -1.389 -0.464 -3.865) 4.133 3.829 ( -1.389 -0.464 3.865) 4.133 3.895 ( 1.587 1.063 -9.890) 10.073 3.895 ( 1.587 1.063 9.890) 10.073 4.215 ( -4.333 -0.093 -1.408) 4.557 4.215 ( -4.333 -0.093 1.408) 4.557 4.300 ( -2.614 1.196 -1.242) 3.132 4.300 ( -2.614 1.196 1.242) 3.132 4.535 ( -2.882 -0.110 -11.389) 11.749 4.535 ( -2.882 -0.110 11.389) 11.749 4.640 ( -0.744 0.672 -8.536) 8.595 4.640 ( -0.744 0.672 8.536) 8.595 5.277 ( 7.580 -0.328 -6.056) 9.708 5.277 ( 7.580 -0.328 6.056) 9.708 5.391 ( 5.696 -1.662 -1.523) 6.126 5.391 ( 5.696 -1.662 1.523) 6.126 5.617 ( -4.043 0.655 -2.411) 4.753 5.617 ( -4.043 0.655 2.411) 4.753 5.795 ( -3.270 -0.051 -17.353) 17.659 5.795 ( -3.270 -0.051 17.353) 17.659 5.931 ( -2.266 -1.552 -7.672) 8.149 5.931 ( -2.266 -1.552 7.672) 8.149 6.228 ( 0.502 -0.634 -5.727) 5.783 6.228 ( 0.502 -0.634 5.727) 5.783 6.460 ( -4.511 -1.554 -9.545) 10.671 6.460 ( -4.511 -1.554 9.545) 10.671 6.817 ( 0.968 0.999 -5.655) 5.823 6.817 ( 0.968 0.999 5.655) 5.823 6.871 ( -3.059 -0.989 -4.850) 5.819 6.871 ( -3.059 -0.989 4.850) 5.819 7.060 ( -1.200 -1.155 -1.525) 2.258 7.060 ( -1.200 -1.155 1.525) 2.258 7.216 ( -6.471 -1.425 -3.167) 7.344 7.216 ( -6.471 -1.425 3.167) 7.344 7.631 ( 1.666 -1.885 -3.502) 4.312 7.631 ( 1.666 -1.885 3.502) 4.312 8.361 ( -8.577 -0.400 -2.399) 8.915 8.361 ( -8.577 -0.400 2.399) 8.915 8.723 ( 2.657 0.589 -0.634) 2.794 8.723 ( 2.657 0.589 0.634) 2.794 8.921 ( 5.193 -0.508 -19.145) 19.843 8.921 ( 5.193 -0.508 19.145) 19.843 9.892 ( 7.405 0.485 -6.254) 9.705 9.892 ( 7.405 0.485 6.254) 9.705 10.071 ( -6.817 0.053 -1.103) 6.906 10.071 ( -6.817 0.053 1.103) 6.906 10.681 ( 7.419 1.106 -6.765) 10.101 10.681 ( 7.419 1.106 6.765) 10.101 11.323 ( -12.884 -0.382 -3.044) 13.245 11.323 ( -12.884 -0.382 3.044) 13.245 11.918 ( 0.266 -0.129 -1.286) 1.320 11.918 ( 0.266 -0.129 1.286) 1.320 12.083 ( 3.972 0.155 -0.124) 3.977 12.083 ( 3.972 0.155 0.124) 3.977 12.349 ( 0.560 0.285 -0.400) 0.745 12.349 ( 0.560 0.285 0.400) 0.745 13.380 ( 0.171 2.550 -5.327) 5.909 13.380 ( 0.171 2.550 5.327) 5.909 14.123 ( 4.683 0.153 -1.155) 4.826 14.123 ( 4.683 0.153 1.155) 4.826 ======================= Grid point 238 (73/75) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.000 6.898 -7.227) 9.991 0.867 ( -0.000 6.898 7.227) 9.991 0.897 ( -0.000 8.209 -9.761) 