----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:19:19]------------------------- 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: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.675124739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.049643780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.338265410000000 Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *3 Na 0.77107149826554 0.75000000000000 0.49106824109424 22.990 4 Na 0.72892850173446 0.25000000000000 0.99106824109424 22.990 5 Na 0.27107149826554 0.75000000000000 0.00893175890576 22.990 6 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 7 Na 0.22892850173446 0.25000000000000 0.50893175890576 22.990 8 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 *9 Zn 0.40766267076729 0.25000000000000 0.08869443597029 65.380 10 Zn 0.09233732923271 0.75000000000000 0.58869443597029 65.380 11 Zn 0.59233732923271 0.75000000000000 0.91130556402971 65.380 12 Zn 0.90766267076729 0.25000000000000 0.41130556402971 65.380 *13 Cl 0.59250992239326 0.75000000000000 0.26358881095099 35.453 *14 Cl 0.56100311693675 0.25000000000000 0.23155964102050 35.453 *15 Cl 0.66619663618054 0.97294329679127 0.75927946861494 35.453 16 Cl 0.93899688306325 0.75000000000000 0.73155964102050 35.453 17 Cl 0.90749007760674 0.25000000000000 0.76358881095099 35.453 18 Cl 0.40749007760674 0.25000000000000 0.73641118904901 35.453 19 Cl 0.83380336381946 0.47294329679127 0.25927946861494 35.453 20 Cl 0.06100311693676 0.25000000000000 0.26844035897950 35.453 21 Cl 0.16619663618054 0.97294329679127 0.74072053138506 35.453 22 Cl 0.33380336381946 0.47294329679127 0.24072053138506 35.453 23 Cl 0.33380336381946 0.02705670320873 0.24072053138506 35.453 24 Cl 0.83380336381946 0.02705670320873 0.25927946861494 35.453 25 Cl 0.66619663618054 0.52705670320873 0.75927946861494 35.453 26 Cl 0.09250992239326 0.75000000000000 0.23641118904901 35.453 27 Cl 0.43899688306325 0.75000000000000 0.76844035897950 35.453 28 Cl 0.16619663618054 0.52705670320873 0.74072053138506 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.675124739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.049643780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.338265410000000 Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 2 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 2 *3 Na 0.77107149826554 0.75000000000000 0.49106824109424 22.990 > 3 4 Na 0.72892850173446 0.25000000000000 0.99106824109424 22.990 > 4 5 Na 0.27107149826554 0.75000000000000 0.00893175890576 22.990 > 5 6 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 6 7 Na 0.22892850173446 0.25000000000000 0.50893175890576 22.990 > 7 8 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 8 *9 Zn 0.40766267076729 0.25000000000000 0.08869443597029 65.380 > 9 10 Zn 0.09233732923271 0.75000000000000 0.58869443597029 65.380 > 10 11 Zn 0.59233732923271 0.75000000000000 0.91130556402971 65.380 > 11 12 Zn 0.90766267076729 0.25000000000000 0.41130556402971 65.380 > 12 *13 Cl 0.59250992239326 0.75000000000000 0.26358881095099 35.453 > 13 *14 Cl 0.56100311693675 0.25000000000000 0.23155964102050 35.453 > 14 *15 Cl 0.66619663618054 0.97294329679127 0.75927946861494 35.453 > 15 16 Cl 0.93899688306325 0.75000000000000 0.73155964102050 35.453 > 16 17 Cl 0.90749007760674 0.25000000000000 0.76358881095099 35.453 > 17 18 Cl 0.40749007760674 0.25000000000000 0.73641118904901 35.453 > 18 19 Cl 0.83380336381946 0.47294329679127 0.25927946861494 35.453 > 19 20 Cl 0.06100311693676 0.25000000000000 0.26844035897950 35.453 > 20 21 Cl 0.16619663618054 0.97294329679127 0.74072053138506 35.453 > 21 22 Cl 0.33380336381946 0.47294329679127 0.24072053138506 35.453 > 22 23 Cl 0.33380336381946 0.02705670320873 0.24072053138506 35.453 > 23 24 Cl 0.83380336381946 0.02705670320873 0.25927946861494 35.453 > 24 25 Cl 0.66619663618054 0.52705670320873 0.75927946861494 35.453 > 25 26 Cl 0.09250992239326 0.75000000000000 0.23641118904901 35.453 > 26 27 Cl 0.43899688306325 0.75000000000000 0.76844035897950 35.453 > 27 28 Cl 0.16619663618054 0.52705670320873 0.74072053138506 35.453 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.675124739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.099287560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.676530820000000 Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 1 2 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 1 3 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 1 5 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 2 6 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 2 7 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 2 8 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 2 *9 Na 0.77107149826554 0.37500000000000 0.24553412054712 22.990 > 3 10 Na 0.77107149826554 0.87500000000000 0.24553412054712 22.990 > 3 11 Na 0.77107149826554 0.37500000000000 0.74553412054712 22.990 > 3 12 Na 0.77107149826554 0.87500000000000 0.74553412054712 22.990 > 3 13 Na 0.72892850173446 0.12500000000000 0.49553412054712 22.990 > 4 14 Na 0.72892850173446 0.62500000000000 0.49553412054712 22.990 > 4 15 Na 0.72892850173446 0.12500000000000 0.99553412054712 22.990 > 4 16 Na 0.72892850173446 0.62500000000000 0.99553412054712 22.990 > 4 17 Na 0.27107149826554 0.37500000000000 0.00446587945288 22.990 > 5 18 Na 0.27107149826554 0.87500000000000 0.00446587945288 22.990 > 5 19 Na 0.27107149826554 0.37500000000000 0.50446587945288 22.990 > 5 20 Na 0.27107149826554 0.87500000000000 0.50446587945288 22.990 > 5 21 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 6 22 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 6 23 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 6 24 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 6 25 Na 0.22892850173446 0.12500000000000 0.25446587945288 22.990 > 7 26 Na 0.22892850173446 0.62500000000000 0.25446587945288 22.990 > 7 27 Na 0.22892850173446 0.12500000000000 0.75446587945288 22.990 > 7 28 Na 0.22892850173446 0.62500000000000 0.75446587945288 22.990 > 7 29 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 8 30 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 8 31 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 8 32 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 8 *33 Zn 0.40766267076729 0.12500000000000 0.04434721798514 65.380 > 9 34 Zn 0.40766267076729 0.62500000000000 0.04434721798514 65.380 > 9 35 Zn 0.40766267076729 0.12500000000000 0.54434721798514 65.380 > 9 36 Zn 0.40766267076729 0.62500000000000 0.54434721798514 65.380 > 9 37 Zn 0.09233732923271 0.37500000000000 0.29434721798514 65.380 > 10 38 Zn 0.09233732923271 0.87500000000000 0.29434721798514 65.380 > 10 39 Zn 0.09233732923271 0.37500000000000 0.79434721798514 65.380 > 10 40 Zn 0.09233732923271 0.87500000000000 0.79434721798514 65.380 > 10 41 Zn 0.59233732923271 0.37500000000000 0.45565278201486 65.380 > 11 42 Zn 0.59233732923271 0.87500000000000 0.45565278201486 65.380 > 11 43 Zn 0.59233732923271 0.37500000000000 0.95565278201486 65.380 > 11 44 Zn 0.59233732923271 0.87500000000000 0.95565278201486 65.380 > 11 45 Zn 0.90766267076729 0.12500000000000 0.20565278201486 65.380 > 12 46 Zn 0.90766267076729 0.62500000000000 0.20565278201486 65.380 > 12 47 Zn 0.90766267076729 0.12500000000000 0.70565278201486 65.380 > 12 48 Zn 0.90766267076729 0.62500000000000 0.70565278201486 65.380 > 12 *49 Cl 0.59250992239326 0.37500000000000 0.13179440547550 35.453 > 13 50 Cl 0.59250992239326 0.87500000000000 0.13179440547550 35.453 > 13 51 Cl 0.59250992239326 0.37500000000000 0.63179440547550 35.453 > 13 52 Cl 0.59250992239326 0.87500000000000 0.63179440547550 35.453 > 13 *53 Cl 0.56100311693675 0.12500000000000 0.11577982051025 35.453 > 14 54 Cl 0.56100311693675 0.62500000000000 0.11577982051025 35.453 > 14 55 Cl 0.56100311693675 0.12500000000000 0.61577982051025 35.453 > 14 56 Cl 0.56100311693675 0.62500000000000 0.61577982051025 35.453 > 14 *57 Cl 0.66619663618054 0.48647164839564 0.37963973430747 35.453 > 15 58 Cl 0.66619663618054 0.98647164839564 0.37963973430747 35.453 > 15 59 Cl 0.66619663618054 0.48647164839564 0.87963973430747 35.453 > 15 60 Cl 0.66619663618054 0.98647164839564 0.87963973430747 35.453 > 15 61 Cl 0.93899688306325 0.37500000000000 0.36577982051025 35.453 > 16 62 Cl 0.93899688306325 0.87500000000000 0.36577982051025 35.453 > 16 63 Cl 0.93899688306325 0.37500000000000 0.86577982051025 35.453 > 16 64 Cl 0.93899688306325 0.87500000000000 0.86577982051025 35.453 > 16 65 Cl 0.90749007760674 0.12500000000000 0.38179440547550 35.453 > 17 66 Cl 0.90749007760674 0.62500000000000 0.38179440547550 35.453 > 17 67 Cl 0.90749007760674 0.12500000000000 0.88179440547550 35.453 > 17 68 Cl 0.90749007760674 0.62500000000000 0.88179440547550 35.453 > 17 69 Cl 0.40749007760674 0.12500000000000 0.36820559452450 35.453 > 18 70 Cl 0.40749007760674 0.62500000000000 0.36820559452450 35.453 > 18 71 Cl 0.40749007760674 0.12500000000000 0.86820559452450 35.453 > 18 72 Cl 0.40749007760674 0.62500000000000 0.86820559452450 35.453 > 18 73 Cl 0.83380336381946 0.23647164839564 0.12963973430747 35.453 > 19 74 Cl 0.83380336381946 0.73647164839564 0.12963973430747 35.453 > 19 75 Cl 0.83380336381946 0.23647164839564 0.62963973430747 35.453 > 19 76 Cl 0.83380336381946 0.73647164839564 0.62963973430747 35.453 > 19 77 Cl 0.06100311693676 0.12500000000000 0.13422017948975 35.453 > 20 78 Cl 0.06100311693676 0.62500000000000 0.13422017948975 35.453 > 20 79 Cl 0.06100311693676 0.12500000000000 0.63422017948975 35.453 > 20 80 Cl 0.06100311693676 0.62500000000000 0.63422017948975 35.453 > 20 81 Cl 0.16619663618054 0.48647164839564 0.37036026569253 35.453 > 21 82 Cl 0.16619663618054 0.98647164839564 0.37036026569253 35.453 > 21 83 Cl 0.16619663618054 0.48647164839564 0.87036026569253 35.453 > 21 84 Cl 0.16619663618054 0.98647164839564 0.87036026569253 35.453 > 21 85 Cl 0.33380336381946 0.23647164839564 0.12036026569253 35.453 > 22 86 Cl 0.33380336381946 0.73647164839564 0.12036026569253 35.453 > 22 87 Cl 0.33380336381946 0.23647164839564 0.62036026569253 35.453 > 22 88 Cl 0.33380336381946 0.73647164839564 0.62036026569253 35.453 > 22 89 Cl 0.33380336381946 0.01352835160436 0.12036026569253 35.453 > 23 90 Cl 0.33380336381946 0.51352835160436 0.12036026569253 35.453 > 23 91 Cl 0.33380336381946 0.01352835160436 0.62036026569253 35.453 > 23 92 Cl 0.33380336381946 0.51352835160436 0.62036026569253 35.453 > 23 93 Cl 0.83380336381946 0.01352835160436 0.12963973430747 35.453 > 24 94 Cl 0.83380336381946 0.51352835160436 0.12963973430747 35.453 > 24 95 Cl 0.83380336381946 0.01352835160436 0.62963973430747 35.453 > 24 96 Cl 0.83380336381946 0.51352835160436 0.62963973430747 35.453 > 24 97 Cl 0.66619663618054 0.26352835160436 0.37963973430747 35.453 > 25 98 Cl 0.66619663618054 0.76352835160436 0.37963973430747 35.453 > 25 99 Cl 0.66619663618054 0.26352835160436 0.87963973430747 35.453 > 25 100 Cl 0.66619663618054 0.76352835160436 0.87963973430747 35.453 > 25 101 Cl 0.09250992239326 0.37500000000000 0.11820559452450 35.453 > 26 102 Cl 0.09250992239326 0.87500000000000 0.11820559452450 35.453 > 26 103 Cl 0.09250992239326 0.37500000000000 0.61820559452450 35.453 > 26 104 Cl 0.09250992239326 0.87500000000000 0.61820559452450 35.453 > 26 105 Cl 0.43899688306325 0.37500000000000 0.38422017948975 35.453 > 27 106 Cl 0.43899688306325 0.87500000000000 0.38422017948975 35.453 > 27 107 Cl 0.43899688306325 0.37500000000000 0.88422017948975 35.453 > 27 108 Cl 0.43899688306325 0.87500000000000 0.88422017948975 35.453 > 27 109 Cl 0.16619663618054 0.26352835160436 0.37036026569253 35.453 > 28 110 Cl 0.16619663618054 0.76352835160436 0.37036026569253 35.453 > 28 111 Cl 0.16619663618054 0.26352835160436 0.87036026569253 35.453 > 28 112 Cl 0.16619663618054 0.76352835160436 0.87036026569253 35.453 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5748048 0.0000000 0.0000000 0.0000000 2.5864188 0.0000000 0.0000000 0.0000000 2.6872311 -------------------------- Born effective charges -------------------------- 1 Na 0.9494326 -0.1879023 0.0582242 -0.1502699 1.1052182 -0.1014585 -0.0225538 0.0215735 1.2000606 2 Na 0.9494326 0.1879023 0.0582242 0.1502699 1.1052182 0.1014585 -0.0225538 -0.0215735 1.2000606 3 Na 1.2659101 0.0000000 -0.0397388 0.0000000 1.1450034 0.0000000 0.0311059 0.0000000 1.0692103 4 Na 1.2659101 0.0000000 0.0397388 0.0000000 1.1450034 0.0000000 -0.0311059 0.0000000 1.0692103 5 Na 1.2659101 0.0000000 0.0397388 0.0000000 1.1450034 0.0000000 -0.0311059 0.0000000 1.0692103 6 Na 0.9494326 -0.1879023 -0.0582242 -0.1502699 1.1052182 0.1014585 0.0225538 -0.0215735 1.2000606 7 Na 1.2659101 0.0000000 -0.0397388 0.0000000 1.1450034 0.0000000 0.0311059 0.0000000 1.0692103 8 Na 0.9494326 0.1879023 -0.0582242 0.1502699 1.1052182 -0.1014585 0.0225538 0.0215735 1.2000606 9 Zn 1.6419035 0.0000000 -0.0066566 0.0000000 1.7332568 0.0000000 -0.0123352 0.0000000 1.9774988 10 Zn 1.6419035 0.0000000 0.0066566 0.0000000 1.7332568 0.0000000 0.0123352 0.0000000 1.9774988 11 Zn 1.6419035 0.0000000 -0.0066566 0.0000000 1.7332568 0.0000000 -0.0123352 0.0000000 1.9774988 12 Zn 1.6419035 0.0000000 0.0066566 0.0000000 1.7332568 0.0000000 0.0123352 0.0000000 1.9774988 13 Cl -0.7387488 0.0000000 0.0024923 0.0000000 -0.7393970 0.0000000 0.0042185 0.0000000 -1.5348234 14 Cl -1.3140859 0.0000000 -0.1110263 0.0000000 -0.7666286 0.0000000 -0.0661903 0.0000000 -0.9045003 15 Cl -0.9022058 -0.2078234 0.0750725 -0.2424486 -1.2387264 0.1042707 0.0598997 0.0607203 -0.9037230 16 Cl -1.3140859 0.0000000 0.1110263 0.0000000 -0.7666286 0.0000000 0.0661903 0.0000000 -0.9045003 17 Cl -0.7387488 0.0000000 -0.0024923 0.0000000 -0.7393970 0.0000000 -0.0042185 0.0000000 -1.5348234 18 Cl -0.7387488 0.0000000 0.0024923 0.0000000 -0.7393970 0.0000000 0.0042185 0.0000000 -1.5348234 19 Cl -0.9022058 0.2078234 -0.0750725 0.2424486 -1.2387264 0.1042707 -0.0598997 0.0607203 -0.9037230 20 Cl -1.3140859 0.0000000 0.1110263 0.0000000 -0.7666286 0.0000000 0.0661903 0.0000000 -0.9045003 21 Cl -0.9022058 -0.2078234 -0.0750725 -0.2424486 -1.2387264 -0.1042707 -0.0598997 -0.0607203 -0.9037230 22 Cl -0.9022058 0.2078234 0.0750725 0.2424486 -1.2387264 -0.1042707 0.0598997 -0.0607203 -0.9037230 23 Cl -0.9022058 -0.2078234 0.0750725 -0.2424486 -1.2387264 0.1042707 0.0598997 0.0607203 -0.9037230 24 Cl -0.9022058 -0.2078234 -0.0750725 -0.2424486 -1.2387264 -0.1042707 -0.0598997 -0.0607203 -0.9037230 25 Cl -0.9022058 0.2078234 0.0750725 0.2424486 -1.2387264 -0.1042707 0.0598997 -0.0607203 -0.9037230 26 Cl -0.7387488 0.0000000 -0.0024923 0.0000000 -0.7393970 0.0000000 -0.0042185 0.0000000 -1.5348234 27 Cl -1.3140859 0.0000000 -0.1110263 0.0000000 -0.7666286 0.0000000 -0.0661903 0.0000000 -0.9045003 28 Cl -0.9022058 0.2078234 -0.0750725 0.2424486 -1.2387264 0.1042707 -0.0598997 0.0607203 -0.9037230 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.067 Solver_block: 200 / 480 - Time: 3.058 Solver_block: 300 / 480 - Time: 3.059 Solver_block: 400 / 480 - Time: 3.061 Solver_block: 480 / 480 - Time: 2.474 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.791 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), 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 20:19:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:19:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.675124739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.049643780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.338265410000000 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 3 Na 0.77107149826554 0.75000000000000 0.49106824109424 22.990 4 Na 0.72892850173446 0.25000000000000 0.99106824109424 22.990 5 Na 0.27107149826554 0.75000000000000 0.00893175890576 22.990 6 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 7 Na 0.22892850173446 0.25000000000000 0.50893175890576 22.990 8 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 9 Zn 0.40766267076729 0.25000000000000 0.08869443597029 65.380 10 Zn 0.09233732923271 0.75000000000000 0.58869443597029 65.380 11 Zn 0.59233732923271 0.75000000000000 0.91130556402971 65.380 12 Zn 0.90766267076729 0.25000000000000 0.41130556402971 65.380 13 Cl 0.59250992239326 0.75000000000000 0.26358881095099 35.453 14 Cl 0.56100311693675 0.25000000000000 0.23155964102050 35.453 15 Cl 0.66619663618054 0.97294329679127 0.75927946861494 35.453 16 Cl 0.93899688306325 0.75000000000000 0.73155964102050 35.453 17 Cl 0.90749007760674 0.25000000000000 0.76358881095099 35.453 18 Cl 0.40749007760674 0.25000000000000 0.73641118904901 35.453 19 Cl 0.83380336381946 0.47294329679127 0.25927946861494 35.453 20 Cl 0.06100311693676 0.25000000000000 0.26844035897950 35.453 21 Cl 0.16619663618054 0.97294329679127 0.74072053138506 35.453 22 Cl 0.33380336381946 0.47294329679127 0.24072053138506 35.453 23 Cl 0.33380336381946 0.02705670320873 0.24072053138506 35.453 24 Cl 0.83380336381946 0.02705670320873 0.25927946861494 35.453 25 Cl 0.66619663618054 0.52705670320873 0.75927946861494 35.453 26 Cl 0.09250992239326 0.75000000000000 0.23641118904901 35.453 27 Cl 0.43899688306325 0.75000000000000 0.76844035897950 35.453 28 Cl 0.16619663618054 0.52705670320873 0.74072053138506 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.675124739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.099287560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.676530820000000 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 1 2 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 1 3 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 1 5 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 5 6 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 5 7 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 5 8 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 5 9 Na 0.77107149826554 0.37500000000000 0.24553412054712 22.990 > 9 10 Na 0.77107149826554 0.87500000000000 0.24553412054712 22.990 > 9 11 Na 0.77107149826554 0.37500000000000 0.74553412054712 22.990 > 9 12 Na 0.77107149826554 0.87500000000000 0.74553412054712 22.990 > 9 13 Na 0.72892850173446 0.12500000000000 0.49553412054712 22.990 > 13 14 Na 0.72892850173446 0.62500000000000 0.49553412054712 22.990 > 13 15 Na 0.72892850173446 0.12500000000000 0.99553412054712 22.990 > 13 16 Na 0.72892850173446 0.62500000000000 0.99553412054712 22.990 > 13 17 Na 0.27107149826554 0.37500000000000 0.00446587945288 22.990 > 17 18 Na 0.27107149826554 0.87500000000000 0.00446587945288 22.990 > 17 19 Na 0.27107149826554 0.37500000000000 0.50446587945288 22.990 > 17 20 Na 0.27107149826554 0.87500000000000 0.50446587945288 22.990 > 17 21 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 21 22 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 21 23 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 21 24 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 21 25 Na 0.22892850173446 0.12500000000000 0.25446587945288 22.990 > 25 26 Na 0.22892850173446 0.62500000000000 0.25446587945288 22.990 > 25 27 Na 0.22892850173446 0.12500000000000 0.75446587945288 22.990 > 25 28 Na 0.22892850173446 0.62500000000000 0.75446587945288 22.990 > 25 29 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 29 30 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 29 31 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 29 32 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 29 33 Zn 0.40766267076729 0.12500000000000 0.04434721798514 65.380 > 33 34 Zn 0.40766267076729 0.62500000000000 0.04434721798514 65.380 > 33 35 Zn 0.40766267076729 0.12500000000000 0.54434721798514 65.380 > 33 36 Zn 0.40766267076729 0.62500000000000 0.54434721798514 65.380 > 33 37 Zn 0.09233732923271 0.37500000000000 0.29434721798514 65.380 > 37 38 Zn 0.09233732923271 0.87500000000000 0.29434721798514 65.380 > 37 39 Zn 0.09233732923271 0.37500000000000 0.79434721798514 65.380 > 37 40 Zn 0.09233732923271 0.87500000000000 0.79434721798514 65.380 > 37 41 Zn 0.59233732923271 0.37500000000000 0.45565278201486 65.380 > 41 42 Zn 0.59233732923271 0.87500000000000 0.45565278201486 65.380 > 41 43 Zn 0.59233732923271 0.37500000000000 0.95565278201486 65.380 > 41 44 Zn 0.59233732923271 0.87500000000000 0.95565278201486 65.380 > 41 45 Zn 0.90766267076729 0.12500000000000 0.20565278201486 65.380 > 45 46 Zn 0.90766267076729 0.62500000000000 0.20565278201486 65.380 > 45 47 Zn 0.90766267076729 0.12500000000000 0.70565278201486 65.380 > 45 48 Zn 0.90766267076729 0.62500000000000 0.70565278201486 65.380 > 45 49 Cl 0.59250992239326 0.37500000000000 0.13179440547550 35.453 > 49 50 Cl 0.59250992239326 0.87500000000000 0.13179440547550 35.453 > 49 51 Cl 0.59250992239326 0.37500000000000 0.63179440547550 35.453 > 49 52 Cl 0.59250992239326 0.87500000000000 0.63179440547550 35.453 > 49 53 Cl 0.56100311693675 0.12500000000000 0.11577982051025 35.453 > 53 54 Cl 0.56100311693675 0.62500000000000 0.11577982051025 35.453 > 53 55 Cl 0.56100311693675 0.12500000000000 0.61577982051025 35.453 > 53 56 Cl 0.56100311693675 0.62500000000000 0.61577982051025 35.453 > 53 57 Cl 0.66619663618054 0.48647164839564 0.37963973430747 35.453 > 57 58 Cl 0.66619663618054 0.98647164839564 0.37963973430747 35.453 > 57 59 Cl 0.66619663618054 0.48647164839564 0.87963973430747 35.453 > 57 60 Cl 0.66619663618054 0.98647164839564 0.87963973430747 35.453 > 57 61 Cl 0.93899688306325 0.37500000000000 0.36577982051025 35.453 > 61 62 Cl 0.93899688306325 0.87500000000000 0.36577982051025 35.453 > 61 63 Cl 0.93899688306325 0.37500000000000 0.86577982051025 35.453 > 61 64 Cl 0.93899688306325 0.87500000000000 0.86577982051025 35.453 > 61 65 Cl 0.90749007760674 0.12500000000000 0.38179440547550 35.453 > 65 66 Cl 0.90749007760674 0.62500000000000 0.38179440547550 35.453 > 65 67 Cl 0.90749007760674 0.12500000000000 0.88179440547550 35.453 > 65 68 Cl 0.90749007760674 0.62500000000000 0.88179440547550 35.453 > 65 69 Cl 0.40749007760674 0.12500000000000 0.36820559452450 35.453 > 69 70 Cl 0.40749007760674 0.62500000000000 0.36820559452450 35.453 > 69 71 Cl 0.40749007760674 0.12500000000000 0.86820559452450 35.453 > 69 72 Cl 0.40749007760674 0.62500000000000 0.86820559452450 35.453 > 69 73 Cl 0.83380336381946 0.23647164839564 0.12963973430747 35.453 > 73 74 Cl 0.83380336381946 0.73647164839564 0.12963973430747 35.453 > 73 75 Cl 0.83380336381946 0.23647164839564 0.62963973430747 35.453 > 73 76 Cl 0.83380336381946 0.73647164839564 0.62963973430747 35.453 > 73 77 Cl 0.06100311693676 0.12500000000000 0.13422017948975 35.453 > 77 78 Cl 0.06100311693676 0.62500000000000 0.13422017948975 35.453 > 77 79 Cl 0.06100311693676 0.12500000000000 0.63422017948975 35.453 > 77 80 Cl 0.06100311693676 0.62500000000000 0.63422017948975 35.453 > 77 81 Cl 0.16619663618054 0.48647164839564 0.37036026569253 35.453 > 81 82 Cl 0.16619663618054 0.98647164839564 0.37036026569253 35.453 > 81 83 Cl 0.16619663618054 0.48647164839564 0.87036026569253 35.453 > 81 84 Cl 0.16619663618054 0.98647164839564 0.87036026569253 35.453 > 81 85 Cl 0.33380336381946 0.23647164839564 0.12036026569253 35.453 > 85 86 Cl 0.33380336381946 0.73647164839564 0.12036026569253 35.453 > 85 87 Cl 0.33380336381946 0.23647164839564 0.62036026569253 35.453 > 85 88 Cl 0.33380336381946 0.73647164839564 0.62036026569253 35.453 > 85 89 Cl 0.33380336381946 0.01352835160436 0.12036026569253 35.453 > 89 90 Cl 0.33380336381946 0.51352835160436 0.12036026569253 35.453 > 89 91 Cl 0.33380336381946 0.01352835160436 0.62036026569253 35.453 > 89 92 Cl 0.33380336381946 0.51352835160436 0.62036026569253 35.453 > 89 93 Cl 0.83380336381946 0.01352835160436 0.12963973430747 35.453 > 93 94 Cl 0.83380336381946 0.51352835160436 0.12963973430747 35.453 > 93 95 Cl 0.83380336381946 0.01352835160436 0.62963973430747 35.453 > 93 96 Cl 0.83380336381946 0.51352835160436 0.62963973430747 35.453 > 93 97 Cl 0.66619663618054 0.26352835160436 0.37963973430747 35.453 > 97 98 Cl 0.66619663618054 0.76352835160436 0.37963973430747 35.453 > 97 99 Cl 0.66619663618054 0.26352835160436 0.87963973430747 35.453 > 97 100 Cl 0.66619663618054 0.76352835160436 0.87963973430747 35.453 > 97 101 Cl 0.09250992239326 0.37500000000000 0.11820559452450 35.453 > 101 102 Cl 0.09250992239326 0.87500000000000 0.11820559452450 35.453 > 101 103 Cl 0.09250992239326 0.37500000000000 0.61820559452450 35.453 > 101 104 Cl 0.09250992239326 0.87500000000000 0.61820559452450 35.453 > 101 105 Cl 0.43899688306325 0.37500000000000 0.38422017948975 35.453 > 105 106 Cl 0.43899688306325 0.87500000000000 0.38422017948975 35.453 > 105 107 Cl 0.43899688306325 0.37500000000000 0.88422017948975 35.453 > 105 108 Cl 0.43899688306325 0.87500000000000 0.88422017948975 35.453 > 105 109 Cl 0.16619663618054 0.26352835160436 0.37036026569253 35.453 > 109 110 Cl 0.16619663618054 0.76352835160436 0.37036026569253 35.453 > 109 111 Cl 0.16619663618054 0.26352835160436 0.87036026569253 35.453 > 109 112 Cl 0.16619663618054 0.76352835160436 0.87036026569253 35.453 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5748048 0.0000000 0.0000000 0.0000000 2.5864188 0.0000000 0.0000000 0.0000000 2.6872311 -------------------------- Born effective charges -------------------------- 1 Na 0.9494326 -0.1879023 0.0582242 -0.1502699 1.1052182 -0.1014585 -0.0225538 0.0215735 1.2000606 2 Na 0.9494326 0.1879023 0.0582242 0.1502699 1.1052182 0.1014585 -0.0225538 -0.0215735 1.2000606 3 Na 1.2659101 0.0000000 -0.0397388 0.0000000 1.1450034 0.0000000 0.0311059 0.0000000 1.0692103 4 Na 1.2659101 0.0000000 0.0397388 0.0000000 1.1450034 0.0000000 -0.0311059 0.0000000 1.0692103 5 Na 1.2659101 0.0000000 0.0397388 0.0000000 1.1450034 0.0000000 -0.0311059 0.0000000 1.0692103 6 Na 0.9494326 -0.1879023 -0.0582242 -0.1502699 1.1052182 0.1014585 0.0225538 -0.0215735 1.2000606 7 Na 1.2659101 0.0000000 -0.0397388 0.0000000 1.1450034 0.0000000 0.0311059 0.0000000 1.0692103 8 Na 0.9494326 0.1879023 -0.0582242 0.1502699 1.1052182 -0.1014585 0.0225538 0.0215735 1.2000606 9 Zn 1.6419035 0.0000000 -0.0066566 0.0000000 1.7332568 0.0000000 -0.0123352 0.0000000 1.9774988 10 Zn 1.6419035 0.0000000 0.0066566 0.0000000 1.7332568 0.0000000 0.0123352 0.0000000 1.9774988 11 Zn 1.6419035 0.0000000 -0.0066566 0.0000000 1.7332568 0.0000000 -0.0123352 0.0000000 1.9774988 12 Zn 1.6419035 0.0000000 0.0066566 0.0000000 1.7332568 0.0000000 0.0123352 0.0000000 1.9774988 13 Cl -0.7387488 0.0000000 0.0024923 0.0000000 -0.7393970 0.0000000 0.0042185 0.0000000 -1.5348234 14 Cl -1.3140859 0.0000000 -0.1110263 0.0000000 -0.7666286 0.0000000 -0.0661903 0.0000000 -0.9045003 15 Cl -0.9022058 -0.2078234 0.0750725 -0.2424486 -1.2387264 0.1042707 0.0598997 0.0607203 -0.9037230 16 Cl -1.3140859 0.0000000 0.1110263 0.0000000 -0.7666286 0.0000000 0.0661903 0.0000000 -0.9045003 17 Cl -0.7387488 0.0000000 -0.0024923 0.0000000 -0.7393970 0.0000000 -0.0042185 0.0000000 -1.5348234 18 Cl -0.7387488 0.0000000 0.0024923 0.0000000 -0.7393970 0.0000000 0.0042185 0.0000000 -1.5348234 19 Cl -0.9022058 0.2078234 -0.0750725 0.2424486 -1.2387264 0.1042707 -0.0598997 0.0607203 -0.9037230 20 Cl -1.3140859 0.0000000 0.1110263 0.0000000 -0.7666286 0.0000000 0.0661903 0.0000000 -0.9045003 21 Cl -0.9022058 -0.2078234 -0.0750725 -0.2424486 -1.2387264 -0.1042707 -0.0598997 -0.0607203 -0.9037230 22 Cl -0.9022058 0.2078234 0.0750725 0.2424486 -1.2387264 -0.1042707 0.0598997 -0.0607203 -0.9037230 23 Cl -0.9022058 -0.2078234 0.0750725 -0.2424486 -1.2387264 0.1042707 0.0598997 0.0607203 -0.9037230 24 Cl -0.9022058 -0.2078234 -0.0750725 -0.2424486 -1.2387264 -0.1042707 -0.0598997 -0.0607203 -0.9037230 25 Cl -0.9022058 0.2078234 0.0750725 0.2424486 -1.2387264 -0.1042707 0.0598997 -0.0607203 -0.9037230 26 Cl -0.7387488 0.0000000 -0.0024923 0.0000000 -0.7393970 0.0000000 -0.0042185 0.0000000 -1.5348234 27 Cl -1.3140859 0.0000000 -0.1110263 0.0000000 -0.7666286 0.0000000 -0.0661903 0.0000000 -0.9045003 28 Cl -0.9022058 0.2078234 -0.0750725 0.2424486 -1.2387264 0.1042707 -0.0598997 0.0607203 -0.9037230 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, 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[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) 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 20:20:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:20:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.675124739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.049643780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.338265410000000 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 3 Na 0.77107149826554 0.75000000000000 0.49106824109424 22.990 4 Na 0.72892850173446 0.25000000000000 0.99106824109424 22.990 5 Na 0.27107149826554 0.75000000000000 0.00893175890576 22.990 6 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 7 Na 0.22892850173446 0.25000000000000 0.50893175890576 22.990 8 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 9 Zn 0.40766267076729 0.25000000000000 0.08869443597029 65.380 10 Zn 0.09233732923271 0.75000000000000 0.58869443597029 65.380 11 Zn 0.59233732923271 0.75000000000000 0.91130556402971 65.380 12 Zn 0.90766267076729 0.25000000000000 0.41130556402971 65.380 13 Cl 0.59250992239326 0.75000000000000 0.26358881095099 35.453 14 Cl 0.56100311693675 0.25000000000000 0.23155964102050 35.453 15 Cl 0.66619663618054 0.97294329679127 0.75927946861494 35.453 16 Cl 0.93899688306325 0.75000000000000 0.73155964102050 35.453 17 Cl 0.90749007760674 0.25000000000000 0.76358881095099 35.453 18 Cl 0.40749007760674 0.25000000000000 0.73641118904901 35.453 19 Cl 0.83380336381946 0.47294329679127 0.25927946861494 35.453 20 Cl 0.06100311693676 0.25000000000000 0.26844035897950 35.453 21 Cl 0.16619663618054 0.97294329679127 0.74072053138506 35.453 22 Cl 0.33380336381946 0.47294329679127 0.24072053138506 35.453 23 Cl 0.33380336381946 0.02705670320873 0.24072053138506 35.453 24 Cl 0.83380336381946 0.02705670320873 0.25927946861494 35.453 25 Cl 0.66619663618054 0.52705670320873 0.75927946861494 35.453 26 Cl 0.09250992239326 0.75000000000000 0.23641118904901 35.453 27 Cl 0.43899688306325 0.75000000000000 0.76844035897950 35.453 28 Cl 0.16619663618054 0.52705670320873 0.74072053138506 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.675124739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.099287560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.676530820000000 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 1 2 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 1 3 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 1 5 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 5 6 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 5 7 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 5 8 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 5 9 Na 0.77107149826554 0.37500000000000 0.24553412054712 22.990 > 9 10 Na 0.77107149826554 0.87500000000000 0.24553412054712 22.990 > 9 11 Na 0.77107149826554 0.37500000000000 0.74553412054712 22.990 > 9 12 Na 0.77107149826554 0.87500000000000 0.74553412054712 22.990 > 9 13 Na 0.72892850173446 0.12500000000000 0.49553412054712 22.990 > 13 14 Na 0.72892850173446 0.62500000000000 0.49553412054712 22.990 > 13 15 Na 0.72892850173446 0.12500000000000 0.99553412054712 22.990 > 13 16 Na 0.72892850173446 0.62500000000000 0.99553412054712 22.990 > 13 17 Na 0.27107149826554 0.37500000000000 0.00446587945288 22.990 > 17 18 Na 0.27107149826554 0.87500000000000 0.00446587945288 22.990 > 17 19 Na 0.27107149826554 0.37500000000000 0.50446587945288 22.990 > 17 20 Na 0.27107149826554 0.87500000000000 0.50446587945288 22.990 > 17 21 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 21 22 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 21 23 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 21 24 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 21 25 Na 0.22892850173446 0.12500000000000 0.25446587945288 22.990 > 25 26 Na 0.22892850173446 0.62500000000000 0.25446587945288 22.990 > 25 27 Na 0.22892850173446 0.12500000000000 0.75446587945288 22.990 > 25 28 Na 0.22892850173446 0.62500000000000 0.75446587945288 22.990 > 25 29 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 29 30 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 29 31 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 29 32 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 29 33 Zn 0.40766267076729 0.12500000000000 0.04434721798514 65.380 > 33 34 Zn 0.40766267076729 0.62500000000000 0.04434721798514 65.380 > 33 35 Zn 0.40766267076729 0.12500000000000 0.54434721798514 65.380 > 33 36 Zn 0.40766267076729 0.62500000000000 0.54434721798514 65.380 > 33 37 Zn 0.09233732923271 0.37500000000000 0.29434721798514 65.380 > 37 38 Zn 0.09233732923271 0.87500000000000 0.29434721798514 65.380 > 37 39 Zn 0.09233732923271 0.37500000000000 0.79434721798514 65.380 > 37 40 Zn 0.09233732923271 0.87500000000000 0.79434721798514 65.380 > 37 41 Zn 0.59233732923271 0.37500000000000 0.45565278201486 65.380 > 41 42 Zn 0.59233732923271 0.87500000000000 0.45565278201486 65.380 > 41 43 Zn 0.59233732923271 0.37500000000000 0.95565278201486 65.380 > 41 44 Zn 0.59233732923271 0.87500000000000 0.95565278201486 65.380 > 41 45 Zn 0.90766267076729 0.12500000000000 0.20565278201486 65.380 > 45 46 Zn 0.90766267076729 0.62500000000000 0.20565278201486 65.380 > 45 47 Zn 0.90766267076729 0.12500000000000 0.70565278201486 65.380 > 45 48 Zn 0.90766267076729 0.62500000000000 0.70565278201486 65.380 > 45 49 Cl 0.59250992239326 0.37500000000000 0.13179440547550 35.453 > 49 50 Cl 0.59250992239326 0.87500000000000 0.13179440547550 35.453 > 49 51 Cl 0.59250992239326 0.37500000000000 0.63179440547550 35.453 > 49 52 Cl 0.59250992239326 0.87500000000000 0.63179440547550 35.453 > 49 53 Cl 0.56100311693675 0.12500000000000 0.11577982051025 35.453 > 53 54 Cl 0.56100311693675 0.62500000000000 0.11577982051025 35.453 > 53 55 Cl 0.56100311693675 0.12500000000000 0.61577982051025 35.453 > 53 56 Cl 0.56100311693675 0.62500000000000 0.61577982051025 35.453 > 53 57 Cl 0.66619663618054 0.48647164839564 0.37963973430747 35.453 > 57 58 Cl 0.66619663618054 0.98647164839564 0.37963973430747 35.453 > 57 59 Cl 0.66619663618054 0.48647164839564 0.87963973430747 35.453 > 57 60 Cl 0.66619663618054 0.98647164839564 0.87963973430747 35.453 > 57 61 Cl 0.93899688306325 0.37500000000000 0.36577982051025 35.453 > 61 62 Cl 0.93899688306325 0.87500000000000 0.36577982051025 35.453 > 61 63 Cl 0.93899688306325 0.37500000000000 0.86577982051025 35.453 > 61 64 Cl 0.93899688306325 0.87500000000000 0.86577982051025 35.453 > 61 65 Cl 0.90749007760674 0.12500000000000 0.38179440547550 35.453 > 65 66 Cl 0.90749007760674 0.62500000000000 0.38179440547550 35.453 > 65 67 Cl 0.90749007760674 0.12500000000000 0.88179440547550 35.453 > 65 68 Cl 0.90749007760674 0.62500000000000 0.88179440547550 35.453 > 65 69 Cl 0.40749007760674 0.12500000000000 0.36820559452450 35.453 > 69 70 Cl 0.40749007760674 0.62500000000000 0.36820559452450 35.453 > 69 71 Cl 0.40749007760674 0.12500000000000 0.86820559452450 35.453 > 69 72 Cl 0.40749007760674 0.62500000000000 0.86820559452450 35.453 > 69 73 Cl 0.83380336381946 0.23647164839564 0.12963973430747 35.453 > 73 74 Cl 0.83380336381946 0.73647164839564 0.12963973430747 35.453 > 73 75 Cl 0.83380336381946 0.23647164839564 0.62963973430747 35.453 > 73 76 Cl 0.83380336381946 0.73647164839564 0.62963973430747 35.453 > 73 77 Cl 0.06100311693676 0.12500000000000 0.13422017948975 35.453 > 77 78 Cl 0.06100311693676 0.62500000000000 0.13422017948975 35.453 > 77 79 Cl 0.06100311693676 0.12500000000000 0.63422017948975 35.453 > 77 80 Cl 0.06100311693676 0.62500000000000 0.63422017948975 35.453 > 77 81 Cl 0.16619663618054 0.48647164839564 0.37036026569253 35.453 > 81 82 Cl 0.16619663618054 0.98647164839564 0.37036026569253 35.453 > 81 83 Cl 0.16619663618054 0.48647164839564 0.87036026569253 35.453 > 81 84 Cl 0.16619663618054 0.98647164839564 0.87036026569253 35.453 > 81 85 Cl 0.33380336381946 0.23647164839564 0.12036026569253 35.453 > 85 86 Cl 0.33380336381946 0.73647164839564 0.12036026569253 35.453 > 85 87 Cl 0.33380336381946 0.23647164839564 0.62036026569253 35.453 > 85 88 Cl 0.33380336381946 0.73647164839564 0.62036026569253 35.453 > 85 89 Cl 0.33380336381946 0.01352835160436 0.12036026569253 35.453 > 89 90 Cl 0.33380336381946 0.51352835160436 0.12036026569253 35.453 > 89 91 Cl 0.33380336381946 0.01352835160436 0.62036026569253 35.453 > 89 92 Cl 0.33380336381946 0.51352835160436 0.62036026569253 35.453 > 89 93 Cl 0.83380336381946 0.01352835160436 0.12963973430747 35.453 > 93 94 Cl 0.83380336381946 0.51352835160436 0.12963973430747 35.453 > 93 95 Cl 0.83380336381946 0.01352835160436 0.62963973430747 35.453 > 93 96 Cl 0.83380336381946 0.51352835160436 0.62963973430747 35.453 > 93 97 Cl 0.66619663618054 0.26352835160436 0.37963973430747 35.453 > 97 98 Cl 0.66619663618054 0.76352835160436 0.37963973430747 35.453 > 97 99 Cl 0.66619663618054 0.26352835160436 0.87963973430747 35.453 > 97 100 Cl 0.66619663618054 0.76352835160436 0.87963973430747 35.453 > 97 101 Cl 0.09250992239326 0.37500000000000 0.11820559452450 35.453 > 101 102 Cl 0.09250992239326 0.87500000000000 0.11820559452450 35.453 > 101 103 Cl 0.09250992239326 0.37500000000000 0.61820559452450 35.453 > 101 104 Cl 0.09250992239326 0.87500000000000 0.61820559452450 35.453 > 101 105 Cl 0.43899688306325 0.37500000000000 0.38422017948975 35.453 > 105 106 Cl 0.43899688306325 0.87500000000000 0.38422017948975 35.453 > 105 107 Cl 0.43899688306325 0.37500000000000 0.88422017948975 35.453 > 105 108 Cl 0.43899688306325 0.87500000000000 0.88422017948975 35.453 > 105 109 Cl 0.16619663618054 0.26352835160436 0.37036026569253 35.453 > 109 110 Cl 0.16619663618054 0.76352835160436 0.37036026569253 35.453 > 109 111 Cl 0.16619663618054 0.26352835160436 0.87036026569253 35.453 > 109 112 Cl 0.16619663618054 0.76352835160436 0.87036026569253 35.453 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5748048 0.0000000 0.0000000 0.0000000 2.5864188 0.0000000 0.0000000 0.0000000 2.6872311 -------------------------- Born effective charges -------------------------- 1 Na 0.9494326 -0.1879023 0.0582242 -0.1502699 1.1052182 -0.1014585 -0.0225538 0.0215735 1.2000606 2 Na 0.9494326 0.1879023 0.0582242 0.1502699 1.1052182 0.1014585 -0.0225538 -0.0215735 1.2000606 3 Na 1.2659101 0.0000000 -0.0397388 0.0000000 1.1450034 0.0000000 0.0311059 0.0000000 1.0692103 4 Na 1.2659101 0.0000000 0.0397388 0.0000000 1.1450034 0.0000000 -0.0311059 0.0000000 1.0692103 5 Na 1.2659101 0.0000000 0.0397388 0.0000000 1.1450034 0.0000000 -0.0311059 0.0000000 1.0692103 6 Na 0.9494326 -0.1879023 -0.0582242 -0.1502699 1.1052182 0.1014585 0.0225538 -0.0215735 1.2000606 7 Na 1.2659101 0.0000000 -0.0397388 0.0000000 1.1450034 0.0000000 0.0311059 0.0000000 1.0692103 8 Na 0.9494326 0.1879023 -0.0582242 0.1502699 1.1052182 -0.1014585 0.0225538 0.0215735 1.2000606 9 Zn 1.6419035 0.0000000 -0.0066566 0.0000000 1.7332568 0.0000000 -0.0123352 0.0000000 1.9774988 10 Zn 1.6419035 0.0000000 0.0066566 0.0000000 1.7332568 0.0000000 0.0123352 0.0000000 1.9774988 11 Zn 1.6419035 0.0000000 -0.0066566 0.0000000 1.7332568 0.0000000 -0.0123352 0.0000000 1.9774988 12 Zn 1.6419035 0.0000000 0.0066566 0.0000000 1.7332568 0.0000000 0.0123352 0.0000000 1.9774988 13 Cl -0.7387488 0.0000000 0.0024923 0.0000000 -0.7393970 0.0000000 0.0042185 0.0000000 -1.5348234 14 Cl -1.3140859 0.0000000 -0.1110263 0.0000000 -0.7666286 0.0000000 -0.0661903 0.0000000 -0.9045003 15 Cl -0.9022058 -0.2078234 0.0750725 -0.2424486 -1.2387264 0.1042707 0.0598997 0.0607203 -0.9037230 16 Cl -1.3140859 0.0000000 0.1110263 0.0000000 -0.7666286 0.0000000 0.0661903 0.0000000 -0.9045003 17 Cl -0.7387488 0.0000000 -0.0024923 0.0000000 -0.7393970 0.0000000 -0.0042185 0.0000000 -1.5348234 18 Cl -0.7387488 0.0000000 0.0024923 0.0000000 -0.7393970 0.0000000 0.0042185 0.0000000 -1.5348234 19 Cl -0.9022058 0.2078234 -0.0750725 0.2424486 -1.2387264 0.1042707 -0.0598997 0.0607203 -0.9037230 20 Cl -1.3140859 0.0000000 0.1110263 0.0000000 -0.7666286 0.0000000 0.0661903 0.0000000 -0.9045003 21 Cl -0.9022058 -0.2078234 -0.0750725 -0.2424486 -1.2387264 -0.1042707 -0.0598997 -0.0607203 -0.9037230 22 Cl -0.9022058 0.2078234 0.0750725 0.2424486 -1.2387264 -0.1042707 0.0598997 -0.0607203 -0.9037230 23 Cl -0.9022058 -0.2078234 0.0750725 -0.2424486 -1.2387264 0.1042707 0.0598997 0.0607203 -0.9037230 24 Cl -0.9022058 -0.2078234 -0.0750725 -0.2424486 -1.2387264 -0.1042707 -0.0598997 -0.0607203 -0.9037230 25 Cl -0.9022058 0.2078234 0.0750725 0.2424486 -1.2387264 -0.1042707 0.0598997 -0.0607203 -0.9037230 26 Cl -0.7387488 0.0000000 -0.0024923 0.0000000 -0.7393970 0.0000000 -0.0042185 0.0000000 -1.5348234 27 Cl -1.3140859 0.0000000 -0.1110263 0.0000000 -0.7666286 0.0000000 -0.0661903 0.0000000 -0.9045003 28 Cl -0.9022058 0.2078234 -0.0750725 0.2424486 -1.2387264 0.1042707 -0.0598997 0.0607203 -0.9037230 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) 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 ... [ 4 6 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 291, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 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 0.908 ( 0.000 0.000 0.000) 0.000 1.208 ( 0.000 0.000 0.000) 0.000 1.259 ( 0.000 0.000 0.000) 0.000 1.306 ( 0.000 0.000 0.000) 0.000 1.474 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.802 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.265 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.053 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.425 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.690 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 6.112 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 7.891 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 8.011 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 8.307 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 0.000 0.000) 0.000 8.336 ( 0.000 0.000 0.000) 0.000 8.355 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.869 ( 0.000 0.000 0.000) 0.000 9.112 ( 0.000 0.000 0.000) 0.000 9.134 ( 0.000 0.000 0.000) 0.000 9.189 ( 0.000 0.000 0.000) 0.000 9.220 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 16.094 0.000 0.000) 16.094 0.350 ( 18.996 0.000 0.000) 18.996 0.545 ( 28.838 0.000 0.000) 28.838 0.809 ( -9.985 0.000 0.000) 9.985 1.017 ( -15.915 0.000 0.000) 15.915 1.257 ( 3.323 0.000 0.000) 3.323 1.440 ( 9.755 0.000 0.000) 9.755 1.441 ( -3.537 0.000 0.000) 3.537 1.452 ( -17.808 0.000 0.000) 17.808 1.602 ( 2.425 0.000 0.000) 2.425 1.680 ( -2.120 0.000 0.000) 2.120 1.756 ( -5.142 0.000 0.000) 5.142 1.784 ( 11.887 0.000 0.000) 11.887 2.065 ( 1.011 0.000 0.000) 1.011 2.124 ( -2.967 0.000 0.000) 2.967 2.143 ( -4.069 0.000 0.000) 4.069 2.326 ( 6.449 0.000 0.000) 6.449 2.353 ( 5.352 0.000 0.000) 5.352 2.457 ( -0.494 0.000 0.000) 0.494 2.528 ( -4.743 0.000 0.000) 4.743 2.583 ( 5.699 0.000 0.000) 5.699 2.617 ( -4.763 0.000 0.000) 4.763 2.736 ( -7.336 0.000 0.000) 7.336 2.798 ( -4.296 0.000 0.000) 4.296 2.856 ( 1.481 0.000 0.000) 1.481 2.916 ( 0.398 0.000 0.000) 0.398 2.983 ( 2.018 0.000 0.000) 2.018 3.050 ( -0.420 0.000 0.000) 0.420 3.084 ( 2.544 0.000 0.000) 2.544 3.143 ( -1.670 0.000 0.000) 1.670 3.161 ( 5.469 0.000 0.000) 5.469 3.240 ( -6.493 0.000 0.000) 6.493 3.352 ( 6.297 0.000 0.000) 6.297 3.408 ( -3.187 0.000 0.000) 3.187 3.549 ( -2.122 0.000 0.000) 2.122 3.669 ( 5.202 0.000 0.000) 5.202 3.748 ( 3.992 0.000 0.000) 3.992 3.757 ( -6.689 0.000 0.000) 6.689 3.871 ( 2.448 0.000 0.000) 2.448 4.025 ( 6.722 0.000 0.000) 6.722 4.194 ( -8.585 0.000 0.000) 8.585 4.350 ( -8.481 0.000 0.000) 8.481 4.396 ( 3.802 0.000 0.000) 3.802 4.408 ( 7.113 0.000 0.000) 7.113 4.532 ( -0.846 0.000 0.000) 0.846 4.614 ( -0.430 0.000 0.000) 0.430 4.663 ( -1.259 0.000 0.000) 1.259 4.692 ( -1.590 0.000 0.000) 1.590 4.773 ( 0.693 0.000 0.000) 0.693 4.793 ( -0.073 0.000 0.000) 0.073 4.794 ( 0.441 0.000 0.000) 0.441 4.837 ( -1.044 0.000 0.000) 1.044 4.871 ( -0.257 0.000 0.000) 0.257 4.871 ( -2.197 0.000 0.000) 2.197 4.888 ( 2.566 0.000 0.000) 2.566 4.975 ( -1.543 0.000 0.000) 1.543 5.044 ( 3.503 0.000 0.000) 3.503 5.086 ( 2.831 0.000 0.000) 2.831 5.272 ( 3.353 0.000 0.000) 3.353 5.360 ( -1.294 0.000 0.000) 1.294 5.399 ( -2.147 0.000 0.000) 2.147 5.402 ( -2.179 0.000 0.000) 2.179 5.691 ( 0.144 0.000 0.000) 0.144 5.698 ( -0.141 0.000 0.000) 0.141 5.891 ( -0.052 0.000 0.000) 0.052 5.898 ( -0.387 0.000 0.000) 0.387 6.244 ( 1.779 0.000 0.000) 1.779 6.317 ( -1.410 0.000 0.000) 1.410 7.901 ( 1.036 0.000 0.000) 1.036 7.948 ( -1.012 0.000 0.000) 1.012 8.014 ( 0.333 0.000 0.000) 0.333 8.032 ( -0.466 0.000 0.000) 0.466 8.282 ( 0.791 0.000 0.000) 0.791 8.313 ( 0.523 0.000 0.000) 0.523 8.315 ( -0.657 0.000 0.000) 0.657 8.330 ( 0.729 0.000 0.000) 0.729 8.332 ( -0.372 0.000 0.000) 0.372 8.371 ( -1.007 0.000 0.000) 1.007 8.882 ( 1.309 0.000 0.000) 1.309 8.942 ( -1.292 0.000 0.000) 1.292 9.115 ( 0.321 0.000 0.000) 0.321 9.130 ( -0.376 0.000 0.000) 0.376 9.196 ( 0.761 0.000 0.000) 0.761 9.226 ( -0.556 0.000 0.000) 0.556 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -14.293 0.000 0.000) 14.293 0.581 ( 14.293 0.000 0.000) 14.293 0.690 ( -17.864 0.000 0.000) 17.864 0.690 ( 17.864 0.000 0.000) 17.864 1.054 ( -24.815 0.000 0.000) 24.815 1.054 ( 24.815 0.000 0.000) 24.815 1.352 ( -5.806 0.000 0.000) 5.806 1.352 ( 5.806 0.000 0.000) 5.806 1.619 ( -9.293 0.000 0.000) 9.293 1.619 ( 9.293 0.000 0.000) 9.293 1.638 ( -2.104 0.000 0.000) 2.104 1.638 ( 2.104 0.000 0.000) 2.104 1.995 ( -9.118 0.000 0.000) 9.118 1.995 ( 9.118 0.000 0.000) 9.118 2.098 ( -0.570 0.000 0.000) 0.570 2.098 ( 0.570 0.000 0.000) 0.570 2.430 ( -2.763 0.000 0.000) 2.763 2.430 ( 2.763 0.000 0.000) 2.763 2.431 ( -5.263 0.000 0.000) 5.263 2.431 ( 5.263 0.000 0.000) 5.263 2.620 ( -4.824 0.000 0.000) 4.824 2.620 ( 4.824 0.000 0.000) 4.824 2.697 ( -6.308 0.000 0.000) 6.308 2.697 ( 6.308 0.000 0.000) 6.308 2.897 ( -2.403 0.000 0.000) 2.403 2.897 ( 2.403 0.000 0.000) 2.403 3.028 ( -2.244 0.000 0.000) 2.244 3.028 ( 2.244 0.000 0.000) 2.244 3.135 ( -3.619 0.000 0.000) 3.619 3.135 ( 3.619 0.000 0.000) 3.619 3.146 ( -2.641 0.000 0.000) 2.641 3.146 ( 2.641 0.000 0.000) 2.641 3.470 ( -5.991 0.000 0.000) 5.991 3.470 ( 5.991 0.000 0.000) 5.991 3.541 ( -12.720 0.000 0.000) 12.720 3.541 ( 12.720 0.000 0.000) 12.720 3.759 ( -2.413 0.000 0.000) 2.413 3.759 ( 2.413 0.000 0.000) 2.413 4.012 ( -10.378 0.000 0.000) 10.378 4.012 ( 10.378 0.000 0.000) 10.378 4.182 ( -9.546 0.000 0.000) 9.546 4.182 ( 9.546 0.000 0.000) 9.546 4.477 ( -4.415 0.000 0.000) 4.415 4.477 ( 4.415 0.000 0.000) 4.415 4.561 ( -8.246 0.000 0.000) 8.246 4.561 ( 8.246 0.000 0.000) 8.246 4.641 ( -0.512 0.000 0.000) 0.512 4.641 ( 0.512 0.000 0.000) 0.512 4.790 ( -0.441 0.000 0.000) 0.441 4.790 ( 0.441 0.000 0.000) 0.441 4.811 ( -1.600 0.000 0.000) 1.600 4.811 ( 1.600 0.000 0.000) 1.600 4.864 ( -0.437 0.000 0.000) 0.437 4.864 ( 0.437 0.000 0.000) 0.437 4.936 ( -2.541 0.000 0.000) 2.541 4.936 ( 2.541 0.000 0.000) 2.541 5.105 ( -1.708 0.000 0.000) 1.708 5.105 ( 1.708 0.000 0.000) 1.708 5.329 ( -2.446 0.000 0.000) 2.446 5.329 ( 2.446 0.000 0.000) 2.446 5.370 ( -0.245 0.000 0.000) 0.245 5.370 ( 0.245 0.000 0.000) 0.245 5.695 ( -0.202 0.000 0.000) 0.202 5.695 ( 0.202 0.000 0.000) 0.202 5.892 ( -0.205 0.000 0.000) 0.205 5.892 ( 0.205 0.000 0.000) 0.205 6.283 ( -2.196 0.000 0.000) 2.196 6.283 ( 2.196 0.000 0.000) 2.196 7.925 ( -1.446 0.000 0.000) 1.446 7.925 ( 1.446 0.000 0.000) 1.446 8.022 ( -0.551 0.000 0.000) 0.551 8.022 ( 0.551 0.000 0.000) 0.551 8.299 ( -1.010 0.000 0.000) 1.010 8.299 ( 1.010 0.000 0.000) 1.010 8.323 ( -0.572 0.000 0.000) 0.572 8.323 ( 0.572 0.000 0.000) 0.572 8.349 ( -1.275 0.000 0.000) 1.275 8.349 ( 1.275 0.000 0.000) 1.275 8.912 ( -1.805 0.000 0.000) 1.805 8.912 ( 1.805 0.000 0.000) 1.805 9.123 ( -0.424 0.000 0.000) 0.424 9.123 ( 0.424 0.000 0.000) 0.424 9.212 ( -0.883 0.000 0.000) 0.883 9.212 ( 0.883 0.000 0.000) 0.883 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.17 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 0.000 16.266 0.000) 16.266 0.384 ( 0.000 19.001 0.000) 19.001 0.656 ( 0.000 30.258 0.000) 30.258 0.976 ( 0.000 5.488 0.000) 5.488 1.215 ( 0.000 0.981 0.000) 0.981 1.280 ( 0.000 0.583 0.000) 0.583 1.287 ( 0.000 0.056 0.000) 0.056 1.463 ( 0.000 -6.349 0.000) 6.349 1.554 ( 0.000 2.680 0.000) 2.680 1.673 ( 0.000 2.961 0.000) 2.961 1.704 ( 0.000 1.664 0.000) 1.664 1.765 ( 0.000 7.051 0.000) 7.051 1.825 ( 0.000 1.482 0.000) 1.482 1.913 ( 0.000 -7.832 0.000) 7.832 2.055 ( 0.000 -9.881 0.000) 9.881 2.261 ( 0.000 5.570 0.000) 5.570 2.305 ( 0.000 6.397 0.000) 6.397 2.350 ( 0.000 -8.948 0.000) 8.948 2.413 ( 0.000 4.804 0.000) 4.804 2.442 ( 0.000 -0.967 0.000) 0.967 2.614 ( 0.000 -1.534 0.000) 1.534 2.738 ( 0.000 7.169 0.000) 7.169 2.807 ( 0.000 -0.968 0.000) 0.968 2.823 ( 0.000 -3.119 0.000) 3.119 2.965 ( 0.000 2.840 0.000) 2.840 3.002 ( 0.000 9.915 0.000) 9.915 3.008 ( 0.000 0.345 0.000) 0.345 3.044 ( 0.000 -1.043 0.000) 1.043 3.064 ( 0.000 2.389 0.000) 2.389 3.089 ( 0.000 8.189 0.000) 8.189 3.200 ( 0.000 2.638 0.000) 2.638 3.311 ( 0.000 3.186 0.000) 3.186 3.408 ( 0.000 -3.827 0.000) 3.827 3.461 ( 0.000 7.550 0.000) 7.550 3.610 ( 0.000 -0.225 0.000) 0.225 3.652 ( 0.000 -0.161 0.000) 0.161 3.660 ( 0.000 0.945 0.000) 0.945 3.736 ( 0.000 -3.334 0.000) 3.334 3.790 ( 0.000 -7.190 0.000) 7.190 3.869 ( 0.000 -3.407 0.000) 3.407 4.272 ( 0.000 -2.767 0.000) 2.767 4.292 ( 0.000 6.194 0.000) 6.194 4.349 ( 0.000 -9.540 0.000) 9.540 4.416 ( 0.000 4.214 0.000) 4.214 4.472 ( 0.000 -9.091 0.000) 9.091 4.590 ( 0.000 -0.210 0.000) 0.210 4.596 ( 0.000 -4.822 0.000) 4.822 4.651 ( 0.000 -2.019 0.000) 2.019 4.658 ( 0.000 -6.128 0.000) 6.128 4.756 ( 0.000 -2.085 0.000) 2.085 4.792 ( 0.000 -1.083 0.000) 1.083 4.800 ( 0.000 -0.004 0.000) 0.004 4.868 ( 0.000 -0.552 0.000) 0.552 4.907 ( 0.000 -1.909 0.000) 1.909 4.987 ( 0.000 -0.346 0.000) 0.346 5.042 ( 0.000 1.979 0.000) 1.979 5.088 ( 0.000 7.997 0.000) 7.997 5.088 ( 0.000 -2.385 0.000) 2.385 5.169 ( 0.000 -2.780 0.000) 2.780 5.272 ( 0.000 3.254 0.000) 3.254 5.391 ( 0.000 1.356 0.000) 1.356 5.399 ( 0.000 -2.137 0.000) 2.137 5.471 ( 0.000 -1.232 0.000) 1.232 5.615 ( 0.000 -5.011 0.000) 5.011 5.986 ( 0.000 5.598 0.000) 5.598 6.140 ( 0.000 2.461 0.000) 2.461 6.212 ( 0.000 -1.279 0.000) 1.279 6.359 ( 0.000 -1.048 0.000) 1.048 7.899 ( 0.000 0.815 0.000) 0.815 7.955 ( 0.000 -0.098 0.000) 0.098 8.011 ( 0.000 -0.084 0.000) 0.084 8.132 ( 0.000 -4.289 0.000) 4.289 8.275 ( 0.000 0.119 0.000) 0.119 8.306 ( 0.000 -0.178 0.000) 0.178 8.339 ( 0.000 0.265 0.000) 0.265 8.365 ( 0.000 1.659 0.000) 1.659 8.393 ( 0.000 3.288 0.000) 3.288 8.436 ( 0.000 6.114 0.000) 6.114 8.843 ( 0.000 -2.487 0.000) 2.487 8.895 ( 0.000 -2.596 0.000) 2.596 9.120 ( 0.000 0.687 0.000) 0.687 9.132 ( 0.000 -0.127 0.000) 0.127 9.180 ( 0.000 -0.730 0.000) 0.730 9.211 ( 0.000 -0.819 0.000) 0.819 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.17 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 8.552 11.182 0.000) 14.077 0.516 ( 12.363 13.780 0.000) 18.513 0.853 ( -11.119 3.870 0.000) 11.773 0.864 ( 18.118 22.422 0.000) 28.827 1.058 ( -13.587 3.999 0.000) 14.163 1.297 ( 2.749 3.759 0.000) 4.657 1.375 ( 4.846 -4.490 0.000) 6.607 1.440 ( -2.170 -5.993 0.000) 6.374 1.580 ( -1.117 4.302 0.000) 4.445 1.591 ( -11.362 10.203 0.000) 15.271 1.734 ( -0.401 2.799 0.000) 2.827 1.735 ( 6.970 -3.395 0.000) 7.753 1.815 ( -0.642 3.028 0.000) 3.096 1.938 ( 0.954 -7.864 0.000) 7.921 2.075 ( 0.989 -9.269 0.000) 9.322 2.181 ( -5.736 2.407 0.000) 6.221 2.284 ( -0.158 5.292 0.000) 5.294 2.367 ( -0.538 -4.162 0.000) 4.197 2.450 ( 1.363 -1.829 0.000) 2.281 2.495 ( 6.324 1.752 0.000) 6.562 2.579 ( -2.541 2.272 0.000) 3.409 2.726 ( -1.905 5.970 0.000) 6.267 2.738 ( -3.500 -0.282 0.000) 3.511 2.802 ( -1.600 1.259 0.000) 2.036 2.980 ( -0.823 5.186 0.000) 5.251 2.984 ( 0.041 5.042 0.000) 5.042 3.018 ( -1.824 6.221 0.000) 6.483 3.044 ( -0.449 0.257 0.000) 0.518 3.118 ( 7.807 -2.209 0.000) 8.114 3.155 ( 3.319 4.544 0.000) 5.626 3.166 ( -0.818 3.858 0.000) 3.943 3.334 ( -3.030 -0.307 0.000) 3.045 3.375 ( -7.741 5.807 0.000) 9.677 3.378 ( 4.741 2.050 0.000) 5.165 3.617 ( -0.858 2.619 0.000) 2.756 3.669 ( 3.157 -0.509 0.000) 3.198 3.721 ( -2.888 -3.240 0.000) 4.340 3.752 ( 3.027 -0.418 0.000) 3.056 3.840 ( 1.378 -2.408 0.000) 2.774 3.848 ( 5.926 -10.593 0.000) 12.138 4.181 ( -7.587 -1.718 0.000) 7.779 4.232 ( -8.973 -9.897 0.000) 13.359 4.406 ( 7.131 0.511 0.000) 7.149 4.450 ( 4.700 4.556 0.000) 6.546 4.539 ( 2.980 -6.982 0.000) 7.592 4.568 ( -3.890 -1.968 0.000) 4.360 4.597 ( -0.077 -4.258 0.000) 4.259 4.609 ( 1.303 -1.178 0.000) 1.757 4.747 ( 3.779 -3.139 0.000) 4.913 4.773 ( 2.315 -1.906 0.000) 2.998 4.787 ( -0.364 -0.816 0.000) 0.893 4.812 ( 1.735 -0.542 0.000) 1.817 4.854 ( -0.694 -0.932 0.000) 1.162 4.922 ( -2.560 3.342 0.000) 4.210 4.965 ( -1.914 -0.386 0.000) 1.953 5.002 ( -5.183 4.293 0.000) 6.730 5.023 ( 1.237 -5.558 0.000) 5.695 5.065 ( 0.116 2.467 0.000) 2.469 5.266 ( 2.979 -6.636 0.000) 7.274 5.306 ( 2.049 2.194 0.000) 3.002 5.378 ( -1.660 -1.609 0.000) 2.312 5.403 ( -0.152 0.909 0.000) 0.921 5.505 ( 3.988 -3.730 0.000) 5.460 5.606 ( -1.008 -5.147 0.000) 5.245 5.994 ( 1.008 6.119 0.000) 6.201 6.088 ( -4.115 6.024 0.000) 7.295 6.232 ( 2.004 -1.116 0.000) 2.294 6.326 ( -2.589 -0.139 0.000) 2.592 7.908 ( 0.906 0.720 0.000) 1.158 7.947 ( -0.806 0.074 0.000) 0.810 8.017 ( 0.646 0.019 0.000) 0.647 8.082 ( -3.414 -0.337 0.000) 3.431 8.286 ( 1.077 0.237 0.000) 1.103 8.315 ( 0.906 -0.079 0.000) 0.909 8.331 ( -0.829 0.355 0.000) 0.902 8.356 ( -0.925 0.995 0.000) 1.359 8.392 ( -0.053 4.067 0.000) 4.067 8.408 ( -1.440 6.886 0.000) 7.035 8.854 ( 1.129 -2.626 0.000) 2.858 8.898 ( -0.374 -3.365 0.000) 3.386 9.121 ( 0.125 0.545 0.000) 0.560 9.129 ( -0.253 -0.013 0.000) 0.253 9.187 ( 0.641 -0.829 0.000) 1.048 9.210 ( -0.270 -1.102 0.000) 1.134 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.17 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -12.587 4.462 0.000) 13.354 0.609 ( 12.587 4.462 0.000) 13.354 0.789 ( -14.457 8.463 0.000) 16.752 0.789 ( 14.457 8.463 0.000) 16.752 1.210 ( -17.118 12.493 0.000) 21.192 1.210 ( 17.118 12.493 0.000) 21.192 1.391 ( -2.724 -3.595 0.000) 4.510 1.391 ( 2.724 -3.595 0.000) 4.510 1.526 ( -3.515 3.709 0.000) 5.110 1.526 ( 3.515 3.709 0.000) 5.110 1.757 ( -2.324 3.477 0.000) 4.182 1.757 ( 2.324 3.477 0.000) 4.182 1.894 ( -5.873 -7.059 0.000) 9.182 1.894 ( 5.873 -7.059 0.000) 9.182 2.100 ( -2.709 -2.251 0.000) 3.522 2.100 ( 2.709 -2.251 0.000) 3.522 2.322 ( -3.464 -0.147 0.000) 3.467 2.322 ( 3.464 -0.147 0.000) 3.467 2.493 ( -3.335 -2.315 0.000) 4.060 2.493 ( 3.335 -2.315 0.000) 4.060 2.642 ( -5.959 5.103 0.000) 7.846 2.642 ( 5.959 5.103 0.000) 7.846 2.753 ( -2.747 3.200 0.000) 4.217 2.753 ( 2.747 3.200 0.000) 4.217 2.981 ( -0.296 4.148 0.000) 4.158 2.981 ( 0.296 4.148 0.000) 4.158 3.019 ( -1.732 2.785 0.000) 3.279 3.019 ( 1.732 2.785 0.000) 3.279 3.155 ( -0.621 2.342 0.000) 2.423 3.155 ( 0.621 2.342 0.000) 2.423 3.244 ( -5.788 6.886 0.000) 8.996 3.244 ( 5.788 6.886 0.000) 8.996 3.407 ( -4.740 -4.210 0.000) 6.340 3.407 ( 4.740 -4.210 0.000) 6.340 3.592 ( -1.499 2.829 0.000) 3.202 3.592 ( 1.499 2.829 0.000) 