----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:23:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.888611299573879 -3.159049170000000 0.000000000000000 b 5.888611299573879 3.159049170000000 0.000000000000000 c -5.763583725943276 0.000000000000000 15.286333721312536 Atomic positions (fractional): *1 Ag 0.16760782064204 0.07154061046675 0.21899219338619 107.868 2 Ag 0.92845938953325 0.83239217935796 0.28100780661381 107.868 *3 Ag 0.41863331570617 0.30382757232811 0.13403100158670 107.868 4 Ag 0.58136668429383 0.69617242767189 0.86596899841330 107.868 *5 Ag 0.14180474063089 0.98914529128832 0.94382677289431 107.868 6 Ag 0.98914529128832 0.14180474063089 0.44382677289431 107.868 7 Ag 0.83239217935796 0.92845938953325 0.78100780661381 107.868 8 Ag 0.01085470871168 0.85819525936911 0.55617322710569 107.868 9 Ag 0.69617242767189 0.58136668429383 0.36596899841330 107.868 10 Ag 0.85819525936911 0.01085470871168 0.05617322710569 107.868 11 Ag 0.07154061046675 0.16760782064204 0.71899219338619 107.868 12 Ag 0.30382757232811 0.41863331570617 0.63403100158670 107.868 *13 As 0.70773165214869 0.57215330031842 0.06714114044377 74.922 14 As 0.42784669968158 0.29226834785131 0.43285885955623 74.922 15 As 0.57215330031842 0.70773165214868 0.56714114044377 74.922 16 As 0.29226834785132 0.42784669968158 0.93285885955623 74.922 *17 S 0.05003037215896 0.63612337321646 0.40759435496623 32.065 *18 S 0.73765684439305 0.41492236344551 0.17806587692070 32.065 *19 S 0.32651206686935 0.99745305170076 0.36807136996521 32.065 20 S 0.00254694829924 0.67348793313065 0.13192863003479 32.065 21 S 0.58507763655449 0.26234315560695 0.32193412307930 32.065 22 S 0.67348793313065 0.00254694829924 0.63192863003479 32.065 23 S 0.99745305170076 0.32651206686935 0.86807136996521 32.065 24 S 0.26234315560695 0.58507763655449 0.82193412307930 32.065 25 S 0.63612337321646 0.05003037215896 0.90759435496623 32.065 26 S 0.36387662678354 0.94996962784104 0.09240564503377 32.065 27 S 0.94996962784104 0.36387662678354 0.59240564503377 32.065 28 S 0.41492236344551 0.73765684439305 0.67806587692070 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.777222599147757 0.000000000000000 0.000000000000000 b 0.000000000000000 6.318098340000001 0.000000000000000 c -5.763583725943276 0.000000000000000 15.286333721312536 Atomic positions (fractional): *1 Ag 0.61957421555440 0.45196639491235 0.21899219338619 107.868 > 1 2 Ag 0.88042578444560 0.95196639491235 0.28100780661381 107.868 > 2 *3 Ag 0.86123044401714 0.44259712831097 0.13403100158670 107.868 > 3 4 Ag 0.13876955598286 0.55740287168903 0.86596899841330 107.868 > 4 *5 Ag 0.06547501595961 0.92367027532871 0.94382677289431 107.868 > 5 6 Ag 0.06547501595961 0.07632972467129 0.44382677289431 107.868 > 6 7 Ag 0.38042578444560 0.54803360508765 0.78100780661381 107.868 > 7 8 Ag 0.93452498404039 0.92367027532871 0.55617322710569 107.868 > 8 9 Ag 0.13876955598286 0.44259712831097 0.36596899841330 107.868 > 9 10 Ag 0.93452498404039 0.07632972467129 0.05617322710569 107.868 > 10 11 Ag 0.11957421555440 0.04803360508765 0.71899219338619 107.868 > 11 12 Ag 0.86123044401714 0.55740287168903 0.63403100158670 107.868 > 12 13 Ag 0.11957421555440 0.95196639491235 0.21899219338619 107.868 > 1 14 Ag 0.38042578444560 0.45196639491235 0.28100780661381 107.868 > 2 15 Ag 0.36123044401714 0.94259712831097 0.13403100158670 107.868 > 3 16 Ag 0.63876955598286 0.05740287168903 0.86596899841330 107.868 > 4 17 Ag 0.56547501595961 0.42367027532871 0.94382677289431 107.868 > 5 18 Ag 0.56547501595961 0.57632972467129 0.44382677289431 107.868 > 6 19 Ag 0.88042578444560 0.04803360508765 0.78100780661381 107.868 > 7 20 Ag 0.43452498404040 0.42367027532871 0.55617322710569 107.868 > 8 21 Ag 0.63876955598286 0.94259712831097 0.36596899841330 107.868 > 9 22 Ag 0.43452498404040 0.57632972467129 0.05617322710569 107.868 > 10 23 Ag 0.61957421555440 0.54803360508765 0.71899219338619 107.868 > 11 24 Ag 0.36123044401714 0.05740287168903 0.63403100158670 107.868 > 12 *25 As 0.63994247623355 0.93221082408487 0.06714114044377 74.922 > 13 26 As 0.86005752376645 0.43221082408487 0.43285885955623 74.922 > 14 27 As 0.13994247623355 0.56778917591513 0.56714114044377 74.922 > 15 28 As 0.36005752376645 0.06778917591513 0.93285885955623 74.922 > 16 29 As 0.13994247623355 0.43221082408487 0.06714114044377 74.922 > 13 30 As 0.36005752376645 