12.754 0.897 ( -0.000 8.209 9.761) 12.754 1.087 ( 0.000 -0.913 -4.448) 4.540 1.087 ( 0.000 -0.913 4.448) 4.540 1.295 ( 0.000 -0.878 -7.803) 7.852 1.295 ( 0.000 -0.878 7.803) 7.852 1.564 ( 0.000 -6.233 -5.007) 7.995 1.564 ( 0.000 -6.233 5.007) 7.995 1.696 ( -0.000 2.272 -4.262) 4.830 1.696 ( -0.000 2.272 4.262) 4.830 1.700 ( -0.000 9.571 -6.774) 11.725 1.700 ( -0.000 9.571 6.774) 11.725 1.807 ( -0.000 5.946 -4.358) 7.372 1.807 ( -0.000 5.946 4.358) 7.372 1.971 ( -0.000 0.342 -0.971) 1.029 1.971 ( -0.000 0.342 0.971) 1.029 1.994 ( 0.000 -3.057 -5.338) 6.151 1.994 ( 0.000 -3.057 5.338) 6.151 2.140 ( 0.000 -0.001 -2.686) 2.686 2.140 ( 0.000 -0.001 2.686) 2.686 2.173 ( 0.000 -2.997 -2.850) 4.136 2.173 ( 0.000 -2.997 2.850) 4.136 2.331 ( -0.000 1.526 -2.084) 2.583 2.331 ( -0.000 1.526 2.084) 2.583 2.472 ( -0.000 0.556 -1.018) 1.160 2.472 ( -0.000 0.556 1.018) 1.160 2.527 ( 0.000 -3.208 -2.986) 4.383 2.527 ( 0.000 -3.208 2.986) 4.383 2.761 ( 0.000 -0.121 -1.569) 1.574 2.761 ( 0.000 -0.121 1.569) 1.574 2.878 ( 0.000 -1.601 -5.052) 5.300 2.878 ( 0.000 -1.601 5.052) 5.300 3.018 ( 0.000 -0.865 -2.669) 2.805 3.018 ( 0.000 -0.865 2.669) 2.805 3.250 ( 0.000 -0.272 -5.605) 5.612 3.250 ( 0.000 -0.272 5.605) 5.612 3.279 ( 0.000 -5.980 -9.943) 11.603 3.279 ( 0.000 -5.980 9.943) 11.603 3.455 ( -0.000 0.961 -5.840) 5.918 3.455 ( -0.000 0.961 5.840) 5.918 3.812 ( 0.000 -0.706 -2.934) 3.018 3.812 ( 0.000 -0.706 2.934) 3.018 3.911 ( -0.000 1.326 -12.313) 12.384 3.911 ( -0.000 1.326 12.313) 12.384 4.161 ( -0.000 0.154 -2.289) 2.295 4.161 ( -0.000 0.154 2.289) 2.295 4.265 ( -0.000 1.824 -0.889) 2.029 4.265 ( -0.000 1.824 0.889) 2.029 4.506 ( -0.000 0.056 -12.678) 12.678 4.506 ( -0.000 0.056 12.678) 12.678 4.627 ( -0.000 1.212 -9.921) 9.995 4.627 ( -0.000 1.212 9.921) 9.995 5.360 ( 0.000 -0.452 -10.033) 10.043 5.360 ( 0.000 -0.452 10.033) 10.043 5.484 ( 0.000 -2.226 -5.095) 5.560 5.484 ( 0.000 -2.226 5.095) 5.560 5.543 ( 0.000 -0.088 -1.554) 1.557 5.543 ( 0.000 -0.088 1.554) 1.557 5.766 ( -0.000 0.300 -17.744) 17.746 5.766 ( -0.000 0.300 17.744) 17.746 5.927 ( 0.000 -2.312 -6.359) 6.766 5.927 ( 0.000 -2.312 6.359) 6.766 6.233 ( 0.000 -0.071 -6.157) 6.158 6.233 ( 0.000 -0.071 6.157) 6.158 6.441 ( 0.000 -3.824 -9.858) 10.574 6.441 ( 0.000 -3.824 9.858) 10.574 6.812 ( 0.000 -0.316 -4.114) 4.126 6.812 ( 0.000 -0.316 4.114) 4.126 6.852 ( -0.000 0.451 -9.655) 9.665 6.852 ( -0.000 0.451 9.655) 9.665 7.072 ( -0.000 0.158 -8.412) 8.413 7.072 ( -0.000 0.158 8.412) 8.413 7.145 ( 0.000 -2.762 -12.376) 12.680 7.145 ( 0.000 -2.762 12.376) 12.680 7.677 ( 0.000 -2.243 -5.866) 6.281 7.677 ( 0.000 -2.243 5.866) 6.281 8.277 ( 0.000 -0.550 -3.090) 3.139 8.277 ( 0.000 -0.550 3.090) 3.139 8.743 ( -0.000 0.859 -1.381) 1.626 8.743 ( -0.000 0.859 1.381) 1.626 8.990 ( 0.000 -2.963 -20.974) 21.182 8.990 ( 0.000 -2.963 20.974) 21.182 9.966 ( 0.000 -0.117 -5.640) 5.641 9.966 ( 0.000 -0.117 5.640) 5.641 9.996 ( -0.000 0.461 -0.750) 0.880 9.996 ( -0.000 0.461 0.750) 0.880 10.767 ( -0.000 1.705 -9.297) 9.452 10.767 ( -0.000 1.705 9.297) 9.452 11.171 ( -0.000 0.005 -0.195) 0.195 11.171 ( -0.000 0.005 0.195) 0.195 11.921 ( -0.000 0.163 -1.879) 1.886 11.921 ( -0.000 0.163 1.879) 1.886 12.117 ( -0.000 0.229 -0.365) 0.431 12.117 ( -0.000 0.229 0.365) 0.431 12.352 ( -0.000 0.415 -0.638) 0.761 12.352 ( -0.000 0.415 0.638) 0.761 13.359 ( -0.000 4.263 -7.019) 8.212 13.359 ( -0.000 4.263 7.019) 8.212 14.167 ( -0.000 0.034 -1.117) 1.117 14.167 ( -0.000 0.034 1.117) 1.117 ======================= Grid point 252 (74/75) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.512 0.000 -3.937) 3.970 0.933 ( -0.512 0.000 3.937) 3.970 1.089 ( -1.016 0.000 -3.854) 3.986 1.089 ( -1.016 0.000 3.854) 3.986 1.140 ( -9.451 0.000 -2.427) 9.758 1.140 ( -9.451 0.000 2.427) 9.758 1.298 ( -2.208 0.000 -9.658) 9.907 1.298 ( -2.208 0.000 9.658) 9.907 1.446 ( 1.384 -0.000 -0.082) 1.387 1.446 ( 1.384 -0.000 0.082) 1.387 1.730 ( 0.417 -0.000 -2.165) 2.205 1.730 ( 0.417 -0.000 2.165) 2.205 1.835 ( -0.071 0.000 -2.452) 2.453 1.835 ( -0.071 0.000 2.452) 2.453 1.903 ( -3.731 0.000 -1.527) 4.031 1.903 ( -3.731 0.000 1.527) 4.031 1.933 ( 1.252 -0.000 -1.864) 2.246 1.933 ( 1.252 -0.000 1.864) 2.246 1.997 ( -1.957 0.000 -0.388) 1.995 1.997 ( -1.957 0.000 0.388) 1.995 2.119 ( 1.522 -0.000 -2.226) 2.697 2.119 ( 1.522 -0.000 2.226) 2.697 2.137 ( 1.279 -0.000 -0.579) 1.404 2.137 ( 1.279 -0.000 0.579) 1.404 2.378 ( -0.732 0.000 -0.382) 0.826 2.378 ( -0.732 0.000 0.382) 0.826 2.440 ( 1.627 -0.000 -0.842) 1.832 2.440 ( 1.627 -0.000 0.842) 1.832 2.566 ( -5.746 0.000 -0.010) 5.746 2.566 ( -5.746 0.000 0.010) 5.746 