3.202 3.759 ( -1.939 0.206 0.000) 1.950 3.759 ( 1.939 0.206 0.000) 1.950 3.932 ( -2.994 -8.260 0.000) 8.786 3.932 ( 2.994 -8.260 0.000) 8.786 4.086 ( -3.283 -5.452 0.000) 6.364 4.086 ( 3.283 -5.452 0.000) 6.364 4.492 ( -4.136 -0.306 0.000) 4.147 4.492 ( 4.136 -0.306 0.000) 4.147 4.554 ( -2.131 -3.693 0.000) 4.264 4.554 ( 2.131 -3.693 0.000) 4.264 4.605 ( -1.884 0.542 0.000) 1.960 4.605 ( 1.884 0.542 0.000) 1.960 4.779 ( -0.724 -0.942 0.000) 1.188 4.779 ( 0.724 -0.942 0.000) 1.188 4.829 ( -3.099 -0.388 0.000) 3.123 4.829 ( 3.099 -0.388 0.000) 3.123 4.861 ( -2.376 0.086 0.000) 2.378 4.861 ( 2.376 0.086 0.000) 2.378 4.936 ( -0.185 0.566 0.000) 0.595 4.936 ( 0.185 0.566 0.000) 0.595 5.065 ( -1.131 -3.079 0.000) 3.280 5.065 ( 1.131 -3.079 0.000) 3.280 5.299 ( -1.803 -3.492 0.000) 3.930 5.299 ( 1.803 -3.492 0.000) 3.930 5.382 ( -1.582 1.780 0.000) 2.382 5.382 ( 1.582 1.780 0.000) 2.382 5.573 ( -2.774 -5.466 0.000) 6.130 5.573 ( 2.774 -5.466 0.000) 6.130 6.026 ( -2.512 7.005 0.000) 7.441 6.026 ( 2.512 7.005 0.000) 7.441 6.277 ( -2.739 -0.628 0.000) 2.810 6.277 ( 2.739 -0.628 0.000) 2.810 7.928 ( -1.208 0.435 0.000) 1.284 7.928 ( 1.208 0.435 0.000) 1.284 8.037 ( -1.623 0.306 0.000) 1.651 8.037 ( 1.623 0.306 0.000) 1.651 8.310 ( -1.394 0.400 0.000) 1.450 8.310 ( 1.394 0.400 0.000) 1.450 8.335 ( -1.232 0.246 0.000) 1.256 8.335 ( 1.232 0.246 0.000) 1.256 8.394 ( -0.313 5.394 0.000) 5.403 8.394 ( 0.313 5.394 0.000) 5.403 8.879 ( -1.415 -2.991 0.000) 3.309 8.879 ( 1.415 -2.991 0.000) 3.309 9.124 ( -0.252 0.240 0.000) 0.349 9.124 ( 0.252 0.240 0.000) 0.349 9.200 ( -0.710 -1.012 0.000) 1.237 9.200 ( 0.710 -1.012 0.000) 1.237 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.000 15.762 0.000) 15.762 0.781 ( 0.000 19.049 0.000) 19.049 1.080 ( 0.000 4.029 0.000) 4.029 1.209 ( 0.000 18.169 0.000) 18.169 1.256 ( 0.000 -2.485 0.000) 2.485 1.266 ( 0.000 4.117 0.000) 4.117 1.269 ( 0.000 -7.838 0.000) 7.838 1.369 ( 0.000 7.804 0.000) 7.804 1.540 ( 0.000 -14.716 0.000) 14.716 1.548 ( 0.000 -2.466 0.000) 2.466 1.787 ( 0.000 -9.000 0.000) 9.000 1.807 ( 0.000 8.333 0.000) 8.333 1.821 ( 0.000 -3.001 0.000) 3.001 1.900 ( 0.000 3.926 0.000) 3.926 1.965 ( 0.000 2.827 0.000) 2.827 2.168 ( 0.000 -8.783 0.000) 8.783 2.366 ( 0.000 5.759 0.000) 5.759 2.423 ( 0.000 3.824 0.000) 3.824 2.445 ( 0.000 0.349 0.000) 0.349 2.556 ( 0.000 10.437 0.000) 10.437 2.683 ( 0.000 -7.264 0.000) 7.264 2.713 ( 0.000 9.388 0.000) 9.388 2.837 ( 0.000 3.690 0.000) 3.690 2.865 ( 0.000 1.301 0.000) 1.301 2.920 ( 0.000 -1.816 0.000) 1.816 3.001 ( 0.000 -3.454 0.000) 3.454 3.087 ( 0.000 2.037 0.000) 2.037 3.126 ( 0.000 6.068 0.000) 6.068 3.177 ( 0.000 0.235 0.000) 0.235 3.234 ( 0.000 8.931 0.000) 8.931 3.333 ( 0.000 8.722 0.000) 8.722 3.375 ( 0.000 -1.283 0.000) 1.283 3.400 ( 0.000 5.622 0.000) 5.622 3.476 ( 0.000 -8.149 0.000) 8.149 3.551 ( 0.000 -5.302 0.000) 5.302 3.564 ( 0.000 -0.520 0.000) 0.520 3.675 ( 0.000 -2.704 0.000) 2.704 3.713 ( 0.000 7.777 0.000) 7.777 3.772 ( 0.000 -6.052 0.000) 6.052 3.841 ( 0.000 4.153 0.000) 4.153 4.137 ( 0.000 -9.020 0.000) 9.020 4.209 ( 0.000 -2.886 0.000) 2.886 4.210 ( 0.000 -12.088 0.000) 12.088 4.299 ( 0.000 -5.630 0.000) 5.630 4.526 ( 0.000 6.272 0.000) 6.272 4.538 ( 0.000 -3.328 0.000) 3.328 4.567 ( 0.000 3.238 0.000) 3.238 4.589 ( 0.000 -3.738 0.000) 3.738 4.659 ( 0.000 2.184 0.000) 2.184 4.709 ( 0.000 -1.897 0.000) 1.897 4.753 ( 0.000 -3.115 0.000) 3.115 4.823 ( 0.000 -6.266 0.000) 6.266 4.828 ( 0.000 3.473 0.000) 3.473 4.864 ( 0.000 0.843 0.000) 0.843 4.981 ( 0.000 -1.381 0.000) 1.381 5.035 ( 0.000 -1.257 0.000) 1.257 5.041 ( 0.000 -2.752 0.000) 2.752 5.109 ( 0.000 -2.762 0.000) 2.762 5.221 ( 0.000 4.968 0.000) 4.968 5.325 ( 0.000 0.045 0.000) 0.045 5.379 ( 0.000 1.997 0.000) 1.997 5.416 ( 0.000 0.926 0.000) 0.926 5.446 ( 0.000 -1.005 0.000) 1.005 5.521 ( 0.000 -3.967 0.000) 3.967 6.085 ( 0.000 3.768 0.000) 3.768 6.180 ( 0.000 -1.629 0.000) 1.629 6.203 ( 0.000 3.419 0.000) 3.419 6.326 ( 0.000 -2.115 0.000) 2.115 7.926 ( 0.000 1.801 0.000) 1.801 7.960 ( 0.000 0.636 0.000) 0.636 8.002 ( 0.000 -0.825 0.000) 0.825 8.045 ( 0.000 -3.888 0.000) 3.888 8.280 ( 0.000 0.378 0.000) 0.378 8.300 ( 0.000 -0.393 0.000) 0.393 8.347 ( 0.000 0.504 0.000) 0.504 8.367 ( 0.000 -0.349 0.000) 0.349 8.516 ( 0.000 6.889 0.000) 6.889 8.573 ( 0.000 6.791 0.000) 6.791 8.769 ( 0.000 -4.632 0.000) 4.632 8.819 ( 0.000 -4.593 0.000) 4.593 9.133 ( 0.000 0.269 0.000) 0.269 9.138 ( 0.000 1.031 0.000) 1.031 9.162 ( 0.000 -0.970 0.000) 0.970 9.188 ( 0.000 -1.253 0.000) 1.253 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 1.814 14.513 0.000) 14.626 0.847 ( 6.151 17.067 0.000) 18.142 0.957 ( -9.499 6.077 0.000) 11.277 1.175 ( -7.441 7.580 0.000) 10.622 1.234 ( -1.287 -10.025 0.000) 10.107 1.237 ( -1.975 -6.257 0.000) 6.561 1.324 ( 7.694 16.584 0.000) 18.282 1.451 ( 5.750 8.031 0.000) 9.877 1.553 ( 1.680 -13.491 0.000) 13.595 1.581 ( 2.472 -5.820 0.000) 6.323 1.776 ( -2.726 7.785 0.000) 8.249 1.823 ( -6.082 6.867 0.000) 9.173 1.838 ( 1.223 -1.675 0.000) 2.074 1.858 ( 5.543 -9.302 0.000) 10.828 1.935 ( -2.818 2.239 0.000) 3.599 2.107 ( -5.490 -7.211 0.000) 9.063 2.393 ( 1.634 4.498 0.000) 4.786 2.408 ( -0.763 5.009 0.000) 5.067 2.482 ( 2.220 0.091 0.000) 2.222 2.521 ( -2.828 6.609 0.000) 7.188 2.672 ( 0.407 -1.680 0.000) 1.728 2.711 ( -0.061 8.257 0.000) 8.257 2.842 ( 0.561 2.241 0.000) 2.310 2.855 ( 1.152 3.590 0.000) 3.770 3.002 ( 0.532 -1.737 0.000) 1.817 3.050 ( -2.618 3.451 0.000) 4.332 3.069 ( 9.339 -0.797 0.000) 9.373 3.122 ( 0.670 2.936 0.000) 3.011 3.133 ( -3.617 1.352 0.000) 3.862 3.266 ( 1.994 7.550 0.000) 7.808 3.293 ( -1.575 5.508 0.000) 5.729 3.349 ( -3.110 4.177 0.000) 5.208 3.418 ( 0.141 0.927 0.000) 0.937 3.426 ( -3.733 -7.775 0.000) 8.624 3.592 ( 2.117 -2.874 0.000) 3.570 3.613 ( -3.954 -5.389 0.000) 6.684 3.643 ( 6.458 -2.721 0.000) 7.008 3.694 ( -0.589 4.826 0.000) 4.862 3.796 ( 1.739 -2.429 0.000) 2.987 3.848 ( -0.539 2.911 0.000) 2.961 4.048 ( -4.979 -5.033 0.000) 7.079 4.141 ( -6.005 -1.334 0.000) 6.152 4.282 ( 3.860 -12.567 0.000) 13.147 4.324 ( 1.270 -7.928 0.000) 8.029 4.553 ( 2.138 5.146 0.000) 5.572 4.566 ( 2.264 -1.726 0.000) 2.848 4.591 ( 2.774 3.511 0.000) 4.474 4.608 ( 1.159 -0.780 0.000) 1.397 4.680 ( 3.225 -1.511 0.000) 3.562 4.726 ( 1.741 -2.267 0.000) 2.858 4.754 ( 0.178 -2.931 0.000) 2.936 4.832 ( 0.401 2.965 0.000) 2.992 4.840 ( -0.182 -0.204 0.000) 0.274 4.868 ( 0.917 -6.857 0.000) 6.918 4.937 ( -4.303 -1.856 0.000) 4.686 5.001 ( -0.286 2.773 0.000) 2.787 5.017 ( -2.935 -2.348 0.000) 3.759 5.149 ( -5.837 4.475 0.000) 7.355 5.150 ( 2.843 -4.774 0.000) 5.556 5.289 ( -3.978 -2.750 0.000) 4.836 5.403 ( 1.938 3.065 0.000) 3.627 5.426 ( 0.594 1.141 0.000) 1.286 5.466 ( 2.041 -1.068 0.000) 2.304 5.521 ( -0.254 -3.143 0.000) 3.153 6.100 ( 1.556 3.972 0.000) 4.265 6.182 ( -2.093 3.842 0.000) 4.375 6.203 ( 2.272 -1.608 0.000) 2.784 6.304 ( -2.200 -1.846 0.000) 2.872 7.932 ( 0.632 1.652 0.000) 1.769 7.956 ( -0.420 0.823 0.000) 0.924 8.007 ( 0.497 -1.004 0.000) 1.120 8.036 ( -0.841 -2.993 0.000) 3.109 8.292 ( 1.181 0.396 0.000) 1.245 8.311 ( 1.073 -0.349 0.000) 1.129 8.339 ( -0.823 0.474 0.000) 0.950 8.357 ( -0.990 -0.279 0.000) 1.029 8.520 ( 0.465 7.027 0.000) 7.042 8.559 ( -1.337 7.195 0.000) 7.318 8.777 ( 0.841 -4.755 0.000) 4.829 8.813 ( -0.667 -4.821 0.000) 4.867 9.133 ( 0.021 0.406 0.000) 0.407 9.137 ( -0.140 0.950 0.000) 0.960 9.166 ( 0.453 -1.064 0.000) 1.156 9.185 ( -0.357 -1.270 0.000) 1.319 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -8.143 10.021 0.000) 12.912 0.768 ( 8.143 10.021 0.000) 12.912 1.014 ( -9.331 12.656 0.000) 15.724 1.014 ( 9.331 12.656 0.000) 15.724 1.214 ( -0.021 -10.228 0.000) 10.228 1.214 ( 0.021 -10.228 0.000) 10.228 1.469 ( -5.251 9.097 0.000) 10.504 1.469 ( 5.251 9.097 0.000) 10.504 1.595 ( -1.654 -7.659 0.000) 7.835 1.595 ( 1.654 -7.659 0.000) 7.835 1.739 ( -0.609 7.990 0.000) 8.013 1.739 ( 0.609 7.990 0.000) 8.013 1.868 ( -2.382 -1.732 0.000) 2.946 1.868 ( 2.382 -1.732 0.000) 2.946 1.992 ( -6.769 -5.537 0.000) 8.745 1.992 ( 6.769 -5.537 0.000) 8.745 2.403 ( -0.121 5.121 0.000) 5.123 2.403 ( 0.121 5.121 0.000) 5.123 2.496 ( -0.062 2.233 0.000) 2.234 2.496 ( 0.062 2.233 0.000) 2.234 2.700 ( -1.577 3.514 0.000) 3.851 2.700 ( 1.577 3.514 0.000) 3.851 2.859 ( -0.662 4.203 0.000) 4.255 2.859 ( 0.662 4.203 0.000) 4.255 3.018 ( -1.163 2.775 0.000) 3.009 3.018 ( 1.163 2.775 0.000) 3.009 3.095 ( -0.027 1.656 0.000) 1.656 3.095 ( 0.027 1.656 0.000) 1.656 3.263 ( -5.909 1.591 0.000) 6.119 3.263 ( 5.909 1.591 0.000) 6.119 3.289 ( -1.552 2.937 0.000) 3.322 3.289 ( 1.552 2.937 0.000) 3.322 3.382 ( -0.063 -1.609 0.000) 1.610 3.382 ( 0.063 -1.609 0.000) 1.610 3.597 ( -1.379 -2.895 0.000) 3.206 3.597 ( 1.379 -2.895 0.000) 3.206 3.709 ( -0.505 -3.317 0.000) 3.355 3.709 ( 0.505 -3.317 0.000) 3.355 3.822 ( -1.549 0.286 0.000) 1.575 3.822 ( 1.549 0.286 0.000) 1.575 4.034 ( -4.051 0.638 0.000) 4.101 4.034 ( 4.051 0.638 0.000) 4.101 4.326 ( -1.040 -10.874 0.000) 10.924 4.326 ( 1.040 -10.874 0.000) 10.924 4.580 ( -0.767 2.490 0.000) 2.606 4.580 ( 0.767 2.490 0.000) 2.606 4.627 ( -0.204 1.319 0.000) 1.335 4.627 ( 0.204 1.319 0.000) 1.335 4.744 ( -1.968 -2.717 0.000) 3.355 4.744 ( 1.968 -2.717 0.000) 3.355 4.791 ( -5.357 -3.848 0.000) 6.595 4.791 ( 5.357 -3.848 0.000) 6.595 4.845 ( -1.210 0.176 0.000) 1.223 4.845 ( 1.210 0.176 0.000) 1.223 4.936 ( -4.418 -0.967 0.000) 4.522 4.936 ( 4.418 -0.967 0.000) 4.522 5.052 ( -4.631 2.279 0.000) 5.161 5.052 ( 4.631 2.279 0.000) 5.161 5.210 ( -3.971 -4.618 0.000) 6.091 5.210 ( 3.971 -4.618 0.000) 6.091 5.427 ( -0.564 2.244 0.000) 2.314 5.427 ( 0.564 2.244 0.000) 2.314 5.504 ( -1.674 -1.988 0.000) 2.599 5.504 ( 1.674 -1.988 0.000) 2.599 6.138 ( -2.446 4.193 0.000) 4.854 6.138 ( 2.446 4.193 0.000) 4.854 6.254 ( -3.051 -1.619 0.000) 3.454 6.254 ( 3.051 -1.619 0.000) 3.454 7.945 ( -0.739 1.256 0.000) 1.457 7.945 ( 0.739 1.256 0.000) 1.457 8.020 ( -0.884 -1.685 0.000) 1.903 8.020 ( 0.884 -1.685 0.000) 1.903 8.318 ( -1.456 0.426 0.000) 1.517 8.318 ( 1.456 0.426 0.000) 1.517 8.334 ( -1.399 -0.243 0.000) 1.420 8.334 ( 1.399 -0.243 0.000) 1.420 8.534 ( -1.124 7.297 0.000) 7.383 8.534 ( 1.124 7.297 0.000) 7.383 8.796 ( -1.124 -4.929 0.000) 5.055 8.796 ( 1.124 -4.929 0.000) 5.055 9.134 ( -0.114 0.697 0.000) 0.706 9.134 ( 0.114 0.697 0.000) 0.706 9.176 ( -0.564 -1.214 0.000) 1.338 9.176 ( 0.564 -1.214 0.000) 1.338 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 -0.50 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 -14.437 0.000) 14.437 0.985 ( 0.000 14.437 0.000) 14.437 1.117 ( 0.000 -6.430 0.000) 6.430 1.117 ( 0.000 6.430 0.000) 6.430 1.238 ( 0.000 -7.765 0.000) 7.765 1.238 ( 0.000 7.765 0.000) 7.765 1.372 ( 0.000 -4.944 0.000) 4.944 1.372 ( 0.000 4.944 0.000) 4.944 1.570 ( 0.000 -10.728 0.000) 10.728 1.570 ( 0.000 10.728 0.000) 10.728 1.665 ( 0.000 -11.894 0.000) 11.894 1.665 ( 0.000 11.894 0.000) 11.894 1.972 ( 0.000 -2.257 0.000) 2.257 1.972 ( 0.000 2.257 0.000) 2.257 1.986 ( 0.000 -8.770 0.000) 8.770 1.986 ( 0.000 8.770 0.000) 8.770 2.456 ( 0.000 -0.122 0.000) 0.122 2.456 ( 0.000 0.122 0.000) 0.122 2.518 ( 0.000 -8.254 0.000) 8.254 2.518 ( 0.000 8.254 0.000) 8.254 2.783 ( 0.000 -9.408 0.000) 9.408 2.783 ( 0.000 9.408 0.000) 9.408 2.879 ( 0.000 -2.954 0.000) 2.954 2.879 ( 0.000 2.954 0.000) 2.954 2.923 ( 0.000 -2.264 0.000) 2.264 2.923 ( 0.000 2.264 0.000) 2.264 3.133 ( 0.000 -3.137 0.000) 3.137 3.133 ( 0.000 3.137 0.000) 3.137 3.249 ( 0.000 -6.402 0.000) 6.402 3.249 ( 0.000 6.402 0.000) 6.402 3.375 ( 0.000 -5.231 0.000) 5.231 3.375 ( 0.000 5.231 0.000) 5.231 3.499 ( 0.000 -4.462 0.000) 4.462 3.499 ( 0.000 4.462 0.000) 4.462 3.517 ( 0.000 -1.950 0.000) 1.950 3.517 ( 0.000 1.950 0.000) 1.950 3.634 ( 0.000 -3.797 0.000) 3.797 3.634 ( 0.000 3.797 0.000) 3.797 3.858 ( 0.000 -3.687 0.000) 3.687 3.858 ( 0.000 3.687 0.000) 3.687 4.054 ( 0.000 -1.984 0.000) 1.984 4.054 ( 0.000 1.984 0.000) 1.984 4.190 ( 0.000 -2.369 0.000) 2.369 4.190 ( 0.000 2.369 0.000) 2.369 4.522 ( 0.000 -1.863 0.000) 1.863 4.522 ( 0.000 1.863 0.000) 1.863 4.660 ( 0.000 -2.410 0.000) 2.410 4.660 ( 0.000 2.410 0.000) 2.410 4.675 ( 0.000 -4.981 0.000) 4.981 4.675 ( 0.000 4.981 0.000) 4.981 4.684 ( 0.000 -0.759 0.000) 0.759 4.684 ( 0.000 0.759 0.000) 0.759 4.913 ( 0.000 -3.584 0.000) 3.584 4.913 ( 0.000 3.584 0.000) 3.584 4.939 ( 0.000 -6.199 0.000) 6.199 4.939 ( 0.000 6.199 0.000) 6.199 5.058 ( 0.000 -2.194 0.000) 2.194 5.058 ( 0.000 2.194 0.000) 2.194 5.296 ( 0.000 -2.369 0.000) 2.369 5.296 ( 0.000 2.369 0.000) 2.369 5.431 ( 0.000 -0.583 0.000) 0.583 5.431 ( 0.000 0.583 0.000) 0.583 5.446 ( 0.000 -3.495 0.000) 3.495 5.446 ( 0.000 3.495 0.000) 3.495 6.144 ( 0.000 -2.075 0.000) 2.075 6.144 ( 0.000 2.075 0.000) 2.075 6.272 ( 0.000 -3.052 0.000) 3.052 6.272 ( 0.000 3.052 0.000) 3.052 7.974 ( 0.000 -2.908 0.000) 2.908 7.974 ( 0.000 2.908 0.000) 2.908 7.980 ( 0.000 -1.161 0.000) 1.161 7.980 ( 0.000 1.161 0.000) 1.161 8.290 ( 0.000 -0.519 0.000) 0.519 8.290 ( 0.000 0.519 0.000) 0.519 8.358 ( 0.000 -0.507 0.000) 0.507 8.358 ( 0.000 0.507 0.000) 0.507 8.655 ( 0.000 -6.263 0.000) 6.263 8.655 ( 0.000 6.263 0.000) 6.263 8.708 ( 0.000 -6.064 0.000) 6.064 8.708 ( 0.000 6.064 0.000) 6.064 9.144 ( 0.000 -0.745 0.000) 0.745 9.144 ( 0.000 0.745 0.000) 0.745 9.162 ( 0.000 -1.251 0.000) 1.251 9.162 ( 0.000 1.251 0.000) 1.251 ======================= Grid point 17 (11/60) ======================= q-point: ( 0.25 -0.50 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -0.725 -13.775 0.000) 13.794 0.971 ( -0.725 13.775 0.000) 13.794 1.083 ( -4.961 -5.135 0.000) 7.140 1.083 ( -4.961 5.135 0.000) 7.140 1.225 ( 1.861 -15.307 0.000) 15.419 1.225 ( 1.861 15.307 0.000) 15.419 1.353 ( -2.135 -8.818 0.000) 9.073 1.353 ( -2.135 8.818 0.000) 9.073 1.649 ( 6.278 -9.940 0.000) 11.757 1.649 ( 6.278 9.940 0.000) 11.757 1.697 ( 2.726 -11.076 0.000) 11.407 1.697 ( 2.726 11.076 0.000) 11.407 1.931 ( -3.498 -3.104 0.000) 4.677 1.931 ( -3.498 3.104 0.000) 4.677 1.949 ( -3.455 -7.839 0.000) 8.567 1.949 ( -3.455 7.839 0.000) 8.567 2.475 ( 1.406 -1.608 0.000) 2.136 2.475 ( 1.406 1.608 0.000) 2.136 2.504 ( -1.000 -5.440 0.000) 5.531 2.504 ( -1.000 5.440 0.000) 5.531 2.792 ( 1.415 -7.767 0.000) 7.895 2.792 ( 1.415 7.767 0.000) 7.895 2.872 ( -1.060 -4.460 0.000) 4.584 2.872 ( -1.060 4.460 0.000) 4.584 3.000 ( 7.044 -3.106 0.000) 7.698 3.000 ( 7.044 3.106 0.000) 7.698 3.118 ( -0.817 -2.753 0.000) 2.872 3.118 ( -0.817 2.753 0.000) 2.872 3.232 ( -1.551 -7.403 0.000) 7.563 3.232 ( -1.551 7.403 0.000) 7.563 3.345 ( -4.704 -4.801 0.000) 6.722 3.345 ( -4.704 4.801 0.000) 6.722 3.468 ( -1.733 -8.305 0.000) 8.483 3.468 ( -1.733 8.305 0.000) 8.483 3.489 ( -1.015 -6.664 0.000) 6.740 3.489 ( -1.015 6.664 0.000) 6.740 3.700 ( 4.699 -6.185 0.000) 7.768 3.700 ( 4.699 6.185 0.000) 7.768 3.834 ( -2.376 -5.015 0.000) 5.549 3.834 ( -2.376 5.015 0.000) 5.549 4.075 ( 2.135 -6.619 0.000) 6.955 4.075 ( 2.135 6.619 0.000) 6.955 4.173 ( -1.948 -5.074 0.000) 5.435 4.173 ( -1.948 5.074 0.000) 5.435 4.560 ( 3.795 -1.601 0.000) 4.119 4.560 ( 3.795 1.601 0.000) 4.119 4.655 ( -0.476 -3.227 0.000) 3.262 4.655 ( -0.476 3.227 0.000) 3.262 4.689 ( 0.629 -1.271 0.000) 1.418 4.689 ( 0.629 1.271 0.000) 1.418 4.711 ( 2.616 -5.061 0.000) 5.697 4.711 ( 2.616 5.061 0.000) 5.697 4.887 ( -2.029 -2.802 0.000) 3.459 4.887 ( -2.029 2.802 0.000) 3.459 4.928 ( -1.228 -5.448 0.000) 5.585 4.928 ( -1.228 5.448 0.000) 5.585 5.065 ( 1.283 -3.492 0.000) 3.720 5.065 ( 1.283 3.492 0.000) 3.720 5.229 ( -5.993 -3.222 0.000) 6.804 5.229 ( -5.993 3.222 0.000) 6.804 5.447 ( 1.438 -0.919 0.000) 1.707 5.447 ( 1.438 0.919 0.000) 1.707 5.464 ( 1.076 -2.698 0.000) 2.905 5.464 ( 1.076 2.698 0.000) 2.905 6.163 ( 2.011 -2.312 0.000) 3.064 6.163 ( 2.011 2.312 0.000) 3.064 6.254 ( -1.915 -3.006 0.000) 3.564 6.254 ( -1.915 3.006 0.000) 3.564 7.976 ( 0.189 -2.614 0.000) 2.621 7.976 ( 0.189 2.614 0.000) 2.621 7.980 ( 0.009 -1.373 0.000) 1.373 7.980 ( 0.009 1.373 0.000) 1.373 8.301 ( 1.162 -0.492 0.000) 1.262 8.301 ( 1.162 0.492 0.000) 1.262 8.349 ( -0.894 -0.459 0.000) 1.005 8.349 ( -0.894 0.459 0.000) 1.005 8.661 ( 0.662 -6.350 0.000) 6.384 8.661 ( 0.662 6.350 0.000) 6.384 8.699 ( -0.947 -6.227 0.000) 6.299 8.699 ( -0.947 6.227 0.000) 6.299 9.146 ( 0.267 -0.850 0.000) 0.891 9.146 ( 0.267 0.850 0.000) 0.891 9.159 ( -0.293 -1.202 0.000) 1.237 9.159 ( -0.293 1.202 0.000) 1.237 ======================= Grid point 19 (12/60) ======================= q-point: (-0.50 -0.50 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -3.457 -11.050 0.000) 11.579 0.992 ( 3.457 -11.050 0.000) 11.579 0.992 ( -3.457 11.050 0.000) 11.579 0.992 ( 3.457 11.050 0.000) 11.579 1.293 ( -4.208 -13.796 0.000) 14.423 1.293 ( 4.208 -13.796 0.000) 14.423 1.293 ( -4.208 13.796 0.000) 14.423 1.293 ( 4.208 13.796 0.000) 14.423 1.727 ( -0.847 -9.645 0.000) 9.682 1.727 ( 0.847 -9.645 0.000) 9.682 1.727 ( -0.847 9.645 0.000) 9.682 1.727 ( 0.847 9.645 0.000) 9.682 1.895 ( -0.957 -5.680 0.000) 5.760 1.895 ( 0.957 -5.680 0.000) 5.760 1.895 ( -0.957 5.680 0.000) 5.760 1.895 ( 0.957 5.680 0.000) 5.760 2.491 ( -0.525 -2.995 0.000) 3.040 2.491 ( 0.525 -2.995 0.000) 3.040 2.491 ( -0.525 2.995 0.000) 3.040 2.491 ( 0.525 2.995 0.000) 3.040 2.834 ( -2.723 -6.482 0.000) 7.031 2.834 ( 2.723 -6.482 0.000) 7.031 2.834 ( -2.723 6.482 0.000) 7.031 2.834 ( 2.723 6.482 0.000) 7.031 3.108 ( -2.216 -4.378 0.000) 4.907 3.108 ( 2.216 -4.378 0.000) 4.907 3.108 ( -2.216 4.378 0.000) 4.907 3.108 ( 2.216 4.378 0.000) 4.907 3.236 ( -4.253 -5.960 0.000) 7.321 3.236 ( 4.253 -5.960 0.000) 7.321 3.236 ( -4.253 5.960 0.000) 7.321 3.236 ( 4.253 5.960 0.000) 7.321 3.469 ( -0.947 -8.275 0.000) 8.329 3.469 ( 0.947 -8.275 0.000) 8.329 3.469 ( -0.947 8.275 0.000) 8.329 3.469 ( 0.947 8.275 0.000) 8.329 3.778 ( -3.715 -5.011 0.000) 6.238 3.778 ( 3.715 -5.011 0.000) 6.238 3.778 ( -3.715 5.011 0.000) 6.238 3.778 ( 3.715 5.011 0.000) 6.238 4.124 ( -3.021 -7.697 0.000) 8.269 4.124 ( 3.021 -7.697 0.000) 8.269 4.124 ( -3.021 7.697 0.000) 8.269 4.124 ( 3.021 7.697 0.000) 8.269 4.630 ( -2.811 -2.238 0.000) 3.594 4.630 ( 2.811 -2.238 0.000) 3.594 4.630 ( -2.811 2.238 0.000) 3.594 4.630 ( 2.811 2.238 0.000) 3.594 4.713 ( -1.951 -1.805 0.000) 2.658 4.713 ( 1.951 -1.805 0.000) 2.658 4.713 ( -1.951 1.805 0.000) 2.658 4.713 ( 1.951 1.805 0.000) 2.658 4.892 ( -2.362 -3.050 0.000) 3.858 4.892 ( 2.362 -3.050 0.000) 3.858 4.892 ( -2.362 3.050 0.000) 3.858 4.892 ( 2.362 3.050 0.000) 3.858 5.120 ( -4.926 -3.895 0.000) 6.280 5.120 ( 4.926 -3.895 0.000) 6.280 5.120 ( -4.926 3.895 0.000) 6.280 5.120 ( 4.926 3.895 0.000) 6.280 5.469 ( -0.613 -1.730 0.000) 1.835 5.469 ( 0.613 -1.730 0.000) 1.835 5.469 ( -0.613 1.730 0.000) 1.835 5.469 ( 0.613 1.730 0.000) 1.835 6.209 ( -2.719 -2.754 0.000) 3.870 6.209 ( 2.719 -2.754 0.000) 3.870 6.209 ( -2.719 2.754 0.000) 3.870 6.209 ( 2.719 2.754 0.000) 3.870 7.979 ( -0.106 -1.952 0.000) 1.955 7.979 ( 0.106 -1.952 0.000) 1.955 7.979 ( -0.106 1.952 0.000) 1.955 7.979 ( 0.106 1.952 0.000) 1.955 8.327 ( -1.457 -0.434 0.000) 1.520 8.327 ( -1.457 0.434 0.000) 1.520 8.327 ( 1.457 -0.434 0.000) 1.520 8.327 ( 1.457 0.434 0.000) 1.520 8.678 ( -1.139 -6.409 0.000) 6.509 8.678 ( 1.139 -6.409 0.000) 6.509 8.678 ( -1.139 6.409 0.000) 6.509 8.678 ( 1.139 6.409 0.000) 6.509 9.152 ( -0.393 -1.051 0.000) 1.123 9.152 ( 0.393 -1.051 0.000) 1.123 9.152 ( -0.393 1.051 0.000) 1.123 9.152 ( 0.393 1.051 0.000) 1.123 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 0.000 0.000 18.672) 18.672 0.382 ( 0.000 0.000 19.151) 19.151 0.779 ( 0.000 0.000 38.674) 38.674 0.924 ( 0.000 0.000 1.315) 1.315 1.256 ( 0.000 0.000 2.930) 2.930 1.294 ( 0.000 0.000 3.123) 3.123 1.324 ( 0.000 0.000 1.820) 1.820 1.377 ( 0.000 0.000 -10.039) 10.039 1.425 ( 0.000 0.000 -4.733) 4.733 1.585 ( 0.000 0.000 -2.275) 2.275 1.694 ( 0.000 0.000 4.428) 4.428 1.697 ( 0.000 0.000 -8.987) 8.987 1.933 ( 0.000 0.000 12.115) 12.115 1.972 ( 0.000 0.000 -4.757) 4.757 2.044 ( 0.000 0.000 -11.206) 11.206 2.174 ( 0.000 0.000 -5.197) 5.197 2.259 ( 0.000 0.000 3.828) 3.828 2.289 ( 0.000 0.000 3.017) 3.017 2.450 ( 0.000 0.000 -9.877) 9.877 2.524 ( 0.000 0.000 -12.074) 12.074 2.533 ( 0.000 0.000 1.191) 1.191 2.546 ( 0.000 0.000 4.136) 4.136 2.843 ( 0.000 0.000 -3.991) 3.991 2.887 ( 0.000 0.000 2.804) 2.804 2.942 ( 0.000 0.000 7.339) 7.339 2.975 ( 0.000 0.000 -4.302) 4.302 2.983 ( 0.000 0.000 10.391) 10.391 3.001 ( 0.000 0.000 2.168) 2.168 3.086 ( 0.000 0.000 2.467) 2.467 3.131 ( 0.000 0.000 -5.564) 5.564 3.160 ( 0.000 0.000 7.798) 7.798 3.272 ( 0.000 0.000 7.158) 7.158 3.449 ( 0.000 0.000 6.359) 6.359 3.450 ( 0.000 0.000 -3.937) 3.937 3.540 ( 0.000 0.000 -1.814) 1.814 3.552 ( 0.000 0.000 -5.215) 5.215 3.571 ( 0.000 0.000 -5.073) 5.073 3.794 ( 0.000 0.000 2.011) 2.011 3.958 ( 0.000 0.000 -0.025) 0.025 4.029 ( 0.000 0.000 4.194) 4.194 4.178 ( 0.000 0.000 0.405) 0.405 4.246 ( 0.000 0.000 -2.555) 2.555 4.333 ( 0.000 0.000 -5.730) 5.730 4.385 ( 0.000 0.000 -3.024) 3.024 4.517 ( 0.000 0.000 1.080) 1.080 4.567 ( 0.000 0.000 -6.873) 6.873 4.647 ( 0.000 0.000 -0.764) 0.764 4.726 ( 0.000 0.000 -2.538) 2.538 4.747 ( 0.000 0.000 -3.854) 3.854 4.837 ( 0.000 0.000 0.738) 0.738 4.842 ( 0.000 0.000 -1.475) 1.475 4.864 ( 0.000 0.000 -0.779) 0.779 4.875 ( 0.000 0.000 3.084) 3.084 4.900 ( 0.000 0.000 -0.544) 0.544 4.912 ( 0.000 0.000 5.910) 5.910 4.962 ( 0.000 0.000 3.114) 3.114 5.009 ( 0.000 0.000 1.895) 1.895 5.135 ( 0.000 0.000 1.206) 1.206 5.170 ( 0.000 0.000 0.085) 0.085 5.269 ( 0.000 0.000 -6.070) 6.070 5.380 ( 0.000 0.000 -0.392) 0.392 5.507 ( 0.000 0.000 1.883) 1.883 5.692 ( 0.000 0.000 0.204) 0.204 5.700 ( 0.000 0.000 0.079) 0.079 5.737 ( 0.000 0.000 -10.260) 10.260 5.855 ( 0.000 0.000 1.402) 1.402 6.205 ( 0.000 0.000 4.407) 4.407 6.688 ( 0.000 0.000 -3.049) 3.049 7.902 ( 0.000 0.000 1.098) 1.098 7.974 ( 0.000 0.000 1.567) 1.567 8.016 ( 0.000 0.000 0.590) 0.590 8.049 ( 0.000 0.000 1.209) 1.209 8.184 ( 0.000 0.000 -0.895) 0.895 8.257 ( 0.000 0.000 -1.625) 1.625 8.313 ( 0.000 0.000 -0.884) 0.884 8.316 ( 0.000 0.000 0.634) 0.634 8.358 ( 0.000 0.000 0.326) 0.326 8.368 ( 0.000 0.000 1.361) 1.361 8.396 ( 0.000 0.000 1.261) 1.261 8.780 ( 0.000 0.000 -7.520) 7.520 9.165 ( 0.000 0.000 4.019) 4.019 9.178 ( 0.000 0.000 0.655) 0.655 9.293 ( 0.000 0.000 5.340) 5.340 9.814 ( 0.000 0.000 -2.053) 2.053 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 9.662 0.000 14.072) 17.070 0.511 ( 12.157 0.000 13.577) 18.224 0.857 ( -7.541 0.000 4.292) 8.677 0.938 ( 14.585 0.000 30.621) 33.917 1.048 ( -13.565 0.000 2.751) 13.842 1.254 ( 1.216 0.000 -0.192) 1.231 1.386 ( -1.981 0.000 -4.052) 4.510 1.470 ( 7.638 0.000 1.084) 7.714 1.496 ( 0.998 0.000 -2.729) 2.905 1.575 ( -0.714 0.000 -1.299) 1.482 1.627 ( -5.867 0.000 5.073) 7.756 1.677 ( -2.303 0.000 -7.421) 7.770 1.882 ( 1.718 0.000 3.027) 3.481 2.016 ( -1.670 0.000 -9.342) 9.490 2.040 ( 2.030 0.000 -0.208) 2.041 2.111 ( -5.741 0.000 -1.308) 5.888 2.322 ( 5.817 0.000 -1.954) 6.136 2.325 ( 1.014 0.000 0.293) 1.055 2.414 ( -3.924 0.000 -8.715) 9.558 2.469 ( 0.069 0.000 -12.328) 12.328 2.517 ( -3.065 0.000 2.496) 3.953 2.593 ( 5.299 0.000 1.015) 5.396 2.720 ( -7.221 0.000 -2.211) 7.552 2.822 ( -7.175 0.000 -0.773) 7.216 2.942 ( -0.862 0.000 8.713) 8.755 3.014 ( 1.602 0.000 3.622) 3.960 3.016 ( -0.916 0.000 7.868) 7.921 3.055 ( 1.884 0.000 5.826) 6.123 3.073 ( 3.580 0.000 -3.163) 4.777 3.152 ( 3.216 0.000 -3.367) 4.656 3.205 ( 3.034 0.000 4.086) 5.089 3.298 ( 1.545 0.000 5.977) 6.173 3.386 ( -3.715 0.000 3.942) 5.417 3.444 ( 1.480 0.000 3.988) 4.254 3.519 ( -3.324 0.000 -2.963) 4.453 3.578 ( 4.368 0.000 -7.437) 8.625 3.644 ( 3.940 0.000 -5.920) 7.111 3.793 ( -3.675 0.000 2.834) 4.641 3.999 ( -0.673 0.000 5.345) 5.387 4.020 ( 6.257 0.000 -0.385) 6.268 4.166 ( -6.203 0.000 -1.871) 6.479 4.283 ( 8.350 0.000 -5.262) 9.870 4.292 ( -6.060 0.000 -5.743) 8.349 4.394 ( 3.514 0.000 -0.331) 3.529 4.528 ( -0.627 0.000 -0.078) 0.632 4.548 ( -2.564 0.000 -6.736) 7.208 4.651 ( 0.716 0.000 0.058) 0.718 4.711 ( 0.166 0.000 -3.070) 3.074 4.767 ( 0.506 0.000 -1.948) 2.012 4.789 ( -6.491 0.000 -0.339) 6.500 4.811 ( -1.339 0.000 -1.705) 2.168 4.837 ( -0.829 0.000 -0.393) 0.917 4.908 ( 2.279 0.000 1.730) 2.861 4.938 ( 2.129 0.000 4.773) 5.226 4.947 ( 1.514 0.000 7.585) 7.735 5.000 ( -0.940 0.000 2.414) 2.591 5.010 ( 4.491 0.000 -0.281) 4.500 5.050 ( -0.488 0.000 -3.034) 3.073 5.247 ( 0.614 0.000 -3.289) 3.346 5.303 ( 3.222 0.000 -3.036) 4.427 5.414 ( 2.493 0.000 -0.705) 2.591 5.458 ( -3.871 0.000 5.423) 6.663 5.693 ( 0.125 0.000 0.187) 0.225 5.699 ( -0.120 0.000 0.099) 0.155 5.732 ( -0.198 0.000 -11.070) 11.071 5.800 ( -4.006 0.000 -1.990) 4.473 6.266 ( 5.174 0.000 3.298) 6.136 6.523 ( -10.640 0.000 5.072) 11.787 7.912 ( 1.138 0.000 1.183) 1.641 7.965 ( -1.071 0.000 1.619) 1.941 8.020 ( 0.411 0.000 0.651) 0.770 8.043 ( -0.603 0.000 1.073) 1.231 8.266 ( 0.956 0.000 -1.472) 1.755 8.302 ( 2.410 0.000 -1.234) 2.708 8.306 ( -0.765 0.000 -0.963) 1.230 8.326 ( 0.476 0.000 -0.174) 0.507 8.359 ( 0.475 0.000 1.988) 2.044 8.389 ( -0.735 0.000 1.413) 1.592 8.483 ( 13.095 0.000 -12.554) 18.141 8.760 ( -2.478 0.000 -9.286) 9.611 9.171 ( 0.592 0.000 3.767) 3.813 9.180 ( 0.165 0.000 1.170) 1.182 9.309 ( 2.123 0.000 6.695) 7.024 9.596 ( -15.213 0.000 10.965) 18.753 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -11.412 0.000 8.601) 14.291 0.674 ( 11.412 0.000 8.601) 14.291 0.767 ( -14.981 0.000 7.265) 16.649 0.767 ( 14.981 0.000 7.265) 16.649 1.274 ( -18.271 0.000 19.645) 26.828 1.274 ( 18.271 0.000 19.645) 26.828 1.318 ( -4.543 0.000 -3.010) 5.450 1.318 ( 4.543 0.000 -3.010) 5.450 1.590 ( -0.714 0.000 -3.999) 4.062 1.590 ( 0.714 0.000 -3.999) 4.062 1.603 ( -5.973 0.000 -2.713) 6.560 1.603 ( 5.973 0.000 -2.713) 6.560 1.988 ( -6.924 0.000 -1.521) 7.089 1.988 ( 6.924 0.000 -1.521) 7.089 2.022 ( -2.872 0.000 -4.815) 5.606 2.022 ( 2.872 0.000 -4.815) 5.606 2.339 ( -3.065 0.000 -6.597) 7.274 2.339 ( 3.065 0.000 -6.597) 7.274 2.434 ( -5.793 0.000 -1.263) 5.929 2.434 ( 5.793 0.000 -1.263) 5.929 2.577 ( -8.360 0.000 -5.169) 9.829 2.577 ( 8.360 0.000 -5.169) 9.829 2.700 ( -6.240 0.000 0.062) 6.240 2.700 ( 6.240 0.000 0.062) 6.240 2.952 ( -2.530 0.000 6.606) 7.074 2.952 ( 2.530 0.000 6.606) 7.074 3.047 ( -1.666 0.000 4.037) 4.367 3.047 ( 1.666 0.000 4.037) 4.367 3.176 ( -4.918 0.000 1.705) 5.205 3.176 ( 4.918 0.000 1.705) 5.205 3.239 ( -5.434 0.000 6.263) 8.292 3.239 ( 5.434 0.000 6.263) 8.292 3.429 ( -5.586 0.000 -3.074) 6.376 3.429 ( 5.586 0.000 -3.074) 6.376 3.569 ( -8.170 0.000 2.183) 8.457 3.569 ( 8.170 0.000 2.183) 8.457 3.699 ( -2.704 0.000 -3.449) 4.383 3.699 ( 2.704 0.000 -3.449) 4.383 4.047 ( -5.477 0.000 1.560) 5.695 4.047 ( 5.477 0.000 1.560) 5.695 4.157 ( -7.991 0.000 -2.424) 8.351 4.157 ( 7.991 0.000 -2.424) 8.351 4.449 ( -8.342 0.000 -6.731) 10.719 4.449 ( 8.342 0.000 -6.731) 10.719 4.475 ( -4.489 0.000 -0.486) 4.516 4.475 ( 4.489 0.000 -0.486) 4.516 4.687 ( -3.676 0.000 0.685) 3.739 4.687 ( 3.676 0.000 0.685) 3.739 4.741 ( -2.410 0.000 -2.057) 3.168 4.741 ( 2.410 0.000 -2.057) 3.168 4.817 ( -1.191 0.000 -1.701) 2.076 4.817 ( 1.191 0.000 -1.701) 2.076 4.937 ( -1.265 0.000 3.973) 4.170 4.937 ( 1.265 0.000 3.973) 4.170 4.975 ( -1.770 0.000 3.555) 3.971 4.975 ( 1.770 0.000 3.555) 3.971 5.071 ( -0.291 0.000 -1.747) 1.771 5.071 ( 0.291 0.000 -1.747) 1.771 5.280 ( -3.858 0.000 -2.669) 4.691 5.280 ( 3.858 0.000 -2.669) 4.691 5.435 ( -0.474 0.000 4.121) 4.148 5.435 ( 0.474 0.000 4.121) 4.148 5.696 ( -0.173 0.000 0.144) 0.225 5.696 ( 0.173 0.000 0.144) 0.225 5.744 ( -1.849 0.000 -8.920) 9.110 5.744 ( 1.849 0.000 -8.920) 9.110 6.372 ( -6.548 0.000 4.232) 7.797 6.372 ( 6.548 0.000 4.232) 7.797 7.939 ( -1.600 0.000 1.423) 2.142 