0.93221082408487 0.43285885955623 74.922 > 14 31 As 0.63994247623355 0.06778917591513 0.56714114044377 74.922 > 15 32 As 0.86005752376645 0.56778917591513 0.93285885955623 74.922 > 16 *33 S 0.84307687268771 0.79304650052875 0.40759435496623 32.065 > 17 *34 S 0.07628960391928 0.33863275952623 0.17806587692070 32.065 > 18 *35 S 0.16198255928505 0.83547049241571 0.36807136996521 32.065 > 19 36 S 0.83801744071495 0.83547049241571 0.13192863003479 32.065 > 20 37 S 0.92371039608072 0.33863275952623 0.32193412307930 32.065 > 21 38 S 0.83801744071495 0.16452950758429 0.63192863003479 32.065 > 22 39 S 0.16198255928505 0.16452950758429 0.86807136996521 32.065 > 23 40 S 0.92371039608072 0.66136724047377 0.82193412307930 32.065 > 24 41 S 0.34307687268771 0.70695349947125 0.90759435496623 32.065 > 25 42 S 0.65692312731229 0.29304650052875 0.09240564503377 32.065 > 26 43 S 0.15692312731229 0.20695349947125 0.59240564503377 32.065 > 27 44 S 0.07628960391928 0.66136724047377 0.67806587692070 32.065 > 28 45 S 0.34307687268771 0.29304650052875 0.40759435496623 32.065 > 17 46 S 0.57628960391928 0.83863275952623 0.17806587692070 32.065 > 18 47 S 0.66198255928505 0.33547049241571 0.36807136996521 32.065 > 19 48 S 0.33801744071495 0.33547049241571 0.13192863003479 32.065 > 20 49 S 0.42371039608072 0.83863275952623 0.32193412307930 32.065 > 21 50 S 0.33801744071495 0.66452950758429 0.63192863003479 32.065 > 22 51 S 0.66198255928505 0.66452950758429 0.86807136996521 32.065 > 23 52 S 0.42371039608072 0.16136724047377 0.82193412307930 32.065 > 24 53 S 0.84307687268771 0.20695349947125 0.90759435496623 32.065 > 25 54 S 0.15692312731229 0.79304650052875 0.09240564503377 32.065 > 26 55 S 0.65692312731229 0.70695349947125 0.59240564503377 32.065 > 27 56 S 0.57628960391928 0.16136724047377 0.67806587692070 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.777222599147757 0.000000000000000 0.000000000000000 b 0.000000000000000 12.636196680000001 0.000000000000000 c -5.763583725943276 0.000000000000000 15.286333721312536 Atomic positions (fractional): *1 Ag 0.61957421555440 0.22598319745618 0.21899219338619 107.868 > 1 2 Ag 0.61957421555440 0.72598319745618 0.21899219338619 107.868 > 1 3 Ag 0.88042578444560 0.47598319745618 0.28100780661381 107.868 > 2 4 Ag 0.88042578444560 0.97598319745618 0.28100780661381 107.868 > 2 *5 Ag 0.86123044401714 0.22129856415548 0.13403100158670 107.868 > 3 6 Ag 0.86123044401714 0.72129856415548 0.13403100158670 107.868 > 3 7 Ag 0.13876955598286 0.27870143584452 0.86596899841330 107.868 > 4 8 Ag 0.13876955598286 0.77870143584452 0.86596899841330 107.868 > 4 *9 Ag 0.06547501595961 0.46183513766436 0.94382677289431 107.868 > 5 10 Ag 0.06547501595961 0.96183513766436 0.94382677289431 107.868 > 5 11 Ag 0.06547501595961 0.03816486233564 0.44382677289431 107.868 > 6 12 Ag 0.06547501595961 0.53816486233564 0.44382677289431 107.868 > 6 13 Ag 0.38042578444560 0.27401680254382 0.78100780661381 107.868 > 7 14 Ag 0.38042578444560 0.77401680254382 0.78100780661381 107.868 > 7 15 Ag 0.93452498404039 0.46183513766436 0.55617322710569 107.868 > 8 16 Ag 0.93452498404039 0.96183513766436 0.55617322710569 107.868 > 8 17 Ag 0.13876955598286 0.22129856415548 0.36596899841330 107.868 > 9 18 Ag 0.13876955598286 0.72129856415548 0.36596899841330 107.868 > 9 19 Ag 0.93452498404039 0.03816486233564 0.05617322710569 107.868 > 10 20 Ag 0.93452498404039 0.53816486233564 0.05617322710569 107.868 > 10 21 Ag 0.11957421555440 0.02401680254382 0.71899219338619 107.868 > 11 22 Ag 0.11957421555440 0.52401680254382 0.71899219338619 107.868 > 11 23 Ag 0.86123044401714 0.27870143584452 0.63403100158670 107.868 > 12 24 Ag 0.86123044401714 0.77870143584452 0.63403100158670 107.868 > 12 25 Ag 0.11957421555440 0.47598319745618 0.21899219338619 107.868 > 1 26 Ag 0.11957421555440 0.97598319745618 0.21899219338619 107.868 > 1 27 Ag 0.38042578444560 0.22598319745618 0.28100780661381 107.868 > 2 28 Ag 0.38042578444560 0.72598319745618 0.28100780661381 107.868 > 2 29 Ag 0.36123044401714 0.47129856415548 0.13403100158670 107.868 > 3 30 Ag 0.36123044401714 0.97129856415548 0.13403100158670 107.868 > 3 31 Ag 0.63876955598286 0.02870143584452 0.86596899841330 107.868 > 4 32 Ag 0.63876955598286 0.52870143584452 0.86596899841330 107.868 > 4 33 Ag 0.56547501595961 0.21183513766436 0.94382677289431 107.868 > 5 34 Ag 0.56547501595961 0.71183513766436 0.94382677289431 