2.770 ( -0.649 0.000 -2.261) 2.353 2.770 ( -0.649 0.000 2.261) 2.353 2.885 ( -2.076 0.000 -3.959) 4.470 2.885 ( -2.076 0.000 3.959) 4.470 3.031 ( -1.848 0.000 -1.042) 2.121 3.031 ( -1.848 0.000 1.042) 2.121 3.115 ( 2.634 -0.000 -11.695) 11.988 3.115 ( 2.634 -0.000 11.695) 11.988 3.287 ( -2.549 0.000 -6.192) 6.697 3.287 ( -2.549 0.000 6.192) 6.697 3.459 ( 0.560 -0.000 -5.992) 6.018 3.459 ( 0.560 -0.000 5.992) 6.018 3.826 ( -1.552 0.000 -3.781) 4.087 3.826 ( -1.552 0.000 3.781) 4.087 3.904 ( 2.019 -0.000 -9.867) 10.071 3.904 ( 2.019 -0.000 9.867) 10.071 4.214 ( -4.366 0.000 -1.351) 4.570 4.214 ( -4.366 0.000 1.351) 4.570 4.310 ( -2.461 0.000 -1.318) 2.792 4.310 ( -2.461 0.000 1.318) 2.792 4.534 ( -2.728 0.000 -11.377) 11.699 4.534 ( -2.728 0.000 11.377) 11.699 4.645 ( -0.590 0.000 -8.452) 8.473 4.645 ( -0.590 0.000 8.452) 8.473 5.275 ( 7.893 -0.000 -5.753) 9.767 5.275 ( 7.893 -0.000 5.753) 9.767 5.378 ( 5.473 -0.000 -0.697) 5.517 5.378 ( 5.473 -0.000 0.697) 5.517 5.623 ( -4.445 0.000 -2.157) 4.941 5.623 ( -4.445 0.000 2.157) 4.941 5.795 ( -3.123 0.000 -17.460) 17.737 5.795 ( -3.123 0.000 17.460) 17.737 5.918 ( -2.517 0.000 -9.108) 9.450 5.918 ( -2.517 0.000 9.108) 9.450 6.223 ( 0.784 -0.000 -5.567) 5.622 6.223 ( 0.784 -0.000 5.567) 5.622 6.449 ( -4.931 0.000 -9.473) 10.679 6.449 ( -4.931 0.000 9.473) 10.679 6.829 ( -0.116 0.000 -2.451) 2.454 6.829 ( -0.116 0.000 2.451) 2.454 6.858 ( -1.674 0.000 -1.515) 2.257 6.858 ( -1.674 0.000 1.515) 2.257 7.053 ( -1.343 0.000 -1.770) 2.222 7.053 ( -1.343 0.000 1.770) 2.222 7.204 ( -5.832 0.000 -1.333) 5.983 7.204 ( -5.832 0.000 1.333) 5.983 7.616 ( 1.379 -0.000 -2.457) 2.817 7.616 ( 1.379 -0.000 2.457) 2.817 8.357 ( -8.476 0.000 -2.312) 8.785 8.357 ( -8.476 0.000 2.312) 8.785 8.728 ( 2.553 -0.000 -0.272) 2.568 8.728 ( 2.553 -0.000 0.272) 2.568 8.920 ( 4.714 -0.000 -18.395) 18.990 8.920 ( 4.714 -0.000 18.395) 18.990 9.895 ( 7.149 -0.000 -6.020) 9.346 9.895 ( 7.149 -0.000 6.020) 9.346 10.072 ( -6.968 0.000 -1.068) 7.050 10.072 ( -6.968 0.000 1.068) 7.050 10.691 ( 7.777 -0.000 -6.821) 10.345 10.691 ( 7.777 -0.000 6.821) 10.345 11.321 ( -12.651 0.000 -2.965) 12.993 11.321 ( -12.651 0.000 2.965) 12.993 11.916 ( 0.250 -0.000 -0.003) 0.250 11.916 ( 0.250 -0.000 0.003) 0.250 12.085 ( 4.277 -0.000 -0.338) 4.290 12.085 ( 4.277 -0.000 0.338) 4.290 12.351 ( 0.560 -0.000 -0.264) 0.618 12.351 ( 0.560 -0.000 0.264) 0.618 13.398 ( 0.001 -0.000 -4.467) 4.467 13.398 ( 0.001 -0.000 4.467) 4.467 14.125 ( 4.604 -0.000 -1.202) 4.758 14.125 ( 4.604 -0.000 1.202) 4.758 ======================= Grid point 256 (75/75) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.000 2.198 -5.599) 6.015 0.939 ( -0.000 2.198 5.599) 6.015 1.000 ( -0.000 4.204 -5.685) 7.070 1.000 ( -0.000 4.204 5.685) 7.070 1.085 ( -0.000 0.375 -4.435) 4.451 1.085 ( -0.000 0.375 4.435) 4.451 1.281 ( 0.000 -0.607 -9.120) 9.141 1.281 ( 0.000 -0.607 9.120) 9.141 1.479 ( 0.000 -3.608 -2.530) 4.407 1.479 ( 0.000 -3.608 2.530) 4.407 1.729 ( -0.000 1.413 -2.984) 3.301 1.729 ( -0.000 1.413 2.984) 3.301 1.809 ( -0.000 4.146 -2.543) 4.864 1.809 ( -0.000 4.146 2.543) 4.864 1.865 ( -0.000 1.448 -1.844) 2.344 1.865 ( -0.000 1.448 1.844) 2.344 1.955 ( 0.000 -1.582 -6.380) 6.573 1.955 ( 0.000 -1.582 6.380) 6.573 1.973 ( 0.000 -0.233 -1.672) 1.689 1.973 ( 0.000 -0.233 1.672) 1.689 2.133 ( 0.000 -0.092 -3.038) 3.039 2.133 ( 0.000 -0.092 3.038) 3.039 2.153 ( 0.000 -0.703 -2.517) 2.613 2.153 ( 0.000 -0.703 2.517) 2.613 2.366 ( -0.000 2.164 -0.647) 2.259 2.366 ( -0.000 2.164 0.647) 2.259 2.478 ( -0.000 0.204 -1.047) 1.067 2.478 ( -0.000 0.204 1.047) 1.067 2.494 ( 0.000 -1.052 -2.611) 2.815 2.494 ( 0.000 -1.052 2.611) 2.815 2.760 ( 0.000 -0.031 -1.093) 1.093 2.760 ( 0.000 -0.031 1.093) 1.093 2.866 ( 0.000 -0.056 -6.401) 6.401 2.866 ( 0.000 -0.056 6.401) 6.401 3.008 ( 0.000 -0.371 -2.760) 2.785 3.008 ( 0.000 -0.371 2.760) 2.785 3.182 ( 0.000 -4.664 -14.745) 15.465 3.182 ( 0.000 -4.664 14.745) 15.465 3.247 ( 0.000 -0.104 -4.775) 4.776 3.247 ( 0.000 -0.104 4.775) 4.776 3.466 ( -0.000 0.404 -6.292) 6.305 3.466 ( -0.000 0.404 6.292) 6.305 3.805 ( 0.000 -0.218 -2.892) 2.900 3.805 ( 0.000 -0.218 2.892) 2.900 3.931 ( -0.000 0.807 -11.207) 11.236 3.931 ( -0.000 0.807 11.207) 11.236 4.162 ( -0.000 0.029 -2.404) 2.404 4.162 ( -0.000 0.029 2.404) 2.404 4.286 ( -0.000 0.702 -0.844) 1.097 4.286 ( -0.000 0.702 0.844) 1.097 4.506 ( -0.000 0.020 -12.737) 12.737 4.506 ( -0.000 0.020 12.737) 12.737 4.640 ( -0.000 0.459 -9.741) 9.751 4.640 ( -0.000 0.459 9.741) 9.751 5.358 ( -0.000 0.043 -10.517) 10.517 5.358 ( -0.000 0.043 10.517) 10.517 5.461 ( 0.000 -0.832 -5.399) 5.463 5.461 ( 0.000 -0.832 5.399) 5.463 5.542 ( 0.000 -0.037 -1.235) 1.235 5.542 ( 0.000 -0.037 1.235) 1.235 5.770 ( -0.000 0.122 -17.688) 17.688 5.770 ( -0.000 0.122 17.688) 17.688 5.897 ( 0.000 -1.152 -9.218) 9.289 5.897 ( 0.000 -1.152 9.218) 9.289 6.233 ( 0.000 -0.029 -6.032) 6.032 6.233 ( 0.000 -0.029 6.032) 6.032 6.404 ( 0.000 -1.087 -9.591) 9.652 6.404 ( 0.000 -1.087 9.591) 9.652 6.809 ( 0.000 -0.125 -4.093) 4.095 6.809 ( 0.000 -0.125 4.093) 4.095 6.856 ( -0.000 0.125 -9.209) 9.210 6.856 ( -0.000 0.125 9.209) 9.210 7.074 ( -0.000 0.062 -8.399) 8.399 7.074 ( -0.000 0.062 8.399) 8.399 7.117 ( 0.000 -0.885 -12.325) 12.357 7.117 ( 0.000 -0.885 12.325) 12.357 7.647 ( 0.000 -1.152 -4.645) 4.785 7.647 ( 0.000 -1.152 4.645) 4.785 8.271 ( 0.000 -0.217 -3.103) 3.111 8.271 ( 0.000 -0.217 3.103) 3.111 8.751 ( -0.000 0.220 -0.417) 0.472 8.751 ( -0.000 0.220 0.418) 0.472 8.970 ( 0.000 -0.347 -19.693) 19.696 8.970 ( 0.000 -0.347 19.693) 19.696 9.963 ( 0.000 -0.128 -5.881) 5.882 9.963 ( 0.000 -0.128 5.881) 5.882 10.001 ( -0.000 0.181 -0.750) 0.771 10.001 ( -0.000 0.181 0.750) 0.771 10.789 ( -0.000 0.851 -9.714) 9.752 10.789 ( -0.000 0.851 9.714) 9.752 11.171 ( -0.000 0.002 -0.192) 0.192 11.171 ( -0.000 0.002 0.192) 0.192 11.919 ( 0.000 -0.155 -0.631) 0.650 11.919 ( 0.000 -0.155 0.631) 0.650 12.124 ( -0.000 0.359 -0.236) 0.430 12.124 ( -0.000 0.359 0.236) 0.430 12.356 ( -0.000 0.144 -0.427) 0.451 12.356 ( -0.000 0.144 0.427) 0.451 13.396 ( -0.000 1.007 -4.926) 5.028 13.396 ( -0.000 1.007 4.926) 5.028 14.167 ( -0.000 0.008 -1.234) 1.234 14.167 ( -0.000 0.008 1.234) 1.234 =================== 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 3/33048 10.0 47.889 45.329 38.076 0.000 0.000 -0.000 3/33048 20.0 9.554 6.600 6.532 0.000 0.000 -0.000 3/33048 30.0 4.599 2.987 3.182 0.000 0.000 -0.000 3/33048 40.0 2.973 1.881 2.101 0.000 0.000 -0.000 3/33048 50.0 2.205 1.369 1.602 0.000 0.000 -0.000 3/33048 60.0 1.765 1.078 1.320 0.000 0.000 -0.000 3/33048 70.0 1.481 0.892 1.135 0.000 0.000 -0.000 3/33048 80.0 1.281 0.763 1.002 0.000 0.000 -0.000 3/33048 90.0 1.132 0.668 0.899 0.000 0.000 -0.000 3/33048 100.0 1.017 0.595 0.817 0.000 0.000 -0.000 3/33048 110.0 0.925 0.537 0.749 0.000 0.000 -0.000 3/33048 120.0 0.848 0.490 0.691 0.000 0.000 -0.000 3/33048 130.0 0.785 