7.939 ( 1.600 0.000 1.423) 2.142 8.030 ( -0.691 0.000 0.828) 1.079 8.030 ( 0.691 0.000 0.828) 1.079 8.287 ( -1.192 0.000 -1.184) 1.680 8.287 ( 1.192 0.000 -1.184) 1.680 8.322 ( -0.632 0.000 0.065) 0.635 8.322 ( 0.632 0.000 0.065) 0.635 8.373 ( -0.907 0.000 1.877) 2.085 8.373 ( 0.907 0.000 1.877) 2.085 8.676 ( -7.197 0.000 -13.383) 15.195 8.676 ( 7.197 0.000 -13.383) 15.195 9.180 ( -0.252 0.000 2.484) 2.497 9.180 ( 0.252 0.000 2.484) 2.497 9.390 ( -7.301 0.000 10.625) 12.891 9.390 ( 7.301 0.000 10.625) 12.891 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.17 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 0.000 10.293 13.827) 17.238 0.553 ( 0.000 12.495 13.481) 18.381 0.988 ( 0.000 18.112 26.935) 32.459 1.016 ( 0.000 7.389 3.550) 8.198 1.265 ( 0.000 -0.589 -1.504) 1.615 1.266 ( 0.000 1.362 2.416) 2.773 1.305 ( 0.000 -0.790 2.817) 2.925 1.444 ( 0.000 -2.518 -1.775) 3.081 1.517 ( 0.000 8.988 -2.412) 9.306 1.600 ( 0.000 5.405 -4.096) 6.782 1.607 ( 0.000 -4.961 -8.199) 9.583 1.805 ( 0.000 4.979 1.381) 5.167 1.848 ( 0.000 -6.147 2.306) 6.566 1.936 ( 0.000 -2.106 -1.344) 2.499 2.011 ( 0.000 -5.067 -0.716) 5.118 2.215 ( 0.000 1.110 -5.970) 6.072 2.229 ( 0.000 2.411 -1.041) 2.626 2.337 ( 0.000 -4.084 -3.908) 5.652 2.433 ( 0.000 5.812 -1.063) 5.908 2.449 ( 0.000 -0.019 -1.453) 1.453 2.612 ( 0.000 1.894 1.040) 2.161 2.621 ( 0.000 4.155 -5.718) 7.069 2.852 ( 0.000 -3.362 4.266) 5.432 2.857 ( 0.000 3.538 -3.669) 5.097 2.939 ( 0.000 -2.256 -0.818) 2.400 2.989 ( 0.000 1.742 1.438) 2.259 3.008 ( 0.000 1.358 6.375) 6.518 3.056 ( 0.000 -1.144 1.441) 1.839 3.095 ( 0.000 7.345 -1.575) 7.512 3.165 ( 0.000 3.002 -5.647) 6.395 3.242 ( 0.000 7.356 8.720) 11.408 3.269 ( 0.000 -2.141 3.844) 4.400 3.336 ( 0.000 -2.149 -3.720) 4.296 3.522 ( 0.000 -0.026 -2.100) 2.100 3.588 ( 0.000 1.474 -4.565) 4.797 3.596 ( 0.000 8.663 2.874) 9.127 3.655 ( 0.000 -6.549 1.294) 6.675 3.740 ( 0.000 6.751 2.262) 7.120 3.878 ( 0.000 -5.690 5.802) 8.127 3.958 ( 0.000 -5.372 2.064) 5.755 4.209 ( 0.000 -3.589 -1.677) 3.962 4.248 ( 0.000 3.509 -4.552) 5.748 4.313 ( 0.000 -3.351 -4.648) 5.730 4.419 ( 0.000 -11.716 -5.996) 13.161 4.423 ( 0.000 4.208 0.741) 4.273 4.566 ( 0.000 -1.676 -2.052) 2.649 4.584 ( 0.000 0.210 0.306) 0.372 4.681 ( 0.000 -5.198 1.403) 5.384 4.695 ( 0.000 -3.896 0.145) 3.899 4.766 ( 0.000 -1.888 3.731) 4.182 4.782 ( 0.000 -0.226 -1.197) 1.218 4.837 ( 0.000 -2.351 0.523) 2.408 4.924 ( 0.000 0.829 3.969) 4.055 4.927 ( 0.000 -1.823 1.897) 2.631 4.977 ( 0.000 3.912 -2.361) 4.569 5.008 ( 0.000 3.121 -1.898) 3.653 5.034 ( 0.000 0.423 1.043) 1.126 5.156 ( 0.000 -2.883 -0.784) 2.988 5.159 ( 0.000 2.657 3.106) 4.087 5.267 ( 0.000 0.933 -3.738) 3.853 5.357 ( 0.000 -1.321 -1.482) 1.985 5.451 ( 0.000 -4.420 -1.890) 4.808 5.495 ( 0.000 -6.470 6.894) 9.455 5.608 ( 0.000 -3.485 0.118) 3.487 5.877 ( 0.000 8.075 -6.599) 10.429 6.040 ( 0.000 6.585 -7.293) 9.826 6.208 ( 0.000 0.229 3.027) 3.035 6.493 ( 0.000 -9.812 3.444) 10.399 7.908 ( 0.000 0.709 0.959) 1.193 7.972 ( 0.000 -0.032 1.648) 1.648 8.023 ( 0.000 0.083 1.175) 1.178 8.126 ( 0.000 -4.044 -0.569) 4.084 8.275 ( 0.000 0.813 -0.211) 0.840 8.313 ( 0.000 0.724 0.512) 0.887 8.347 ( 0.000 3.707 -0.879) 3.810 8.355 ( 0.000 3.676 -1.516) 3.976 8.392 ( 0.000 0.765 0.362) 0.846 8.419 ( 0.000 13.135 -13.884) 19.113 8.433 ( 0.000 5.197 -0.319) 5.206 8.763 ( 0.000 -1.707 -7.008) 7.213 9.159 ( 0.000 -0.403 3.763) 3.785 9.177 ( 0.000 -0.039 0.958) 0.959 9.276 ( 0.000 -1.579 4.918) 5.165 9.552 ( 0.000 -15.393 11.691) 19.329 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.17 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 6.520 8.113 13.281) 16.873 0.655 ( 9.356 10.340 10.985) 17.752 0.920 ( -9.197 5.165 6.405) 12.340 1.089 ( -9.798 4.299 2.958) 11.101 1.117 ( 9.690 15.083 20.933) 27.561 1.305 ( 2.520 3.624 1.569) 4.684 1.365 ( 3.460 -3.316 -0.773) 4.854 1.435 ( -0.748 -3.057 -0.964) 3.291 1.548 ( -2.225 0.999 -2.981) 3.852 1.610 ( -1.941 5.976 -2.234) 6.669 1.629 ( 5.079 3.560 -5.571) 8.337 1.746 ( -3.985 2.412 1.674) 4.950 1.811 ( -1.156 -4.372 0.401) 4.540 1.940 ( -1.593 -4.374 -2.499) 5.283 2.050 ( 3.700 -2.102 1.591) 4.543 2.199 ( -1.689 -3.881 0.288) 4.243 2.204 ( -2.366 6.152 -6.270) 9.097 2.302 ( -2.941 -3.706 -4.677) 6.653 2.396 ( -1.901 -0.771 -6.393) 6.714 2.509 ( 4.491 3.799 -2.442) 6.369 2.569 ( -2.190 4.375 0.316) 4.903 2.658 ( 3.446 3.781 -2.471) 5.681 2.781 ( -3.998 4.579 -2.421) 6.543 2.832 ( -4.618 0.259 1.193) 4.776 2.957 ( -0.413 1.588 6.485) 6.690 2.979 ( 0.907 -2.882 -1.420) 3.338 3.029 ( 0.453 0.087 4.518) 4.541 3.045 ( -5.222 2.930 -1.938) 6.294 3.126 ( 8.526 0.119 0.553) 8.544 3.171 ( 0.535 4.509 -1.149) 4.684 3.257 ( 0.948 1.923 3.435) 4.049 3.339 ( 5.484 2.153 2.985) 6.604 3.346 ( 0.666 -0.768 1.338) 1.680 3.469 ( -4.883 3.760 3.510) 7.092 3.528 ( -1.278 1.106 -2.480) 3.001 3.642 ( 2.176 -0.385 -4.026) 4.593 3.708 ( 2.408 -1.412 0.495) 2.835 3.744 ( -1.555 6.390 0.686) 6.612 3.914 ( 4.022 -7.121 4.853) 9.510 3.946 ( 0.983 -4.597 4.022) 6.187 4.155 ( -5.704 -1.168 -0.285) 5.830 4.201 ( -7.873 -8.106 -3.117) 11.722 4.314 ( 5.838 1.241 -7.106) 9.280 4.445 ( 3.185 3.251 -0.729) 4.609 4.473 ( 0.951 -7.219 -7.597) 10.523 4.549 ( -1.431 0.712 -1.065) 1.920 4.593 ( 0.934 -1.897 0.961) 2.323 4.640 ( -1.789 -4.580 2.104) 5.349 4.742 ( 1.936 -1.026 -1.457) 2.632 4.762 ( 0.009 -0.095 -0.875) 0.881 4.805 ( 2.303 -2.655 1.883) 3.987 4.851 ( 0.973 -1.803 -0.057) 2.050 4.913 ( -1.739 1.648 0.769) 2.516 4.946 ( -0.685 0.353 5.526) 5.580 4.970 ( -2.229 0.989 -0.174) 2.445 4.987 ( 1.587 -3.129 -1.036) 3.658 5.029 ( -1.604 1.220 2.809) 3.457 5.053 ( -0.305 1.839 -1.033) 2.131 5.260 ( -0.142 -0.276 -3.157) 3.172 5.311 ( 6.905 -0.377 0.484) 6.933 5.351 ( -2.553 -4.494 -0.255) 5.175 5.426 ( -0.338 -0.905 1.060) 1.434 5.513 ( 1.168 -6.624 1.671) 6.931 5.590 ( -1.879 -3.826 -0.780) 4.333 5.889 ( 1.385 8.403 -6.500) 10.713 5.993 ( -3.842 7.918 -6.097) 10.707 6.254 ( 4.025 -1.056 2.160) 4.688 6.432 ( -5.239 -6.146 3.576) 8.832 7.918 ( 1.014 0.625 1.066) 1.598 7.963 ( -0.908 0.087 1.551) 1.799 8.028 ( 0.568 0.182 1.103) 1.254 8.083 ( -2.797 -0.290 0.218) 2.820 8.285 ( 1.027 0.964 -0.262) 1.433 8.317 ( 0.233 0.666 0.332) 0.780 8.343 ( -0.601 1.886 -0.231) 1.992 8.364 ( -0.653 0.819 0.854) 1.351 8.372 ( 0.580 4.541 -1.691) 4.881 8.407 ( -0.676 3.599 0.132) 3.664 8.558 ( 8.650 5.802 -14.318) 17.706 8.747 ( -1.843 -1.254 -8.519) 8.806 9.165 ( 0.591 -0.435 3.625) 3.699 9.178 ( 0.036 -0.150 1.390) 1.399 9.287 ( 1.478 -1.972 6.015) 6.500 9.461 ( -7.573 -9.472 12.250) 17.237 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.17 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -11.148 4.944 10.113) 15.843 0.722 ( 11.148 4.944 10.113) 15.843 0.862 ( -12.369 7.547 6.365) 15.826 0.862 ( 12.369 7.547 6.365) 15.826 1.325 ( -6.604 5.124 5.633) 10.079 1.325 ( 6.604 5.124 5.633) 10.079 1.404 ( -6.921 -0.175 4.775) 8.410 1.404 ( 6.921 -0.175 4.775) 8.410 1.513 ( -2.500 4.303 0.088) 4.977 1.513 ( 2.500 4.303 0.088) 4.977 1.704 ( -3.236 2.785 -6.419) 7.709 1.704 ( 3.236 2.785 -6.419) 7.709 1.865 ( -5.808 -5.578 0.352) 8.060 1.865 ( 5.808 -5.578 0.352) 8.060 2.122 ( -4.211 2.329 0.020) 4.812 2.122 ( 4.211 2.329 0.020) 4.812 2.232 ( -3.548 -3.599 -6.732) 8.418 2.232 ( 3.548 -3.599 -6.732) 8.418 2.443 ( -5.671 -0.206 -3.648) 6.746 2.443 ( 5.671 -0.206 -3.648) 6.746 2.666 ( -6.386 7.260 -1.881) 9.850 2.666 ( 6.386 7.260 -1.881) 9.850 2.751 ( -3.853 2.690 -1.168) 4.842 2.751 ( 3.853 2.690 -1.168) 4.842 2.952 ( -2.756 0.969 0.656) 2.994 2.952 ( 2.756 0.969 0.656) 2.994 3.029 ( -1.158 -1.391 4.773) 5.104 3.029 ( 1.158 -1.391 4.773) 5.104 3.189 ( -1.775 2.342 -0.186) 2.945 3.189 ( 1.775 2.342 -0.186) 2.945 3.326 ( -5.548 2.825 3.590) 7.187 3.326 ( 5.548 2.825 3.590) 7.187 3.394 ( -2.649 0.479 0.745) 2.793 3.394 ( 2.649 0.479 0.745) 2.793 3.589 ( -6.588 -1.680 1.281) 6.919 3.589 ( 6.588 -1.680 1.281) 6.919 3.724 ( -0.651 4.768 -2.167) 5.278 3.724 ( 0.651 4.768 -2.167) 5.278 3.998 ( -3.325 -5.902 2.996) 7.407 3.998 ( 3.325 -5.902 2.996) 7.407 4.073 ( -4.284 -5.069 0.255) 6.642 4.073 ( 4.284 -5.069 0.255) 6.642 4.423 ( -5.202 -2.495 -7.780) 9.686 4.423 ( 5.202 -2.495 -7.780) 9.686 4.514 ( -3.266 1.678 -2.032) 4.196 4.514 ( 3.266 1.678 -2.032) 4.196 4.613 ( -1.246 -2.954 1.710) 3.634 4.613 ( 1.246 -2.954 1.710) 3.634 4.764 ( -0.655 0.413 -1.061) 1.314 4.764 ( 0.655 0.413 -1.061) 1.314 4.843 ( -2.180 0.556 -1.355) 2.627 4.843 ( 2.180 0.556 -1.355) 2.627 4.898 ( -2.572 -2.207 1.460) 3.690 4.898 ( 2.572 -2.207 1.460) 3.690 4.979 ( -1.663 0.344 4.168) 4.501 4.979 ( 1.663 0.344 4.168) 4.501 5.053 ( -1.524 -1.912 -0.065) 2.446 5.053 ( 1.524 -1.912 -0.065) 2.446 5.281 ( -3.105 -1.203 -1.224) 3.547 5.281 ( 3.105 -1.203 -1.224) 3.547 5.406 ( -3.066 -1.713 2.237) 4.164 5.406 ( 3.066 -1.713 2.237) 4.164 5.547 ( -2.516 -5.008 -1.870) 5.908 5.547 ( 2.516 -5.008 -1.870) 5.908 5.929 ( -2.900 8.703 -6.110) 11.022 5.929 ( 2.900 8.703 -6.110) 11.022 6.337 ( -4.920 -2.920 2.641) 6.302 6.337 ( 4.920 -2.920 2.641) 6.302 7.941 ( -1.354 0.373 1.316) 1.925 7.941 ( 1.354 0.373 1.316) 1.925 8.045 ( -1.415 0.351 0.884) 1.705 8.045 ( 1.415 0.351 0.884) 1.705 8.307 ( -1.205 1.052 -0.262) 1.621 8.307 ( 1.205 1.052 -0.262) 1.621 8.345 ( -0.863 1.357 0.199) 1.621 8.345 ( 0.863 1.357 0.199) 1.621 8.391 ( -1.034 3.215 0.305) 3.391 8.391 ( 1.034 3.215 0.305) 3.391 8.686 ( -5.082 0.683 -12.144) 13.182 8.686 ( 5.082 0.683 -12.144) 13.182 9.175 ( -0.376 -0.364 2.577) 2.630 9.175 ( 0.376 -0.364 2.577) 2.630 9.342 ( -4.797 -3.949 9.446) 11.306 9.342 ( 4.797 -3.949 9.446) 11.306 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.33 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.000 13.334 8.191) 15.649 0.830 ( 0.000 14.178 6.276) 15.505 1.138 ( 0.000 3.049 5.717) 6.479 1.206 ( 0.000 -1.702 -0.996) 1.972 1.298 ( 0.000 -8.743 2.455) 9.081 1.304 ( 0.000 0.650 1.418) 1.559 1.377 ( 0.000 8.646 0.752) 8.679 1.444 ( 0.000 17.660 17.821) 25.089 1.460 ( 0.000 -7.222 -3.546) 8.046 1.645 ( 0.000 -2.174 8.530) 8.803 1.728 ( 0.000 5.202 -7.544) 9.164 1.799 ( 0.000 4.907 -9.012) 10.261 1.846 ( 0.000 -8.017 2.375) 8.361 1.876 ( 0.000 1.694 -0.433) 1.749 1.911 ( 0.000 -1.440 2.693) 3.054 2.109 ( 0.000 -8.130 -3.196) 8.736 2.331 ( 0.000 4.061 -6.545) 7.702 2.370 ( 0.000 2.565 -4.544) 5.218 2.477 ( 0.000 5.443 1.973) 5.789 2.563 ( 0.000 5.859 -2.630) 6.422 2.682 ( 0.000 -0.680 -6.274) 6.311 2.691 ( 0.000 6.213 1.637) 6.425 2.783 ( 0.000 -0.498 1.356) 1.445 2.865 ( 0.000 -3.677 -3.171) 4.856 2.963 ( 0.000 4.989 -6.438) 8.145 2.991 ( 0.000 0.340 3.824) 3.839 3.012 ( 0.000 -2.885 5.644) 6.339 3.092 ( 0.000 3.495 -0.434) 3.521 3.159 ( 0.000 -3.665 -8.602) 9.350 3.246 ( 0.000 5.246 -7.970) 9.542 3.269 ( 0.000 5.386 -6.007) 8.068 3.385 ( 0.000 1.831 7.553) 7.772 3.411 ( 0.000 7.820 8.358) 11.446 3.448 ( 0.000 -7.780 1.942) 8.019 3.484 ( 0.000 -2.857 -4.616) 5.428 3.604 ( 0.000 -0.480 -4.398) 4.424 3.743 ( 0.000 -4.966 10.008) 11.172 3.790 ( 0.000 5.350 2.737) 6.010 3.869 ( 0.000 0.187 5.649) 5.652 3.930 ( 0.000 6.857 6.716) 9.598 4.082 ( 0.000 -7.648 -0.535) 7.667 4.125 ( 0.000 -11.864 -7.120) 13.837 4.245 ( 0.000 -2.513 0.299) 2.530 4.261 ( 0.000 -3.670 -3.782) 5.270 4.533 ( 0.000 6.000 0.699) 6.041 4.564 ( 0.000 3.867 -0.196) 3.872 4.586 ( 0.000 -3.775 3.039) 4.846 4.603 ( 0.000 -4.151 1.502) 4.414 4.640 ( 0.000 2.236 -0.776) 2.367 4.732 ( 0.000 -1.806 2.832) 3.359 4.773 ( 0.000 -3.746 1.081) 3.898 4.787 ( 0.000 -0.089 -1.546) 1.549 4.868 ( 0.000 -3.032 1.686) 3.469 4.921 ( 0.000 -1.107 4.911) 5.035 5.005 ( 0.000 -0.925 -3.958) 4.065 5.019 ( 0.000 -1.860 1.483) 2.379 5.029 ( 0.000 -0.065 0.694) 0.697 5.085 ( 0.000 -2.993 -1.266) 3.250 5.223 ( 0.000 2.919 0.499) 2.962 5.285 ( 0.000 -0.129 -4.110) 4.112 5.345 ( 0.000 0.190 -3.274) 3.280 5.375 ( 0.000 -2.238 -5.488) 5.927 5.448 ( 0.000 0.856 3.596) 3.696 5.546 ( 0.000 -2.755 1.909) 3.352 6.032 ( 0.000 6.485 -4.293) 7.777 6.120 ( 0.000 1.853 -4.640) 4.996 6.214 ( 0.000 0.523 -0.085) 0.530 6.341 ( 0.000 -5.649 -0.077) 5.649 7.932 ( 0.000 1.645 0.685) 1.782 7.978 ( 0.000 0.655 1.738) 1.857 8.017 ( 0.000 -0.683 1.520) 1.667 8.044 ( 0.000 -3.655 -0.072) 3.656 8.289 ( 0.000 0.653 0.736) 0.984 8.312 ( 0.000 -0.281 1.107) 1.142 8.361 ( 0.000 0.274 1.321) 1.349 8.376 ( 0.000 -0.300 0.752) 0.810 8.482 ( 0.000 6.217 -3.128) 6.960 8.551 ( 0.000 5.598 -2.019) 5.951 8.622 ( 0.000 4.268 -12.246) 12.969 8.710 ( 0.000 -3.312 -5.542) 6.456 9.158 ( 0.000 0.562 3.119) 3.169 9.181 ( 0.000 0.609 2.055) 2.143 9.233 ( 0.000 -2.343 3.957) 4.599 9.317 ( 0.000 -7.634 9.791) 12.415 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.33 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 2.456 11.982 8.871) 15.109 0.901 ( 6.735 13.063 5.472) 15.683 1.030 ( -8.915 5.092 6.980) 12.415 1.190 ( -4.753 2.922 1.494) 5.776 1.255 ( -1.978 -6.982 2.660) 7.729 1.282 ( -3.074 -3.822 2.279) 5.408 1.398 ( 3.338 3.726 0.150) 5.005 1.472 ( 1.919 -4.440 -1.516) 5.069 1.517 ( 5.793 12.565 9.873) 16.997 1.655 ( -1.042 -5.687 2.849) 6.446 1.720 ( -0.625 7.417 -4.310) 8.601 1.801 ( 1.411 6.611 -4.793) 8.287 1.814 ( -3.440 0.207 -2.418) 4.210 1.910 ( 0.601 -1.480 4.631) 4.899 1.922 ( 3.347 -4.905 3.668) 6.980 2.072 ( -3.286 -7.738 -1.651) 8.567 2.346 ( -1.666 4.658 -5.989) 7.768 2.349 ( 1.317 4.499 -6.854) 8.304 2.434 ( -3.450 5.578 -2.151) 6.902 2.530 ( -3.574 0.640 0.214) 3.637 2.701 ( 4.314 4.505 1.896) 6.519 2.741 ( 4.066 6.464 -8.817) 11.664 2.819 ( 1.170 1.027 6.394) 6.581 2.872 ( 1.389 0.072 -4.674) 4.877 2.954 ( -0.738 3.133 -5.654) 6.506 2.996 ( 0.046 -1.465 6.657) 6.816 3.014 ( -2.115 0.253 -0.566) 2.204 3.084 ( -6.380 0.246 -7.178) 9.607 3.136 ( 6.168 0.127 1.918) 6.460 3.203 ( 0.224 -0.685 -8.154) 8.186 3.318 ( -0.920 6.772 -4.546) 8.208 3.389 ( -1.750 3.700 3.902) 5.655 3.403 ( -0.086 -4.365 1.106) 4.504 3.446 ( -1.635 -8.415 -3.445) 9.239 3.481 ( 3.811 4.043 7.341) 9.206 3.636 ( 0.633 -3.527 0.416) 3.608 3.737 ( -0.142 6.634 5.022) 8.321 3.799 ( 2.375 -3.059 5.534) 6.755 3.867 ( -0.538 -2.183 4.392) 4.934 3.926 ( -1.045 5.995 5.496) 8.200 4.019 ( -2.715 -4.827 -0.808) 5.597 4.145 ( -4.704 -0.472 1.042) 4.841 4.224 ( 3.512 -9.551 -5.269) 11.459 4.294 ( 1.206 -6.250 -3.279) 7.160 4.545 ( 1.201 3.409 -0.261) 3.624 4.570 ( 0.611 2.356 -0.835) 2.573 4.581 ( 0.957 1.059 0.439) 1.494 4.625 ( -0.725 1.601 0.950) 1.998 4.677 ( 4.767 -3.810 -0.271) 6.108 4.749 ( 1.384 -2.015 2.931) 3.816 4.757 ( -0.533 -2.619 -0.498) 2.718 4.822 ( 2.605 -0.377 -0.269) 2.646 4.874 ( -1.924 -5.457 -0.965) 5.866 4.905 ( -0.852 -1.443 5.397) 5.652 4.962 ( -2.468 -0.767 2.241) 3.421 4.993 ( 0.105 1.325 -1.186) 1.781 5.020 ( -1.726 -1.143 0.895) 2.255 5.103 ( -1.067 0.753 -2.468) 2.792 5.190 ( -1.058 -3.247 2.048) 3.982 5.249 ( -3.107 -2.535 -3.903) 5.596 5.373 ( 2.552 1.961 -2.927) 4.350 5.422 ( 3.115 -0.599 -2.734) 4.187 5.443 ( -0.283 0.291 1.627) 1.677 5.530 ( -1.700 -2.418 0.991) 3.118 6.046 ( 1.435 6.478 -4.354) 7.935 6.110 ( -1.177 3.932 -4.783) 6.303 6.227 ( 1.474 -1.438 0.055) 2.059 6.317 ( -2.344 -4.957 -0.156) 5.485 7.940 ( 0.788 1.528 0.837) 1.912 7.972 ( -0.586 0.830 1.584) 1.882 8.020 ( 0.349 -0.903 1.384) 1.689 8.039 ( -0.467 -2.871 0.333) 2.927 8.300 ( 1.142 0.676 0.704) 1.502 8.322 ( 0.862 -0.106 0.988) 1.316 8.354 ( -0.801 0.220 1.209) 1.467 8.368 ( -0.866 -0.264 0.867) 1.254 8.488 ( 0.675 6.298 -2.922) 6.976 8.533 ( -1.476 6.218 -2.465) 6.849 8.648 ( 2.168 1.784 -10.816) 11.174 8.704 ( -0.644 -2.915 -6.434) 7.093 9.163 ( 0.479 0.466 3.171) 3.241 9.179 ( -0.198 0.499 2.285) 2.347 9.238 ( 0.562 -2.580 4.517) 5.232 9.294 ( -2.061 -6.087 8.845) 10.933 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.33 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -8.001 8.331 8.982) 14.632 0.865 ( 8.001 8.331 8.982) 14.632 1.051 ( -8.870 10.417 3.625) 14.154 1.051 ( 8.870 10.417 3.625) 14.154 1.243 ( -0.714 -8.452 2.706) 8.904 1.243 ( 0.714 -8.452 2.706) 8.904 1.470 ( -3.177 -1.158 -1.862) 3.860 1.470 ( 3.177 -1.158 -1.862) 3.860 1.610 ( -4.191 2.036 1.114) 4.791 1.610 ( 4.191 2.036 1.114) 4.791 1.734 ( -3.761 6.294 -0.219) 7.335 1.734 ( 3.761 6.294 -0.219) 7.335 1.869 ( -4.057 2.552 2.103) 5.234 1.869 ( 4.057 2.552 2.103) 5.234 2.004 ( -4.209 -7.731 1.901) 9.005 2.004 ( 4.209 -7.731 1.901) 9.005 2.340 ( -1.273 7.758 -7.218) 10.672 2.340 ( 1.273 7.758 -7.218) 10.672 2.447 ( -4.471 0.623 -2.094) 4.976 2.447 ( 4.471 0.623 -2.094) 4.976 2.789 ( -4.018 3.710 4.132) 6.855 2.789 ( 4.018 3.710 4.132) 6.855 2.842 ( -5.206 7.586 -7.007) 11.565 2.842 ( 5.206 7.586 -7.007) 11.565 2.973 ( -3.852 -0.946 -4.978) 6.365 2.973 ( 3.852 -0.946 -4.978) 6.365 2.996 ( -1.103 -0.569 3.552) 3.762 2.996 ( 1.103 -0.569 3.552) 3.762 3.232 ( -0.676 -3.140 -5.352) 6.241 3.232 ( 0.676 -3.140 -5.352) 6.241 3.305 ( -3.993 3.510 -1.379) 5.492 3.305 ( 3.993 3.510 -1.379) 5.492 3.419 ( -1.299 -4.989 1.854) 5.478 3.419 ( 1.299 -4.989 1.854) 5.478 3.579 ( -5.392 2.575 5.787) 8.318 3.579 ( 5.392 2.575 5.787) 8.318 3.786 ( -4.054 -2.538 0.761) 4.843 3.786 ( 4.054 -2.538 0.761) 4.843 3.890 ( -3.421 1.147 6.541) 7.470 3.890 ( 3.421 1.147 6.541) 7.470 4.039 ( -4.988 1.415 1.124) 5.305 4.039 ( 4.988 1.415 1.124) 5.305 4.287 ( -2.174 -8.560 -3.849) 9.634 4.287 ( 2.174 -8.560 -3.849) 9.634 4.570 ( -1.047 2.447 -1.474) 3.042 4.570 ( 1.047 2.447 -1.474) 3.042 4.604 ( -1.323 2.203 -0.121) 2.573 4.604 ( 1.323 2.203 -0.121) 2.573 4.748 ( -0.953 -2.100 -0.595) 2.382 4.748 ( 0.953 -2.100 -0.595) 2.382 4.788 ( -4.693 -5.335 -0.502) 7.124 4.788 ( 4.693 -5.335 -0.502) 7.124 4.882 ( -3.114 0.414 1.869) 3.655 4.882 ( 3.114 0.414 1.869) 3.655 4.961 ( -2.818 -2.124 3.352) 4.867 4.961 ( 2.818 -2.124 3.352) 4.867 5.047 ( -3.907 2.102 -0.622) 4.480 5.047 ( 3.907 2.102 -0.622) 4.480 5.202 ( -1.748 -5.066 -0.664) 5.400 5.202 ( 1.748 -5.066 -0.664) 5.400 5.416 ( -1.859 1.829 -0.900) 2.759 5.416 ( 1.859 1.829 -0.900) 2.759 5.487 ( -2.918 -1.761 -0.931) 3.533 5.487 ( 2.918 -1.761 -0.931) 3.533 6.079 ( -1.950 5.999 -4.559) 7.783 6.079 ( 1.950 5.999 -4.559) 7.783 6.267 ( -2.755 -3.633 -0.137) 4.562 6.267 ( 2.755 -3.633 -0.137) 4.562 7.957 ( -0.970 1.207 1.210) 1.965 7.957 ( 0.970 1.207 1.210) 1.965 8.029 ( -0.576 -1.632 0.978) 1.988 8.029 ( 0.576 -1.632 0.978) 1.988 8.324 ( -1.169 0.727 0.637) 1.517 8.324 ( 1.169 0.727 0.637) 1.517 8.349 ( -0.922 -0.355 1.177) 1.536 8.349 ( 0.922 -0.355 1.177) 1.536 8.507 ( -1.313 6.359 -2.556) 6.978 8.507 ( 1.313 6.359 -2.556) 6.978 8.684 ( -1.603 -1.324 -8.610) 8.858 8.684 ( 1.603 -1.324 -8.610) 8.858 9.173 ( -0.514 0.363 2.868) 2.936 9.173 ( 0.514 0.363 2.868) 2.936 9.257 ( -1.656 -3.716 6.480) 7.652 9.257 ( 1.656 -3.716 6.480) 7.652 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 -0.50 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.000 -11.534 4.088) 12.237 1.027 ( 0.000 11.534 4.088) 12.237 1.119 ( 0.000 -9.959 0.884) 9.998 1.119 ( 0.000 9.959 0.884) 9.998 1.207 ( 0.000 -0.123 1.058) 1.065 1.207 ( 0.000 0.123 1.058) 1.065 1.481 ( 0.000 -6.144 5.860) 8.490 1.481 ( 0.000 6.144 5.860) 8.490 1.599 ( 0.000 -11.345 2.858) 11.700 1.599 ( 0.000 11.345 2.858) 11.700 1.798 ( 0.000 -10.090 9.409) 13.796 1.798 ( 0.000 10.090 9.409) 13.796 1.878 ( 0.000 -3.233 -4.239) 5.331 1.878 ( 0.000 3.233 -4.239) 5.331 1.931 ( 0.000 -7.701 -5.002) 9.182 1.931 ( 0.000 7.701 -5.002) 9.182 2.381 ( 0.000 -1.167 -5.805) 5.921 2.381 ( 0.000 1.167 -5.805) 5.921 2.586 ( 0.000 -5.539 3.693) 6.657 2.586 ( 0.000 5.539 3.693) 6.657 2.719 ( 0.000 -6.421 -11.846) 13.474 2.719 ( 0.000 6.421 -11.846) 13.474 2.861 ( 0.000 -9.953 3.963) 10.713 2.861 ( 0.000 9.953 3.963) 10.713 2.924 ( 0.000 -5.681 0.381) 5.694 2.924 ( 0.000 5.681 0.381) 5.694 3.071 ( 0.000 -4.338 -9.484) 10.429 3.071 ( 0.000 4.338 -9.484) 10.429 3.228 ( 0.000 -9.075 5.017) 10.370 3.228 ( 0.000 9.075 5.017) 10.370 3.347 ( 0.000 -0.799 -6.566) 6.615 3.347 ( 0.000 0.799 -6.566) 6.615 3.430 ( 0.000 -0.118 -3.209) 3.211 3.430 ( 0.000 0.118 -3.209) 3.211 3.547 ( 0.000 -5.180 4.017) 6.555 3.547 ( 0.000 5.180 4.017) 6.555 3.745 ( 0.000 -4.614 7.685) 8.964 3.745 ( 0.000 4.614 7.685) 8.964 3.947 ( 0.000 -2.406 0.392) 2.438 3.947 ( 0.000 2.406 0.392) 2.438 4.012 ( 0.000 -1.456 4.190) 4.436 4.012 ( 0.000 1.456 4.190) 4.436 4.213 ( 0.000 -0.013 -0.206) 0.206 4.213 ( 0.000 0.013 -0.206) 0.206 4.545 ( 0.000 -0.506 2.313) 2.368 4.545 ( 0.000 0.506 2.313) 2.368 4.652 ( 0.000 -2.659 -0.573) 2.720 4.652 ( 0.000 2.659 -0.573) 2.720 4.670 ( 0.000 -4.661 0.283) 4.670 4.670 ( 0.000 4.661 0.283) 4.670 4.722 ( 0.000 -1.814 3.036) 3.537 4.722 ( 0.000 1.814 3.036) 3.537 4.886 ( 0.000 -2.614 -2.068) 3.333 4.886 ( 0.000 2.614 -2.068) 3.333 4.982 ( 0.000 -0.256 2.634) 2.646 4.982 ( 0.000 0.256 2.634) 2.646 5.040 ( 0.000 -1.201 -1.077) 1.614 5.040 ( 0.000 1.201 -1.077) 1.614 5.268 ( 0.000 -1.443 -2.660) 3.027 5.268 ( 0.000 1.443 -2.660) 3.027 5.353 ( 0.000 -0.441 -5.054) 5.073 5.353 ( 0.000 0.441 -5.054) 5.073 5.491 ( 0.000 -2.612 2.545) 3.647 5.491 ( 0.000 2.612 2.545) 3.647 6.124 ( 0.000 -1.857 -2.146) 2.838 6.124 ( 0.000 1.857 -2.146) 2.838 6.246 ( 0.000 -3.165 -2.609) 4.102 6.246 ( 0.000 3.165 -2.609) 4.102 7.977 ( 0.000 -2.683 0.314) 2.701 7.977 ( 0.000 2.683 0.314) 2.701 7.997 ( 0.000 -1.072 1.743) 2.046 7.997 ( 0.000 1.072 1.743) 2.046 8.303 ( 0.000 -0.622 1.107) 1.270 8.303 ( 0.000 0.622 1.107) 1.270 8.369 ( 0.000 -0.394 0.928) 1.008 8.369 ( 0.000 0.394 0.928) 1.008 8.604 ( 0.000 -4.927 -5.202) 7.165 8.604 ( 0.000 4.927 -5.202) 7.165 8.645 ( 0.000 -3.153 -4.637) 5.608 8.645 ( 0.000 3.153 -4.637) 5.608 9.185 ( 0.000 -1.918 2.785) 3.382 9.185 ( 0.000 1.918 2.785) 3.382 9.214 ( 0.000 -2.752 5.173) 5.859 9.214 ( 0.000 2.752 5.173) 5.859 ======================= Grid point 52 (23/60) ======================= q-point: ( 0.25 -0.50 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.009 -11.663 4.868) 12.638 1.019 ( -0.009 11.663 4.868) 12.638 1.129 ( -2.689 -2.422 4.146) 5.503 1.129 ( -2.689 2.422 4.146) 5.503 1.192 ( 2.398 -9.974 -0.528) 10.271 1.192 ( 2.398 9.974 -0.528) 10.271 1.402 ( -6.060 -7.002 2.916) 9.709 1.402 ( -6.060 7.002 2.916) 9.709 1.666 ( 4.796 -8.678 0.334) 9.920 1.666 ( 4.796 8.678 0.334) 9.920 1.808 ( -0.713 -8.132 7.036) 10.777 1.808 ( -0.713 8.132 7.036) 10.777 1.866 ( 0.115 -3.113 -2.509) 4.000 1.866 ( 0.115 3.113 -2.509) 4.000 1.928 ( -0.346 -3.792 -0.270) 3.817 1.928 ( -0.346 3.792 -0.270) 3.817 2.392 ( 1.564 -0.290 -5.910) 6.120 2.392 ( 1.564 0.290 -5.910) 6.120 2.530 ( -4.584 -2.029 -0.646) 5.055 2.530 ( -4.584 2.029 -0.646) 5.055 2.789 ( 5.948 -2.689 -6.782) 9.413 2.789 ( 5.948 2.689 -6.782) 9.413 2.900 ( 2.760 -7.743 3.154) 8.805 2.900 ( 2.760 7.743 3.154) 8.805 2.931 ( 0.961 -5.715 -0.024) 5.795 2.931 ( 0.961 5.715 -0.024) 5.795 3.043 ( -2.691 -3.380 -8.997) 9.980 3.043 ( -2.691 3.380 -8.997) 9.980 3.215 ( -1.370 -7.691 2.124) 8.095 3.215 ( -1.370 7.691 2.124) 8.095 3.289 ( -4.116 -6.845 -4.889) 9.365 3.289 ( -4.116 6.845 -4.889) 9.365 3.454 ( 1.545 -4.271 -1.301) 4.725 3.454 ( 1.545 4.271 -1.301) 4.725 3.533 ( -1.695 -5.385 3.790) 6.800 3.533 ( -1.695 5.385 3.790) 6.800 3.774 ( 3.261 -3.716 5.591) 7.463 3.774 ( 3.261 3.716 5.591) 7.463 3.931 ( -3.075 -6.462 6.117) 9.414 3.931 ( -3.075 6.462 6.117) 9.414 4.044 ( 4.094 -4.965 -0.076) 6.435 4.044 ( 4.094 4.965 -0.076) 6.435 4.191 ( -2.320 -3.722 0.197) 4.390 4.191 ( -2.320 3.722 0.197) 4.390 4.571 ( 2.824 -2.651 0.950) 3.988 4.571 ( 2.824 2.651 0.950) 3.988 4.654 ( -0.019 -1.888 -0.646) 1.995 4.654 ( -0.019 1.888 -0.646) 1.995 4.678 ( 0.589 -3.963 -0.274) 4.015 4.678 ( 0.589 3.963 -0.274) 4.015 4.731 ( -0.032 -3.259 1.955) 3.800 4.731 ( -0.032 3.259 1.955) 3.800 4.878 ( 0.127 -2.041 -0.296) 2.066 4.878 ( 0.127 2.041 -0.296) 2.066 4.961 ( -1.995 -1.639 2.303) 3.460 4.961 ( -1.995 1.639 2.303) 3.460 5.054 ( 1.706 -3.029 -0.835) 3.575 5.054 ( 1.706 3.029 -0.835) 3.575 5.201 ( -5.246 -2.093 -2.829) 6.317 5.201 ( -5.246 2.093 -2.829) 6.317 5.402 ( 3.383 -1.031 -3.097) 4.700 5.402 ( 3.383 1.031 -3.097) 4.700 5.482 ( -0.973 -2.317 1.328) 2.842 5.482 ( -0.973 2.317 1.328) 2.842 6.142 ( 1.861 -2.052 -2.276) 3.585 6.142 ( 1.861 2.052 -2.276) 3.585 6.228 ( -1.875 -2.976 -2.590) 4.368 6.228 ( -1.875 2.976 -2.590) 4.368 7.982 ( 0.429 -2.435 0.557) 2.535 7.982 ( 0.429 2.435 0.557) 2.535 7.996 ( -0.175 -1.304 1.567) 2.046 7.996 ( -0.175 1.304 1.567) 2.046 8.314 ( 1.124 -0.584 1.068) 1.657 8.314 ( 1.124 0.584 1.068) 1.657 8.360 ( -0.875 -0.397 0.948) 1.349 8.360 ( -0.875 0.397 0.948) 1.349 8.609 ( 0.579 -4.825 -5.097) 7.042 8.609 ( 0.579 4.825 -5.097) 7.042 8.639 ( -0.691 -3.580 -4.703) 5.951 8.639 ( -0.691 3.580 -4.703) 5.951 9.188 ( 0.328 -1.884 3.101) 3.644 9.188 ( 0.328 1.884 3.101) 3.644 9.208 ( -0.541 -2.428 4.788) 5.396 9.208 ( -0.541 2.428 4.788) 5.396 ======================= Grid point 54 (24/60) ======================= q-point: (-0.50 -0.50 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -3.580 -9.261 5.763) 11.480 1.051 ( 3.445 -9.248 5.763) 11.428 1.051 ( -3.445 9.248 5.763) 11.428 1.051 ( 3.580 9.261 5.763) 11.480 1.287 ( -6.173 -11.311 -0.273) 12.888 1.287 ( 5.832 -11.265 -0.273) 12.688 1.287 ( -5.832 11.265 -0.273) 12.688 1.287 ( 6.173 11.311 -0.273) 12.888 1.749 ( -4.305 -6.546 -0.890) 7.886 1.749 ( 4.304 -6.546 -0.890) 7.885 1.749 ( -4.304 6.546 -0.890) 7.885 1.749 ( 4.305 6.546 -0.890) 7.886 1.904 ( -2.419 -2.440 3.860) 5.168 1.904 ( 2.190 -2.385 3.860) 5.038 1.904 ( -2.190 2.385 3.860) 5.038 1.904 ( 2.419 2.440 3.860) 5.168 2.446 ( -3.922 -1.704 -4.251) 6.029 2.446 ( -2.137 -0.446 -4.251) 4.779 2.446 ( 2.137 0.446 -4.251) 4.779 2.446 ( 3.922 1.704 -4.251) 6.029 2.889 ( -2.831 -5.233 0.402) 5.963 2.889 ( 0.899 -5.058 0.402) 5.153 2.889 ( -0.899 5.058 0.402) 5.153 2.889 ( 2.831 5.233 0.402) 5.963 2.982 ( -3.277 -4.161 -6.056) 8.045 2.982 ( 1.411 -3.889 -6.056) 7.335 2.982 ( -1.411 3.889 -6.056) 7.335 2.982 ( 3.277 4.161 -6.056) 8.045 3.222 ( -2.625 -5.784 -1.624) 6.556 3.222 ( 2.406 -5.760 -1.624) 6.450 3.222 ( -2.406 5.760 -1.624) 6.450 3.222 ( 2.625 5.784 -1.624) 6.556 3.491 ( -2.072 -7.948 1.691) 8.386 3.491 ( 1.736 -7.928 1.691) 8.290 3.491 ( -1.736 7.928 1.691) 8.290 3.491 ( 2.072 7.948 1.691) 8.386 3.852 ( -4.769 -5.360 5.643) 9.128 3.852 ( 4.556 -5.314 5.643) 8.991 3.852 ( -4.556 5.314 5.643) 8.991 3.852 ( 4.769 5.360 5.643) 9.128 4.129 ( -4.361 -6.287 0.563) 7.672 4.129 ( 4.349 -6.285 0.563) 7.664 4.129 ( -4.349 6.285 0.563) 7.664 4.129 ( 4.361 6.287 0.563) 7.672 4.634 ( -2.840 -3.358 -0.543) 4.431 4.634 ( 2.691 -3.327 -0.543) 4.314 4.634 ( -2.691 3.327 -0.543) 4.314 4.634 ( 2.840 3.358 -0.543) 4.431 4.697 ( -2.043 -1.122 -0.381) 2.362 4.697 ( -0.091 -0.466 -0.381) 0.608 4.697 ( 0.091 0.466 -0.381) 0.608 4.697 ( 2.043 1.122 -0.381) 2.362 4.915 ( -2.393 -2.126 2.057) 3.805 4.915 ( -0.421 -1.770 2.057) 2.746 4.915 ( 0.421 1.770 2.057) 2.746 4.915 ( 2.393 2.126 2.057) 3.805 5.109 ( -4.029 -3.628 -1.362) 5.590 5.109 ( 1.905 -3.163 -1.362) 3.936 5.109 ( -1.905 3.163 -1.362) 3.936 5.109 ( 4.029 3.628 -1.362) 5.590 5.454 ( -2.158 -1.681 -0.953) 2.897 5.454 ( 2.116 -1.668 -0.953) 2.858 5.454 ( -2.116 1.668 -0.953) 2.858 5.454 ( 2.158 1.681 -0.953) 2.897 6.185 ( -1.888 -4.315 -2.487) 5.327 6.185 ( 0.834 -4.231 -2.487) 4.979 6.185 ( -0.834 4.231 -2.487) 4.979 6.185 ( 1.888 4.315 -2.487) 5.327 7.990 ( -0.418 -1.887 1.095) 2.221 7.990 ( 0.415 -1.887 1.095) 2.221 7.990 ( -0.415 1.887 1.095) 2.221 7.990 ( 0.418 1.887 1.095) 2.221 8.339 ( -1.344 -0.579 1.000) 1.773 8.339 ( -0.716 -0.110 1.000) 1.235 8.339 ( 0.716 0.110 1.000) 1.235 8.339 ( 1.344 0.579 1.000) 1.773 8.623 ( -0.877 -4.512 -4.880) 6.704 8.623 ( 0.864 -4.512 -4.880) 6.702 8.623 ( -0.864 4.512 -4.880) 6.702 8.623 ( 0.877 4.512 -4.880) 6.704 9.197 ( -0.585 -2.039 3.910) 4.449 9.197 ( 0.573 -2.039 