107.868 > 5 35 Ag 0.56547501595961 0.28816486233564 0.44382677289431 107.868 > 6 36 Ag 0.56547501595961 0.78816486233564 0.44382677289431 107.868 > 6 37 Ag 0.88042578444560 0.02401680254382 0.78100780661381 107.868 > 7 38 Ag 0.88042578444560 0.52401680254382 0.78100780661381 107.868 > 7 39 Ag 0.43452498404040 0.21183513766436 0.55617322710569 107.868 > 8 40 Ag 0.43452498404040 0.71183513766436 0.55617322710569 107.868 > 8 41 Ag 0.63876955598286 0.47129856415548 0.36596899841330 107.868 > 9 42 Ag 0.63876955598286 0.97129856415548 0.36596899841330 107.868 > 9 43 Ag 0.43452498404040 0.28816486233564 0.05617322710569 107.868 > 10 44 Ag 0.43452498404040 0.78816486233564 0.05617322710569 107.868 > 10 45 Ag 0.61957421555440 0.27401680254382 0.71899219338619 107.868 > 11 46 Ag 0.61957421555440 0.77401680254382 0.71899219338619 107.868 > 11 47 Ag 0.36123044401714 0.02870143584452 0.63403100158670 107.868 > 12 48 Ag 0.36123044401714 0.52870143584452 0.63403100158670 107.868 > 12 *49 As 0.63994247623355 0.46610541204243 0.06714114044377 74.922 > 13 50 As 0.63994247623355 0.96610541204243 0.06714114044377 74.922 > 13 51 As 0.86005752376645 0.21610541204243 0.43285885955623 74.922 > 14 52 As 0.86005752376645 0.71610541204243 0.43285885955623 74.922 > 14 53 As 0.13994247623355 0.28389458795757 0.56714114044377 74.922 > 15 54 As 0.13994247623355 0.78389458795757 0.56714114044377 74.922 > 15 55 As 0.36005752376645 0.03389458795757 0.93285885955623 74.922 > 16 56 As 0.36005752376645 0.53389458795757 0.93285885955623 74.922 > 16 57 As 0.13994247623355 0.21610541204243 0.06714114044377 74.922 > 13 58 As 0.13994247623355 0.71610541204243 0.06714114044377 74.922 > 13 59 As 0.36005752376645 0.46610541204243 0.43285885955623 74.922 > 14 60 As 0.36005752376645 0.96610541204243 0.43285885955623 74.922 > 14 61 As 0.63994247623355 0.03389458795757 0.56714114044377 74.922 > 15 62 As 0.63994247623355 0.53389458795757 0.56714114044377 74.922 > 15 63 As 0.86005752376645 0.28389458795757 0.93285885955623 74.922 > 16 64 As 0.86005752376645 0.78389458795757 0.93285885955623 74.922 > 16 *65 S 0.84307687268771 0.39652325026438 0.40759435496623 32.065 > 17 66 S 0.84307687268771 0.89652325026438 0.40759435496623 32.065 > 17 *67 S 0.07628960391928 0.16931637976311 0.17806587692070 32.065 > 18 68 S 0.07628960391928 0.66931637976311 0.17806587692070 32.065 > 18 *69 S 0.16198255928505 0.41773524620785 0.36807136996521 32.065 > 19 70 S 0.16198255928505 0.91773524620785 0.36807136996521 32.065 > 19 71 S 0.83801744071495 0.41773524620785 0.13192863003479 32.065 > 20 72 S 0.83801744071495 0.91773524620785 0.13192863003479 32.065 > 20 73 S 0.92371039608072 0.16931637976311 0.32193412307930 32.065 > 21 74 S 0.92371039608072 0.66931637976311 0.32193412307930 32.065 > 21 75 S 0.83801744071495 0.08226475379215 0.63192863003479 32.065 > 22 76 S 0.83801744071495 0.58226475379215 0.63192863003479 32.065 > 22 77 S 0.16198255928505 0.08226475379215 0.86807136996521 32.065 > 23 78 S 0.16198255928505 0.58226475379215 0.86807136996521 32.065 > 23 79 S 0.92371039608072 0.33068362023689 0.82193412307930 32.065 > 24 80 S 0.92371039608072 0.83068362023689 0.82193412307930 32.065 > 24 81 S 0.34307687268771 0.35347674973562 0.90759435496623 32.065 > 25 82 S 0.34307687268771 0.85347674973562 0.90759435496623 32.065 > 25 83 S 0.65692312731229 0.14652325026438 0.09240564503377 32.065 > 26 84 S 0.65692312731229 0.64652325026438 0.09240564503377 32.065 > 26 85 S 0.15692312731229 0.10347674973562 0.59240564503377 32.065 > 27 86 S 0.15692312731229 0.60347674973562 0.59240564503377 32.065 > 27 87 S 0.07628960391928 0.33068362023689 0.67806587692070 32.065 > 28 88 S 0.07628960391928 0.83068362023689 0.67806587692070 32.065 > 28 89 S 0.34307687268771 0.14652325026438 0.40759435496623 32.065 > 17 90 S 0.34307687268771 0.64652325026438 0.40759435496623 32.065 > 17 91 S 0.57628960391928 0.41931637976311 0.17806587692070 32.065 > 18 92 S 0.57628960391928 0.91931637976311 0.17806587692070 32.065 > 18 93 S 0.66198255928505 0.16773524620785 0.36807136996521 32.065 > 19 94 S 0.66198255928505 0.66773524620785 0.36807136996521 32.065 > 19 95 S 0.33801744071495 0.16773524620785 0.13192863003479 32.065 > 20 96 S 0.33801744071495 0.66773524620785 0.13192863003479 32.065 > 20 97 S 0.42371039608072 0.41931637976311 0.32193412307930 32.065 > 21 98 S 0.42371039608072 0.91931637976311 