0.451 0.642 0.000 0.000 -0.000 3/33048 140.0 0.730 0.418 0.599 0.000 0.000 -0.000 3/33048 150.0 0.683 0.390 0.562 0.000 0.000 -0.000 3/33048 160.0 0.642 0.365 0.529 0.000 0.000 -0.000 3/33048 170.0 0.606 0.344 0.499 0.000 0.000 -0.000 3/33048 180.0 0.573 0.325 0.473 0.000 0.000 -0.000 3/33048 190.0 0.544 0.308 0.449 0.000 0.000 -0.000 3/33048 200.0 0.518 0.292 0.428 0.000 0.000 -0.000 3/33048 210.0 0.494 0.279 0.408 0.000 0.000 -0.000 3/33048 220.0 0.473 0.266 0.390 0.000 0.000 -0.000 3/33048 230.0 0.453 0.255 0.374 0.000 0.000 -0.000 3/33048 240.0 0.435 0.244 0.359 0.000 0.000 -0.000 3/33048 250.0 0.418 0.235 0.345 0.000 0.000 -0.000 3/33048 260.0 0.402 0.226 0.332 0.000 0.000 -0.000 3/33048 270.0 0.388 0.217 0.320 0.000 0.000 -0.000 3/33048 280.0 0.375 0.210 0.309 0.000 0.000 -0.000 3/33048 290.0 0.362 0.203 0.299 0.000 0.000 -0.000 3/33048 300.0 0.350 0.196 0.289 0.000 0.000 -0.000 3/33048 310.0 0.339 0.190 0.280 0.000 0.000 -0.000 3/33048 320.0 0.329 0.184 0.271 0.000 0.000 -0.000 3/33048 330.0 0.319 0.178 0.263 0.000 0.000 -0.000 3/33048 340.0 0.310 0.173 0.256 0.000 0.000 -0.000 3/33048 350.0 0.301 0.168 0.248 0.000 0.000 -0.000 3/33048 360.0 0.293 0.164 0.242 0.000 0.000 -0.000 3/33048 370.0 0.285 0.159 0.235 0.000 0.000 -0.000 3/33048 380.0 0.278 0.155 0.229 0.000 0.000 -0.000 3/33048 390.0 0.271 0.151 0.223 0.000 0.000 -0.000 3/33048 400.0 0.264 0.147 0.218 0.000 0.000 -0.000 3/33048 410.0 0.258 0.144 0.213 0.000 0.000 -0.000 3/33048 420.0 0.252 0.141 0.208 0.000 0.000 -0.000 3/33048 430.0 0.246 0.137 0.203 0.000 0.000 -0.000 3/33048 440.0 0.241 0.134 0.198 0.000 0.000 -0.000 3/33048 450.0 0.236 0.131 0.194 0.000 0.000 -0.000 3/33048 460.0 0.231 0.128 0.190 0.000 0.000 -0.000 3/33048 470.0 0.226 0.126 0.186 0.000 0.000 -0.000 3/33048 480.0 0.221 0.123 0.182 0.000 0.000 -0.000 3/33048 490.0 0.217 0.121 0.178 0.000 0.000 -0.000 3/33048 500.0 0.212 0.118 0.175 0.000 0.000 -0.000 3/33048 510.0 0.208 0.116 0.171 0.000 0.000 -0.000 3/33048 520.0 0.204 0.114 0.168 0.000 0.000 -0.000 3/33048 530.0 0.200 0.112 0.165 0.000 0.000 -0.000 3/33048 540.0 0.197 0.110 0.162 0.000 0.000 -0.000 3/33048 550.0 0.193 0.108 0.159 0.000 0.000 -0.000 3/33048 560.0 0.190 0.106 0.156 0.000 0.000 -0.000 3/33048 570.0 0.187 0.104 0.153 0.000 0.000 -0.000 3/33048 580.0 0.183 