3.910) 4.447 9.197 ( -0.573 2.039 3.910) 4.447 9.197 ( 0.585 2.039 3.910) 4.449 ======================= Grid point 70 (25/60) ======================= 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 0.000 17.894) 17.894 0.752 ( 0.000 0.000 18.361) 18.361 0.944 ( 0.000 0.000 0.505) 0.505 1.234 ( 0.000 0.000 -2.176) 2.176 1.274 ( 0.000 0.000 -0.526) 0.526 1.302 ( 0.000 0.000 -7.078) 7.078 1.340 ( 0.000 0.000 -3.069) 3.069 1.343 ( 0.000 0.000 0.079) 0.079 1.489 ( 0.000 0.000 16.300) 16.300 1.553 ( 0.000 0.000 13.810) 13.810 1.557 ( 0.000 0.000 -1.046) 1.046 1.746 ( 0.000 0.000 -1.910) 1.910 1.853 ( 0.000 0.000 -5.979) 5.979 1.991 ( 0.000 0.000 9.022) 9.022 2.008 ( 0.000 0.000 -11.149) 11.149 2.061 ( 0.000 0.000 -3.923) 3.923 2.218 ( 0.000 0.000 -13.358) 13.358 2.221 ( 0.000 0.000 -7.203) 7.203 2.385 ( 0.000 0.000 8.320) 8.320 2.445 ( 0.000 0.000 4.518) 4.518 2.550 ( 0.000 0.000 -0.210) 0.210 2.573 ( 0.000 0.000 -1.806) 1.806 2.777 ( 0.000 0.000 -1.216) 1.216 2.854 ( 0.000 0.000 -5.768) 5.768 2.907 ( 0.000 0.000 -5.444) 5.444 2.944 ( 0.000 0.000 2.426) 2.426 3.104 ( 0.000 0.000 5.849) 5.849 3.132 ( 0.000 0.000 2.568) 2.568 3.207 ( 0.000 0.000 10.823) 10.823 3.264 ( 0.000 0.000 3.692) 3.692 3.267 ( 0.000 0.000 13.734) 13.734 3.362 ( 0.000 0.000 -1.093) 1.093 3.395 ( 0.000 0.000 -2.712) 2.712 3.418 ( 0.000 0.000 -7.175) 7.175 3.520 ( 0.000 0.000 2.742) 2.742 3.547 ( 0.000 0.000 3.544) 3.544 3.563 ( 0.000 0.000 5.282) 5.282 3.827 ( 0.000 0.000 0.456) 0.456 3.937 ( 0.000 0.000 -8.872) 8.872 3.973 ( 0.000 0.000 1.486) 1.486 4.137 ( 0.000 0.000 -5.261) 5.261 4.152 ( 0.000 0.000 -9.997) 9.997 4.321 ( 0.000 0.000 5.418) 5.418 4.370 ( 0.000 0.000 -0.441) 0.441 4.372 ( 0.000 0.000 -12.388) 12.388 4.547 ( 0.000 0.000 1.249) 1.249 4.638 ( 0.000 0.000 -6.301) 6.301 4.647 ( 0.000 0.000 1.451) 1.451 4.686 ( 0.000 0.000 -1.306) 1.306 4.805 ( 0.000 0.000 -2.212) 2.212 4.823 ( 0.000 0.000 -3.232) 3.232 4.832 ( 0.000 0.000 -1.225) 1.225 4.899 ( 0.000 0.000 0.280) 0.280 4.927 ( 0.000 0.000 1.375) 1.375 5.023 ( 0.000 0.000 4.927) 4.927 5.025 ( 0.000 0.000 2.814) 2.814 5.057 ( 0.000 0.000 2.736) 2.736 5.145 ( 0.000 0.000 -5.025) 5.025 5.154 ( 0.000 0.000 1.272) 1.272 5.191 ( 0.000 0.000 1.925) 1.925 5.362 ( 0.000 0.000 -1.344) 1.344 5.450 ( 0.000 0.000 -7.286) 7.286 5.697 ( 0.000 0.000 0.278) 0.278 5.700 ( 0.000 0.000 5.932) 5.932 5.702 ( 0.000 0.000 0.123) 0.123 5.859 ( 0.000 0.000 -1.368) 1.368 6.241 ( 0.000 0.000 -0.160) 0.160 6.606 ( 0.000 0.000 -5.084) 5.084 7.932 ( 0.000 0.000 1.975) 1.975 8.017 ( 0.000 0.000 2.625) 2.625 8.035 ( 0.000 0.000 1.307) 1.307 8.082 ( 0.000 0.000 2.095) 2.095 8.162 ( 0.000 0.000 -1.123) 1.123 8.215 ( 0.000 0.000 -2.485) 2.485 8.285 ( 0.000 0.000 -1.905) 1.905 8.328 ( 0.000 0.000 0.560) 0.560 8.368 ( 0.000 0.000 0.661) 0.661 8.400 ( 0.000 0.000 1.433) 1.433 8.420 ( 0.000 0.000 0.964) 0.964 8.616 ( 0.000 0.000 -8.449) 8.449 9.217 ( 0.000 0.000 2.926) 2.926 9.241 ( 0.000 0.000 3.481) 3.481 9.405 ( 0.000 0.000 5.639) 5.639 9.758 ( 0.000 0.000 -3.504) 3.504 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 4.293 0.000 15.399) 15.987 0.815 ( 6.362 0.000 16.387) 17.578 0.943 ( -1.253 0.000 3.592) 3.805 1.117 ( -8.070 0.000 5.481) 9.756 1.250 ( -2.692 0.000 -1.636) 3.150 1.294 ( -1.835 0.000 -3.803) 4.222 1.366 ( 5.246 0.000 -6.741) 8.542 1.423 ( 3.880 0.000 -6.935) 7.946 1.488 ( -1.327 0.000 0.201) 1.342 1.543 ( -1.918 0.000 -3.772) 4.232 1.602 ( 6.201 0.000 25.836) 26.570 1.782 ( 3.760 0.000 0.184) 3.764 1.877 ( 3.413 0.000 -2.923) 4.494 1.927 ( -5.262 0.000 9.357) 10.735 2.030 ( 0.351 0.000 -8.176) 8.183 2.081 ( -1.792 0.000 0.337) 1.824 2.186 ( -3.116 0.000 -13.128) 13.493 2.213 ( -1.171 0.000 -10.874) 10.937 2.334 ( -2.263 0.000 4.443) 4.986 2.405 ( 0.711 0.000 6.712) 6.750 2.490 ( -6.209 0.000 -4.952) 7.942 2.631 ( 4.982 0.000 2.550) 5.597 2.684 ( -8.519 0.000 -0.724) 8.549 2.786 ( -3.770 0.000 -0.803) 3.855 2.980 ( 1.977 0.000 -5.153) 5.519 3.021 ( 7.523 0.000 -8.164) 11.101 3.116 ( 1.045 0.000 4.633) 4.750 3.118 ( -3.114 0.000 5.632) 6.435 3.174 ( 0.486 0.000 6.391) 6.409 3.266 ( 0.258 0.000 12.771) 12.774 3.277 ( 1.344 0.000 6.000) 6.149 3.362 ( -0.691 0.000 -2.787) 2.872 3.452 ( 4.125 0.000 -4.248) 5.921 3.475 ( -3.561 0.000 5.857) 6.854 3.514 ( -3.042 0.000 4.338) 5.298 3.530 ( 7.182 0.000 -3.524) 8.000 3.573 ( 3.747 0.000 7.008) 7.947 3.842 ( -0.548 0.000 0.717) 0.902 3.952 ( 1.687 0.000 -7.009) 7.209 4.013 ( 3.929 0.000 -0.243) 3.937 4.148 ( -3.814 0.000 -4.286) 5.737 4.149 ( -1.237 0.000 -7.779) 7.877 4.210 ( -1.662 0.000 -3.154) 3.565 4.381 ( 1.978 0.000 -1.088) 2.258 4.398 ( -0.844 0.000 -6.851) 6.903 4.521 ( -3.095 0.000 -1.596) 3.483 4.653 ( 2.429 0.000 -3.041) 3.892 4.654 ( 0.784 0.000 0.960) 1.239 4.718 ( 2.614 0.000 -1.653) 3.093 4.763 ( -5.355 0.000 -1.862) 5.669 4.777 ( -2.725 0.000 -2.614) 3.777 4.815 ( -1.836 0.000 -0.687) 1.960 4.870 ( 1.599 0.000 -3.212) 3.588 4.989 ( -5.036 0.000 -2.374) 5.568 5.033 ( 0.862 0.000 4.272) 4.358 5.039 ( 4.396 0.000 1.878) 4.780 5.056 ( -0.178 0.000 2.922) 2.927 5.084 ( 1.493 0.000 2.764) 3.142 5.195 ( 2.416 0.000 1.017) 2.622 5.248 ( 1.751 0.000 -2.807) 3.308 5.386 ( 3.378 0.000 -1.066) 3.542 5.510 ( 6.312 0.000 -4.599) 7.810 5.643 ( -5.941 0.000 6.049) 8.479 5.698 ( 0.082 0.000 0.256) 0.268 5.701 ( -0.074 0.000 0.146) 0.163 5.791 ( -6.467 0.000 -0.566) 6.492 6.289 ( 4.631 0.000 -0.712) 4.686 6.528 ( -7.094 0.000 -2.896) 7.663 7.946 ( 1.422 0.000 2.167) 2.592 8.010 ( -1.112 0.000 2.855) 3.064 8.040 ( 0.541 0.000 1.354) 1.458 8.072 ( -0.936 0.000 1.835) 2.060 8.228 ( 1.284 0.000 -2.256) 2.596 8.243 ( 6.920 0.000 -3.912) 7.950 8.277 ( -0.891 0.000 -1.922) 2.119 8.328 ( -0.003 0.000 0.340) 0.340 8.377 ( 1.394 0.000 -0.361) 1.440 8.402 ( 0.213 0.000 1.116) 1.136 8.419 ( 0.088 0.000 1.139) 1.143 8.578 ( -4.119 0.000 -8.462) 9.411 9.224 ( 0.741 0.000 3.036) 3.125 9.244 ( 0.066 0.000 3.469) 3.469 9.433 ( 3.282 0.000 5.373) 6.295 9.676 ( -7.695 0.000 -0.047) 7.695 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -5.710 0.000 10.145) 11.642 0.873 ( 5.710 0.000 10.145) 11.642 0.960 ( -8.780 0.000 11.784) 14.695 0.960 ( 8.780 0.000 11.784) 14.695 1.253 ( -2.147 0.000 -3.113) 3.782 1.253 ( 2.147 0.000 -3.113) 3.782 1.443 ( -3.273 0.000 -6.713) 7.468 1.443 ( 3.273 0.000 -6.713) 7.468 1.490 ( -3.465 0.000 -7.535) 8.294 1.490 ( 3.465 0.000 -7.535) 8.294 1.755 ( -8.575 0.000 21.485) 23.133 1.755 ( 8.575 0.000 21.485) 23.133 1.940 ( -8.622 0.000 -1.531) 8.757 1.940 ( 8.622 0.000 -1.531) 8.757 1.972 ( -5.791 0.000 -1.509) 5.985 1.972 ( 5.791 0.000 -1.509) 5.985 2.186 ( -1.564 0.000 -9.594) 9.720 2.186 ( 1.564 0.000 -9.594) 9.720 2.371 ( -5.625 0.000 -3.320) 6.532 2.371 ( 5.625 0.000 -3.320) 6.532 2.512 ( -9.108 0.000 0.576) 9.126 2.512 ( 9.108 0.000 0.576) 9.126 2.716 ( -4.159 0.000 1.758) 4.516 2.716 ( 4.159 0.000 1.758) 4.516 3.030 ( -4.159 0.000 -2.459) 4.832 3.030 ( 4.159 0.000 -2.459) 4.832 3.118 ( -2.008 0.000 -1.883) 2.753 3.118 ( 2.008 0.000 -1.883) 2.753 3.246 ( -4.056 0.000 8.585) 9.495 3.246 ( 4.056 0.000 8.585) 9.495 3.304 ( -4.255 0.000 3.581) 5.561 3.304 ( 4.255 0.000 3.581) 5.561 3.461 ( -2.039 0.000 6.459) 6.773 3.461 ( 2.039 0.000 6.459) 6.773 3.528 ( -3.138 0.000 -4.329) 5.347 3.528 ( 3.138 0.000 -4.329) 5.347 3.754 ( -9.485 0.000 6.751) 11.642 3.754 ( 9.485 0.000 6.751) 11.642 4.006 ( -5.527 0.000 -6.293) 8.376 4.006 ( 5.527 0.000 -6.293) 8.376 4.094 ( -4.333 0.000 -3.530) 5.589 4.094 ( 4.333 0.000 -3.530) 5.589 4.319 ( -7.283 0.000 -6.741) 9.924 4.319 ( 7.283 0.000 -6.741) 9.924 4.446 ( -4.536 0.000 -2.506) 5.182 4.446 ( 4.536 0.000 -2.506) 5.182 4.684 ( -2.853 0.000 -0.369) 2.877 4.684 ( 2.853 0.000 -0.369) 2.877 4.714 ( -3.607 0.000 -2.119) 4.183 4.714 ( 3.607 0.000 -2.119) 4.183 4.771 ( -2.736 0.000 -1.176) 2.978 4.771 ( 2.736 0.000 -1.176) 2.978 4.913 ( -3.005 0.000 -3.687) 4.756 4.913 ( 3.005 0.000 -3.687) 4.756 5.048 ( -0.689 0.000 3.420) 3.489 5.048 ( 0.689 0.000 3.420) 3.489 5.090 ( -1.601 0.000 1.424) 2.142 5.090 ( 1.601 0.000 1.424) 2.142 5.242 ( -1.915 0.000 -1.369) 2.354 5.242 ( 1.915 0.000 -1.369) 2.354 5.501 ( -8.250 0.000 2.197) 8.537 5.501 ( 8.250 0.000 2.197) 8.537 5.653 ( -8.114 0.000 -0.240) 8.118 5.653 ( 8.114 0.000 -0.240) 8.118 5.700 ( -0.110 0.000 0.201) 0.229 5.700 ( 0.110 0.000 0.201) 0.229 6.395 ( -6.791 0.000 -1.307) 6.915 6.395 ( 6.791 0.000 -1.307) 6.915 7.979 ( -1.992 0.000 2.606) 3.280 7.979 ( 1.992 0.000 2.606) 3.280 8.054 ( -0.960 0.000 1.516) 1.795 8.054 ( 0.960 0.000 1.516) 1.795 8.255 ( -1.454 0.000 -2.011) 2.481 8.255 ( 1.454 0.000 -2.011) 2.481 8.321 ( -1.314 0.000 -0.722) 1.499 8.321 ( 1.314 0.000 -0.722) 1.499 8.404 ( -0.327 0.000 0.487) 0.587 8.404 ( 0.327 0.000 0.487) 0.587 8.474 ( -6.425 0.000 -6.331) 9.020 8.474 ( 6.425 0.000 -6.331) 9.020 9.238 ( -0.636 0.000 3.297) 3.358 9.238 ( 0.636 0.000 3.297) 3.358 9.530 ( -7.219 0.000 3.954) 8.231 9.530 ( 7.219 0.000 3.954) 8.231 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.17 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.000 5.609 16.541) 17.466 0.849 ( 0.000 8.831 15.863) 18.155 1.083 ( 0.000 11.670 2.127) 11.863 1.205 ( 0.000 -0.324 0.901) 0.957 1.266 ( 0.000 0.066 -0.455) 0.460 1.372 ( 0.000 1.832 0.193) 1.842 1.374 ( 0.000 4.235 -4.527) 6.199 1.429 ( 0.000 5.861 -5.497) 8.035 1.486 ( 0.000 -5.001 -0.125) 5.002 1.520 ( 0.000 1.396 -3.602) 3.863 1.626 ( 0.000 8.812 28.229) 29.572 1.779 ( 0.000 1.678 -6.435) 6.650 1.827 ( 0.000 -1.761 -0.263) 1.780 1.976 ( 0.000 -0.998 8.443) 8.502 2.044 ( 0.000 -1.404 -3.062) 3.368 2.076 ( 0.000 5.390 -9.221) 10.681 2.181 ( 0.000 -2.334 -10.798) 11.048 2.210 ( 0.000 -2.319 -2.313) 3.275 2.318 ( 0.000 -2.208 -1.713) 2.794 2.475 ( 0.000 1.519 0.602) 1.634 2.547 ( 0.000 -0.770 -2.882) 2.983 2.613 ( 0.000 2.967 -1.773) 3.457 2.815 ( 0.000 3.005 -0.783) 3.105 2.858 ( 0.000 -0.930 -4.662) 4.754 2.947 ( 0.000 0.276 3.766) 3.776 2.955 ( 0.000 4.302 -3.976) 5.858 3.082 ( 0.000 -3.047 3.859) 4.917 3.094 ( 0.000 -1.849 3.668) 4.108 3.125 ( 0.000 -8.791 -6.399) 10.873 3.214 ( 0.000 -1.018 8.347) 8.409 3.247 ( 0.000 -0.043 8.608) 8.608 3.364 ( 0.000 4.805 6.124) 7.784 3.388 ( 0.000 0.302 -5.182) 5.191 3.500 ( 0.000 5.876 3.469) 6.823 3.563 ( 0.000 0.345 5.820) 5.830 3.669 ( 0.000 9.115 2.724) 9.513 3.710 ( 0.000 -4.035 2.296) 4.642 3.765 ( 0.000 10.153 0.109) 10.153 3.871 ( 0.000 -4.088 -7.278) 8.347 3.979 ( 0.000 -2.382 3.698) 4.398 4.115 ( 0.000 -2.124 -8.635) 8.893 4.146 ( 0.000 -1.508 -8.429) 8.562 4.259 ( 0.000 -7.996 -8.966) 12.013 4.283 ( 0.000 -1.517 2.528) 2.948 4.450 ( 0.000 5.040 1.874) 5.377 4.532 ( 0.000 -1.329 -1.792) 2.231 4.611 ( 0.000 -0.367 2.218) 2.248 4.665 ( 0.000 0.360 -2.926) 2.948 4.682 ( 0.000 -1.181 -0.640) 1.343 4.779 ( 0.000 -1.219 0.817) 1.467 4.795 ( 0.000 -1.360 -2.555) 2.894 4.839 ( 0.000 -0.330 -0.327) 0.464 4.926 ( 0.000 -0.246 1.084) 1.112 4.951 ( 0.000 2.982 -2.080) 3.636 4.982 ( 0.000 -3.193 2.828) 4.265 5.033 ( 0.000 1.161 3.548) 3.733 5.066 ( 0.000 0.056 1.421) 1.422 5.129 ( 0.000 -1.865 -3.064) 3.587 5.190 ( 0.000 -0.598 -1.148) 1.294 5.190 ( 0.000 2.767 0.175) 2.773 5.332 ( 0.000 -2.368 -1.227) 2.667 5.392 ( 0.000 -4.661 -3.746) 5.980 5.606 ( 0.000 -5.812 4.179) 7.158 5.669 ( 0.000 -2.563 5.980) 6.506 5.784 ( 0.000 6.925 -2.880) 7.500 5.935 ( 0.000 4.726 -4.513) 6.535 6.220 ( 0.000 -1.818 -1.351) 2.265 6.484 ( 0.000 -9.153 -3.203) 9.697 7.935 ( 0.000 0.380 1.693) 1.735 8.016 ( 0.000 0.022 2.550) 2.550 8.056 ( 0.000 0.701 2.133) 2.245 8.114 ( 0.000 -3.276 -0.292) 3.289 8.225 ( 0.000 11.159 -3.945) 11.835 8.255 ( 0.000 2.744 -1.998) 3.394 8.318 ( 0.000 2.688 -1.936) 3.312 8.332 ( 0.000 0.619 1.010) 1.184 8.396 ( 0.000 -0.339 1.385) 1.426 8.397 ( 0.000 1.302 0.041) 1.303 8.430 ( 0.000 2.174 0.091) 2.176 8.605 ( 0.000 -0.994 -8.287) 8.347 9.219 ( 0.000 0.310 2.967) 2.983 9.234 ( 0.000 -0.567 3.534) 3.580 9.381 ( 0.000 -2.183 5.375) 5.801 9.646 ( 0.000 -9.125 0.457) 9.137 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.17 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 4.374 5.321 16.145) 17.553 0.898 ( 4.952 7.856 13.272) 16.199 1.062 ( -3.188 9.356 6.057) 11.593 1.132 ( -6.004 2.402 3.716) 7.458 1.305 ( 2.270 -0.618 -2.921) 3.751 1.321 ( -2.027 4.233 0.736) 4.751 1.381 ( 0.708 3.803 -4.380) 5.844 1.457 ( 0.798 0.595 -7.311) 7.378 1.483 ( -0.925 -3.213 -2.467) 4.156 1.498 ( -2.011 1.365 -5.000) 5.559 1.685 ( 5.813 7.351 24.239) 25.988 1.797 ( 3.418 0.520 -1.868) 3.930 1.879 ( 4.528 0.105 -0.300) 4.540 1.911 ( -5.121 -1.115 8.842) 10.279 2.053 ( -1.217 2.456 -4.830) 5.554 2.095 ( 0.781 1.218 -4.734) 4.950 2.166 ( -1.619 -2.359 -9.139) 9.577 2.219 ( -6.710 2.461 -6.413) 9.602 2.258 ( 2.600 -4.982 3.379) 6.557 2.445 ( 0.261 2.758 -1.303) 3.062 2.507 ( -5.062 1.015 -5.947) 7.875 2.640 ( 2.158 0.820 -0.735) 2.423 2.747 ( -4.515 4.392 1.128) 6.399 2.845 ( -4.549 4.164 -1.006) 6.248 2.923 ( 2.145 -3.385 -5.274) 6.624 3.018 ( 0.819 -1.337 -5.412) 5.634 3.076 ( -0.126 -2.422 4.399) 5.023 3.100 ( 4.085 -3.185 5.078) 7.254 3.145 ( -0.712 0.682 2.012) 2.241 3.227 ( 4.568 -5.353 2.261) 7.391 3.278 ( 0.161 -0.044 6.808) 6.810 3.323 ( -2.996 1.566 0.037) 3.380 3.460 ( 4.427 1.156 5.800) 7.388 3.541 ( 4.488 3.054 4.046) 6.771 3.583 ( 1.789 2.553 2.263) 3.852 3.622 ( -3.802 8.811 4.802) 10.731 3.706 ( -1.209 2.420 -1.371) 3.033 3.752 ( -1.494 2.262 0.584) 2.773 3.900 ( 3.728 -3.204 -4.350) 6.564 4.006 ( 2.123 -3.395 1.396) 4.241 4.112 ( -3.127 -4.589 -5.112) 7.548 4.150 ( 1.874 0.513 -7.623) 7.867 4.199 ( -2.279 0.180 -2.147) 3.136 4.297 ( -1.302 -7.087 -5.752) 9.220 4.447 ( 0.430 4.983 -0.040) 5.002 4.517 ( -1.553 0.001 -2.205) 2.696 4.625 ( 1.209 -1.152 1.893) 2.524 4.667 ( 0.039 -1.173 0.436) 1.252 4.711 ( 2.249 -1.085 -1.941) 3.163 4.737 ( -1.908 0.946 -0.824) 2.283 4.803 ( 0.177 -0.737 -2.107) 2.240 4.826 ( -1.160 0.810 -2.530) 2.898 4.885 ( -2.009 1.181 -1.709) 2.890 4.947 ( -4.121 -3.074 -0.791) 5.202 5.009 ( 1.820 -1.158 2.548) 3.339 5.041 ( -0.209 0.379 0.689) 0.814 5.053 ( 0.440 -0.593 2.832) 2.927 5.093 ( 0.037 -0.693 1.190) 1.378 5.204 ( 2.409 -0.303 -0.251) 2.441 5.262 ( 1.920 1.348 -3.777) 4.446 5.353 ( 3.466 -3.550 -0.096) 4.962 5.445 ( 5.317 -3.841 -0.655) 6.592 5.573 ( -3.909 -5.542 4.986) 8.418 5.632 ( -3.583 -2.723 4.730) 6.529 5.796 ( 1.330 7.317 -3.068) 8.044 5.898 ( -3.386 6.067 -4.076) 8.055 6.256 ( 3.573 -2.793 -1.739) 4.857 6.434 ( -4.766 -7.402 -2.589) 9.176 7.948 ( 1.348 0.341 1.921) 2.371 8.006 ( -1.088 0.058 2.637) 2.854 8.059 ( 0.387 0.730 2.055) 2.215 8.094 ( -1.460 -0.600 0.978) 1.857 8.263 ( 1.219 3.167 -2.116) 3.999 8.283 ( 3.235 5.417 -4.851) 7.958 8.316 ( 0.327 2.436 -1.915) 3.116 8.335 ( 0.260 0.909 0.598) 1.119 8.396 ( 0.501 0.219 1.079) 1.210 8.414 ( 1.701 0.833 -0.628) 1.995 8.425 ( -0.331 2.442 -0.417) 2.499 8.574 ( -3.382 -0.380 -8.377) 9.042 9.225 ( 0.556 0.125 3.077) 3.129 9.237 ( 0.185 -0.465 3.529) 3.565 9.402 ( 2.570 -2.705 5.219) 6.415 9.588 ( -5.582 -7.353 2.196) 9.489 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.17 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -6.660 5.851 12.886) 15.640 0.958 ( 6.660 5.851 12.886) 15.640 1.013 ( -6.558 5.608 8.416) 12.053 1.013 ( 6.558 5.608 8.416) 12.053 1.316 ( -0.655 4.022 -2.577) 4.821 1.316 ( 0.655 4.022 -2.577) 4.821 1.427 ( -3.846 -1.038 -2.976) 4.973 1.427 ( 3.846 -1.038 -2.976) 4.973 1.472 ( -1.065 -0.410 -8.398) 8.475 1.472 ( 1.065 -0.410 -8.398) 8.475 1.800 ( -6.058 2.264 14.301) 15.695 1.800 ( 6.058 2.264 14.301) 15.695 1.911 ( -5.438 -0.008 4.044) 6.777 1.911 ( 5.438 -0.008 4.044) 6.777 2.037 ( -4.836 4.902 -4.682) 8.327 2.037 ( 4.836 4.902 -4.682) 8.327 2.143 ( -1.483 -3.029 -5.285) 6.270 2.143 ( 1.483 -3.029 -5.285) 6.270 2.364 ( -7.148 -0.407 -3.400) 7.926 2.364 ( 7.148 -0.407 -3.400) 7.926 2.558 ( -7.816 3.457 -4.765) 9.785 2.558 ( 7.816 3.457 -4.765) 9.785 2.765 ( -4.196 3.403 1.685) 5.659 2.765 ( 4.196 3.403 1.685) 5.659 2.969 ( -3.456 -3.451 -2.712) 5.587 2.969 ( 3.456 -3.451 -2.712) 5.587 3.115 ( -2.029 -0.529 -0.464) 2.147 3.115 ( 2.029 -0.529 -0.464) 2.147 3.218 ( -5.123 -1.508 7.269) 9.020 3.218 ( 5.123 -1.508 7.269) 9.020 3.286 ( -0.725 -2.227 -0.466) 2.388 3.286 ( 0.725 -2.227 -0.466) 2.388 3.526 ( -4.129 5.361 7.331) 9.977 3.526 ( 4.129 5.361 7.331) 9.977 3.624 ( -1.090 2.032 0.433) 2.347 3.624 ( 1.090 2.032 0.433) 2.347 3.704 ( -2.802 1.543 1.356) 3.474 3.704 ( 2.802 1.543 1.356) 3.474 3.978 ( -4.673 -1.749 -3.189) 5.921 3.978 ( 4.673 -1.749 -3.189) 5.921 4.120 ( -4.639 -1.213 1.570) 5.045 4.120 ( 4.639 -1.213 1.570) 5.045 4.237 ( -4.417 -4.251 -9.412) 11.232 4.237 ( 4.417 -4.251 -9.412) 11.232 4.478 ( -2.461 2.743 -2.141) 4.262 4.478 ( 2.461 2.743 -2.141) 4.262 4.648 ( -1.398 -1.697 1.469) 2.644 4.648 ( 1.398 -1.697 1.469) 2.644 4.742 ( -0.617 0.149 -1.288) 1.436 4.742 ( 0.617 0.149 -1.288) 1.436 4.797 ( -1.104 1.807 -2.880) 3.575 4.797 ( 1.104 1.807 -2.880) 3.575 4.882 ( -2.129 -1.969 -1.886) 3.459 4.882 ( 2.129 -1.969 -1.886) 3.459 5.031 ( -0.780 -0.898 2.196) 2.498 5.031 ( 0.780 -0.898 2.196) 2.498 5.079 ( -1.665 -1.557 0.937) 2.465 5.079 ( 1.665 -1.557 0.937) 2.465 5.252 ( -2.171 -0.177 -2.143) 3.055 5.252 ( 2.171 -0.177 -2.143) 3.055 5.463 ( -7.178 -3.301 2.999) 8.451 5.463 ( 7.178 -3.301 2.999) 8.451 5.551 ( -5.279 -3.975 3.073) 7.288 5.551 ( 5.279 -3.975 3.073) 7.288 5.835 ( -2.986 7.519 -3.565) 8.841 5.835 ( 2.986 7.519 -3.565) 8.841 6.338 ( -5.156 -4.765 -2.087) 7.325 6.338 ( 5.156 -4.765 -2.087) 7.325 7.979 ( -1.764 0.198 2.410) 2.993 7.979 ( 1.764 0.198 2.410) 2.993 8.071 ( -0.956 0.512 1.745) 2.054 8.071 ( 0.956 0.512 1.745) 2.054 8.286 ( -1.162 2.850 -2.166) 3.764 8.286 ( 1.162 2.850 -2.166) 3.764 8.337 ( -0.377 1.397 -0.805) 1.656 8.337 ( 0.377 1.397 -0.805) 1.656 8.411 ( -0.855 0.694 0.945) 1.451 8.411 ( 0.855 0.694 0.945) 1.451 8.489 ( -5.381 1.449 -7.267) 9.158 8.489 ( 5.381 1.449 -7.267) 9.158 9.235 ( -0.435 -0.201 3.348) 3.383 9.235 ( 0.435 -0.201 3.348) 3.383 9.478 ( -5.577 -4.479 4.397) 8.396 9.478 ( 5.577 -4.479 4.397) 8.396 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.000 9.103 12.690) 15.618 1.027 ( 0.000 7.992 12.734) 15.034 1.222 ( 0.000 1.033 3.159) 3.323 1.270 ( 0.000 -0.729 2.273) 2.388 1.308 ( 0.000 3.581 6.216) 7.174 1.362 ( 0.000 -4.617 3.725) 5.932 1.406 ( 0.000 -0.387 -1.055) 1.123 1.435 ( 0.000 8.387 2.828) 8.851 1.503 ( 0.000 -0.179 -11.195) 11.196 1.610 ( 0.000 6.350 -8.547) 10.647 1.786 ( 0.000 -1.215 -10.795) 10.863 1.824 ( 0.000 2.222 7.865) 8.173 1.865 ( 0.000 11.866 20.206) 23.433 1.943 ( 0.000 -8.950 4.730) 10.124 1.950 ( 0.000 -1.692 6.630) 6.843 2.110 ( 0.000 -1.438 -1.162) 1.849 2.196 ( 0.000 3.149 -6.020) 6.794 2.232 ( 0.000 5.328 -10.204) 11.512 2.360 ( 0.000 4.804 -9.838) 10.948 2.489 ( 0.000 0.982 -5.792) 5.875 2.508 ( 0.000 -2.880 -8.027) 8.528 2.688 ( 0.000 3.581 -4.790) 5.981 2.769 ( 0.000 -7.417 -1.304) 7.530 2.883 ( 0.000 -9.026 -8.871) 12.656 2.892 ( 0.000 4.953 -0.195) 4.957 2.968 ( 0.000 1.510 6.948) 7.111 3.006 ( 0.000 0.421 -3.760) 3.783 3.104 ( 0.000 -0.092 -3.871) 3.872 3.156 ( 0.000 7.007 7.866) 10.534 3.202 ( 0.000 -0.257 4.575) 4.582 3.241 ( 0.000 -1.910 4.720) 5.092 3.380 ( 0.000 -0.940 -6.372) 6.441 3.437 ( 0.000 1.800 3.646) 4.066 3.547 ( 0.000 -8.554 5.412) 10.122 3.580 ( 0.000 1.304 5.079) 5.243 3.636 ( 0.000 6.039 8.054) 10.066 3.739 ( 0.000 -0.028 -5.578) 5.578 3.881 ( 0.000 -4.174 -1.894) 4.584 3.949 ( 0.000 -5.869 -2.054) 6.218 3.956 ( 0.000 9.399 2.718) 9.784 4.047 ( 0.000 6.765 -0.978) 6.835 4.077 ( 0.000 -4.126 -3.147) 5.189 4.191 ( 0.000 0.245 -0.946) 0.977 4.254 ( 0.000 -1.943 1.923) 2.734 4.554 ( 0.000 4.850 1.294) 5.020 4.556 ( 0.000 3.547 -0.520) 3.585 4.591 ( 0.000 -0.757 -0.581) 0.954 4.634 ( 0.000 -2.620 1.324) 2.935 4.675 ( 0.000 0.272 1.348) 1.375 4.759 ( 0.000 -2.427 -1.174) 2.696 4.762 ( 0.000 -0.085 -0.254) 0.268 4.823 ( 0.000 -1.077 2.502) 2.724 4.905 ( 0.000 -4.101 2.275) 4.690 4.914 ( 0.000 -2.046 -2.693) 3.383 4.994 ( 0.000 1.077 -1.712) 2.023 5.023 ( 0.000 -3.352 5.238) 6.218 5.054 ( 0.000 -1.215 -0.266) 1.244 5.074 ( 0.000 -2.229 -0.584) 2.304 5.176 ( 0.000 0.612 -6.119) 6.150 5.240 ( 0.000 1.816 -1.372) 2.276 5.287 ( 0.000 -4.747 -0.646) 4.791 5.291 ( 0.000 -1.428 -1.715) 2.232 5.535 ( 0.000 -0.741 4.880) 4.936 5.608 ( 0.000 -2.952 4.687) 5.539 5.942 ( 0.000 7.560 -4.573) 8.836 6.020 ( 0.000 3.393 -5.419) 6.393 6.177 ( 0.000 -2.013 -3.593) 4.118 6.301 ( 0.000 -7.970 -3.744) 8.806 7.951 ( 0.000 1.225 1.183) 1.703 8.018 ( 0.000 -0.137 1.422) 1.429 8.052 ( 0.000 -2.235 1.764) 2.848 8.061 ( 0.000 -0.296 2.840) 2.856 8.298 ( 0.000 1.456 -0.140) 1.463 8.327 ( 0.000 0.227 -0.504) 0.553 8.381 ( 0.000 1.372 -1.143) 1.786 8.388 ( 0.000 -0.342 1.037) 1.092 8.418 ( 0.000 3.018 -2.206) 3.738 8.443 ( 0.000 6.905 -4.938) 8.489 8.504 ( 0.000 3.591 -2.444) 4.344 8.577 ( 0.000 -1.700 -7.425) 7.617 9.228 ( 0.000 0.292 3.616) 3.627 9.236 ( 0.000 1.474 3.175) 3.501 9.324 ( 0.000 -2.901 4.832) 5.636 9.451 ( 0.000 -8.587 4.013) 9.478 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 2.772 7.985 12.551) 15.132 1.063 ( 3.602 7.459 10.713) 13.542 1.183 ( -4.280 3.399 6.917) 8.816 1.257 ( -4.744 5.727 2.547) 7.861 1.281 ( 0.726 -1.685 3.252) 3.733 1.330 ( -1.981 -4.948 3.374) 6.308 1.386 ( -1.221 -2.631 0.277) 2.914 1.468 ( -1.925 1.281 -3.472) 4.171 1.477 ( 1.917 4.009 -5.015) 6.701 1.603 ( -1.386 6.755 -7.075) 9.879 1.769 ( -0.055 -0.259 -3.089) 3.101 1.850 ( -4.101 -4.870 3.817) 7.424 1.882 ( 3.913 3.839 9.441) 10.918 1.915 ( 4.774 6.217 9.524) 12.335 2.043 ( 4.256 -2.983 4.748) 7.039 2.103 ( -1.430 -1.528 0.956) 2.301 2.201 ( -2.643 5.807 -9.275) 11.258 2.223 ( 2.227 2.985 -3.954) 5.431 2.320 ( -2.727 5.586 -7.354) 9.629 2.481 ( -2.802 1.023 -6.486) 7.139 2.523 ( 2.204 0.473 -10.366) 10.608 2.648 ( 0.179 -0.346 -4.929) 4.945 2.797 ( -3.040 -2.473 -6.634) 7.705 2.822 ( -3.031 -3.667 -6.021) 7.673 2.922 ( 3.529 0.297 -4.327) 5.591 2.966 ( 0.539 2.345 4.961) 5.514 3.077 ( 4.353 -1.043 3.782) 5.860 3.104 ( -0.337 1.972 -0.347) 2.031 3.150 ( -0.188 0.367 1.913) 1.957 3.181 ( 1.193 2.489 7.038) 7.560 3.271 ( 0.085 -2.552 5.026) 5.638 3.332 ( -4.392 0.135 -2.482) 5.047 3.443 ( 0.921 -0.844 1.902) 2.276 3.528 ( -3.783 -4.910 4.309) 7.549 3.588 ( 3.586 -3.664 0.860) 5.198 3.697 ( 5.256 4.769 7.972) 10.673 3.785 ( 3.426 2.948 -1.482) 4.757 3.834 ( -6.623 -3.730 -6.432) 9.957 3.899 ( 0.388 2.000 4.380) 4.831 3.990 ( 1.379 3.889 2.619) 4.887 4.050 ( 0.386 4.402 -1.155) 4.568 4.109 ( 1.208 -4.321 -4.875) 6.625 4.195 ( 0.132 -0.906 -1.641) 1.879 4.220 ( -2.566 -0.345 1.788) 3.147 4.544 ( -0.610 2.902 0.093) 2.966 4.552 ( -0.577 3.003 -1.040) 3.230 4.596 ( 1.132 0.229 0.995) 1.525 4.641 ( -0.586 -1.191 0.563) 1.442 4.683 ( 1.715 -1.221 0.691) 2.216 4.736 ( -0.287 -1.544 -1.223) 1.991 4.802 ( -1.575 -0.048 0.508) 1.655 4.814 ( 2.932 -0.436 -0.610) 3.026 4.847 ( -4.025 -4.275 0.313) 5.880 4.945 ( -1.720 2.164 -2.756) 3.903 4.988 ( 1.408 -1.121 1.278) 2.207 5.026 ( 0.289 -2.378 3.886) 4.565 5.042 ( -0.406 -3.201 1.337) 3.493 5.057 ( -1.205 0.480 -1.785) 2.207 5.155 ( -0.384 -3.006 -4.823) 5.696 5.219 ( -2.685 -6.106 -1.091) 6.758 5.320 ( 6.072 1.858 -0.119) 6.351 5.393 ( 5.912 -1.684 0.180) 6.150 5.508 ( -2.942 -0.464 4.647) 5.519 5.576 ( -3.336 -2.593 3.926) 5.768 5.954 ( 1.290 7.458 -4.697) 8.908 6.010 ( -1.086 4.716 -5.313) 7.187 6.189 ( 1.366 -3.347 -3.649) 5.137 6.277 ( -2.413 -7.237 -3.753) 8.502 7.964 ( 1.264 1.195 1.499) 2.296 8.014 ( -0.706 0.590 2.230) 2.412 8.052 ( 0.183 -2.321 1.376) 2.704 8.061 ( -0.044 -0.673 2.559) 2.646 8.309 ( 1.094 1.461 -0.183) 1.835 8.336 ( 0.875 0.198 -0.229) 0.926 8.365 ( -1.196 1.430 -0.924) 2.081 8.381 ( -0.839 0.125 0.257) 0.887 8.430 ( 1.169 3.552 -1.973) 4.228 8.457 ( 0.984 4.724 -4.370) 6.510 8.500 ( -0.061 3.314 -3.597) 4.891 8.560 ( -1.673 -0.972 -7.511) 7.756 9.232 ( 0.374 0.533 3.518) 3.578 9.240 ( 0.241 1.233 3.483) 3.703 9.334 ( 1.212 -3.527 4.751) 6.040 9.425 ( -2.595 -7.430 4.289) 8.962 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -5.813 5.674 10.736) 13.463 1.074 ( 5.813 5.674 10.736) 13.463 1.156 ( -5.408 7.106 6.897) 11.283 1.156 ( 5.408 7.106 6.897) 11.283 1.299 ( -1.310 -4.340 2.296) 5.082 1.299 ( 1.310 -4.340 2.296) 5.082 1.402 ( -2.916 -3.005 -3.852) 5.689 1.402 ( 2.916 -3.005 -3.852) 5.689 1.550 ( -4.084 6.972 -3.515) 8.811 1.550 ( 4.084 6.972 -3.515) 8.811 1.789 ( -2.266 -2.787 1.488) 3.888 1.789 ( 2.266 -2.787 1.488) 3.888 1.960 ( -2.227 3.404 6.490) 7.659 1.960 ( 2.227 3.404 6.490) 7.659 2.074 ( -0.111 -1.901 3.328) 3.835 2.074 ( 0.111 -1.901 3.328) 3.835 2.197 ( -3.082 8.469 -5.516) 10.566 2.197 ( 3.082 8.469 -5.516) 10.566 2.372 ( -6.771 0.832 -5.217) 8.588 2.372 ( 6.771 0.832 -5.217) 8.588 2.615 ( -5.389 2.021 -10.888) 12.316 2.615 ( 5.389 2.021 -10.888) 12.316 2.771 ( -2.079 -3.383 -6.971) 8.022 2.771 ( 2.079 -3.383 -6.971) 8.022 2.965 ( -0.795 2.747 1.964) 3.469 2.965 ( 0.795 2.747 1.964) 3.469 3.109 ( -0.632 -0.372 0.797) 1.083 3.109 ( 0.632 -0.372 0.797) 1.083 3.193 ( -2.550 -0.619 8.571) 8.964 3.193 ( 2.550 -0.619 8.571) 8.964 3.260 ( -0.969 -0.009 -0.829) 1.275 3.260 ( 0.969 -0.009 -0.829) 1.275 3.471 ( -2.114 -4.429 2.290) 5.416 3.471 ( 2.114 -4.429 2.290) 5.416 3.683 ( -6.404 -3.062 -0.390) 7.109 3.683 ( 6.404 -3.062 -0.390) 7.109 3.796 ( -2.835 5.392 3.692) 7.123 3.796 ( 2.835 5.392 3.692) 7.123 3.961 ( -5.077 1.540 0.964) 5.393 3.961 ( 5.077 1.540 0.964) 5.393 4.078 ( -3.173 0.096 -0.333) 3.192 4.078 ( 3.173 0.096 -0.333) 3.192 4.201 ( -0.899 -0.514 -2.672) 2.866 4.201 ( 0.899 -0.514 -2.672) 2.866 4.542 ( -0.440 2.432 -1.212) 2.753 4.542 ( 0.440 2.432 -1.212) 2.753 4.620 ( -1.309 -0.109 1.184) 1.768 4.620 ( 1.309 -0.109 1.184) 1.768 4.731 ( -2.433 -1.467 -0.735) 2.935 4.731 ( 2.433 -1.467 -0.735) 2.935 4.777 ( -2.037 -3.028 -0.414) 3.673 4.777 ( 2.037 -3.028 -0.414) 3.673 4.885 ( -3.947 2.088 -1.073) 4.592 4.885 ( 3.947 2.088 -1.073) 4.592 5.018 ( -1.481 -0.894 0.212) 1.743 5.018 ( 1.481 -0.894 0.212) 1.743 5.042 ( -0.657 -0.965 1.166) 1.650 5.042 ( 0.657 -0.965 1.166) 1.650 5.176 ( -2.181 -6.643 -2.211) 7.333 5.176 ( 2.181 -6.643 -2.211) 7.333 5.430 ( -5.452 0.627 3.098) 6.302 5.430 ( 5.452 0.627 3.098) 6.302 5.496 ( -5.173 -1.955 2.108) 5.918 5.496 ( 5.173 -1.955 2.108) 5.918 5.983 ( -1.707 6.658 -5.004) 8.502 5.983 ( 1.707 6.658 -5.004) 8.502 6.227 ( -2.637 -5.570 -3.752) 7.215 6.227 ( 2.637 -5.570 -3.752) 7.215 7.991 ( -1.566 1.060 2.177) 2.884 7.991 ( 1.566 1.060 2.177) 2.884 8.058 ( -0.290 -1.528 1.874) 2.436 8.058 ( 0.290 -1.528 1.874) 2.436 8.334 ( -1.382 1.415 -0.173) 1.986 8.334 ( 1.382 1.415 -0.173) 1.986 8.363 ( -1.058 0.344 -0.349) 1.166 8.363 ( 1.058 0.344 -0.349) 1.166 8.453 ( -1.166 3.601 -2.114) 4.335 8.453 ( 1.166 3.601 -2.114) 4.335 8.522 ( -2.185 1.202 -6.996) 7.427 8.522 ( 2.185 1.202 -6.996) 7.427 9.239 ( -0.304 0.872 3.593) 3.709 9.239 ( 0.304 0.872 3.593) 3.709 9.372 ( -2.810 -5.213 4.621) 7.512 9.372 ( 2.810 -5.213 4.621) 7.512 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 -0.50 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.000 -3.379 7.630) 8.345 1.140 ( 0.000 3.379 7.630) 8.345 1.209 ( 0.000 -2.106 8.099) 8.368 1.209 ( 0.000 2.106 8.099) 8.368 1.292 ( 0.000 -0.261 6.869) 6.874 1.292 ( 0.000 0.261 6.869) 6.874 1.454 ( 0.000 -3.495 -6.864) 7.703 1.454 ( 0.000 3.495 -6.864) 7.703 1.688 ( 0.000 -9.485 3.144) 9.992 1.688 ( 0.000 9.485 3.144) 9.992 1.734 ( 0.000 -0.759 -7.796) 7.832 1.734 ( 0.000 0.759 -7.796) 7.832 1.896 ( 0.000 -3.609 6.237) 7.206 1.896 ( 0.000 3.609 6.237) 7.206 2.060 ( 0.000 -5.045 8.101) 9.543 2.060 ( 0.000 5.045 8.101) 9.543 2.265 ( 0.000 -2.213 -5.531) 5.958 2.265 ( 0.000 2.213 -5.531) 5.958 2.454 ( 0.000 -2.533 -13.682) 13.914 2.454 ( 0.000 2.533 -13.682) 13.914 2.583 ( 