0.32193412307930 32.065 > 21 99 S 0.33801744071495 0.33226475379215 0.63192863003479 32.065 > 22 100 S 0.33801744071495 0.83226475379215 0.63192863003479 32.065 > 22 101 S 0.66198255928505 0.33226475379215 0.86807136996521 32.065 > 23 102 S 0.66198255928505 0.83226475379215 0.86807136996521 32.065 > 23 103 S 0.42371039608072 0.08068362023689 0.82193412307930 32.065 > 24 104 S 0.42371039608072 0.58068362023689 0.82193412307930 32.065 > 24 105 S 0.84307687268771 0.10347674973562 0.90759435496623 32.065 > 25 106 S 0.84307687268771 0.60347674973562 0.90759435496623 32.065 > 25 107 S 0.15692312731229 0.39652325026438 0.09240564503377 32.065 > 26 108 S 0.15692312731229 0.89652325026438 0.09240564503377 32.065 > 26 109 S 0.65692312731229 0.35347674973562 0.59240564503377 32.065 > 27 110 S 0.65692312731229 0.85347674973562 0.59240564503377 32.065 > 27 111 S 0.57628960391928 0.08068362023689 0.67806587692070 32.065 > 28 112 S 0.57628960391928 0.58068362023689 0.67806587692070 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.1023074 0.0000000 -0.1273282 0.0000000 10.0959035 0.0000000 -0.1273324 0.0000000 9.1059899 -------------------------- Born effective charges -------------------------- 1 Ag 0.7002912 -0.2197802 0.0076761 -0.1087937 1.0513454 -0.1873697 -0.0079949 -0.0366044 1.0672244 2 Ag 0.7002912 0.2197802 0.0076761 0.1087937 1.0513454 0.1873697 -0.0079949 0.0366044 1.0672244 3 Ag 1.0374784 -0.0075643 0.1130775 -0.2283165 1.0480967 -0.0478143 -0.0505787 0.1125324 0.8549733 4 Ag 1.0374784 -0.0075643 0.1130775 -0.2283165 1.0480967 -0.0478143 -0.0505787 0.1125324 0.8549733 5 Ag 0.9969527 -0.0720749 0.1676665 -0.1803987 0.8886846 -0.0101981 -0.0171877 -0.0839433 0.9207393 6 Ag 0.9969527 0.0720749 0.1676665 0.1803987 0.8886846 0.0101981 -0.0171877 0.0839433 0.9207393 7 Ag 0.7002912 -0.2197802 0.0076761 -0.1087937 1.0513454 -0.1873697 -0.0079949 -0.0366044 1.0672244 8 Ag 0.9969527 0.0720749 0.1676665 0.1803987 0.8886846 0.0101981 -0.0171877 0.0839433 0.9207393 9 Ag 1.0374784 0.0075643 0.1130775 0.2283165 1.0480967 0.0478143 -0.0505787 -0.1125324 0.8549733 10 Ag 0.9969527 -0.0720749 0.1676665 -0.1803987 0.8886846 -0.0101981 -0.0171877 -0.0839433 0.9207393 11 Ag 0.7002912 0.2197802 0.0076761 0.1087937 1.0513454 0.1873697 -0.0079949 0.0366044 1.0672244 12 Ag 1.0374784 0.0075643 0.1130775 0.2283165 1.0480967 0.0478143 -0.0505787 -0.1125324 0.8549733 13 As 2.4903774 -0.0736399 -0.2926650 0.3567587 2.5355269 -0.7852292 0.0698322 -0.5722309 1.0122219 14 As 2.4903774 0.0736399 -0.2926650 -0.3567587 2.5355269 0.7852292 0.0698322 0.5722309 1.0122219 15 As 2.4903774 0.0736399 -0.2926650 -0.3567587 2.5355269 0.7852292 0.0698322 0.5722309 1.0122219 16 As 2.4903774 -0.0736399 -0.2926650 0.3567587 2.5355269 -0.7852292 0.0698322 -0.5722309 1.0122219 17 S -0.9850243 -0.2798829 -0.1062891 -0.1941337 -2.7397591 0.1833273 -0.1170040 -0.1211070 -0.9052883 18 S -1.8267213 -0.4793534 0.8911745 -0.4858768 -1.5208534 0.5567272 0.5019435 0.2051633 -1.8131425 19 S -2.4133540 -0.4354784 -0.7806405 -0.4544702 -1.2630410 -0.3498351 -0.3790105 -0.1604975 -1.1367281 20 S -2.4133540 0.4354784 -0.7806405 0.4544702 -1.2630410 0.3498351 -0.3790105 0.1604975 -1.1367281 21 S -1.8267213 0.4793534 0.8911745 0.4858768 -1.5208534 -0.5567272 0.5019435 -0.2051633 -1.8131425 22 S -2.4133540 -0.4354784 -0.7806405 -0.4544702 -1.2630410 -0.3498351 -0.3790105 -0.1604975 -1.1367281 23 S -2.4133540 0.4354784 -0.7806405 0.4544702 -1.2630410 0.3498351 -0.3790105 0.1604975 -1.1367281 24 S -1.8267213 -0.4793534 0.8911745 -0.4858768 -1.5208534 0.5567272 0.5019435 0.2051633 -1.8131425 25 S -0.9850243 0.2798829 -0.1062891 0.1941337 -2.7397591 -0.1833273 -0.1170040 0.1211070 -0.9052883 26 S -0.9850243 0.2798829 -0.1062891 0.1941337 -2.7397591 -0.1833273 -0.1170040 0.1211070 -0.9052883 27 S -0.9850243 -0.2798829 -0.1062891 -0.1941337 -2.7397591 0.1833273 -0.1170040 -0.1211070 -0.9052883 28 S -1.8267213 0.4793534 0.8911745 0.4858768 -1.5208534 -0.5567272 0.5019435 -0.2051633 -1.8131425 ---------------------------------------------------------------------------- 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: 16932/16932 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.018 Solver_block: 200 / 880 - Time: 0.951 Solver_block: 300 / 880 - Time: 0.960 Solver_block: 400 / 880 - Time: 0.969 Solver_block: 500 / 880 - Time: 0.960 Solver_block: 600 / 880 - Time: 0.958 Solver_block: 700 / 880 - Time: 0.960 Solver_block: 800 / 880 - Time: 0.972 Solver_block: 880 / 880 - Time: 0.786 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.705 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 16932/16932 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:24:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:24:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.888611299573879 -3.159049170000000 0.000000000000000 b 5.888611299573879 3.159049170000000 0.000000000000000 c -5.763583725943276 0.000000000000000 15.286333721312536 Atomic positions (fractional): 1 Ag 0.16760782064204 0.07154061046675 0.21899219338619 107.868 2 Ag 0.92845938953325 0.83239217935796 0.28100780661381 107.868 3 Ag 0.41863331570617 0.30382757232811 0.13403100158670 107.868 4 Ag 0.58136668429383 0.69617242767189 0.86596899841330 107.868 5 Ag 0.14180474063089 0.98914529128832 0.94382677289431 107.868 6 Ag 0.98914529128832 0.14180474063089 0.44382677289431 107.868 7 Ag 0.83239217935796 0.92845938953325 0.78100780661381 107.868 8 Ag 0.01085470871168 0.85819525936911 0.55617322710569 107.868 9 Ag 0.69617242767189 0.58136668429383 0.36596899841330 107.868 10 Ag 0.85819525936911 0.01085470871168 0.05617322710569 107.868 11 Ag 0.07154061046675 0.16760782064204 0.71899219338619 107.868 12 Ag 0.30382757232811 0.41863331570617 0.63403100158670 107.868 13 As 0.70773165214869 0.57215330031842 0.06714114044377 74.922 14 As 0.42784669968158 0.29226834785131 0.43285885955623 74.922 15 As 0.57215330031842 0.70773165214868 0.56714114044377 74.922 16 As 0.29226834785132 0.42784669968158 0.93285885955623 74.922 17 S 0.05003037215896 0.63612337321646 0.40759435496623 32.065 18 S 0.73765684439305 0.41492236344551 0.17806587692070 32.065 19 S 0.32651206686935 0.99745305170076 0.36807136996521 32.065 20 S 0.00254694829924 0.67348793313065 0.13192863003479 32.065 21 S 0.58507763655449 0.26234315560695 0.32193412307930 32.065 22 S 0.67348793313065 0.00254694829924 0.63192863003479 32.065 23 S 0.99745305170076 0.32651206686935 0.86807136996521 32.065 24 S 0.26234315560695 0.58507763655449 0.82193412307930 32.065 25 S 0.63612337321646 0.05003037215896 0.90759435496623 32.065 26 S 0.36387662678354 0.94996962784104 0.09240564503377 32.065 27 S 0.94996962784104 0.36387662678354 0.59240564503377 32.065 28 S 0.41492236344551 0.73765684439305 0.67806587692070 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.777222599147757 0.000000000000000 0.000000000000000 b 0.000000000000000 12.636196680000001 0.000000000000000 c -5.763583725943276 0.000000000000000 15.286333721312536 Atomic positions (fractional): 1 Ag 0.61957421555440 0.22598319745618 0.21899219338619 107.868 > 1 2 Ag 0.61957421555440 0.72598319745618 0.21899219338619 107.868 > 1 3 Ag 0.88042578444560 0.47598319745618 0.28100780661381 107.868 > 3 4 Ag 0.88042578444560 0.97598319745618 0.28100780661381 107.868 > 3 5 Ag 0.86123044401714 0.22129856415548 0.13403100158670 107.868 > 5 6 Ag 0.86123044401714 0.72129856415548 0.13403100158670 107.868 > 5 7 Ag 0.13876955598286 0.27870143584452 0.86596899841330 107.868 > 7 8 Ag 0.13876955598286 0.77870143584452 0.86596899841330 107.868 > 7 9 Ag 0.06547501595961 0.46183513766436 0.94382677289431 107.868 > 9 10 Ag 0.06547501595961 0.96183513766436 0.94382677289431 107.868 > 9 11 Ag 0.06547501595961 0.03816486233564 0.44382677289431 107.868 > 11 12 Ag 0.06547501595961 0.53816486233564 0.44382677289431 107.868 > 11 13 Ag 0.38042578444560 0.27401680254382 0.78100780661381 107.868 > 13 14 Ag 0.38042578444560 0.77401680254382 0.78100780661381 107.868 > 13 15 Ag 0.93452498404039 0.46183513766436 0.55617322710569 107.868 > 15 16 Ag 0.93452498404039 0.96183513766436 0.55617322710569 107.868 > 15 17 Ag 0.13876955598286 0.22129856415548 0.36596899841330 107.868 > 17 18 Ag 0.13876955598286 0.72129856415548 0.36596899841330 107.868 > 17 19 Ag 0.93452498404039 0.03816486233564 0.05617322710569 107.868 > 19 20 Ag 0.93452498404039 0.53816486233564 0.05617322710569 107.868 > 19 21 Ag 0.11957421555440 0.02401680254382 0.71899219338619 107.868 > 21 22 Ag 0.11957421555440 0.52401680254382 0.71899219338619 107.868 > 21 23 Ag 0.86123044401714 0.27870143584452 0.63403100158670 107.868 > 23 24 Ag 0.86123044401714 0.77870143584452 0.63403100158670 107.868 > 23 25 Ag 0.11957421555440 0.47598319745618 0.21899219338619 107.868 > 1 26 Ag 