0.102 0.151 0.000 0.000 -0.000 3/33048 590.0 0.180 0.100 0.148 0.000 0.000 -0.000 3/33048 600.0 0.177 0.099 0.146 0.000 0.000 -0.000 3/33048 610.0 0.174 0.097 0.143 0.000 0.000 -0.000 3/33048 620.0 0.172 0.095 0.141 0.000 0.000 -0.000 3/33048 630.0 0.169 0.094 0.139 0.000 0.000 -0.000 3/33048 640.0 0.166 0.093 0.137 0.000 0.000 -0.000 3/33048 650.0 0.164 0.091 0.135 0.000 0.000 -0.000 3/33048 660.0 0.161 0.090 0.133 0.000 0.000 -0.000 3/33048 670.0 0.159 0.088 0.131 0.000 0.000 -0.000 3/33048 680.0 0.157 0.087 0.129 0.000 0.000 -0.000 3/33048 690.0 0.154 0.086 0.127 0.000 0.000 -0.000 3/33048 700.0 0.152 0.085 0.125 0.000 0.000 -0.000 3/33048 710.0 0.150 0.083 0.123 0.000 0.000 -0.000 3/33048 720.0 0.148 0.082 0.122 0.000 0.000 -0.000 3/33048 730.0 0.146 0.081 0.120 0.000 0.000 -0.000 3/33048 740.0 0.144 0.080 0.118 0.000 0.000 -0.000 3/33048 750.0 0.142 0.079 0.117 0.000 0.000 -0.000 3/33048 760.0 0.140 0.078 0.115 0.000 0.000 -0.000 3/33048 770.0 0.138 0.077 0.114 0.000 0.000 -0.000 3/33048 780.0 0.137 0.076 0.112 0.000 0.000 -0.000 3/33048 790.0 0.135 0.075 0.111 0.000 0.000 -0.000 3/33048 800.0 0.133 0.074 0.109 0.000 0.000 -0.000 3/33048 810.0 0.132 0.073 0.108 0.000 0.000 -0.000 3/33048 820.0 0.130 0.072 0.107 0.000 0.000 -0.000 3/33048 830.0 0.129 0.071 0.106 0.000 0.000 -0.000 3/33048 840.0 0.127 0.071 0.104 0.000 0.000 -0.000 3/33048 850.0 0.125 0.070 0.103 0.000 0.000 -0.000 3/33048 860.0 0.124 0.069 0.102 0.000 0.000 -0.000 3/33048 870.0 0.123 0.068 0.101 0.000 0.000 -0.000 3/33048 880.0 0.121 0.067 0.100 0.000 0.000 -0.000 3/33048 890.0 0.120 0.067 0.098 0.000 0.000 -0.000 3/33048 900.0 0.119 0.066 0.097 0.000 0.000 -0.000 3/33048 910.0 0.117 0.065 0.096 0.000 0.000 -0.000 3/33048 920.0 0.116 0.064 0.095 0.000 0.000 -0.000 3/33048 930.0 0.115 0.064 0.094 0.000 0.000 -0.000 3/33048 940.0 0.114 0.063 0.093 0.000 0.000 -0.000 3/33048 950.0 0.112 0.062 0.092 0.000 0.000 -0.000 3/33048 960.0 0.111 0.062 0.091 0.000 0.000 -0.000 3/33048 970.0 0.110 0.061 0.090 0.000 0.000 -0.000 3/33048 980.0 0.109 0.061 0.089 0.000 0.000 -0.000 3/33048 990.0 0.108 0.060 0.089 0.000 0.000 -0.000 3/33048 1000.0 0.107 0.059 0.088 0.000 0.000 -0.000 3/33048 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:09:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|