0.000 -8.844 -3.490) 9.508 2.583 ( 0.000 8.844 -3.490) 9.508 2.754 ( 0.000 -3.781 -9.709) 10.419 2.754 ( 0.000 3.781 -9.709) 10.419 3.000 ( 0.000 -1.096 5.150) 5.266 3.000 ( 0.000 1.096 5.150) 5.266 3.032 ( 0.000 -7.158 1.180) 7.255 3.032 ( 0.000 7.158 1.180) 7.255 3.189 ( 0.000 -0.854 -6.443) 6.499 3.189 ( 0.000 0.854 -6.443) 6.499 3.331 ( 0.000 -7.531 7.458) 10.599 3.331 ( 0.000 7.531 7.458) 10.599 3.429 ( 0.000 -0.693 1.951) 2.070 3.429 ( 0.000 0.693 1.951) 2.070 3.651 ( 0.000 -4.641 4.922) 6.765 3.651 ( 0.000 4.641 4.922) 6.765 3.785 ( 0.000 -3.737 -3.286) 4.976 3.785 ( 0.000 3.737 -3.286) 4.976 3.931 ( 0.000 -4.951 -0.472) 4.974 3.931 ( 0.000 4.951 -0.472) 4.974 4.160 ( 0.000 -4.188 2.757) 5.014 4.160 ( 0.000 4.188 2.757) 5.014 4.181 ( 0.000 -4.078 2.525) 4.796 4.181 ( 0.000 4.078 2.525) 4.796 4.594 ( 0.000 -1.154 1.737) 2.085 4.594 ( 0.000 1.154 1.737) 2.085 4.630 ( 0.000 -0.244 -1.449) 1.469 4.630 ( 0.000 0.244 -1.449) 1.469 4.693 ( 0.000 -3.005 1.281) 3.267 4.693 ( 0.000 3.005 1.281) 3.267 4.796 ( 0.000 -3.425 3.196) 4.685 4.796 ( 0.000 3.425 3.196) 4.685 4.837 ( 0.000 -0.637 -1.195) 1.354 4.837 ( 0.000 0.637 -1.195) 1.354 4.999 ( 0.000 -0.285 0.100) 0.302 4.999 ( 0.000 0.285 0.100) 0.302 5.038 ( 0.000 -0.511 -0.954) 1.082 5.038 ( 0.000 0.511 -0.954) 1.082 5.214 ( 0.000 -2.522 -2.565) 3.597 5.214 ( 0.000 2.522 -2.565) 3.597 5.268 ( 0.000 -1.024 -2.135) 2.368 5.268 ( 0.000 1.024 -2.135) 2.368 5.555 ( 0.000 -2.054 4.137) 4.619 5.555 ( 0.000 2.054 4.137) 4.619 6.056 ( 0.000 -1.496 -4.577) 4.815 6.056 ( 0.000 1.496 -4.577) 4.815 6.170 ( 0.000 -3.296 -5.034) 6.018 6.170 ( 0.000 3.296 -5.034) 6.018 7.986 ( 0.000 -2.065 0.521) 2.130 7.986 ( 0.000 2.065 0.521) 2.130 8.047 ( 0.000 -0.796 3.252) 3.348 8.047 ( 0.000 0.796 3.252) 3.348 8.321 ( 0.000 -0.731 0.294) 0.787 8.321 ( 0.000 0.731 0.294) 0.787 8.385 ( 0.000 -0.021 0.543) 0.543 8.385 ( 0.000 0.021 0.543) 0.543 8.491 ( 0.000 -2.284 -5.076) 5.566 8.491 ( 0.000 2.284 -5.076) 5.566 8.550 ( 0.000 -0.772 -4.836) 4.897 8.550 ( 0.000 0.772 -4.836) 4.897 9.251 ( 0.000 -1.465 3.535) 3.826 9.251 ( 0.000 1.465 3.535) 3.826 9.315 ( 0.000 -4.041 4.548) 6.084 9.315 ( 0.000 4.041 4.548) 6.084 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.25 -0.50 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 1.108 -4.934 7.009) 8.643 1.148 ( 1.108 4.934 7.009) 8.643 1.224 ( 1.323 -3.037 6.731) 7.502 1.224 ( 1.323 3.037 6.731) 7.502 1.269 ( -1.905 -2.629 7.055) 7.766 1.269 ( -1.905 2.629 7.055) 7.766 1.397 ( -5.398 -4.268 -3.575) 7.755 1.397 ( -5.398 4.268 -3.575) 7.755 1.675 ( -0.284 -9.653 2.648) 10.013 1.675 ( -0.284 9.653 2.648) 10.013 1.721 ( -1.115 -3.686 -7.547) 8.472 1.721 ( -1.115 3.686 -7.547) 8.472 1.958 ( 4.600 -3.446 5.805) 8.169 1.958 ( 4.600 3.446 5.805) 8.169 2.059 ( -0.271 -3.281 7.103) 7.829 2.059 ( -0.271 3.281 7.103) 7.829 2.273 ( 1.791 -0.788 -5.699) 6.026 2.273 ( 1.791 0.788 -5.699) 6.026 2.436 ( -3.320 -5.077 -8.142) 10.154 2.436 ( -3.320 5.077 -8.142) 10.154 2.597 ( 2.964 -5.331 -9.754) 11.504 2.597 ( 2.964 5.331 -9.754) 11.504 2.746 ( -2.047 -0.717 -11.259) 11.466 2.746 ( -2.047 0.717 -11.259) 11.466 3.000 ( 1.577 -3.973 1.395) 4.496 3.000 ( 1.577 3.973 1.395) 4.496 3.060 ( 1.050 -4.610 6.218) 7.811 3.060 ( 1.050 4.610 6.218) 7.811 3.190 ( 0.615 -3.230 -2.936) 4.408 3.190 ( 0.615 3.230 -2.936) 4.408 3.294 ( -3.296 -5.614 6.892) 9.481 3.294 ( -3.296 5.614 6.892) 9.481 3.451 ( 2.347 -4.760 0.906) 5.383 3.451 ( 2.347 4.760 0.906) 5.383 3.607 ( -4.468 -8.216 2.356) 9.644 3.607 ( -4.468 8.216 2.356) 9.644 3.823 ( 4.464 -2.662 -0.349) 5.210 3.823 ( 4.464 2.662 -0.349) 5.210 3.967 ( 1.456 -5.747 -1.663) 6.157 3.967 ( 1.456 5.747 -1.663) 6.157 4.138 ( -1.273 -4.360 5.276) 6.962 4.138 ( -1.273 4.360 5.276) 6.962 4.179 ( -0.325 -4.716 0.756) 4.787 4.179 ( -0.325 4.716 0.756) 4.787 4.587 ( -0.103 -2.448 0.453) 2.491 4.587 ( -0.103 2.448 0.453) 2.491 4.623 ( -0.871 -1.571 -2.021) 2.704 4.623 ( -0.871 1.571 -2.021) 2.704 4.690 ( 0.251 -2.075 0.928) 2.287 4.690 ( 0.251 2.075 0.928) 2.287 4.775 ( -2.734 -0.685 1.933) 3.417 4.775 ( -2.734 0.685 1.933) 3.417 4.887 ( 4.649 -5.899 1.205) 7.606 4.887 ( 4.649 5.899 1.205) 7.606 4.990 ( -0.965 -0.936 0.696) 1.515 4.990 ( -0.965 0.936 0.696) 1.515 5.037 ( 0.264 -2.002 -1.430) 2.474 5.037 ( 0.264 2.002 -1.430) 2.474 5.134 ( -4.714 -1.119 -3.219) 5.817 5.134 ( -4.714 1.119 -3.219) 5.817 5.360 ( 5.912 -1.703 -0.438) 6.168 5.360 ( 5.912 1.703 -0.438) 6.168 5.529 ( -2.761 -1.881 3.589) 4.903 5.529 ( -2.761 1.881 3.589) 4.903 6.072 ( 1.640 -1.510 -4.691) 5.193 6.072 ( 1.640 1.510 -4.691) 5.193 6.152 ( -1.831 -2.861 -5.001) 6.046 6.152 ( -1.831 2.861 -5.001) 6.046 7.997 ( 1.137 -1.959 0.975) 2.466 7.997 ( 1.137 1.959 0.975) 2.466 8.041 ( -0.725 -1.047 2.905) 3.172 8.041 ( -0.725 1.047 2.905) 3.172 8.331 ( 1.060 -0.699 0.256) 1.295 8.331 ( 1.060 0.699 0.256) 1.295 8.377 ( -0.874 -0.304 0.458) 1.033 8.377 ( -0.874 0.304 0.458) 1.033 8.499 ( 0.768 -1.941 -5.068) 5.481 8.499 ( 0.768 1.941 -5.068) 5.481 8.540 ( -1.010 -0.868 -4.923) 5.100 8.540 ( -1.010 0.868 -4.923) 5.100 9.259 ( 0.902 -1.735 3.722) 4.204 9.259 ( 0.902 1.735 3.722) 4.204 9.305 ( -1.069 -3.557 4.442) 5.790 9.305 ( -1.069 3.557 4.442) 5.790 ======================= Grid point 89 (36/60) ======================= q-point: (-0.50 -0.50 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -2.763 -5.414 6.585) 8.961 1.191 ( 1.509 -5.289 6.585) 8.580 1.191 ( -1.509 5.289 6.585) 8.580 1.191 ( 2.763 5.414 6.585) 8.961 1.300 ( -4.243 -6.286 2.606) 8.019 1.300 ( 3.587 -6.183 2.606) 7.608 1.300 ( -3.587 6.183 2.606) 7.608 1.300 ( 4.243 6.286 2.606) 8.019 1.692 ( -1.718 -6.261 -2.414) 6.926 1.692 ( 1.692 -6.259 -2.414) 6.918 1.692 ( -1.692 6.259 -2.414) 6.918 1.692 ( 1.718 6.261 -2.414) 6.926 2.030 ( -2.405 -2.795 5.402) 6.541 2.030 ( 0.173 -2.525 5.402) 5.966 2.030 ( -0.173 2.525 5.402) 5.966 2.030 ( 2.405 2.795 5.402) 6.541 2.346 ( -4.824 -4.402 -5.117) 8.297 2.346 ( 0.900 -3.710 -5.117) 6.385 2.346 ( -0.900 3.710 -5.117) 6.385 2.346 ( 4.824 4.402 -5.117) 8.297 2.677 ( -3.663 -4.220 -13.071) 14.216 2.677 ( -0.278 -3.804 -13.071) 13.616 2.677 ( 0.278 3.804 -13.071) 13.616 2.677 ( 3.663 4.220 -13.071) 14.216 3.044 ( -1.850 -4.635 3.159) 5.907 3.044 ( 1.171 -4.580 3.159) 5.686 3.044 ( -1.171 4.580 3.159) 5.686 3.044 ( 1.850 4.635 3.159) 5.907 3.229 ( -3.438 -3.094 4.536) 6.478 3.229 ( 3.391 -3.081 4.536) 6.447 3.229 ( -3.391 3.081 4.536) 6.447 3.229 ( 3.438 3.094 4.536) 6.478 3.517 ( -4.513 -8.132 0.546) 9.317 3.517 ( 4.110 -8.078 0.546) 9.080 3.517 ( -4.110 8.078 0.546) 9.080 3.517 ( 4.513 8.132 0.546) 9.317 3.922 ( -4.759 -4.808 0.331) 6.773 3.922 ( 1.636 -4.258 0.331) 4.573 3.922 ( -1.636 4.258 0.331) 4.573 3.922 ( 4.759 4.808 0.331) 6.773 4.156 ( -1.800 -4.661 2.281) 5.492 4.156 ( 1.380 -4.625 2.281) 5.338 4.156 ( -1.380 4.625 2.281) 5.338 4.156 ( 1.800 4.661 2.281) 5.492 4.600 ( -1.017 -3.530 -1.892) 4.132 4.600 ( 0.738 -3.512 -1.892) 4.057 4.600 ( -0.738 3.512 -1.892) 4.057 4.600 ( 1.017 3.530 -1.892) 4.132 4.717 ( -2.400 -1.692 1.597) 3.343 4.717 ( -0.471 -1.216 1.597) 2.062 4.717 ( 0.471 1.216 1.597) 2.062 4.717 ( 2.400 1.692 1.597) 3.343 4.961 ( -2.689 -4.466 1.980) 5.577 4.961 ( 2.685 -4.466 1.980) 5.574 4.961 ( -2.685 4.466 1.980) 5.574 4.961 ( 2.689 4.466 1.980) 5.577 5.063 ( -2.012 -2.722 -2.953) 4.492 5.063 ( -0.155 -2.531 -2.953) 3.892 5.063 ( 0.155 2.531 -2.953) 3.892 5.063 ( 2.012 2.722 -2.953) 4.492 5.459 ( -4.763 -1.702 1.893) 5.401 5.459 ( -4.748 1.691 1.893) 5.384 5.459 ( 4.748 -1.691 1.893) 5.384 5.459 ( 4.763 1.702 1.893) 5.401 6.111 ( -1.243 -5.659 -4.886) 7.579 6.111 ( 0.344 -5.628 -4.886) 7.461 6.111 ( -0.344 5.628 -4.886) 7.461 6.111 ( 1.243 5.659 -4.886) 7.579 8.021 ( -1.235 -1.734 1.994) 2.917 8.021 ( 1.004 -1.696 1.994) 2.804 8.021 ( -1.004 1.696 1.994) 2.804 8.021 ( 1.235 1.734 1.994) 2.917 8.355 ( -1.306 -0.729 0.297) 1.525 8.355 ( -0.322 -0.362 0.297) 0.569 8.355 ( 0.322 0.362 0.297) 0.569 8.355 ( 1.306 0.729 0.297) 1.525 8.518 ( -1.022 -1.825 -5.037) 5.454 8.518 ( 0.548 -1.773 -5.037) 5.368 8.518 ( -0.548 1.773 -5.037) 5.368 8.518 ( 1.022 1.825 -5.037) 5.454 9.281 ( -1.169 -3.253 4.122) 5.380 9.281 ( 0.925 -3.233 4.122) 5.320 9.281 ( -0.925 3.233 4.122) 5.320 9.281 ( 1.169 3.253 4.122) 5.380 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 0.000 0.980) 0.980 1.052 ( 0.000 0.000 10.248) 10.248 1.103 ( 0.000 0.000 17.019) 17.019 1.176 ( 0.000 0.000 -1.886) 1.886 1.226 ( 0.000 0.000 -5.220) 5.220 1.274 ( 0.000 0.000 5.860) 5.860 1.281 ( 0.000 0.000 -4.154) 4.154 1.282 ( 0.000 0.000 2.203) 2.203 1.448 ( 0.000 0.000 -3.037) 3.037 1.651 ( 0.000 0.000 5.151) 5.151 1.691 ( 0.000 0.000 -3.871) 3.871 1.764 ( 0.000 0.000 -10.991) 10.991 1.791 ( 0.000 0.000 -15.557) 15.557 1.833 ( 0.000 0.000 2.006) 2.006 1.960 ( 0.000 0.000 -10.307) 10.307 2.090 ( 0.000 0.000 -8.422) 8.422 2.106 ( 0.000 0.000 19.813) 19.813 2.192 ( 0.000 0.000 8.674) 8.674 2.450 ( 0.000 0.000 -5.338) 5.338 2.492 ( 0.000 0.000 -5.474) 5.474 2.591 ( 0.000 0.000 10.088) 10.088 2.610 ( 0.000 0.000 10.581) 10.581 2.792 ( 0.000 0.000 -0.485) 0.485 2.816 ( 0.000 0.000 5.764) 5.764 2.846 ( 0.000 0.000 -1.157) 1.157 2.963 ( 0.000 0.000 -1.385) 1.385 3.100 ( 0.000 0.000 -8.495) 8.495 3.187 ( 0.000 0.000 -11.251) 11.251 3.226 ( 0.000 0.000 7.120) 7.120 3.329 ( 0.000 0.000 2.553) 2.553 3.359 ( 0.000 0.000 5.323) 5.323 3.365 ( 0.000 0.000 5.677) 5.677 3.504 ( 0.000 0.000 5.065) 5.065 3.521 ( 0.000 0.000 9.290) 9.290 3.588 ( 0.000 0.000 1.325) 1.325 3.611 ( 0.000 0.000 4.223) 4.223 3.626 ( 0.000 0.000 -0.907) 0.907 3.778 ( 0.000 0.000 -5.487) 5.487 3.833 ( 0.000 0.000 0.809) 0.809 3.985 ( 0.000 0.000 -5.670) 5.670 4.001 ( 0.000 0.000 0.711) 0.711 4.007 ( 0.000 0.000 -5.777) 5.777 4.128 ( 0.000 0.000 -9.677) 9.677 4.328 ( 0.000 0.000 -5.843) 5.843 4.352 ( 0.000 0.000 -1.189) 1.189 4.454 ( 0.000 0.000 -7.813) 7.813 4.631 ( 0.000 0.000 3.521) 3.521 4.680 ( 0.000 0.000 0.692) 0.692 4.709 ( 0.000 0.000 4.460) 4.460 4.759 ( 0.000 0.000 -2.354) 2.354 4.777 ( 0.000 0.000 0.026) 0.026 4.789 ( 0.000 0.000 -3.082) 3.082 4.889 ( 0.000 0.000 -1.804) 1.804 4.905 ( 0.000 0.000 -3.550) 3.550 5.082 ( 0.000 0.000 2.808) 2.808 5.086 ( 0.000 0.000 -0.850) 0.850 5.098 ( 0.000 0.000 2.548) 2.548 5.105 ( 0.000 0.000 1.872) 1.872 5.174 ( 0.000 0.000 0.463) 0.463 5.259 ( 0.000 0.000 3.327) 3.327 5.329 ( 0.000 0.000 -1.357) 1.357 5.354 ( 0.000 0.000 -1.340) 1.340 5.702 ( 0.000 0.000 0.206) 0.206 5.704 ( 0.000 0.000 0.079) 0.079 5.802 ( 0.000 0.000 2.280) 2.280 5.812 ( 0.000 0.000 -2.568) 2.568 6.250 ( 0.000 0.000 2.600) 2.600 6.491 ( 0.000 0.000 -6.526) 6.526 7.977 ( 0.000 0.000 2.440) 2.440 8.053 ( 0.000 0.000 0.070) 0.070 8.067 ( 0.000 0.000 1.973) 1.973 8.130 ( 0.000 0.000 2.668) 2.668 8.163 ( 0.000 0.000 -2.700) 2.700 8.166 ( 0.000 0.000 2.496) 2.496 8.240 ( 0.000 0.000 -2.628) 2.628 8.333 ( 0.000 0.000 -0.723) 0.723 8.378 ( 0.000 0.000 0.207) 0.207 8.396 ( 0.000 0.000 -2.502) 2.502 8.436 ( 0.000 0.000 0.819) 0.819 8.484 ( 0.000 0.000 -3.469) 3.469 9.276 ( 0.000 0.000 2.671) 2.671 9.296 ( 0.000 0.000 1.853) 1.853 9.508 ( 0.000 0.000 4.817) 4.817 9.681 ( 0.000 0.000 -4.150) 4.150 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 1.463 0.000 1.962) 2.447 1.045 ( -1.211 0.000 4.975) 5.121 1.138 ( 2.988 0.000 15.488) 15.774 1.178 ( 0.593 0.000 -1.444) 1.561 1.226 ( -0.857 0.000 -4.136) 4.224 1.237 ( -2.696 0.000 0.824) 2.819 1.284 ( 0.113 0.000 3.548) 3.550 1.309 ( 4.033 0.000 -1.048) 4.167 1.402 ( -3.849 0.000 -2.195) 4.431 1.562 ( -7.461 0.000 4.908) 8.931 1.744 ( 4.718 0.000 -3.867) 6.100 1.805 ( 3.964 0.000 -10.104) 10.853 1.838 ( 3.111 0.000 -15.115) 15.432 1.882 ( 2.651 0.000 -2.172) 3.427 1.956 ( 0.231 0.000 -6.237) 6.242 2.059 ( -3.026 0.000 -4.439) 5.373 2.124 ( 1.923 0.000 15.930) 16.045 2.195 ( -0.172 0.000 8.401) 8.403 2.389 ( -3.490 0.000 -2.390) 4.230 2.449 ( -4.006 0.000 3.735) 5.477 2.591 ( 0.025 0.000 10.859) 10.859 2.683 ( 5.169 0.000 3.560) 6.276 2.724 ( -7.551 0.000 6.003) 9.646 2.794 ( -0.731 0.000 1.180) 1.388 2.876 ( 3.972 0.000 -5.370) 6.680 2.910 ( -2.947 0.000 -1.608) 3.357 3.051 ( -8.527 0.000 -8.499) 12.040 3.067 ( -3.575 0.000 -9.365) 10.024 3.324 ( 6.876 0.000 6.471) 9.442 3.384 ( 2.052 0.000 6.367) 6.690 3.389 ( 5.403 0.000 2.538) 5.969 3.437 ( 2.060 0.000 3.831) 4.350 3.502 ( -2.736 0.000 9.576) 9.959 3.562 ( -0.651 0.000 1.595) 1.722 3.566 ( 0.762 0.000 5.175) 5.231 3.604 ( -1.315 0.000 3.568) 3.803 3.635 ( 7.062 0.000 -3.777) 8.009 3.805 ( 2.389 0.000 -4.088) 4.735 3.842 ( 0.494 0.000 -1.085) 1.192 4.002 ( 2.233 0.000 -1.756) 2.841 4.037 ( 2.194 0.000 -1.651) 2.746 4.043 ( 4.648 0.000 -5.695) 7.351 4.062 ( -7.092 0.000 -6.849) 9.859 4.295 ( -3.972 0.000 -6.308) 7.455 4.350 ( 0.242 0.000 -1.833) 1.849 4.433 ( -2.377 0.000 -6.473) 6.895 4.620 ( 0.309 0.000 0.082) 0.320 4.684 ( -1.925 0.000 0.793) 2.082 4.708 ( -2.508 0.000 -3.175) 4.046 4.726 ( -6.116 0.000 -0.798) 6.168 4.730 ( 2.461 0.000 1.575) 2.922 4.804 ( 0.120 0.000 -0.935) 0.943 4.824 ( 1.921 0.000 -0.359) 1.954 4.952 ( -4.747 0.000 -2.382) 5.311 5.055 ( 3.572 0.000 0.575) 3.618 5.097 ( 0.049 0.000 2.236) 2.236 5.101 ( 0.315 0.000 0.458) 0.556 5.105 ( -0.092 0.000 1.813) 1.816 5.197 ( 0.638 0.000 -1.389) 1.528 5.248 ( -1.401 0.000 0.668) 1.552 5.399 ( 7.715 0.000 2.694) 8.172 5.452 ( 8.211 0.000 -0.522) 8.228 5.702 ( 0.039 0.000 0.188) 0.192 5.704 ( -0.031 0.000 0.097) 0.102 5.752 ( -5.464 0.000 2.284) 5.922 5.764 ( -4.684 0.000 -1.222) 4.841 6.279 ( 3.022 0.000 0.949) 3.168 6.445 ( -4.457 0.000 -5.023) 6.715 7.995 ( 1.920 0.000 2.764) 3.365 8.065 ( 0.047 0.000 1.818) 1.819 8.072 ( 0.561 0.000 1.915) 1.996 8.111 ( -1.395 0.000 1.774) 2.256 8.184 ( 1.615 0.000 -1.897) 2.491 8.185 ( 2.890 0.000 -0.978) 3.051 8.233 ( -0.783 0.000 -2.480) 2.600 8.322 ( -1.572 0.000 -2.239) 2.736 8.378 ( 0.036 0.000 0.065) 0.074 8.390 ( -0.536 0.000 -2.178) 2.243 8.438 ( 0.213 0.000 0.813) 0.841 8.468 ( -1.464 0.000 -1.766) 2.294 9.285 ( 0.811 0.000 2.669) 2.789 9.300 ( 0.332 0.000 2.061) 2.087 9.521 ( 1.574 0.000 3.726) 4.045 9.645 ( -3.613 0.000 -2.559) 4.427 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -2.662 0.000 2.199) 3.453 1.006 ( 2.662 0.000 2.199) 3.453 1.186 ( -2.532 0.000 6.508) 6.984 1.186 ( 2.532 0.000 6.508) 6.984 1.200 ( -1.575 0.000 -2.958) 3.351 1.200 ( 1.575 0.000 -2.958) 3.351 1.326 ( -4.148 0.000 0.728) 4.211 1.326 ( 4.148 0.000 0.728) 4.211 1.421 ( -7.458 0.000 3.423) 8.206 1.421 ( 7.458 0.000 3.423) 8.206 1.829 ( -3.678 0.000 -8.977) 9.701 1.829 ( 3.678 0.000 -8.977) 9.701 1.879 ( -3.015 0.000 -8.296) 8.827 1.879 ( 3.015 0.000 -8.296) 8.827 1.997 ( -3.480 0.000 -3.233) 4.750 1.997 ( 3.480 0.000 -3.233) 4.750 2.170 ( -2.523 0.000 11.067) 11.351 2.170 ( 2.523 0.000 11.067) 11.351 2.379 ( -2.491 0.000 4.078) 4.778 2.379 ( 2.491 0.000 4.078) 4.778 2.614 ( -3.500 0.000 9.635) 10.251 2.614 ( 3.500 0.000 9.635) 10.251 2.759 ( -3.033 0.000 2.332) 3.826 2.759 ( 3.033 0.000 2.332) 3.826 2.925 ( -4.582 0.000 -6.281) 7.775 2.925 ( 4.582 0.000 -6.281) 7.775 2.976 ( -5.939 0.000 -9.301) 11.035 2.976 ( 5.939 0.000 -9.301) 11.035 3.421 ( -3.103 0.000 5.114) 5.982 3.421 ( 3.103 0.000 5.114) 5.982 3.437 ( -3.573 0.000 7.542) 8.345 3.437 ( 3.573 0.000 7.542) 8.345 3.496 ( -5.483 0.000 2.908) 6.207 3.496 ( 5.483 0.000 2.908) 6.207 3.574 ( -1.500 0.000 3.334) 3.656 3.574 ( 1.500 0.000 3.334) 3.656 3.809 ( -5.265 0.000 -7.046) 8.796 3.809 ( 5.265 0.000 -7.046) 8.796 3.892 ( -9.084 0.000 1.554) 9.216 3.892 ( 9.084 0.000 1.554) 9.216 4.044 ( -1.520 0.000 -0.827) 1.731 4.044 ( 1.520 0.000 -0.827) 1.731 4.176 ( -8.383 0.000 -7.060) 10.960 4.176 ( 8.383 0.000 -7.060) 10.960 4.379 ( -2.855 0.000 -4.065) 4.967 4.379 ( 2.855 0.000 -4.065) 4.967 4.650 ( -2.769 0.000 -2.972) 4.062 4.650 ( 2.769 0.000 -2.972) 4.062 4.664 ( -0.523 0.000 -1.918) 1.988 4.664 ( 0.523 0.000 -1.918) 1.988 4.783 ( -2.282 0.000 1.203) 2.579 4.783 ( 2.282 0.000 1.203) 2.579 4.872 ( -3.282 0.000 0.006) 3.282 4.872 ( 3.282 0.000 0.006) 3.282 5.101 ( -0.975 0.000 0.035) 0.976 5.101 ( 0.972 0.000 0.043) 0.973 5.101 ( -0.288 0.000 1.819) 1.842 5.101 ( 0.291 0.000 1.812) 1.836 5.214 ( -1.768 0.000 -1.484) 2.308 5.214 ( 1.768 0.000 -1.484) 2.308 5.544 ( -3.863 0.000 2.612) 4.663 5.544 ( 3.863 0.000 2.612) 4.663 5.671 ( -2.292 0.000 0.549) 2.357 5.671 ( 2.292 0.000 0.549) 2.357 5.703 ( -0.050 0.000 0.142) 0.151 5.703 ( 0.050 0.000 0.142) 0.151 6.354 ( -4.953 0.000 -2.086) 5.374 6.354 ( 4.953 0.000 -2.086) 5.374 8.038 ( -2.406 0.000 3.217) 4.017 8.038 ( 2.406 0.000 3.217) 4.017 8.088 ( -1.078 0.000 1.777) 2.078 8.088 ( 1.078 0.000 1.777) 2.078 8.212 ( -1.391 0.000 -2.120) 2.536 8.212 ( 1.391 0.000 -2.120) 2.536 8.264 ( -4.564 0.000 -4.447) 6.372 8.264 ( 4.564 0.000 -4.447) 6.372 8.381 ( -0.346 0.000 -0.547) 0.648 8.381 ( 0.346 0.000 -0.547) 0.648 8.446 ( -0.777 0.000 0.452) 0.899 8.446 ( 0.777 0.000 0.452) 0.899 9.299 ( -0.560 0.000 2.513) 2.575 9.299 ( 0.560 0.000 2.513) 2.575 9.571 ( -3.823 0.000 0.774) 3.901 9.571 ( 3.823 0.000 0.774) 3.901 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.17 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.000 8.862 0.631) 8.884 1.140 ( 0.000 5.605 15.321) 16.314 1.157 ( 0.000 7.986 13.597) 15.769 1.239 ( 0.000 4.319 -2.748) 5.119 1.279 ( 0.000 1.924 -0.643) 2.029 1.290 ( 0.000 5.345 -1.305) 5.502 1.314 ( 0.000 3.451 1.276) 3.679 1.326 ( 0.000 3.905 0.046) 3.906 1.462 ( 0.000 1.098 -1.821) 2.126 1.591 ( 0.000 -3.978 3.923) 5.587 1.685 ( 0.000 -1.610 -0.328) 1.643 1.793 ( 0.000 1.391 -11.668) 11.750 1.834 ( 0.000 5.563 -13.532) 14.631 1.877 ( 0.000 3.314 -1.413) 3.603 1.970 ( 0.000 1.157 -8.351) 8.431 2.097 ( 0.000 0.398 -4.786) 4.802 2.128 ( 0.000 1.998 11.672) 11.842 2.148 ( 0.000 -3.459 6.256) 7.148 2.386 ( 0.000 -7.942 -0.048) 7.942 2.447 ( 0.000 -4.317 4.827) 6.476 2.469 ( 0.000 -2.397 -4.801) 5.366 2.661 ( 0.000 -1.094 7.785) 7.861 2.797 ( 0.000 -1.107 -2.017) 2.301 2.831 ( 0.000 3.641 1.819) 4.071 2.877 ( 0.000 -6.818 -8.568) 10.949 2.920 ( 0.000 2.694 3.057) 4.075 3.110 ( 0.000 1.150 1.554) 1.933 3.181 ( 0.000 -3.597 -1.951) 4.092 3.206 ( 0.000 -3.578 -1.160) 3.761 3.213 ( 0.000 1.745 6.593) 6.820 3.368 ( 0.000 1.192 6.831) 6.935 3.380 ( 0.000 2.016 2.272) 3.037 3.553 ( 0.000 0.996 10.765) 10.811 3.613 ( 0.000 4.506 2.348) 5.081 3.614 ( 0.000 -0.075 -3.415) 3.416 3.659 ( 0.000 1.105 -1.185) 1.620 3.686 ( 0.000 -0.980 -1.753) 2.008 3.785 ( 0.000 7.067 0.952) 7.131 3.815 ( 0.000 3.131 1.970) 3.699 3.919 ( 0.000 -4.981 -9.227) 10.486 3.993 ( 0.000 0.604 -5.256) 5.290 4.036 ( 0.000 0.405 2.613) 2.644 4.111 ( 0.000 -0.490 -5.715) 5.736 4.278 ( 0.000 -1.394 -3.279) 3.563 4.453 ( 0.000 5.679 -2.444) 6.183 4.466 ( 0.000 1.625 -4.665) 4.940 4.630 ( 0.000 0.388 0.667) 0.772 4.667 ( 0.000 -2.464 2.694) 3.651 4.678 ( 0.000 -0.803 0.257) 0.843 4.732 ( 0.000 -1.815 -2.953) 3.466 4.792 ( 0.000 0.942 0.775) 1.220 4.820 ( 0.000 0.994 -0.077) 0.997 4.913 ( 0.000 1.877 -2.068) 2.793 4.929 ( 0.000 2.010 -2.584) 3.274 5.042 ( 0.000 -3.090 2.593) 4.034 5.062 ( 0.000 -2.524 -0.694) 2.618 5.092 ( 0.000 -0.077 1.214) 1.217 5.099 ( 0.000 -1.241 1.932) 2.297 5.176 ( 0.000 0.193 -1.157) 1.173 5.227 ( 0.000 -3.412 2.196) 4.058 5.312 ( 0.000 -1.319 0.033) 1.319 5.346 ( 0.000 -0.787 -0.366) 0.868 5.671 ( 0.000 -2.467 2.698) 3.656 5.748 ( 0.000 4.198 -1.163) 4.356 5.778 ( 0.000 -2.258 3.243) 3.951 5.847 ( 0.000 2.801 -4.108) 4.972 6.198 ( 0.000 -4.460 0.711) 4.517 6.393 ( 0.000 -8.256 -5.694) 10.030 7.973 ( 0.000 -0.147 2.057) 2.063 8.041 ( 0.000 -0.931 -0.533) 1.073 8.103 ( 0.000 1.930 2.555) 3.202 8.143 ( 0.000 -1.268 3.600) 3.817 8.192 ( 0.000 5.596 0.113) 5.597 8.207 ( 0.000 3.504 -2.321) 4.203 8.273 ( 0.000 2.332 -2.708) 3.574 8.344 ( 0.000 1.256 -0.923) 1.559 8.396 ( 0.000 0.114 -1.841) 1.845 8.398 ( 0.000 1.603 0.006) 1.603 8.433 ( 0.000 0.105 0.318) 0.335 8.473 ( 0.000 -1.013 -3.535) 3.678 9.277 ( 0.000 0.225 2.545) 2.555 9.290 ( 0.000 -0.362 2.011) 2.043 9.479 ( 0.000 -2.632 4.518) 5.229 9.620 ( 0.000 -5.362 -2.505) 5.919 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.17 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 1.263 9.374 1.711) 9.612 1.141 ( -0.219 4.302 7.624) 8.757 1.175 ( 1.342 6.805 13.177) 14.891 1.234 ( -1.629 1.584 2.649) 3.490 1.249 ( -1.551 5.405 -1.438) 5.804 1.265 ( -0.892 2.993 -3.528) 4.712 1.314 ( 0.953 3.398 -1.371) 3.786 1.365 ( 2.275 4.820 1.967) 5.681 1.411 ( -3.424 0.953 -0.270) 3.564 1.546 ( -5.486 -1.122 6.457) 8.547 1.732 ( 5.517 -1.542 -2.445) 6.228 1.820 ( 2.396 1.729 -11.294) 11.674 1.863 ( 1.564 3.049 -13.655) 14.079 1.910 ( 1.544 2.101 -3.402) 4.286 1.980 ( 1.386 1.963 -5.410) 5.920 2.050 ( -3.922 -1.110 -1.873) 4.486 2.136 ( 1.901 0.664 11.239) 11.418 2.177 ( 2.078 -0.475 4.508) 4.986 2.357 ( -3.259 -3.418 0.994) 4.827 2.403 ( -3.889 -3.630 2.819) 6.021 2.488 ( 2.571 -5.572 1.780) 6.390 2.663 ( -1.546 -2.603 3.785) 4.847 2.758 ( -5.208 -3.427 -2.880) 6.867 2.805 ( -2.187 -3.028 -3.040) 4.816 2.845 ( 2.518 3.214 0.663) 4.136 2.930 ( -1.198 3.293 0.268) 3.514 3.101 ( -3.471 4.589 -0.552) 5.780 3.118 ( -1.790 3.295 -4.478) 5.840 3.234 ( 3.931 -5.995 4.927) 8.699 3.275 ( 5.090 -2.277 4.837) 7.382 3.374 ( 2.819 -1.330 5.619) 6.425 3.479 ( -4.466 -0.913 8.769) 9.883 3.533 ( 6.021 0.594 1.751) 6.298 3.580 ( -1.644 1.124 -4.317) 4.754 3.616 ( -2.242 -1.219 -2.486) 3.562 3.662 ( 0.742 2.313 1.188) 2.704 3.704 ( 3.083 6.855 6.102) 9.681 3.817 ( 1.516 3.658 3.368) 5.199 3.831 ( 2.774 1.514 -2.310) 3.915 3.921 ( 0.250 -4.167 -9.953) 10.793 4.012 ( -0.157 -1.292 -1.026) 1.657 4.040 ( 1.915 0.358 -2.015) 2.803 4.108 ( 0.155 1.068 -4.052) 4.193 4.251 ( -3.418 -1.620 -3.298) 5.018 4.432 ( -1.432 5.516 -1.826) 5.985 4.455 ( -1.331 2.372 -3.943) 4.791 4.641 ( 1.652 1.596 -1.462) 2.723 4.655 ( -0.761 -1.402 -0.173) 1.605 4.706 ( 0.663 -2.090 1.019) 2.418 4.730 ( -0.824 -0.055 0.495) 0.963 4.768 ( -0.956 -0.050 -1.113) 1.468 4.769 ( -4.309 2.344 -2.080) 5.328 4.855 ( 0.093 1.438 -0.589) 1.556 4.945 ( -4.919 -0.976 -0.426) 5.033 5.043 ( 2.434 -0.990 0.478) 2.670 5.068 ( 0.384 -2.695 -0.984) 2.894 5.075 ( -0.008 -1.851 1.797) 2.580 5.091 ( -0.886 -1.531 1.273) 2.179 5.192 ( 0.483 -0.806 -2.128) 2.326 5.226 ( -0.626 -2.390 -0.359) 2.497 5.386 ( 7.837 -0.929 3.553) 8.655 5.439 ( 7.627 -0.980 0.572) 7.711 5.653 ( -2.114 -3.073 3.033) 4.808 5.732 ( -4.906 -2.175 3.483) 6.397 5.754 ( 0.677 4.513 -1.449) 4.788 5.820 ( -2.516 3.919 -3.644) 5.913 6.221 ( 2.454 -4.948 -0.522) 5.548 6.357 ( -3.554 -7.527 -4.771) 9.594 7.992 ( 1.920 -0.122 2.399) 3.075 8.050 ( 0.285 -0.643 1.102) 1.307 8.106 ( 0.226 1.553 2.444) 2.904 8.129 ( -1.246 -0.438 2.764) 3.063 8.207 ( 1.815 4.224 -2.037) 5.028 8.219 ( 1.016 3.180 -2.013) 3.899 8.270 ( -0.168 2.464 -2.734) 3.684 8.332 ( -1.561 1.072 -2.543) 3.170 8.394 ( -0.046 0.906 -0.891) 1.271 8.400 ( -0.040 1.368 -0.884) 1.629 8.434 ( 0.105 -0.145 0.514) 0.544 8.459 ( -1.225 -0.723 -1.936) 2.402 9.284 ( 0.665 0.079 2.576) 2.662 9.296 ( 0.381 -0.310 2.160) 2.215 9.489 ( 1.260 -2.870 3.631) 4.797 9.591 ( -2.956 -4.796 -1.321) 5.787 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.17 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -1.370 8.033 2.660) 8.573 1.127 ( 1.370 8.033 2.660) 8.573 1.193 ( -1.340 1.561 4.402) 4.859 1.193 ( 1.340 1.561 4.402) 4.859 1.252 ( -0.578 4.730 -1.317) 4.944 1.252 ( 0.578 4.730 -1.317) 4.944 1.349 ( -2.872 2.359 1.111) 3.879 1.349 ( 2.872 2.359 1.111) 3.879 1.439 ( -5.301 2.089 5.234) 7.736 1.439 ( 5.301 2.089 5.234) 7.736 1.834 ( -3.852 0.234 -7.229) 8.194 1.834 ( 3.852 0.234 -7.229) 8.194 1.881 ( -3.019 0.667 -8.431) 8.981 1.881 ( 3.019 0.667 -8.431) 8.981 2.010 ( -1.266 0.995 -2.290) 2.800 2.010 ( 1.266 0.995 -2.290) 2.800 2.183 ( -2.244 1.276 8.190) 8.587 2.183 ( 2.244 1.276 8.190) 8.587 2.335 ( -2.241 -3.527 1.896) 4.589 2.335 ( 2.241 -3.527 1.896) 4.589 2.565 ( -5.959 -3.420 3.787) 7.845 2.565 ( 5.959 -3.420 3.787) 7.845 2.756 ( -2.476 -5.406 -4.530) 7.475 2.756 ( 2.476 -5.406 -4.530) 7.475 2.894 ( -2.363 4.742 0.930) 5.379 2.894 ( 2.363 4.742 0.930) 5.379 3.083 ( -1.530 5.676 -2.726) 6.480 3.083 ( 1.530 5.676 -2.726) 6.480 3.310 ( -2.886 -4.239 5.155) 7.272 3.310 ( 2.886 -4.239 5.155) 7.272 3.426 ( -1.773 -3.302 8.030) 8.861 3.426 ( 1.773 -3.302 8.030) 8.861 3.528 ( -1.312 1.326 -4.295) 4.682 3.528 ( 1.312 1.326 -4.295) 4.682 3.663 ( -1.420 1.950 1.230) 2.707 3.663 ( 1.420 1.950 1.230) 2.707 3.795 ( -4.629 0.944 6.752) 8.241 3.795 ( 4.629 0.944 6.752) 8.241 3.881 ( -3.044 2.950 -6.505) 7.764 3.881 ( 3.044 2.950 -6.505) 7.764 4.053 ( -2.057 -3.234 -4.296) 5.758 4.053 ( 2.057 -3.234 -4.296) 5.758 4.151 ( -5.756 0.609 -1.936) 6.103 4.151 ( 5.756 0.609 -1.936) 6.103 4.428 ( -1.081 4.271 -2.636) 5.134 4.428 ( 1.081 4.271 -2.636) 5.134 4.661 ( -1.820 0.321 -0.416) 1.895 4.661 ( 1.820 0.321 -0.416) 1.895 4.692 ( -3.590 1.906 -3.184) 5.163 4.692 ( 3.590 1.906 -3.184) 5.163 4.762 ( -1.374 -0.995 -0.643) 1.814 4.762 ( 1.374 -0.995 -0.643) 1.814 4.872 ( -2.238 -0.326 1.283) 2.601 4.872 ( 2.238 -0.326 1.283) 2.601 5.071 ( -0.671 -2.245 -0.242) 2.355 5.071 ( 0.671 -2.245 -0.242) 2.355 5.078 ( -0.443 -2.182 1.063) 2.468 5.078 ( 0.443 -2.182 1.063) 2.468 5.206 ( -1.208 -1.281 -1.990) 2.657 5.206 ( 1.208 -1.281 -1.990) 2.657 5.523 ( -3.554 -1.342 3.247) 4.997 5.523 ( 3.554 -1.342 3.247) 4.997 5.628 ( -3.846 -2.719 3.208) 5.698 5.628 ( 3.846 -2.719 3.208) 5.698 5.776 ( -1.858 4.969 -2.504) 5.866 5.776 ( 1.858 4.969 -2.504) 5.866 6.283 ( -4.041 -6.123 -2.775) 7.844 6.283 ( 4.041 -6.123 -2.775) 7.844 8.032 ( -2.084 -0.154 2.850) 3.534 8.032 ( 2.084 -0.154 2.850) 3.534 8.112 ( -0.513 0.797 2.189) 2.385 8.112 ( 0.513 0.797 2.189) 2.385 8.233 ( -0.090 2.659 -2.640) 3.748 8.233 ( 0.090 2.659 -2.640) 3.748 8.288 ( -2.608 1.852 -4.122) 5.218 8.288 ( 2.608 1.852 -4.122) 5.218 8.396 ( -0.281 1.419 -0.785) 1.646 8.396 ( 0.281 1.419 -0.785) 1.646 8.440 ( -0.663 -0.408 0.318) 0.841 8.440 ( 0.663 -0.408 0.318) 0.841 9.296 ( -0.426 -0.158 2.498) 2.539 9.296 ( 0.426 -0.158 2.498) 2.539 9.530 ( -3.142 -3.677 1.256) 4.997 9.530 ( 3.142 -3.677 1.256) 4.997 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.33 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 4.976 6.518) 8.201 1.295 ( 0.000 3.577 10.493) 11.086 1.299 ( 0.000 4.718 4.943) 6.833 1.314 ( 0.000 4.028 3.801) 5.538 1.323 ( 0.000 2.283 -1.951) 3.003 1.388 ( 0.000 3.360 1.515) 3.686 1.434 ( 0.000 3.171 -0.099) 3.173 1.483 ( 0.000 1.759 0.741) 1.909 1.486 ( 0.000 5.639 4.731) 7.361 1.524 ( 0.000 4.522 5.237) 6.919 1.628 ( 0.000 -3.434 -0.163) 3.438 1.865 ( 0.000 3.629 -9.322) 10.003 1.945 ( 0.000 4.283 -12.659) 13.364 1.947 ( 0.000 2.902 0.825) 3.017 2.028 ( 0.000 4.673 -8.251) 9.482 2.077 ( 0.000 -3.062 2.842) 4.178 2.100 ( 0.000 -0.501 -2.826) 2.870 2.162 ( 0.000 0.717 -5.544) 5.590 2.213 ( 0.000 -6.370 3.319) 7.183 2.389 ( 0.000 -5.408 -4.416) 6.982 2.416 ( 0.000 1.891 2.623) 3.234 2.623 ( 0.000 -1.428 1.146) 1.830 2.649 ( 0.000 -9.241 -9.529) 13.274 2.793 ( 0.000 -4.351 -1.658) 4.656 2.913 ( 0.000 3.541 2.183) 4.159 2.950 ( 0.000 2.104 1.595) 2.640 3.070 ( 0.000 -4.229 3.006) 5.189 3.133 ( 0.000 -2.322 -7.129) 7.498 3.191 ( 0.000 1.379 8.060) 8.177 3.326 ( 0.000 6.627 6.313) 9.153 3.375 ( 0.000 -0.839 11.246) 11.277 3.414 ( 0.000 1.541 4.606) 4.857 3.557 ( 0.000 -3.759 5.339) 6.530 3.577 ( 0.000 -0.391 -3.625) 3.646 3.621 ( 0.000 -3.126 -2.040) 3.733 3.662 ( 0.000 4.413 -2.039) 4.861 3.674 ( 0.000 -0.004 -4.615) 4.615 3.768 ( 0.000 -3.445 -2.098) 4.033 3.913 ( 0.000 -0.841 -4.585) 4.662 3.971 ( 0.000 -4.566 -2.984) 5.455 4.011 ( 0.000 6.524 3.888) 7.595 4.066 ( 0.000 8.612 2.041) 8.851 4.200 ( 0.000 8.522 -0.311) 8.528 4.266 ( 0.000 -0.251 -1.386) 1.409 4.538 ( 0.000 4.805 -1.246) 4.964 4.556 ( 0.000 3.765 -1.695) 4.129 4.609 ( 0.000 -2.602 2.266) 3.451 4.647 ( 0.000 -1.586 0.062) 1.587 4.651 ( 0.000 0.982 -1.974) 2.205 4.709 ( 0.000 -0.893 -3.622) 3.731 4.787 ( 0.000 -0.476 2.026) 2.081 4.824 ( 0.000 -0.404 1.757) 1.803 4.936 ( 0.000 -0.935 -0.341) 0.995 4.948 ( 0.000 -1.454 2.553) 2.938 4.985 ( 0.000 -0.920 1.132) 1.459 5.002 ( 0.000 -2.421 -6.364) 6.809 5.049 ( 0.000 -3.279 0.745) 3.362 5.100 ( 0.000 -0.622 -1.182) 1.336 5.124 ( 0.000 -4.020 3.610) 5.403 5.177 ( 0.000 -0.330 -2.904) 2.923 5.288 ( 0.000 -0.754 1.509) 1.686 5.320 ( 0.000 -1.672 1.654) 2.352 5.634 ( 0.000 -0.535 5.119) 5.147 5.715 ( 0.000 -3.485 4.827) 5.953 5.861 ( 0.000 6.232 -3.348) 7.075 5.912 ( 0.000 3.237 -5.175) 6.104 6.097 ( 0.000 -4.530 -3.248) 5.574 6.206 ( 0.000 -8.870 -5.581) 10.480 7.977 ( 0.000 0.596 1.361) 1.486 8.020 ( 0.000 -1.108 -0.597) 1.259 8.123 ( 0.000 -0.592 4.508) 4.547 8.125 ( 0.000 0.211 3.564) 3.571 8.279 ( 0.000 2.573 -1.425) 2.942 8.286 ( 0.000 2.443 -2.139) 3.247 8.325 ( 0.000 2.817 -3.420) 4.431 8.380 ( 0.000 0.627 -3.184) 3.245 8.411 ( 0.000 -0.007 0.509) 0.509 8.420 ( 0.000 3.188 0.623) 3.249 8.449 ( 0.000 -1.010 -3.631) 3.769 8.465 ( 0.000 2.123 -1.517) 2.609 9.290 ( 0.000 0.516 2.363) 2.418 9.292 ( 0.000 1.350 2.220) 2.598 9.412 ( 0.000 -3.413 3.841) 5.138 9.490 ( 0.000 -6.461 0.261) 6.466 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.33 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -0.870 2.818 3.929) 4.913 1.247 ( -3.064 2.011 0.177) 3.669 1.258 ( -4.260 1.640 -1.096) 4.694 1.290 ( -2.211 2.453 4.845) 5.863 1.343 ( 1.957 4.837 6.202) 8.105 1.391 ( 0.664 2.928 3.844) 4.878 1.417 ( -1.766 1.237 3.781) 4.352 1.451 ( -1.177 7.312 5.794) 9.403 1.528 ( 1.782 8.004 3.797) 9.036 1.545 ( 0.294 4.064 5.008) 6.456 1.681 ( 5.936 -2.993 -1.299) 6.774 1.867 ( -1.094 -0.126 -6.447) 6.540 1.948 ( 0.220 3.870 -9.311) 10.086 1.957 ( -0.028 3.708 -5.983) 7.039 2.007 ( -1.261 0.139 -1.096) 1.677 2.041 ( -0.443 1.920 -4.206) 4.645 2.136 ( 3.300 -0.249 -0.202) 3.316 2.200 ( 3.391 1.537 -5.028) 6.256 2.265 ( 2.214 -3.735 4.697) 6.396 2.365 ( -4.261 0.948 -0.862) 4.449 2.386 ( 0.492 -4.505 -3.496) 5.724 2.576 ( -0.438 -6.264 -4.202) 7.556 2.635 ( -6.425 -5.347 -6.799) 10.775 2.699 ( -5.175 -5.736 -3.358) 8.423 2.943 ( 2.957 4.297 4.195) 6.694 3.009 ( 2.880 3.391 2.731) 5.220 3.126 ( 4.807 -2.535 4.036) 6.769 3.174 ( 2.622 -0.605 -3.539) 4.446 3.191 ( 1.457 2.765 7.166) 7.818 3.315 ( -1.442 6.147 6.050) 8.745 3.347 ( 0.235 -2.034 4.788) 5.208 3.455 ( -0.666 -1.951 9.553) 9.773 3.509 ( -2.991 0.083 3.811) 4.846 3.529 ( -3.616 -4.339 -3.798) 6.806 3.590 ( -0.479 -2.962 -0.531) 3.047 3.645 ( -1.584 -0.017 -9.096) 9.233 3.772 ( 6.051 -2.038 -0.048) 6.385 3.813 ( 4.867 1.425 -0.432) 5.090 3.907 ( -0.012 -0.709 -3.850) 3.914 3.980 ( -0.094 -3.740 -4.452) 5.816 4.019 ( 0.758 7.231 3.294) 7.982 4.064 ( -0.578 8.268 2.227) 8.582 4.185 ( -0.964 6.171 -0.197) 6.249 4.245 ( -2.303 0.537 -1.121) 2.617 4.530 ( -0.723 4.248 -1.033) 4.431 4.537 ( -1.317 3.761 -1.024) 4.114 4.619 ( 0.631 -2.129 1.078) 2.468 4.646 ( -0.304 -2.360 -0.256) 2.393 4.675 ( 2.241 0.655 -1.071) 2.569 4.709 ( 1.006 -0.933 -2.175) 2.571 4.792 ( -3.339 0.646 1.235) 3.618 4.801 ( 0.417 1.196 -0.365) 1.318 4.895 ( -2.259 2.609 -1.048) 3.607 4.904 ( -3.922 -2.614 2.958) 5.564 5.002 ( 0.853 -2.744 -2.909) 4.089 5.018 ( 1.083 -1.661 -0.958) 2.202 5.040 ( -0.811 -2.204 0.432) 2.388 5.059 ( -2.246 -0.204 -0.764) 2.381 5.124 ( 0.676 -6.037 1.156) 6.184 5.160 ( -1.547 -3.499 -2.783) 4.731 5.375 ( 8.035 0.070 3.995) 8.974 5.416 ( 7.350 -1.257 1.677) 7.642 5.608 ( -2.887 -0.854 5.087) 5.911 5.672 ( -4.473 -3.149 4.656) 7.183 5.869 ( 0.808 6.201 -3.666) 7.249 5.905 ( -0.723 4.129 -4.979) 6.509 6.107 ( 1.130 -5.350 -3.576) 6.534 6.184 ( -2.168 -8.311 -5.224) 10.053 7.997 ( 2.007 0.660 1.754) 2.746 8.037 ( 1.482 -0.702 0.213) 1.653 8.107 ( -1.397 -0.769 3.731) 4.058 8.120 ( -0.776 -0.377 3.202) 3.316 8.287 ( 0.755 2.493 -1.658) 3.088 8.294 ( 0.901 2.586 -2.659) 3.817 8.319 ( -0.580 2.410 -2.979) 3.875 8.363 ( -1.719 1.046 -3.308) 3.872 8.418 ( 0.670 1.050 -0.127) 1.252 8.426 ( 0.568 1.778 0.160) 1.873 8.443 ( -0.613 -0.130 -2.499) 2.576 8.458 ( -0.752 1.614 -1.414) 2.274 9.293 ( 0.471 0.850 2.471) 2.656 9.300 ( 0.504 1.104 2.267) 2.572 9.415 ( 0.526 -3.841 3.355) 5.127 9.472 ( -1.755 -5.941 0.781) 6.244 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.33 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -2.189 1.414 0.058) 2.607 1.191 ( 2.189 1.414 0.058) 2.607 1.239 ( -2.088 0.311 -1.055) 2.360 1.239 ( 2.088 0.311 -1.055) 2.360 1.392 ( -2.773 5.653 8.020) 10.196 1.392 ( 2.773 5.653 8.020) 10.196 1.408 ( -1.342 2.690 6.714) 7.356 1.408 ( 1.342 2.690 6.714) 7.356 1.547 ( -0.263 8.275 3.632) 9.040 1.547 ( 0.263 8.275 3.632) 9.040 1.797 ( -5.882 -3.583 -0.858) 6.941 1.797 ( 5.882 -3.583 -0.858) 6.941 1.949 ( -0.170 4.813 -10.508) 11.559 1.949 ( 0.170 4.813 -10.508) 11.559 2.027 ( -1.577 0.717 -1.451) 2.260 2.027 ( 1.577 0.717 -1.451) 2.260 2.214 ( -4.145 1.525 1.511) 4.668 2.214 ( 4.145 1.525 1.511) 4.668 2.279 ( -2.398 -0.870 -2.947) 3.898 2.279 ( 2.398 -0.870 -2.947) 3.898 2.485 ( -8.060 -3.812 -3.172) 9.463 2.485 ( 8.060 -3.812 -3.172) 9.463 2.613 ( -3.833 -7.591 -6.696) 10.824 2.613 ( 3.833 -7.591 -6.696) 10.824 3.006 ( -2.681 5.010 4.753) 7.409 3.006 ( 2.681 5.010 4.753) 7.409 3.181 ( -0.708 0.830 4.929) 5.048 3.181 ( 0.708 0.830 4.929) 5.048 3.265 ( -4.371 1.781 1.919) 5.095 3.265 ( 4.371 1.781 1.919) 5.095 3.396 ( -3.768 0.653 6.967) 7.947 3.396 ( 3.768 0.653 6.967) 7.947 3.481 ( -0.678 -4.877 -1.330) 5.100 3.481 ( 0.678 -4.877 -1.330) 5.100 3.609 ( -1.963 -3.058 -3.032) 4.733 3.609 ( 1.963 -3.058 -3.032) 4.733 3.864 ( -2.719 0.607 0.215) 2.795 3.864 ( 2.719 0.607 0.215) 2.795 3.937 ( -4.194 -2.600 -5.217) 7.180 3.937 ( 4.194 -2.600 -5.217) 7.180 4.040 ( -1.630 8.385 2.592) 8.926 4.040 ( 1.630 8.385 2.592) 8.926 4.196 ( -2.258 2.735 -0.476) 3.578 4.196 ( 2.258 2.735 -0.476) 3.578 4.523 ( -0.158 3.945 -0.647) 4.001 4.523 ( 0.158 3.945 -0.647) 4.001 4.633 ( -0.869 -2.668 -0.095) 2.808 4.633 ( 0.869 -2.668 -0.095) 2.808 4.724 ( -3.296 1.110 -0.160) 3.482 4.724 ( 3.296 1.110 -0.160) 3.482 4.764 ( -4.120 -0.042 -1.666) 4.445 4.764 ( 4.120 -0.042 -1.666) 4.445 4.870 ( -0.580 1.398 1.080) 1.860 4.870 ( 0.580 1.398 1.080) 1.860 5.024 ( -1.399 -2.332 -2.167) 3.478 5.024 ( 1.399 -2.332 -2.167) 3.478 5.031 ( -0.562 -1.547 0.275) 1.669 5.031 ( 0.562 -1.547 0.275) 1.669 5.139 ( -0.915 -5.251 -0.977) 5.419 5.139 ( 0.915 -5.251 -0.977) 5.419 5.508 ( -4.072 0.027 4.001) 5.709 5.508 ( 4.072 0.027 4.001) 5.709 5.568 ( -4.914 -2.763 4.284) 7.080 5.568 ( 4.914 -2.763 4.284) 7.080 5.888 ( -1.075 5.604 -4.382) 7.195 5.888 ( 1.075 5.604 -4.382) 7.195 6.139 ( -2.310 -6.969 -4.390) 8.554 6.139 ( 2.310 -6.969 -4.390) 8.554 8.038 ( -1.926 0.779 2.347) 3.135 8.038 ( 1.926 0.779 2.347) 3.135 8.099 ( -1.070 -1.524 2.168) 2.858 8.099 ( 1.070 -1.524 2.168) 2.858 8.302 ( -0.758 2.711 -2.521) 3.779 8.302 ( 0.758 2.711 -2.521) 3.779 8.326 ( -1.957 1.543 -3.142) 4.010 8.326 ( 1.957 1.543 -3.142) 4.010 8.431 ( -0.652 1.457 -0.986) 1.877 8.431 ( 0.652 1.457 -0.986) 1.877 8.440 ( -0.989 0.766 -0.774) 1.471 8.440 ( 0.989 0.766 -0.774) 1.471 9.302 ( -0.297 1.032 2.491) 2.713 9.302 ( 0.297 1.032 2.491) 2.713 9.436 ( -1.817 -4.857 2.040) 5.573 9.436 ( 1.817 -4.857 2.040) 5.573 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 -0.50 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 -3.209 2.776) 4.243 1.293 ( 0.000 3.209 2.776) 4.243 1.348 ( 0.000 -0.051 0.878) 0.880 1.348 ( 0.000 0.051 0.878) 0.880 1.404 ( 0.000 -2.603 10.452) 10.771 1.404 ( 0.000 2.603 10.452) 10.771 1.443 ( 0.000 -0.821 5.250) 5.314 1.443 ( 0.000 0.821 5.250) 5.314 1.551 ( 0.000 -3.518 -2.234) 4.167 1.551 ( 0.000 3.518 -2.234) 4.167 1.785 ( 0.000 -10.776 1.598) 10.894 1.785 ( 0.000 10.776 1.598) 10.894 1.994 ( 0.000 -1.058 0.091) 1.062 1.994 ( 0.000 1.058 0.091) 1.062 2.056 ( 0.000 -2.550 -3.357) 4.216 2.056 ( 0.000 2.550 -3.357) 4.216 2.124 ( 0.000 -3.726 -11.256) 11.857 2.124 ( 0.000 3.726 -11.256) 11.857 2.248 ( 0.000 -7.275 -5.165) 8.922 2.248 ( 0.000 7.275 -5.165) 8.922 2.504 ( 0.000 -5.046 -4.724) 6.912 2.504 ( 0.000 5.046 -4.724) 6.912 2.665 ( 0.000 -6.144 0.117) 6.145 2.665 ( 0.000 6.144 0.117) 6.145 2.991 ( 0.000 -3.993 -0.762) 4.065 2.991 ( 0.000 3.993 -0.762) 4.065 3.025 ( 0.000 -5.088 -0.656) 5.130 3.025 ( 0.000 5.088 -0.656) 5.130 3.275 ( 0.000 -5.246 10.472) 11.713 3.275 ( 0.000 5.246 10.472) 11.713 3.463 ( 0.000 -2.897 1.548) 3.284 3.463 ( 0.000 2.897 1.548) 3.284 3.512 ( 0.000 -7.343 8.791) 11.454 3.512 ( 0.000 7.343 8.791) 11.454 3.610 ( 0.000 -2.444 -6.752) 7.181 3.610 ( 0.000 2.444 -6.752) 7.181 3.798 ( 0.000 -5.648 2.367) 6.124 3.798 ( 0.000 5.648 2.367) 6.124 3.838 ( 0.000 -2.559 -7.561) 7.982 3.838 ( 0.000 2.559 -7.561) 7.982 4.152 ( 0.000 -3.667 0.661) 3.726 4.152 ( 0.000 3.667 0.661) 3.726 4.287 ( 0.000 -1.903 3.071) 3.613 4.287 ( 0.000 1.903 3.071) 3.613 4.586 ( 0.000 -0.622 -1.121) 1.282 4.586 ( 0.000 0.622 -1.121) 1.282 4.619 ( 0.000 -1.793 -0.041) 1.794 4.619 ( 0.000 1.793 -0.041) 1.794 4.678 ( 0.000 -1.990 -2.885) 3.505 4.678 ( 0.000 1.990 -2.885) 3.505 4.808 ( 0.000 -1.876 1.687) 2.523 4.808 ( 0.000 1.876 1.687) 2.523 4.900 ( 0.000 -0.001 2.820) 2.820 4.900 ( 0.000 0.001 2.820) 2.820 4.989 ( 0.000 -1.079 -2.774) 2.976 4.989 ( 0.000 1.079 -2.774) 2.976 5.013 ( 0.000 -2.549 1.288) 2.856 5.013 ( 0.000 2.549 1.288) 2.856 5.154 ( 0.000 -1.939 -2.528) 3.186 5.154 ( 0.000 1.939 -2.528) 3.186 5.289 ( 0.000 -0.944 2.487) 2.660 5.289 ( 0.000 0.944 2.487) 2.660 5.652 ( 0.000 -2.160 5.393) 5.809 5.652 ( 0.000 2.160 5.393) 5.809 5.961 ( 0.000 -0.370 -4.383) 4.398 5.961 ( 0.000 0.370 -4.383) 4.398 6.057 ( 0.000 -3.533 -5.968) 6.935 6.057 ( 0.000 3.533 -5.968) 6.935 7.996 ( 0.000 -1.141 0.431) 1.220 7.996 ( 0.000 1.141 0.431) 1.220 8.121 ( 0.000 -0.323 3.985) 3.998 8.121 ( 0.000 0.323 3.985) 3.998 8.306 ( 0.000 -0.222 -1.324) 1.342 8.306 ( 0.000 0.222 -1.324) 1.342 8.372 ( 0.000 -1.230 -3.093) 3.328 8.372 ( 0.000 1.230 -3.093) 3.328 8.421 ( 0.000 -1.104 -1.233) 1.655 8.421 ( 0.000 1.104 -1.233) 1.655 8.481 ( 0.000 -1.072 -1.743) 2.046 8.481 ( 0.000 1.072 -1.743) 2.046 9.312 ( 0.000 -0.899 2.394) 2.557 9.312 ( 0.000 0.899 2.394) 2.557 9.384 ( 0.000 -2.652 2.354) 3.546 9.384 ( 0.000 2.652 2.354) 3.546 ======================= Grid point 122 (47/60) ======================= q-point: ( 0.25 -0.50 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -3.306 -2.052 0.889) 3.991 1.237 ( -3.306 2.052 0.889) 3.991 1.294 ( -4.945 -1.149 -2.189) 5.529 1.294 ( -4.945 1.149 -2.189) 5.529 1.418 ( 1.328 -1.769 10.325) 10.560 1.418 ( 1.328 1.769 10.325) 10.560 1.453 ( 0.517 -2.848 9.053) 9.504 1.453 ( 0.517 2.848 9.053) 9.504 1.618 ( 5.139 -3.283 -0.478) 6.117 1.618 ( 5.139 3.283 -0.478) 6.117 1.756 ( -2.590 -9.105 3.000) 9.930 1.756 ( -2.590 9.105 3.000) 9.930 2.004 ( 0.760 -0.347 -2.976) 3.091 2.004 ( 0.760 0.347 -2.976) 3.091 2.044 ( -1.139 -2.327 -6.210) 6.729 2.044 ( -1.139 2.327 -6.210) 6.729 2.168 ( 4.492 -3.758 -6.197) 8.526 2.168 ( 4.492 3.758 -6.197) 8.526 2.289 ( 3.182 -4.584 -4.053) 6.897 2.289 ( 3.182 4.584 -4.053) 6.897 2.448 ( -4.082 -5.470 -6.132) 9.175 2.448 ( -4.082 5.470 -6.132) 9.175 2.596 ( -6.404 -2.545 -3.876) 7.906 2.596 ( -6.404 2.545 -3.876) 7.906 3.019 ( 4.288 -2.895 3.450) 6.218 3.019 ( 4.288 2.895 3.450) 6.218 3.125 ( 5.474 -2.897 0.841) 6.250 3.125 ( 5.474 2.897 0.841) 6.250 3.261 ( 0.108 -4.406 7.862) 9.013 3.261 ( 0.108 4.406 7.862) 9.013 3.442 ( -3.305 -2.159 3.722) 5.425 3.442 ( -3.305 2.159 3.722) 5.425 3.488 ( -0.551 -6.814 4.346) 8.101 3.488 ( -0.551 6.814 4.346) 8.101 3.580 ( -3.434 -4.151 -3.648) 6.506 3.580 ( -3.434 4.151 -3.648) 6.506 3.819 ( 3.058 -4.920 -1.282) 5.933 3.819 ( 3.058 4.920 -1.282) 5.933 3.880 ( 2.353 -4.329 -4.823) 6.894 3.880 ( 2.353 4.329 -4.823) 6.894 4.160 ( 1.031 -3.668 0.520) 3.846 4.160 ( 1.031 3.668 0.520) 3.846 4.257 ( -2.998 -2.572 2.672) 4.769 4.257 ( -2.998 2.572 2.672) 4.769 4.579 ( -0.460 -1.684 -0.677) 1.872 4.579 ( -0.460 1.684 -0.677) 1.872 4.602 ( -1.466 -2.051 0.001) 2.521 4.602 ( -1.466 2.051 0.001) 2.521 4.689 ( 1.659 -0.858 -1.406) 2.338 4.689 ( 1.659 0.858 -1.406) 2.338 4.808 ( -1.939 -1.382 1.809) 2.991 4.808 ( -1.939 1.382 1.809) 2.991 4.907 ( 1.878 -3.179 0.287) 3.703 4.907 ( 1.878 3.179 0.287) 3.703 4.982 ( -0.805 -2.068 -2.674) 3.475 4.982 ( -0.805 2.068 -2.674) 3.475 5.017 ( 0.490 -2.416 1.247) 2.762 5.017 ( 0.490 2.416 1.247) 2.762 5.089 ( -4.017 -2.693 -1.386) 5.031 5.089 ( -4.017 2.693 -1.386) 5.031 5.389 ( 7.672 -1.171 2.698) 8.217 5.389 ( 7.672 1.171 2.698) 8.217 5.619 ( -3.641 -1.740 5.047) 6.462 5.619 ( -3.641 1.740 5.048) 6.462 5.974 ( 1.340 -0.620 -4.587) 4.819 5.974 ( 1.340 0.620 -4.587) 4.819 6.041 ( -1.577 -2.968 -5.714) 6.630 6.041 ( -1.577 2.968 -5.714) 6.630 8.017 ( 2.140 -1.161 0.897) 2.595 8.017 ( 2.140 1.161 0.897) 2.595 8.106 ( -1.645 -0.611 3.434) 3.857 8.106 ( -1.645 0.611 3.434) 3.857 8.314 ( 0.834 -0.287 -1.578) 1.808 8.314 ( 0.834 0.287 -1.578) 1.808 8.360 ( -1.185 -1.105 -2.825) 3.256 8.360 ( -1.185 1.105 -2.825) 3.256 8.431 ( 0.953 -0.631 -1.348) 1.767 8.431 ( 0.953 0.631 -1.348) 1.767 8.472 ( -0.911 -0.875 -1.642) 2.072 8.472 ( -0.911 0.875 -1.642) 2.072 9.322 ( 1.076 -1.152 2.414) 2.883 9.322 ( 1.076 1.152 2.414) 2.883 9.373 ( -1.119 -2.376 2.387) 3.549 9.373 ( -1.119 2.376 2.387) 3.549 ======================= Grid point 124 (48/60) ======================= q-point: (-0.50 -0.50 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -1.693 -1.380 -1.546) 2.676 1.222 ( -0.016 -1.090 -1.546) 1.891 1.222 ( 0.016 1.090 -1.546) 1.891 1.222 ( 1.693 1.380 -1.546) 2.676 1.445 ( -1.235 -0.289 9.895) 9.976 1.445 ( -1.103 0.081 9.895) 9.957 1.445 ( 1.104 -0.081 9.895) 9.957 1.445 ( 1.235 0.289 9.895) 9.976 1.700 ( -3.654 -5.815 2.604) 7.344 1.700 ( 3.651 -5.814 2.604) 7.342 1.700 ( -3.651 5.814 2.604) 7.342 1.700 ( 3.654 5.815 2.604) 7.344 2.021 ( -1.204 -2.009 -5.619) 6.088 2.021 ( 1.204 -2.009 -5.619) 6.088 2.021 ( -1.204 2.009 -5.619) 6.088 2.021 ( 1.204 2.009 -5.619) 6.088 2.266 ( -4.631 -2.042 -3.688) 6.262 2.266 ( -3.056 -1.068 -3.688) 4.907 2.266 ( 3.056 1.068 -3.688) 4.907 2.266 ( 4.631 2.042 -3.688) 6.262 2.471 ( -6.200 -4.236 -6.861) 10.171 2.471 ( 6.192 -4.233 -6.861) 10.165 2.471 ( -6.192 4.233 -6.861) 10.165 2.471 ( 6.200 4.236 -6.861) 10.171 3.111 ( -4.102 -4.956 5.411) 8.406 3.111 ( 1.599 -4.582 5.411) 7.268 3.111 ( -1.599 4.582 5.411) 7.268 3.111 ( 4.102 4.956 5.411) 8.406 3.346 ( -5.328 -3.730 3.708) 7.487 3.346 ( -2.330 -2.859 3.708) 5.230 3.346 ( 2.330 2.859 3.708) 5.230 3.346 ( 5.328 3.730 3.708) 7.487 3.513 ( -2.944 -5.879 0.163) 6.576 3.513 ( 2.888 -5.872 0.163) 6.546 3.513 ( -2.888 5.872 0.163) 6.546 3.513 ( 2.944 5.879 0.163) 6.576 3.880 ( -2.082 -1.866 -3.380) 4.386 3.880 ( 0.107 -1.550 -3.380) 3.720 3.880 ( -0.107 1.550 -3.380) 3.720 3.880 ( 2.082 1.866 -3.380) 4.386 4.197 ( -2.693 -4.132 1.274) 5.094 4.197 ( 1.833 -4.013 1.274) 4.592 4.197 ( -1.833 4.013 1.274) 4.592 4.197 ( 2.693 4.132 1.274) 5.094 4.580 ( -0.591 -2.267 -0.127) 2.346 4.580 ( 0.520 -2.263 -0.127) 2.325 4.580 ( -0.520 2.263 -0.127) 2.325 4.580 ( 0.591 2.267 -0.127) 2.346 4.742 ( -3.950 -1.208 0.752) 4.198 4.742 ( -3.763 1.048 0.752) 3.978 4.742 ( 3.763 -1.048 0.752) 3.978 4.742 ( 3.950 1.208 0.752) 4.198 4.954 ( -1.595 -5.095 -2.255) 5.795 4.954 ( 0.838 -5.049 -2.255) 5.593 4.954 ( -0.838 5.049 -2.255) 5.593 4.954 ( 1.595 5.095 -2.255) 5.795 5.036 ( -1.808 -2.576 0.419) 3.175 5.036 ( 1.752 -2.566 0.419) 3.135 5.036 ( -1.752 2.566 0.419) 3.135 5.036 ( 1.808 2.576 0.419) 3.175 5.524 ( -6.377 -1.240 4.043) 7.652 5.524 ( -5.955 0.487 4.043) 7.214 5.524 ( 5.955 -0.487 4.043) 7.214 5.524 ( 6.377 1.240 4.043) 7.652 6.006 ( -0.888 -5.876 -5.127) 7.849 6.006 ( 0.244 -5.861 -5.127) 7.791 6.006 ( -0.244 5.861 -5.127) 7.791 6.006 ( 0.888 5.876 -5.127) 7.849 8.064 ( -2.370 -1.506 2.123) 3.521 8.064 ( -0.657 -0.986 2.123) 2.432 8.064 ( 0.657 0.986 2.123) 2.432 8.064 ( 2.370 1.506 2.123) 3.521 8.335 ( -1.368 -0.676 -2.227) 2.700 8.335 ( -0.217 -0.009 -2.227) 2.238 8.335 ( 0.217 0.009 -2.227) 2.238 8.335 ( 1.368 0.676 -2.227) 2.700 8.452 ( -1.184 -0.322 -1.469) 1.914 8.452 ( -1.097 0.232 -1.469) 1.848 8.452 ( 1.097 -0.232 -1.469) 1.848 8.452 ( 1.184 0.322 -1.469) 1.914 9.347 ( -1.013 -3.347 2.427) 4.257 9.347 ( 0.491 -3.318 2.427) 4.140 9.347 ( -0.491 3.318 2.427) 4.140 9.347 ( 1.013 3.347 2.427) 4.257 ======================= Grid point 140 (49/60) ======================= 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.000 0.000 -4.557) 4.557 1.005 ( 0.000 0.000 4.557) 4.557 1.185 ( 0.000 0.000 -1.030) 1.030 1.185 ( 0.000 0.000 1.030) 1.030 1.318 ( 0.000 0.000 -3.558) 3.558 1.318 ( 0.000 0.000 3.558) 3.558 1.442 ( 0.000 0.000 -15.364) 15.364 1.442 ( 0.000 0.000 15.364) 15.364 1.457 ( 0.000 0.000 -13.588) 13.588 1.457 ( 0.000 0.000 13.588) 13.588 1.529 ( 0.000 0.000 -8.114) 8.114 1.529 ( 0.000 0.000 8.114) 8.114 1.823 ( 0.000 0.000 -4.594) 4.594 1.823 ( 0.000 0.000 4.594) 4.594 1.928 ( 0.000 0.000 -5.810) 5.810 1.928 ( 0.000 0.000 5.810) 5.810 2.287 ( 0.000 0.000 -0.071) 0.071 2.287 ( 0.000 0.000 0.071) 0.071 2.398 ( 0.000 0.000 -1.944) 1.944 2.398 ( 0.000 0.000 1.944) 1.944 2.791 ( 0.000 0.000 -2.097) 2.097 2.791 ( 0.000 0.000 2.097) 2.097 2.828 ( 0.000 0.000 -11.953) 11.953 2.828 ( 0.000 0.000 11.953) 11.953 2.886 ( 0.000 0.000 -9.607) 9.607 2.886 ( 0.000 0.000 9.607) 9.607 2.994 ( 0.000 0.000 -9.585) 9.585 2.994 ( 0.000 0.000 9.585) 9.585 3.369 ( 0.000 0.000 -1.419) 1.419 3.369 ( 0.000 0.000 1.419) 1.419 3.418 ( 0.000 0.000 -6.460) 6.460 3.418 ( 0.000 0.000 6.460) 6.460 3.502 ( 0.000 0.000 -6.241) 6.241 3.502 ( 0.000 0.000 6.241) 6.241 3.653 ( 0.000 0.000 -0.588) 0.588 3.653 ( 0.000 0.000 0.588) 0.588 3.669 ( 0.000 0.000 -6.235) 6.235 3.669 ( 0.000 0.000 6.235) 6.235 3.903 ( 0.000 0.000 -4.648) 4.648 3.903 ( 0.000 0.000 4.648) 4.648 3.973 ( 0.000 0.000 -3.065) 3.065 3.973 ( 0.000 0.000 3.065) 3.065 4.143 ( 0.000 0.000 -9.588) 9.588 4.143 ( 0.000 0.000 9.588) 9.588 4.348 ( 0.000 0.000 -1.954) 1.954 4.348 ( 0.000 0.000 1.954) 1.954 4.698 ( 0.000 0.000 -0.985) 0.985 4.698 ( 0.000 0.000 0.985) 0.985 4.726 ( 0.000 0.000 -1.125) 1.125 4.726 ( 0.000 0.000 1.125) 1.125 4.802 ( 0.000 0.000 -3.118) 3.118 4.802 ( 0.000 0.000 3.118) 3.118 4.835 ( 0.000 0.000 -1.581) 1.581 4.835 ( 0.000 0.000 1.581) 1.581 5.091 ( 0.000 0.000 -0.938) 0.938 5.091 ( 0.000 0.000 0.938) 0.938 5.124 ( 0.000 0.000 -0.101) 0.101 5.124 ( 0.000 0.000 0.101) 0.101 5.228 ( 0.000 0.000 -4.266) 4.266 5.228 ( 0.000 0.000 4.266) 4.266 5.351 ( 0.000 0.000 -0.838) 0.838 5.351 ( 0.000 0.000 0.838) 0.838 5.705 ( 0.000 0.000 -0.056) 0.056 5.705 ( 0.000 0.000 0.056) 0.056 5.795 ( 0.000 0.000 -1.081) 1.081 5.795 ( 0.000 0.000 1.081) 1.081 6.354 ( 0.000 0.000 -6.958) 6.958 6.354 ( 0.000 0.000 6.958) 6.958 8.025 ( 0.000 0.000 -2.265) 2.265 8.025 ( 0.000 0.000 2.265) 2.265 8.111 ( 0.000 0.000 -2.475) 2.475 8.111 ( 0.000 0.000 2.475) 2.475 8.185 ( 0.000 0.000 -2.874) 2.874 8.185 ( 0.000 0.000 2.874) 2.874 8.254 ( 0.000 0.000 -5.625) 5.625 8.254 ( 0.000 0.000 5.625) 5.625 8.375 ( 0.000 0.000 -0.277) 0.277 8.375 ( 0.000 0.000 0.277) 0.277 8.454 ( 0.000 0.000 -0.946) 0.946 8.454 ( 0.000 0.000 0.946) 0.946 9.309 ( 0.000 0.000 -0.523) 0.523 9.309 ( 0.000 0.000 0.523) 0.523 9.597 ( 0.000 0.000 -4.344) 4.344 9.597 ( 0.000 0.000 4.344) 4.344 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.25 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.211 0.000 -3.286) 3.292 1.008 ( 0.211 0.000 3.286) 3.292 1.172 ( -1.013 0.000 -1.010) 1.431 1.172 ( -1.013 0.000 1.010) 1.431 1.238 ( -5.767 0.000 -2.195) 6.170 1.238 ( -5.767 0.000 2.195) 6.170 1.471 ( 1.884 0.000 -9.327) 9.516 1.471 ( 1.884 0.000 9.327) 9.516 1.481 ( 3.559 0.000 -12.723) 13.212 1.481 ( 3.559 0.000 12.723) 13.212 1.594 ( 3.721 0.000 -5.274) 6.454 1.594 ( 3.721 0.000 5.274) 6.454 1.785 ( -3.561 0.000 -7.143) 7.981 1.785 ( -3.561 0.000 7.143) 7.981 1.952 ( 2.204 0.000 -4.758) 5.243 1.952 ( 2.204 0.000 4.758) 5.243 2.280 ( -0.643 0.000 -1.813) 1.923 2.280 ( -0.643 0.000 1.813) 1.923 2.422 ( 2.052 0.000 -4.392) 4.848 2.422 ( 2.052 0.000 4.392) 4.848 2.797 ( 0.699 0.000 -4.076) 4.136 2.797 ( 0.699 0.000 4.076) 4.136 2.806 ( -1.694 0.000 -9.581) 9.729 2.806 ( -1.694 0.000 9.581) 9.729 2.864 ( -2.094 0.000 -8.078) 8.345 2.864 ( -2.094 0.000 8.078) 8.345 2.897 ( -7.214 0.000 -6.690) 9.839 2.897 ( -7.214 0.000 6.690) 9.839 3.427 ( 3.894 0.000 -4.781) 6.166 3.427 ( 3.894 0.000 4.781) 6.166 3.483 ( 4.410 0.000 -8.400) 9.488 3.483 ( 4.410 0.000 8.400) 9.488 3.517 ( 1.573 0.000 -5.623) 5.839 3.517 ( 1.573 0.000 5.623) 5.839 3.620 ( -2.998 0.000 -2.414) 3.849 3.620 ( -2.998 0.000 2.414) 3.849 3.689 ( 3.052 0.000 -7.728) 8.309 3.689 ( 3.052 0.000 7.728) 8.309 3.902 ( -0.145 0.000 -4.087) 4.089 3.902 ( -0.145 0.000 4.087) 4.089 4.012 ( 3.277 0.000 -2.272) 3.988 4.012 ( 3.277 0.000 2.272) 3.988 4.127 ( -1.770 0.000 -8.779) 8.956 4.127 ( -1.770 0.000 8.779) 8.956 4.338 ( -1.028 0.000 -1.839) 2.107 4.338 ( -1.028 0.000 1.839) 2.107 4.647 ( -2.767 0.000 -2.466) 3.706 4.647 ( -2.767 0.000 2.466) 3.706 4.702 ( -6.210 0.000 -1.676) 6.432 4.702 ( -6.210 0.000 1.676) 6.432 4.773 ( 2.430 0.000 -2.094) 3.208 4.773 ( 2.430 0.000 2.094) 3.208 4.878 ( 1.050 0.000 -4.486) 4.607 4.878 ( 1.050 0.000 4.486) 4.607 5.083 ( 0.559 0.000 -1.804) 1.889 5.083 ( 0.559 0.000 1.804) 1.889 5.121 ( -0.197 0.000 -0.192) 0.275 5.121 ( -0.197 0.000 0.192) 0.275 5.217 ( -1.386 0.000 -2.582) 2.931 5.217 ( -1.386 0.000 2.582) 2.931 5.449 ( 8.712 0.000 -1.201) 8.794 5.449 ( 8.712 0.000 1.201) 8.794 5.705 ( 0.004 0.000 -0.040) 0.040 5.705 ( 0.004 0.000 0.040) 0.040 5.754 ( -4.361 0.000 -1.127) 4.504 5.754 ( -4.361 0.000 1.127) 4.504 6.343 ( -0.980 0.000 -4.935) 5.031 6.343 ( -0.980 0.000 4.935) 5.031 8.050 ( 2.404 0.000 -2.502) 3.469 8.050 ( 2.404 0.000 2.502) 3.469 8.111 ( -0.021 0.000 -1.738) 1.738 8.111 ( -0.021 0.000 1.738) 1.738 8.185 ( 0.020 0.000 -2.020) 2.020 8.185 ( 0.020 0.000 2.020) 2.020 8.233 ( -2.054 0.000 -4.853) 5.270 8.233 ( -2.054 0.000 4.853) 5.270 8.377 ( 0.160 0.000 -0.237) 0.286 8.377 ( 0.160 0.000 0.237) 0.286 8.452 ( -0.128 0.000 -0.642) 0.655 8.452 ( -0.128 0.000 0.642) 0.655 9.317 ( 0.702 0.000 -0.453) 0.835 9.317 ( 0.702 0.000 0.453) 0.835 9.587 ( -0.902 0.000 -3.145) 3.272 9.587 ( -0.902 0.000 3.145) 3.272 ======================= Grid point 144 (51/60) ======================= q-point: (-0.50 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.000 0.000 0.000) 0.000 1.010 ( 0.000 0.000 0.000) 0.000 1.161 ( 0.000 0.000 0.000) 0.000 1.161 ( 0.000 0.000 0.000) 0.000 1.177 ( 0.000 0.000 0.000) 0.000 1.177 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 -0.000) 0.000 1.627 ( 0.000 0.000 0.000) 0.000 1.738 ( -0.000 0.000 0.000) 0.000 1.738 ( 0.000 0.000 0.000) 0.000 1.980 ( -0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 2.272 ( -0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.446 ( -0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.794 ( -0.000 0.000 -0.000) 0.000 2.794 ( 0.000 0.000 -0.000) 0.000 2.813 ( -0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 -0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.829 ( -0.000 0.000 0.000) 0.000 3.492 ( -0.000 0.000 0.000) 0.001 3.492 ( 0.000 0.000 0.000) 0.001 3.492 ( -0.000 0.000 -0.000) 0.001 3.492 ( 0.000 0.000 -0.000) 0.001 3.549 ( 0.000 0.000 -0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.573 ( -0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 -0.000) 0.000 3.747 ( -0.000 0.000 0.000) 0.000 3.898 ( -0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.195 ( -0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.582 ( -0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.667 ( -0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.204 ( 0.000 0.000 0.000) 0.000 8.204 ( 0.000 0.000 0.000) 0.000 8.379 ( 0.000 0.000 0.000) 0.000 8.379 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 9.326 ( -0.000 0.000 0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 9.576 ( -0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.17 -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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.000 8.554 -3.845) 9.378 1.124 ( 0.000 8.554 3.845) 9.378 1.235 ( 0.000 4.059 -0.033) 4.059 1.235 ( 0.000 4.059 0.033) 4.059 1.360 ( 0.000 4.980 -2.516) 5.580 1.360 ( 0.000 4.980 2.516) 5.580 1.478 ( 0.000 2.839 -9.672) 10.080 1.478 ( 0.000 2.839 9.672) 10.080 1.491 ( 0.000 3.232 -11.613) 12.054 1.491 ( 0.000 3.232 11.613) 12.054 1.536 ( 0.000 1.304 -9.854) 9.940 1.536 ( 0.000 1.304 9.854) 9.940 1.830 ( 0.000 0.808 -6.093) 6.147 1.830 ( 0.000 0.808 6.093) 6.147 1.941 ( 0.000 1.054 -5.425) 5.526 1.941 ( 0.000 1.054 5.425) 5.526 2.209 ( 0.000 -5.934 -0.929) 6.007 2.209 ( 0.000 -5.934 0.929) 6.007 2.394 ( 0.000 -1.492 -2.504) 2.914 2.394 ( 0.000 -1.492 2.504) 2.914 2.652 ( 0.000 -9.024 -10.871) 14.128 2.652 ( 0.000 -9.024 10.871) 14.128 2.798 ( 0.000 -2.868 -2.606) 3.875 2.798 ( 0.000 -2.868 2.606) 3.875 2.929 ( 0.000 3.291 -10.530) 11.032 2.929 ( 0.000 3.291 10.530) 11.032 3.101 ( 0.000 3.879 -10.842) 11.515 3.101 ( 0.000 3.879 10.842) 11.515 3.273 ( 0.000 -2.613 -1.060) 2.820 3.273 ( 0.000 -2.613 1.060) 2.820 3.400 ( 0.000 2.257 -3.620) 4.266 3.400 ( 0.000 2.257 3.620) 4.266 3.610 ( 0.000 -1.606 -0.970) 1.876 3.610 ( 0.000 -1.606 0.970) 1.876 3.629 ( 0.000 -0.815 -4.393) 4.468 3.629 ( 0.000 -0.815 4.393) 4.468 3.741 ( 0.000 4.735 -5.455) 7.224 3.741 ( 0.000 4.735 5.455) 7.224 3.835 ( 0.000 0.150 -0.029) 0.153 3.835 ( 0.000 0.150 0.029) 0.153 3.996 ( 0.000 1.355 -4.793) 4.981 3.996 ( 0.000 1.355 4.793) 4.981 4.157 ( 0.000 0.941 -7.919) 7.974 4.157 ( 0.000 0.941 7.919) 7.974 4.409 ( 0.000 5.145 -0.055) 5.146 4.409 ( 0.000 5.145 0.055) 5.146 4.668 ( 0.000 -2.372 -2.408) 3.380 4.668 ( 0.000 -2.372 2.408) 3.380 4.693 ( 0.000 -1.752 -0.237) 1.768 4.693 ( 0.000 -1.752 0.237) 1.768 4.837 ( 0.000 2.718 -2.425) 3.643 4.837 ( 0.000 2.718 2.425) 3.643 4.865 ( 0.000 1.390 -1.058) 1.747 4.865 ( 0.000 1.390 1.058) 1.747 5.063 ( 0.000 -2.863 -0.144) 2.867 5.063 ( 0.000 -2.863 0.144) 2.867 5.114 ( 0.000 -0.691 -0.689) 0.975 5.114 ( 0.000 -0.691 0.689) 0.975 5.200 ( 0.000 -2.468 -3.293) 4.115 5.200 ( 0.000 -2.468 3.293) 4.115 5.344 ( 0.000 -0.644 -1.099) 1.274 5.344 ( 0.000 -0.644 1.099) 1.274 5.721 ( 0.000 1.133 -2.150) 2.430 5.721 ( 0.000 1.133 2.150) 2.430 5.796 ( 0.000 0.500 -0.664) 0.831 5.796 ( 0.000 0.500 0.664) 0.831 6.273 ( 0.000 -7.134 -5.928) 9.276 6.273 ( 0.000 -7.134 5.928) 9.276 8.013 ( 0.000 -0.760 -1.927) 2.072 8.013 ( 0.000 -0.760 1.927) 2.072 8.152 ( 0.000 2.908 -2.282) 3.697 8.152 ( 0.000 2.908 2.282) 3.697 8.219 ( 0.000 2.734 -2.286) 3.564 8.219 ( 0.000 2.734 2.286) 3.564 8.254 ( 0.000 0.243 -5.840) 5.846 8.254 ( 0.000 0.243 5.840) 5.846 8.391 ( 0.000 1.539 -0.631) 1.663 8.391 ( 0.000 1.539 0.631) 1.663 8.445 ( 0.000 -0.770 -0.737) 1.066 8.445 ( 0.000 -0.770 0.737) 1.066 9.308 ( 0.000 -0.060 -0.352) 0.357 9.308 ( 0.000 -0.060 0.352) 0.357 9.559 ( 0.000 -3.468 -3.612) 5.007 9.559 ( 0.000 -3.468 3.612) 5.007 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.25 0.17 -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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.305 7.669 -2.474) 8.064 1.126 ( 0.305 7.669 2.474) 8.064 1.220 ( -1.717 2.971 -0.812) 3.527 1.220 ( -1.717 2.971 0.812) 3.527 1.269 ( -5.516 5.461 -2.667) 8.207 1.269 ( -5.516 5.461 2.667) 8.207 1.496 ( 2.144 3.427 -9.687) 10.497 1.496 ( 2.144 3.427 9.687) 10.497 1.518 ( 1.742 2.888 -12.045) 12.508 1.518 ( 1.742 2.888 12.045) 12.508 1.610 ( 4.414 1.584 -4.790) 6.703 1.610 ( 4.414 1.584 4.790) 6.703 1.794 ( -3.190 0.843 -7.298) 8.009 1.794 ( -3.190 0.843 7.298) 8.009 1.964 ( 2.149 0.973 -4.349) 4.947 1.964 ( 2.149 0.973 4.349) 4.947 2.233 ( 2.056 -4.128 -1.686) 4.910 2.233 ( 2.056 -4.128 1.686) 4.910 2.393 ( -0.236 -2.549 -2.960) 3.914 2.393 ( -0.236 -2.549 2.960) 3.914 2.616 ( -2.668 -9.844 -9.228) 13.754 2.616 ( -2.668 -9.844 9.228) 13.754 2.745 ( -4.679 -4.668 -3.267) 7.373 2.745 ( -4.679 -4.668 3.267) 7.373 2.956 ( 2.359 6.237 -7.621) 10.126 2.956 ( 2.359 6.237 7.621) 10.126 3.061 ( -3.145 8.029 -7.758) 11.600 3.061 ( -3.145 8.029 7.758) 11.600 3.310 ( 3.839 -4.948 -1.268) 6.390 3.310 ( 3.839 -4.948 1.268) 6.390 3.457 ( 2.951 0.286 -4.848) 5.683 3.457 ( 2.951 0.286 4.848) 5.683 3.558 ( -3.660 -3.954 -1.500) 5.593 3.558 ( -3.660 -3.954 1.500) 5.593 3.664 ( 1.956 1.520 -4.313) 4.974 3.664 ( 1.956 1.520 4.313) 4.974 3.741 ( 1.537 3.968 -1.640) 4.561 3.741 ( 1.537 3.968 1.640) 4.561 3.855 ( 1.437 0.233 -1.883) 2.380 3.855 ( 1.437 0.233 1.883) 2.380 4.024 ( 2.414 0.849 -3.097) 4.017 4.024 ( 2.414 0.849 3.097) 4.017 4.134 ( -2.505 0.906 -7.658) 8.108 4.134 ( -2.505 0.906 7.658) 8.108 4.403 ( -0.538 5.401 -0.237) 5.433 4.403 ( -0.538 5.401 0.237) 5.433 4.636 ( -1.187 -0.376 -0.850) 1.507 4.636 ( -1.187 -0.376 0.850) 1.507 4.728 ( 0.101 -2.264 -0.826) 2.412 4.728 ( 0.101 -2.264 0.826) 2.412 4.755 ( -4.099 2.695 -0.371) 4.920 4.755 ( -4.099 2.695 0.371) 4.920 4.894 ( 0.711 0.866 -3.868) 4.027 4.894 ( 0.711 0.866 3.868) 4.027 5.056 ( -0.374 -2.809 -0.979) 2.998 5.056 ( -0.374 -2.809 0.979) 2.998 5.098 ( -0.444 -1.903 -0.478) 2.011 5.098 ( -0.444 -1.903 0.478) 2.011 5.195 ( -0.693 -2.025 -1.920) 2.875 5.195 ( -0.693 -2.025 1.920) 2.875 5.444 ( 8.522 -0.500 -1.187) 8.618 5.444 ( 8.522 -0.500 1.187) 8.618 5.710 ( -1.736 -0.133 -2.836) 3.328 5.710 ( -1.736 -0.133 2.836) 3.328 5.769 ( -2.251 1.989 -1.383) 3.307 5.769 ( -2.251 1.989 1.383) 3.307 6.262 ( -0.877 -7.022 -4.216) 8.237 6.262 ( -0.877 -7.022 4.216) 8.237 8.037 ( 2.331 -0.785 -1.960) 3.145 8.037 ( 2.331 -0.785 1.960) 3.145 8.148 ( -0.462 2.367 -1.679) 2.938 8.148 ( -0.462 2.367 1.679) 2.938 8.219 ( 0.004 2.714 -1.903) 3.315 8.219 ( 0.004 2.714 1.903) 3.315 8.236 ( -1.607 0.783 -4.991) 5.302 8.236 ( -1.607 0.783 4.991) 5.302 8.392 ( 0.062 1.388 -0.434) 1.456 8.392 ( 0.062 1.388 0.434) 1.456 8.444 ( -0.025 -0.648 -0.505) 0.821 8.444 ( -0.025 -0.648 0.505) 0.821 9.315 ( 0.636 -0.119 -0.333) 0.728 9.315 ( 0.636 -0.119 0.333) 0.728 9.550 ( -0.787 -3.359 -2.620) 4.332 9.550 ( -0.787 -3.359 2.620) 4.332 ======================= Grid point 154 (54/60) ======================= q-point: (-0.50 0.17 -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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -0.000 7.770 0.000) 7.770 1.135 ( 0.000 7.770 0.000) 7.770 1.177 ( 0.000 0.100 0.000) 0.100 1.177 ( 0.000 0.100 0.000) 0.100 1.232 ( -0.000 7.868 0.000) 7.868 1.232 ( 0.000 7.868 0.000) 7.868 1.527 ( 0.000 4.077 -0.000) 4.077 1.527 ( 0.000 4.077 0.000) 4.077 1.534 ( -0.000 0.764 -0.000) 0.764 1.534 ( -0.000 0.764 0.000) 0.764 1.651 ( 0.000 2.224 -0.000) 2.224 1.651 ( 0.000 2.224 0.000) 2.224 1.755 ( 0.000 1.221 0.000) 1.221 1.755 ( 0.000 1.221 0.000) 1.221 1.991 ( 0.000 0.877 0.000) 0.877 1.991 ( 0.000 0.877 0.000) 0.877 2.258 ( -0.000 -1.291 0.000) 1.291 2.258 ( 0.000 -1.291 0.000) 1.291 2.387 ( -0.000 -5.228 0.000) 5.228 2.387 ( 0.000 -5.228 0.000) 5.228 2.591 ( -0.000 -9.730 0.000) 9.730 2.591 ( 0.000 -9.730 0.000) 9.730 2.687 ( 0.000 -5.621 0.000) 5.621 2.687 ( 0.000 -5.621 0.000) 5.621 3.000 ( -0.000 7.851 -0.000) 7.851 3.000 ( 0.000 7.851 -0.000) 7.851 3.009 ( -0.000 9.982 0.000) 9.982 3.009 ( 0.000 9.982 0.000) 9.982 3.374 ( -0.000 -4.222 0.000) 4.222 3.374 ( 0.000 -4.222 0.000) 4.222 3.449 ( -0.000 -3.830 0.000) 3.830 3.449 ( 0.000 -3.830 0.000) 3.830 3.529 ( 0.000 -3.468 0.000) 3.468 3.529 ( 0.000 -3.468 0.000) 3.468 3.677 ( 0.000 3.001 0.000) 3.001 3.677 ( 0.000 3.001 0.000) 3.001 3.783 ( 0.000 2.917 -0.000) 2.917 3.783 ( -0.000 2.917 0.000) 2.917 3.869 ( -0.000 0.022 0.000) 0.022 3.869 ( 0.000 0.022 0.000) 0.022 4.062 ( -0.000 -2.144 -0.000) 2.144 4.062 ( 0.000 -2.144 0.000) 2.144 4.087 ( 0.000 3.134 -0.000) 3.134 4.087 ( 0.000 3.134 0.000) 3.134 4.397 ( 0.000 5.811 0.000) 5.811 4.397 ( 0.000 5.811 0.000) 5.811 4.642 ( -0.000 0.377 0.000) 0.377 4.642 ( 0.000 0.377 0.000) 0.377 4.664 ( -0.000 3.482 0.000) 3.482 4.664 ( 0.000 3.482 0.000) 3.482 4.757 ( -0.000 -2.806 0.000) 2.806 4.757 ( 0.000 -2.806 0.000) 2.806 4.898 ( 0.000 0.968 0.000) 0.968 4.898 ( 0.000 0.968 0.000) 0.968 5.053 ( 0.000 -3.984 0.000) 3.984 5.053 ( 0.000 -3.984 0.000) 3.984 5.098 ( 0.000 -2.082 0.000) 2.082 5.098 ( 0.000 -2.082 0.000) 2.082 5.185 ( 0.000 -1.255 0.000) 1.255 5.185 ( 0.000 -1.255 0.000) 1.255 5.568 ( -0.000 -0.847 -0.000) 0.847 5.568 ( 0.000 -0.847 0.000) 0.847 5.654 ( -0.000 -1.326 0.000) 1.326 5.654 ( 0.000 -1.326 0.000) 1.326 5.748 ( 0.000 3.608 0.000) 3.608 5.748 ( 0.000 3.608 0.000) 3.608 6.252 ( 0.000 -6.912 0.000) 6.912 6.252 ( 0.000 -6.912 0.000) 6.912 8.070 ( 0.000 -0.699 0.000) 0.699 8.070 ( 0.000 -0.699 0.000) 0.699 8.138 ( 0.000 1.170 0.000) 1.170 8.138 ( 0.000 1.170 0.000) 1.170 8.215 ( 0.000 1.868 -0.000) 1.868 8.215 ( 0.000 1.868 0.000) 1.868 8.220 ( 0.000 2.691 -0.000) 2.691 8.220 ( -0.000 2.691 0.000) 2.691 8.393 ( 0.000 1.247 0.000) 1.247 8.393 ( 0.000 1.247 0.000) 1.247 8.444 ( 0.000 -0.530 0.000) 0.530 8.444 ( 0.000 -0.530 0.000) 0.530 9.322 ( -0.000 -0.181 0.000) 0.181 9.322 ( 0.000 -0.181 0.000) 0.181 9.541 ( -0.000 -3.247 0.000) 3.247 9.541 ( 0.000 -3.247 0.000) 3.247 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.000 3.845 -2.535) 4.605 1.253 ( 0.000 3.845 2.535) 4.605 1.310 ( 0.000 2.706 -1.331) 3.016 1.310 ( 0.000 2.706 1.331) 3.016 1.468 ( 0.000 2.357 -0.593) 2.430 1.468 ( 0.000 2.357 0.593) 2.430 1.535 ( 0.000 2.057 -2.590) 3.308 1.535 ( 0.000 2.057 2.590) 3.308 1.593 ( 0.000 4.806 -6.527) 8.105 1.593 ( 0.000 4.806 6.527) 8.105 1.639 ( 0.000 9.825 -6.289) 11.665 1.639 ( 0.000 9.825 6.289) 11.665 1.859 ( 0.000 1.971 -7.865) 8.108 1.859 ( 0.000 1.971 7.865) 8.108 1.961 ( 0.000 0.550 -4.534) 4.567 1.961 ( 0.000 0.550 4.534) 4.567 2.096 ( 0.000 -3.724 -0.151) 3.727 2.096 ( 0.000 -3.724 0.151) 3.727 2.311 ( 0.000 -6.563 -4.551) 7.987 2.311 ( 0.000 -6.563 4.551) 7.987 2.497 ( 0.000 -4.843 -5.051) 6.998 2.497 ( 0.000 -4.843 5.051) 6.998 2.717 ( 0.000 -4.588 -5.925) 7.494 2.717 ( 0.000 -4.588 5.925) 7.494 2.986 ( 0.000 1.675 -5.187) 5.451 2.986 ( 0.000 1.675 5.187) 5.451 3.072 ( 0.000 -2.478 -6.251) 6.724 3.072 ( 0.000 -2.478 6.251) 6.724 3.352 ( 0.000 4.894 -3.476) 6.003 3.352 ( 0.000 4.894 3.476) 6.003 3.456 ( 0.000 2.276 -4.308) 4.872 3.456 ( 0.000 2.276 4.308) 4.872 3.562 ( 0.000 -1.153 -0.567) 1.285 3.562 ( 0.000 -1.153 0.567) 1.285 3.608 ( 0.000 -0.343 -6.097) 6.107 3.608 ( 0.000 -0.343 6.097) 6.107 3.696 ( 0.000 -2.581 -3.280) 4.174 3.696 ( 0.000 -2.581 3.280) 4.174 3.897 ( 0.000 -2.395 -3.147) 3.955 3.897 ( 0.000 -2.395 3.147) 3.955 4.093 ( 0.000 7.301 -0.773) 7.342 4.093 ( 0.000 7.301 0.773) 7.342 4.208 ( 0.000 5.054 -3.075) 5.916 4.208 ( 0.000 5.054 3.075) 5.916 4.523 ( 0.000 4.989 -0.426) 5.007 4.523 ( 0.000 4.989 0.426) 5.007 4.638 ( 0.000 -0.532 -0.977) 1.113 4.638 ( 0.000 -0.532 0.977) 1.113 4.655 ( 0.000 -2.041 -1.587) 2.586 4.655 ( 0.000 -2.041 1.587) 2.586 4.855 ( 0.000 -1.471 -4.207) 4.456 4.855 ( 0.000 -1.471 4.207) 4.456 4.898 ( 0.000 2.073 -1.976) 2.864 4.898 ( 0.000 2.073 1.976) 2.864 4.991 ( 0.000 -3.249 -0.845) 3.357 4.991 ( 0.000 -3.249 0.845) 3.357 5.083 ( 0.000 -2.872 -1.399) 3.194 5.083 ( 0.000 -2.872 1.399) 3.194 5.147 ( 0.000 -1.820 -0.177) 1.829 5.147 ( 0.000 -1.820 0.177) 1.829 5.328 ( 0.000 -0.755 -1.216) 1.431 5.328 ( 0.000 -0.755 1.216) 1.431 5.729 ( 0.000 -0.301 -3.683) 3.695 5.729 ( 0.000 -0.301 3.683) 3.695 5.838 ( 0.000 3.611 -1.752) 4.014 5.838 ( 0.000 3.611 1.752) 4.014 6.103 ( 0.000 -8.221 -3.866) 9.085 6.103 ( 0.000 -8.221 3.866) 9.085 8.002 ( 0.000 -0.242 -1.141) 1.167 8.002 ( 0.000 -0.242 1.141) 1.167 8.181 ( 0.000 -0.146 -0.681) 0.697 8.181 ( 0.000 -0.146 0.681) 0.697 8.273 ( 0.000 2.114 -1.083) 2.376 8.273 ( 0.000 2.114 1.083) 2.376 8.284 ( 0.000 2.211 -3.653) 4.270 8.284 ( 0.000 2.211 3.653) 4.270 8.423 ( 0.000 -0.146 -0.610) 0.627 8.423 ( 0.000 -0.146 0.610) 0.627 8.440 ( 0.000 1.798 -1.107) 2.112 8.440 ( 0.000 1.798 1.107) 2.112 9.315 ( 0.000 0.912 -0.072) 0.915 9.315 ( 0.000 0.912 0.072) 0.915 9.471 ( 0.000 -4.509 -2.079) 4.965 9.471 ( 0.000 -4.509 2.079) 4.965 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.25 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -2.934 2.190 -1.695) 4.034 1.214 ( -2.934 2.190 1.695) 4.034 1.254 ( -4.448 0.613 -2.500) 5.139 1.254 ( -4.448 0.613 2.500) 5.139 1.460 ( 0.084 8.734 -1.194) 8.816 1.460 ( 0.084 8.734 1.194) 8.816 1.556 ( 0.792 2.082 -4.670) 5.174 1.556 ( 0.792 2.082 4.670) 5.174 1.641 ( 3.174 3.599 -7.093) 8.563 1.641 ( 3.174 3.599 7.093) 8.563 1.666 ( 2.972 7.081 -8.764) 11.652 1.666 ( 2.972 7.081 8.764) 11.652 1.824 ( -2.737 2.895 -5.773) 7.014 1.824 ( -2.737 2.895 5.773) 7.014 1.981 ( 1.547 0.245 -3.290) 3.643 1.981 ( 1.547 0.245 3.290) 3.643 2.139 ( 4.268 -4.084 -1.902) 6.206 2.139 ( 4.268 -4.084 1.902) 6.206 2.325 ( 0.314 -3.870 -1.709) 4.242 2.325 ( 0.314 -3.870 1.709) 4.242 2.436 ( -4.306 -6.481 -6.051) 9.857 2.436 ( -4.306 -6.481 6.051) 9.857 2.637 ( -6.369 -5.803 -3.483) 9.294 2.637 ( -6.369 -5.803 3.483) 9.294 3.053 ( 5.372 2.917 -4.521) 7.603 3.053 ( 5.372 2.917 4.521) 7.603 3.150 ( 6.337 0.744 -4.377) 7.737 3.150 ( 6.337 0.744 4.377) 7.737 3.313 ( -2.652 3.625 -4.823) 6.591 3.313 ( -2.652 3.625 4.823) 6.591 3.438 ( -3.322 -1.939 -3.584) 5.257 3.438 ( -3.322 -1.939 3.584) 5.257 3.519 ( -2.478 1.173 -2.033) 3.413 3.519 ( -2.478 1.173 2.033) 3.413 3.625 ( 0.505 -3.407 -3.878) 5.187 3.625 ( 0.505 -3.407 3.878) 5.187 3.743 ( 4.866 -0.357 -1.655) 5.152 3.743 ( 4.866 -0.357 1.655) 5.152 3.900 ( -0.203 -1.524 -2.939) 3.317 3.900 ( -0.203 -1.524 2.939) 3.317 4.099 ( 0.441 6.103 -1.373) 6.271 4.099 ( 0.441 6.103 1.373) 6.271 4.191 ( -1.567 4.943 -2.778) 5.883 4.191 ( -1.567 4.943 2.778) 5.883 4.519 ( -0.246 4.919 -0.225) 4.931 4.519 ( -0.246 4.919 0.225) 4.931 4.631 ( -0.405 -0.812 -0.617) 1.097 4.631 ( -0.405 -0.812 0.617) 1.097 4.674 ( 1.931 -1.636 -0.850) 2.670 4.674 ( 1.931 -1.636 0.850) 2.670 4.813 ( -4.327 1.937 -1.062) 4.858 4.813 ( -4.327 1.937 1.062) 4.858 4.902 ( 0.706 0.064 -3.302) 3.378 4.902 ( 0.706 0.064 3.302) 3.378 4.983 ( -1.129 -3.254 -2.670) 4.358 4.983 ( -1.129 -3.254 2.670) 4.358 5.056 ( -1.475 -1.866 -0.446) 2.420 5.056 ( -1.475 -1.866 0.446) 2.420 5.133 ( -0.381 -3.833 -0.439) 3.877 5.133 ( -0.381 -3.833 0.439) 3.877 5.432 ( 8.427 -0.575 -0.925) 8.497 5.432 ( 8.427 -0.575 0.925) 8.497 5.695 ( -3.708 -0.920 -2.884) 4.787 5.695 ( -3.708 -0.920 2.884) 4.787 5.837 ( -0.063 4.234 -1.230) 4.410 5.837 ( -0.063 4.234 1.230) 4.410 6.096 ( -0.612 -8.060 -2.734) 8.533 6.096 ( -0.612 -8.060 2.734) 8.533 8.027 ( 2.494 -0.153 -1.166) 2.757 8.027 ( 2.494 -0.153 1.166) 2.757 8.161 ( -2.082 -0.669 -0.439) 2.231 8.161 ( -2.082 -0.669 0.439) 2.231 8.274 ( 0.070 2.179 -0.846) 2.339 8.274 ( 0.070 2.179 0.846) 2.339 8.281 ( -0.212 2.581 -2.482) 3.587 8.281 ( -0.212 2.581 2.482) 3.587 8.424 ( 0.016 0.598 -0.489) 0.773 8.424 ( 0.016 0.598 0.489) 0.773 8.438 ( -0.115 0.989 -0.741) 1.241 8.438 ( -0.115 0.989 0.741) 1.241 9.321 ( 0.580 0.942 -0.192) 1.123 9.321 ( 0.580 0.942 0.192) 1.123 9.464 ( -0.631 -4.486 -1.536) 4.784 9.464 ( -0.631 -4.486 1.536) 4.784 ======================= Grid point 164 (57/60) ======================= q-point: (-0.50 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.000 0.655 0.000) 0.655 1.185 ( 0.000 0.655 0.000) 0.655 1.203 ( 0.000 0.575 0.000) 0.575 1.203 ( 0.000 0.575 0.000) 0.575 1.463 ( 0.000 10.464 -0.000) 10.464 1.463 ( 0.000 10.464 0.000) 10.464 1.561 ( 0.000 1.765 0.000) 1.765 1.561 ( 0.000 1.765 0.000) 1.765 1.671 ( 0.000 6.781 -0.000) 6.781 1.671 ( 0.000 6.781 0.000) 6.781 1.706 ( 0.000 2.540 -0.000) 2.540 1.706 ( 0.000 2.540 0.000) 2.540 1.791 ( 0.000 4.256 0.000) 4.256 1.791 ( 0.000 4.256 0.000) 4.256 1.998 ( -0.000 -0.853 0.000) 0.853 1.998 ( 0.000 -0.853 0.000) 0.853 2.224 ( -0.000 -1.645 0.000) 1.645 2.224 ( 0.000 -1.645 0.000) 1.645 2.268 ( -0.000 -5.027 0.000) 5.027 2.268 ( 0.000 -5.027 0.000) 5.027 2.425 ( -0.000 -5.549 0.000) 5.549 2.425 ( 0.000 -5.549 0.000) 5.549 2.557 ( 0.000 -7.486 -0.000) 7.486 2.557 ( 0.000 -7.486 0.000) 7.486 3.123 ( -0.000 4.574 0.000) 4.574 3.123 ( 0.000 4.574 0.000) 4.574 3.202 ( -0.000 7.304 -0.000) 7.304 3.202 ( 0.000 7.304 0.000) 7.304 3.341 ( -0.000 -5.091 -0.000) 5.091 3.341 ( 0.000 -5.091 0.000) 5.091 3.341 ( -0.000 0.068 -0.000) 0.068 3.341 ( -0.000 0.068 0.000) 0.068 3.497 ( 0.000 0.463 0.000) 0.463 3.497 ( 0.000 0.463 0.000) 0.463 3.627 ( 0.000 -4.694 0.000) 4.694 3.627 ( 0.000 -4.694 0.000) 4.694 3.820 ( -0.000 0.482 0.000) 0.482 3.820 ( 0.000 0.482 0.000) 0.482 3.880 ( 0.000 -1.693 0.000) 1.693 3.880 ( 0.000 -1.693 0.000) 1.693 4.104 ( -0.000 6.148 0.000) 6.148 4.104 ( 0.000 6.148 0.000) 6.148 4.171 ( 0.000 4.248 -0.000) 4.248 4.171 ( 0.000 4.248 -0.000) 4.248 4.517 ( 0.000 4.925 -0.000) 4.925 4.517 ( 0.000 4.925 0.000) 4.925 4.627 ( -0.000 -2.117 0.000) 2.117 4.627 ( 0.000 -2.117 0.000) 2.117 4.727 ( -0.000 0.396 -0.000) 0.396 4.727 ( 0.000 0.396 -0.000) 0.396 4.731 ( -0.000 2.416 0.000) 2.416 4.731 ( 0.000 2.416 0.000) 2.416 4.914 ( 0.000 0.670 0.000) 0.670 4.914 ( 0.000 0.670 0.000) 0.670 4.964 ( -0.000 -3.645 -0.000) 3.645 4.964 ( 0.000 -3.645 0.000) 3.645 5.046 ( 0.000 -2.326 0.000) 2.326 5.046 ( 0.000 -2.326 0.000) 2.326 5.131 ( 0.000 -4.069 0.000) 4.069 5.131 ( 0.000 -4.069 0.000) 4.069 5.559 ( -0.000 0.112 -0.000) 0.112 5.559 ( 0.000 0.112 0.000) 0.112 5.615 ( -0.000 -2.194 0.000) 2.194 5.615 ( 0.000 -2.194 0.000) 2.194 5.837 ( 0.000 4.750 0.000) 4.750 5.837 ( 0.000 4.750 0.000) 4.750 6.089 ( 0.000 -7.910 0.000) 7.910 6.089 ( 0.000 -7.910 0.000) 7.910 8.067 ( 0.000 0.473 0.000) 0.473 8.067 ( 0.000 0.473 0.000) 0.473 8.126 ( 0.000 -1.659 0.000) 1.659 8.126 ( 0.000 -1.659 0.000) 1.659 8.275 ( -0.000 2.240 -0.000) 2.240 8.275 ( 0.000 2.240 0.000) 2.240 8.279 ( 0.000 2.891 0.000) 2.891 8.279 ( -0.000 2.891 0.000) 2.891 8.424 ( -0.000 1.467 0.000) 1.467 8.424 ( 0.000 1.467 0.000) 1.467 8.437 ( -0.000 0.050 0.000) 0.050 8.437 ( 0.000 0.050 0.000) 0.050 9.328 ( 0.000 1.003 0.000) 1.003 9.328 ( 0.000 1.003 0.000) 1.003 9.456 ( 0.000 -4.495 0.000) 4.495 9.456 ( 0.000 -4.495 0.000) 4.495 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 -0.50 -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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 -0.000 0.000) 0.000 1.294 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 -0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.553 ( 0.000 0.000 0.000) 0.000 1.553 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 -0.000) 0.000 1.739 ( 0.000 -0.000 -0.000) 0.000 1.919 ( 0.000 -0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 -0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 -0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 -0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 -0.000 0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 3.053 ( 0.000 0.000 0.000) 0.000 3.053 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 -0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.705 ( 0.000 -0.000 0.000) 0.000 3.705 ( 0.000 0.000 0.000) 0.000 3.823 ( 0.000 -0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 -0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 -0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 -0.000 -0.000) 0.000 4.602 ( 0.000 0.000 -0.000) 0.000 4.635 ( 0.000 0.000 -0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 -0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 -0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 -0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 -0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.418 ( 0.000 0.000 0.000) 0.000 8.418 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 -0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 174 (59/60) ======================= q-point: ( 0.25 -0.50 -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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -5.426 -0.000 0.000) 5.426 1.246 ( -5.426 0.000 0.000) 5.426 1.249 ( -3.838 -0.000 -0.000) 3.838 1.249 ( -3.838 0.000 -0.000) 3.838 1.564 ( 1.020 0.000 0.000) 1.020 1.564 ( 1.020 0.000 0.000) 1.020 1.576 ( 3.980 -0.000 0.000) 3.980 1.576 ( 3.980 -0.000 0.000) 3.980 1.666 ( 1.620 0.000 0.000) 1.620 1.666 ( 1.620 0.000 0.000) 1.620 1.745 ( 0.161 0.000 -0.000) 0.161 1.745 ( 0.161 0.000 -0.000) 0.161 1.923 ( 0.400 0.000 0.000) 0.400 1.923 ( 0.400 0.000 0.000) 0.400 1.956 ( -0.882 -0.000 0.000) 0.882 1.956 ( -0.882 0.000 0.000) 0.882 2.094 ( 3.952 0.000 0.000) 3.952 2.094 ( 3.952 0.000 0.000) 3.952 2.272 ( 6.338 0.000 0.000) 6.338 2.272 ( 6.338 0.000 0.000) 6.338 2.369 ( -7.799 0.000 0.000) 7.799 2.369 ( -7.799 0.000 0.000) 7.799 2.556 ( -7.958 0.000 0.000) 7.958 2.556 ( -7.958 0.000 0.000) 7.958 3.083 ( 6.402 0.000 0.000) 6.402 3.083 ( 6.402 0.000 0.000) 6.402 3.154 ( 9.899 0.000 0.000) 9.899 3.154 ( 9.899 0.000 0.000) 9.899 3.338 ( -5.710 0.000 0.000) 5.710 3.338 ( -5.710 0.000 0.000) 5.710 3.443 ( -3.904 0.000 0.000) 3.904 3.443 ( -3.904 0.000 0.000) 3.904 3.536 ( -0.916 0.000 0.000) 0.916 3.536 ( -0.916 0.000 0.000) 0.916 3.582 ( -2.707 0.000 0.000) 2.707 3.582 ( -2.707 0.000 0.000) 2.707 3.755 ( 4.545 -0.000 0.000) 4.545 3.755 ( 4.545 0.000 0.000) 4.545 3.850 ( 1.604 -0.000 0.000) 1.604 3.850 ( 1.604 0.000 0.000) 1.604 4.173 ( 0.409 0.000 0.000) 0.409 4.173 ( 0.409 0.000 0.000) 0.409 4.270 ( -2.971 0.000 0.000) 2.971 4.270 ( -2.971 0.000 0.000) 2.971 4.587 ( -0.896 -0.000 0.000) 0.896 4.587 ( -0.896 -0.000 0.000) 0.896 4.596 ( -0.684 0.000 0.000) 0.684 4.596 ( -0.684 0.000 0.000) 0.684 4.664 ( 3.209 0.000 -0.000) 3.209 4.664 ( 3.209 0.000 0.000) 3.209 4.833 ( -2.153 0.000 0.000) 2.153 4.833 ( -2.153 0.000 0.000) 2.153 4.905 ( -0.283 0.000 0.000) 0.283 4.905 ( -0.283 0.000 0.000) 0.283 4.948 ( -0.660 0.000 0.000) 0.660 4.948 ( -0.660 0.000 0.000) 0.660 5.035 ( 0.199 0.000 0.000) 0.199 5.035 ( 0.199 0.000 0.000) 0.199 5.076 ( -3.086 0.000 0.000) 3.086 5.076 ( -3.086 0.000 0.000) 3.086 5.425 ( 8.429 0.000 0.000) 8.429 5.425 ( 8.429 0.000 0.000) 8.429 5.684 ( -4.230 0.000 0.000) 4.230 5.684 ( -4.230 0.000 0.000) 4.230 5.923 ( 0.973 0.000 0.000) 0.973 5.923 ( 0.973 0.000 0.000) 0.973 5.969 ( -1.032 -0.000 0.000) 1.032 5.969 ( -1.032 0.000 0.000) 1.032 8.027 ( 2.726 0.000 0.000) 2.726 8.027 ( 2.726 0.000 0.000) 2.726 8.150 ( -2.585 0.000 -0.000) 2.585 8.150 ( -2.585 0.000 0.000) 2.585 8.299 ( 0.256 0.000 0.000) 0.256 8.299 ( 0.256 0.000 0.000) 0.256 8.309 ( -0.196 0.000 0.000) 0.196 8.309 ( -0.196 0.000 0.000) 0.196 8.424 ( 0.714 0.000 0.000) 0.714 8.424 ( 0.714 0.000 0.000) 0.714 8.459 ( -0.805 0.000 0.000) 0.805 8.459 ( -0.805 0.000 0.000) 0.805 9.347 ( 1.075 -0.000 0.000) 1.075 9.347 ( 1.075 0.000 0.000) 1.075 9.397 ( -1.073 -0.000 0.000) 1.073 9.397 ( -1.073 0.000 0.000) 1.073 ======================= Grid point 178 (60/60) ======================= q-point: (-0.50 -0.50 -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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.238 -0.521 0.000) 0.573 1.200 ( -0.238 -0.521 0.000) 0.573 1.200 ( 0.238 0.521 0.000) 0.573 1.200 ( 0.238 0.521 0.000) 0.573 1.585 ( -0.597 -0.743 0.000) 0.953 1.585 ( -0.597 -0.743 0.000) 0.953 1.585 ( 0.597 0.743 0.000) 0.953 1.585 ( 0.597 0.743 0.000) 0.953 1.724 ( -2.267 -0.552 -0.000) 2.333 1.724 ( -2.267 -0.552 0.000) 2.333 1.724 ( 2.267 0.552 -0.000) 2.333 1.724 ( 2.267 0.552 0.000) 2.333 1.935 ( -0.095 -5.543 0.000) 5.544 1.935 ( -0.095 -5.543 0.000) 5.544 1.935 ( 0.095 5.543 0.000) 5.544 1.935 ( 0.095 5.543 0.000) 5.544 2.212 ( -8.156 -0.116 0.000) 8.157 2.212 ( -8.156 -0.116 0.000) 8.157 2.212 ( 8.156 0.116 0.000) 8.157 2.212 ( 8.156 0.116 0.000) 8.157 2.407 ( -5.240 -3.549 0.000) 6.328 2.407 ( -5.240 -3.549 0.000) 6.328 2.407 ( 5.240 3.549 0.000) 6.328 2.407 ( 5.240 3.549 0.000) 6.328 3.212 ( -5.015 -3.005 0.000) 5.846 3.212 ( -5.015 -3.005 0.000) 5.846 3.212 ( 5.015 3.005 0.000) 5.846 3.212 ( 5.015 3.005 0.000) 5.846 3.331 ( -7.680 -0.671 -0.000) 7.710 3.331 ( -7.680 -0.671 0.000) 7.710 3.331 ( 7.680 0.671 -0.000) 7.710 3.331 ( 7.680 0.671 0.000) 7.710 3.540 ( -0.302 -3.349 0.000) 3.362 3.540 ( -0.302 -3.349 0.000) 3.362 3.540 ( 0.302 3.349 0.000) 3.362 3.540 ( 0.302 3.349 0.000) 3.362 3.836 ( -2.367 -1.161 0.000) 2.636 3.836 ( -2.367 -1.161 0.000) 2.636 3.836 ( 2.367 1.161 0.000) 2.636 3.836 ( 2.367 1.161 0.000) 2.636 4.206 ( -2.111 -1.461 0.000) 2.567 4.206 ( -2.111 -1.461 0.000) 2.567 4.206 ( 2.111 1.461 0.000) 2.567 4.206 ( 2.111 1.461 0.000) 2.567 4.583 ( -0.055 -1.909 0.000) 1.910 4.583 ( -0.055 -1.909 0.000) 1.910 4.583 ( 0.055 1.909 0.000) 1.910 4.583 ( 0.055 1.909 0.000) 1.910 4.747 ( -5.320 -0.213 0.000) 5.325 4.747 ( -5.320 -0.213 0.000) 5.325 4.747 ( 5.320 0.213 0.000) 5.325 4.747 ( 5.320 0.213 0.000) 5.325 4.927 ( -1.250 -0.361 0.000) 1.301 4.927 ( -1.250 -0.361 0.000) 1.301 4.927 ( 1.250 0.361 0.000) 1.301 4.927 ( 1.250 0.361 0.000) 1.301 5.043 ( -0.118 -2.863 0.000) 2.865 5.043 ( -0.118 -2.863 0.000) 2.865 5.043 ( 0.118 2.863 0.000) 2.865 5.043 ( 0.118 2.863 0.000) 2.865 5.575 ( -6.953 -0.520 0.000) 6.972 5.575 ( -6.953 -0.520 0.000) 6.972 5.575 ( 6.953 0.520 0.000) 6.972 5.575 ( 6.953 0.520 0.000) 6.972 5.945 ( -0.167 -5.862 0.000) 5.864 5.945 ( -0.167 -5.862 0.000) 5.864 5.945 ( 0.167 5.862 0.000) 5.864 5.945 ( 0.167 5.862 0.000) 5.864 8.090 ( -2.829 -1.060 0.000) 3.021 8.090 ( -2.829 -1.060 0.000) 3.021 8.090 ( 2.829 1.060 -0.000) 3.021 8.090 ( 2.829 1.060 0.000) 3.021 8.304 ( -0.098 -0.357 0.000) 0.370 8.304 ( -0.098 -0.357 0.000) 0.370 8.304 ( 0.098 0.357 0.000) 0.370 8.304 ( 0.098 0.357 0.000) 0.370 8.441 ( -1.028 -0.014 0.000) 1.029 8.441 ( -1.028 -0.014 0.000) 1.029 8.441 ( 1.028 0.014 0.000) 1.029 8.441 ( 1.028 0.014 0.000) 1.029 9.372 ( -0.343 -3.179 0.000) 3.197 9.372 ( -0.343 -3.179 0.000) 3.197 9.372 ( 0.343 3.179 0.000) 3.197 9.372 ( 0.343 3.179 0.000) 3.197 =================== 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 3/16128 10.0 113.599 104.111 127.332 0.000 0.000 0.000 3/16128 20.0 28.130 33.689 43.932 0.000 0.000 0.000 3/16128 30.0 12.786 16.493 21.538 0.000 0.000 0.000 3/16128 40.0 7.197 9.536 12.493 0.000 0.000 0.000 3/16128 50.0 4.683 6.295 8.281 0.000 0.000 0.000 3/16128 60.0 3.380 4.586 6.053 0.000 0.000 0.000 3/16128 70.0 2.622 3.578 4.734 0.000 0.000 0.000 3/16128 80.0 2.136 2.928 3.880 0.000 0.000 0.000 3/16128 90.0 1.803 2.480 3.289 0.000 0.000 0.000 3/16128 100.0 1.562 2.153 2.858 0.000 0.000 0.000 3/16128 110.0 1.379 1.904 2.530 0.000 0.000 0.000 3/16128 120.0 1.236 1.709 2.272 0.000 0.000 0.000 3/16128 130.0 1.121 1.552 2.063 0.000 0.000 0.000 3/16128 140.0 1.026 1.422 1.892 0.000 0.000 0.000 3/16128 150.0 0.946 1.313 1.747 0.000 0.000 0.000 3/16128 160.0 0.879 1.221 1.624 0.000 0.000 0.000 3/16128 170.0 0.821 1.141 1.518 0.000 0.000 0.000 3/16128 180.0 0.770 1.071 1.426 0.000 0.000 0.000 3/16128 190.0 0.725 1.010 1.344 0.000 0.000 0.000 3/16128 200.0 0.686 0.955 1.272 0.000 0.000 0.000 3/16128 210.0 0.651 0.906 1.207 0.000 0.000 0.000 3/16128 220.0 0.619 0.862 1.149 0.000 0.000 0.000 3/16128 230.0 0.590 0.823 1.096 0.000 0.000 0.000 3/16128 240.0 0.564 0.787 1.048 0.000 0.000 0.000 3/16128 250.0 0.540 0.754 1.004 0.000 0.000 0.000 3/16128 260.0 0.518 0.723 0.964 0.000 0.000 0.000 3/16128 270.0 0.498 0.695 0.927 0.000 0.000 0.000 3/16128 280.0 0.480 0.670 0.893 0.000 0.000 0.000 3/16128 290.0 0.462 0.646 0.861 0.000 0.000 0.000 3/16128 300.0 0.446 0.624 0.831 0.000 0.000 0.000 3/16128 310.0 0.432 0.603 0.804 0.000 0.000 0.000 3/16128 320.0 0.418 0.583 0.778 0.000 0.000 0.000 3/16128 330.0 0.405 0.565 0.754 0.000 0.000 0.000 3/16128 340.0 0.392 0.548 0.731 0.000 0.000 0.000 3/16128 350.0 0.381 0.532 0.710 0.000 0.000 0.000 3/16128 360.0 0.370 0.517 0.690 0.000 0.000 0.000 3/16128 370.0 0.360 0.503 0.671 0.000 0.000 0.000 3/16128 380.0 0.350 0.489 0.653 0.000 0.000 0.000 3/16128 390.0 0.341 0.477 0.636 0.000 0.000 0.000 3/16128 400.0 0.332 0.465 0.620 0.000 0.000 0.000 3/16128 410.0 0.324 0.453 0.604 0.000 0.000 0.000 3/16128 420.0 0.316 0.442 0.590 0.000 0.000 0.000 3/16128 430.0 0.309 0.432 0.576 0.000 0.000 0.000 3/16128 440.0 0.302 0.422 0.563 0.000 0.000 0.000 3/16128 450.0 0.295 0.412 0.550 0.000 0.000 0.000 3/16128 460.0 0.288 0.403 0.538 0.000 0.000 0.000 3/16128 470.0 0.282 0.395 0.526 0.000 0.000 0.000 3/16128 480.0 0.276 0.386 0.515 0.000 0.000 0.000 3/16128 490.0 0.270 0.378 0.505 0.000 0.000 0.000 3/16128 500.0 0.265 0.371 0.495 0.000 0.000 0.000 3/16128 510.0 0.260 0.363 0.485 0.000 0.000 0.000 3/16128 520.0 0.255 0.356 0.475 0.000 0.000 0.000 3/16128 530.0 0.250 0.350 0.466 0.000 0.000 0.000 3/16128 540.0 0.245 0.343 0.458 0.000 0.000 0.000 3/16128 550.0 0.241 0.337 0.449 0.000 0.000 0.000 3/16128 560.0 0.236 0.331 0.441 0.000 0.000 0.000 3/16128 570.0 0.232 0.325 0.434 0.000 0.000 0.000 3/16128 580.0 0.228 0.319 0.426 0.000 0.000 0.000 3/16128 590.0 0.224 0.314 0.419 0.000 0.000 0.000 3/16128 600.0 0.220 0.309 0.412 0.000 0.000 0.000 3/16128 610.0 0.217 0.303 0.405 0.000 0.000 0.000 3/16128 620.0 0.213 0.299 0.398 0.000 0.000 0.000 3/16128 630.0 0.210 0.294 0.392 0.000 0.000 0.000 3/16128 640.0 0.206 0.289 0.386 0.000 0.000 0.000 3/16128 650.0 0.203 0.285 0.380 0.000 0.000 0.000 3/16128 660.0 0.200 0.280 0.374 0.000 0.000 0.000 3/16128 670.0 0.197 0.276 0.369 0.000 0.000 0.000 3/16128 680.0 0.194 0.272 0.363 0.000 0.000 0.000 3/16128 690.0 0.191 0.268 0.358 0.000 0.000 0.000 3/16128 700.0 0.189 0.264 0.353 0.000 0.000 0.000 3/16128 710.0 0.186 0.261 0.348 0.000 0.000 0.000 3/16128 720.0 0.183 0.257 0.343 0.000 0.000 0.000 3/16128 730.0 0.181 0.253 0.338 0.000 0.000 0.000 3/16128 740.0 0.178 0.250 0.334 0.000 0.000 0.000 3/16128 750.0 0.176 0.247 0.329 0.000 0.000 0.000 3/16128 760.0 0.174 0.243 0.325 0.000 0.000 0.000 3/16128 770.0 0.171 0.240 0.321 0.000 0.000 0.000 3/16128 780.0 0.169 0.237 0.317 0.000 0.000 0.000 3/16128 790.0 0.167 0.234 0.312 0.000 0.000 0.000 3/16128 800.0 0.165 0.231 0.309 0.000 0.000 0.000 3/16128 810.0 0.163 0.228 0.305 0.000 0.000 0.000 3/16128 820.0 0.161 0.226 0.301 0.000 0.000 0.000 3/16128 830.0 0.159 0.223 0.297 0.000 0.000 0.000 3/16128 840.0 0.157 0.220 0.294 0.000 0.000 0.000 3/16128 850.0 0.155 0.218 0.290 0.000 0.000 0.000 3/16128 860.0 0.153 0.215 0.287 0.000 0.000 0.000 3/16128 870.0 0.152 0.213 0.284 0.000 0.000 0.000 3/16128 880.0 0.150 0.210 0.281 0.000 0.000 0.000 3/16128 890.0 0.148 0.208 0.277 0.000 0.000 0.000 3/16128 900.0 0.147 0.205 0.274 0.000 0.000 0.000 3/16128 910.0 0.145 0.203 0.271 0.000 0.000 0.000 3/16128 920.0 0.143 0.201 0.268 0.000 0.000 0.000 3/16128 930.0 0.142 0.199 0.265 0.000 0.000 0.000 3/16128 940.0 0.140 0.197 0.263 0.000 0.000 0.000 3/16128 950.0 0.139 0.195 0.260 0.000 0.000 0.000 3/16128 960.0 0.137 0.193 0.257 0.000 0.000 0.000 3/16128 970.0 0.136 0.191 0.254 0.000 0.000 0.000 3/16128 980.0 0.135 0.189 0.252 0.000 0.000 0.000 3/16128 990.0 0.133 0.187 0.249 0.000 0.000 0.000 3/16128 1000.0 0.132 0.185 0.247 0.000 0.000 0.000 3/16128 Thermal conductivity related properties were written into "kappa-m468.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:25:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|