0.11957421555440 0.97598319745618 0.21899219338619 107.868 > 1 27 Ag 0.38042578444560 0.22598319745618 0.28100780661381 107.868 > 3 28 Ag 0.38042578444560 0.72598319745618 0.28100780661381 107.868 > 3 29 Ag 0.36123044401714 0.47129856415548 0.13403100158670 107.868 > 5 30 Ag 0.36123044401714 0.97129856415548 0.13403100158670 107.868 > 5 31 Ag 0.63876955598286 0.02870143584452 0.86596899841330 107.868 > 7 32 Ag 0.63876955598286 0.52870143584452 0.86596899841330 107.868 > 7 33 Ag 0.56547501595961 0.21183513766436 0.94382677289431 107.868 > 9 34 Ag 0.56547501595961 0.71183513766436 0.94382677289431 107.868 > 9 35 Ag 0.56547501595961 0.28816486233564 0.44382677289431 107.868 > 11 36 Ag 0.56547501595961 0.78816486233564 0.44382677289431 107.868 > 11 37 Ag 0.88042578444560 0.02401680254382 0.78100780661381 107.868 > 13 38 Ag 0.88042578444560 0.52401680254382 0.78100780661381 107.868 > 13 39 Ag 0.43452498404040 0.21183513766436 0.55617322710569 107.868 > 15 40 Ag 0.43452498404040 0.71183513766436 0.55617322710569 107.868 > 15 41 Ag 0.63876955598286 0.47129856415548 0.36596899841330 107.868 > 17 42 Ag 0.63876955598286 0.97129856415548 0.36596899841330 107.868 > 17 43 Ag 0.43452498404040 0.28816486233564 0.05617322710569 107.868 > 19 44 Ag 0.43452498404040 0.78816486233564 0.05617322710569 107.868 > 19 45 Ag 0.61957421555440 0.27401680254382 0.71899219338619 107.868 > 21 46 Ag 0.61957421555440 0.77401680254382 0.71899219338619 107.868 > 21 47 Ag 0.36123044401714 0.02870143584452 0.63403100158670 107.868 > 23 48 Ag 0.36123044401714 0.52870143584452 0.63403100158670 107.868 > 23 49 As 0.63994247623355 0.46610541204243 0.06714114044377 74.922 > 49 50 As 0.63994247623355 0.96610541204243 0.06714114044377 74.922 > 49 51 As 0.86005752376645 0.21610541204243 0.43285885955623 74.922 > 51 52 As 0.86005752376645 0.71610541204243 0.43285885955623 74.922 > 51 53 As 0.13994247623355 0.28389458795757 0.56714114044377 74.922 > 53 54 As 0.13994247623355 0.78389458795757 0.56714114044377 74.922 > 53 55 As 0.36005752376645 0.03389458795757 0.93285885955623 74.922 > 55 56 As 0.36005752376645 0.53389458795757 0.93285885955623 74.922 > 55 57 As 0.13994247623355 0.21610541204243 0.06714114044377 74.922 > 49 58 As 0.13994247623355 0.71610541204243 0.06714114044377 74.922 > 49 59 As 0.36005752376645 0.46610541204243 0.43285885955623 74.922 > 51 60 As 0.36005752376645 0.96610541204243 0.43285885955623 74.922 > 51 61 As 0.63994247623355 0.03389458795757 0.56714114044377 74.922 > 53 62 As 0.63994247623355 0.53389458795757 0.56714114044377 74.922 > 53 63 As 0.86005752376645 0.28389458795757 0.93285885955623 74.922 > 55 64 As 0.86005752376645 0.78389458795757 0.93285885955623 74.922 > 55 65 S 0.84307687268771 0.39652325026438 0.40759435496623 32.065 > 65 66 S 0.84307687268771 0.89652325026438 0.40759435496623 32.065 > 65 67 S 0.07628960391928 0.16931637976311 0.17806587692070 32.065 > 67 68 S 0.07628960391928 0.66931637976311 0.17806587692070 32.065 > 67 69 S 0.16198255928505 0.41773524620785 0.36807136996521 32.065 > 69 70 S 0.16198255928505 0.91773524620785 0.36807136996521 32.065 > 69 71 S 0.83801744071495 0.41773524620785 0.13192863003479 32.065 > 71 72 S 0.83801744071495 0.91773524620785 0.13192863003479 32.065 > 71 73 S 0.92371039608072 0.16931637976311 0.32193412307930 32.065 > 73 74 S 0.92371039608072 0.66931637976311 0.32193412307930 32.065 > 73 75 S 0.83801744071495 0.08226475379215 0.63192863003479 32.065 > 75 76 S 0.83801744071495 0.58226475379215 0.63192863003479 32.065 > 75 77 S 0.16198255928505 0.08226475379215 0.86807136996521 32.065 > 77 78 S 0.16198255928505 0.58226475379215 0.86807136996521 32.065 > 77 79 S 0.92371039608072 0.33068362023689 0.82193412307930 32.065 > 79 80 S 0.92371039608072 0.83068362023689 0.82193412307930 32.065 > 79 81 S 0.34307687268771 0.35347674973562 0.90759435496623 32.065 > 81 82 S 0.34307687268771 0.85347674973562 0.90759435496623 32.065 > 81 83 S 0.65692312731229 0.14652325026438 0.09240564503377 32.065 > 83 84 S 0.65692312731229 0.64652325026438 0.09240564503377 32.065 > 83 85 S 0.15692312731229 0.10347674973562 0.59240564503377 32.065 > 85 86 S 0.15692312731229 0.60347674973562 0.59240564503377 32.065 > 85 87 S 0.07628960391928 0.33068362023689 0.67806587692070 32.065 > 87 88 S 0.07628960391928 0.83068362023689 0.67806587692070 32.065 > 87 89 S 0.34307687268771 0.14652325026438 0.40759435496623 32.065 > 65 90 S 0.34307687268771 0.64652325026438 0.40759435496623 32.065 > 65 91 S 0.57628960391928 0.41931637976311 0.17806587692070 32.065 > 67 92 S 0.57628960391928 0.91931637976311 0.17806587692070 32.065 > 67 93 S 0.66198255928505 0.16773524620785 0.36807136996521 32.065 > 69 94 S 0.66198255928505 0.66773524620785 0.36807136996521 32.065 > 69 95 S 0.33801744071495 0.16773524620785 0.13192863003479 32.065 > 71 96 S 0.33801744071495 0.66773524620785 0.13192863003479 32.065 > 71 97 S 0.42371039608072 0.41931637976311 0.32193412307930 32.065 > 73 98 S 0.42371039608072 0.91931637976311 0.32193412307930 32.065 > 73 99 S 0.33801744071495 0.33226475379215 0.63192863003479 32.065 > 75 100 S 0.33801744071495 0.83226475379215 0.63192863003479 32.065 > 75 101 S 0.66198255928505 0.33226475379215 0.86807136996521 32.065 > 77 102 S 0.66198255928505 0.83226475379215 0.86807136996521 32.065 > 77 103 S 0.42371039608072 0.08068362023689 0.82193412307930 32.065 > 79 104 S 0.42371039608072 0.58068362023689 0.82193412307930 32.065 > 79 105 S 0.84307687268771 0.10347674973562 0.90759435496623 32.065 > 81 106 S 0.84307687268771 0.60347674973562 0.90759435496623 32.065 > 81 107 S 0.15692312731229 0.39652325026438 0.09240564503377 32.065 > 83 108 S 0.15692312731229 0.89652325026438 0.09240564503377 32.065 > 83 109 S 0.65692312731229 0.35347674973562 0.59240564503377 32.065 > 85 110 S 0.65692312731229 0.85347674973562 0.59240564503377 32.065 > 85 111 S 0.57628960391928 0.08068362023689 0.67806587692070 32.065 > 87 112 S 0.57628960391928 0.58068362023689 0.67806587692070 32.065 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.1023074 0.0000000 -0.1273282 0.0000000 10.0959035 0.0000000 -0.1273324 0.0000000 9.1059899 -------------------------- Born effective charges -------------------------- 1 Ag 0.7002912 -0.2197802 0.0076761 -0.1087937 1.0513454 -0.1873697 -0.0079949 -0.0366044 1.0672244 2 Ag 0.7002912 0.2197802 0.0076761 0.1087937 1.0513454 0.1873697 -0.0079949 0.0366044 1.0672244 3 Ag 1.0374784 -0.0075643 0.1130775 -0.2283165 1.0480967 -0.0478143 -0.0505787 0.1125324 0.8549733 4 Ag 1.0374784 -0.0075643 0.1130775 -0.2283165 1.0480967 -0.0478143 -0.0505787 0.1125324 0.8549733 5 Ag 0.9969527 -0.0720749 0.1676665 -0.1803987 0.8886846 -0.0101981 -0.0171877 -0.0839433 0.9207393 6 Ag 0.9969527 0.0720749 0.1676665 0.1803987 0.8886846 0.0101981 -0.0171877 0.0839433 0.9207393 7 Ag 0.7002912 -0.2197802 0.0076761 -0.1087937 1.0513454 -0.1873697 -0.0079949 -0.0366044 1.0672244 8 Ag 0.9969527 0.0720749 0.1676665 0.1803987 0.8886846 0.0101981 -0.0171877 0.0839433 0.9207393 9 Ag 1.0374784 0.0075643 0.1130775 0.2283165 1.0480967 0.0478143 -0.0505787 -0.1125324 0.8549733 10 Ag 0.9969527 -0.0720749 0.1676665 -0.1803987 0.8886846 -0.0101981 -0.0171877 -0.0839433 0.9207393 11 Ag 0.7002912 0.2197802 0.0076761 0.1087937 1.0513454 0.1873697 -0.0079949 0.0366044 1.0672244 12 Ag 1.0374784 0.0075643 0.1130775 0.2283165 1.0480967 0.0478143 -0.0505787 -0.1125324 0.8549733 13 As 2.4903774 -0.0736399 -0.2926650 0.3567587 2.5355269 -0.7852292 0.0698322 -0.5722309 1.0122219 14 As 2.4903774 0.0736399 -0.2926650 -0.3567587 2.5355269 0.7852292 0.0698322 0.5722309 1.0122219 15 As 2.4903774 0.0736399 -0.2926650 -0.3567587 2.5355269 0.7852292 0.0698322 0.5722309 1.0122219 16 As 2.4903774 -0.0736399 -0.2926650 0.3567587 2.5355269 -0.7852292 0.0698322 -0.5722309 1.0122219 17 S -0.9850243 -0.2798829 -0.1062891 -0.1941337 -2.7397591 0.1833273 -0.1170040 -0.1211070 -0.9052883 18 S -1.8267213 -0.4793534 0.8911745 -0.4858768 -1.5208534 0.5567272 0.5019435 0.2051633 -1.8131425 19 S -2.4133540 -0.4354784 -0.7806405 -0.4544702 -1.2630410 -0.3498351 -0.3790105 -0.1604975 -1.1367281 20 S -2.4133540 0.4354784 -0.7806405 0.4544702 -1.2630410 0.3498351 -0.3790105 0.1604975 -1.1367281 21 S -1.8267213 0.4793534 0.8911745 0.4858768 -1.5208534 -0.5567272 0.5019435 -0.2051633 -1.8131425 22 S -2.4133540 -0.4354784 -0.7806405 -0.4544702 -1.2630410 -0.3498351 -0.3790105 -0.1604975 -1.1367281 23 S -2.4133540 0.4354784 -0.7806405 0.4544702 -1.2630410 0.3498351 -0.3790105 0.1604975 -1.1367281 24 S -1.8267213 -0.4793534 0.8911745 -0.4858768 -1.5208534 0.5567272 0.5019435 0.2051633 -1.8131425 25 S -0.9850243 0.2798829 -0.1062891 0.1941337 -2.7397591 -0.1833273 -0.1170040 0.1211070 -0.9052883 26 S -0.9850243 0.2798829 -0.1062891 0.1941337 -2.7397591 -0.1833273 -0.1170040 0.1211070 -0.9052883 27 S -0.9850243 -0.2798829 -0.1062891 -0.1941337 -2.7397591 0.1833273 -0.1170040 -0.1211070 -0.9052883 28 S -1.8267213 0.4793534 0.8911745 0.4858768 -1.5208534 -0.5567272 0.5019435 -0.2051633 -1.8131425 ---------------------------------------------------------------------------- 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 67, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 69, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 17:25:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:25:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.888611299573879 -3.159049170000000 0.000000000000000 b 5.888611299573879 3.159049170000000 0.000000000000000 c -5.763583725943276 0.000000000000000 15.286333721312536 Atomic positions (fractional): 1 Ag 0.16760782064204 0.07154061046675 0.21899219338619 107.868 2 Ag 0.92845938953325 0.83239217935796 0.28100780661381 107.868 3 Ag 0.41863331570617 0.30382757232811 0.13403100158670 107.868 4 Ag 0.58136668429383 0.69617242767189 0.86596899841330 107.868 5 Ag 0.14180474063089 0.98914529128832 0.94382677289431 107.868 6 Ag 0.98914529128832 0.14180474063089 0.44382677289431 107.868 7 Ag 0.83239217935796 0.92845938953325 0.78100780661381 107.868 8 Ag 0.01085470871168 0.85819525936911 0.55617322710569 107.868 9 Ag 0.69617242767189 0.58136668429383 0.36596899841330 107.868 10 Ag 0.85819525936911 0.01085470871168 0.05617322710569 107.868 11 Ag 0.07154061046675 0.16760782064204 0.71899219338619 107.868 12 Ag 0.30382757232811 0.41863331570617 0.63403100158670 107.868 13 As 0.70773165214869 0.57215330031842 0.06714114044377 74.922 14 As 0.42784669968158 0.29226834785131 0.43285885955623 74.922 15 As 0.57215330031842 0.70773165214868 0.56714114044377 74.922 16 As 0.29226834785132 0.42784669968158 0.93285885955623 74.922 17 S 0.05003037215896 0.63612337321646 0.40759435496623 32.065 18 S 0.73765684439305 0.41492236344551 0.17806587692070 32.065 19 S 0.32651206686935 0.99745305170076 0.36807136996521 32.065 20 S 0.00254694829924 0.67348793313065 0.13192863003479 32.065 21 S 0.58507763655449 0.26234315560695 0.32193412307930 32.065 22 S 0.67348793313065 0.00254694829924 0.63192863003479 32.065 23 S 0.99745305170076 0.32651206686935 0.86807136996521 32.065 24 S 0.26234315560695 0.58507763655449 0.82193412307930 32.065 25 S 0.63612337321646 0.05003037215896 0.90759435496623 32.065 26 S 0.36387662678354 0.94996962784104 0.09240564503377 32.065 27 S 0.94996962784104 0.36387662678354 0.59240564503377 32.065 28 S 0.41492236344551 0.73765684439305 0.67806587692070 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.777222599147757 0.000000000000000 0.000000000000000 b 0.000000000000000 12.636196680000001 0.000000000000000 c -5.763583725943276 0.000000000000000 15.286333721312536 Atomic positions (fractional): 1 Ag 0.61957421555440 0.22598319745618 0.21899219338619 107.868 > 1 2 Ag 0.61957421555440 0.72598319745618 0.21899219338619 107.868 > 1 3 Ag 0.88042578444560 0.47598319745618 0.28100780661381 107.868 > 3 4 Ag 0.88042578444560 0.97598319745618 0.28100780661381 107.868 > 3 5 Ag 0.86123044401714 0.22129856415548 0.13403100158670 107.868 > 5 6 Ag 0.86123044401714 0.72129856415548 0.13403100158670 107.868 > 5 7 Ag 0.13876955598286 0.27870143584452 0.86596899841330 107.868 > 7 8 Ag 0.13876955598286 0.77870143584452 0.86596899841330 107.868 > 7 9 Ag 0.06547501595961 0.46183513766436 0.94382677289431 107.868 > 9 10 Ag 0.06547501595961 0.96183513766436 0.94382677289431 107.868 > 9 11 Ag 0.06547501595961 0.03816486233564 0.44382677289431 107.868 > 11 12 Ag 0.06547501595961 0.53816486233564 0.44382677289431 107.868 > 11 13 Ag 0.38042578444560 0.27401680254382 0.78100780661381 107.868 > 13 14 Ag 0.38042578444560 0.77401680254382 0.78100780661381 107.868 > 13 15 Ag 0.93452498404039 0.46183513766436 0.55617322710569 107.868 > 15 16 Ag 0.93452498404039 0.96183513766436 0.55617322710569 107.868 > 15 17 Ag 0.13876955598286 0.22129856415548 0.36596899841330 107.868 > 17 18 Ag 0.13876955598286 0.72129856415548 0.36596899841330 107.868 > 17 19 Ag 0.93452498404039 0.03816486233564 0.05617322710569 107.868 > 19 20 Ag 0.93452498404039 0.53816486233564 0.05617322710569 107.868 > 19 21 Ag 0.11957421555440 0.02401680254382 0.71899219338619 107.868 > 21 22 Ag 0.11957421555440 0.52401680254382 0.71899219338619 107.868 > 21 23 Ag 0.86123044401714 0.27870143584452 0.63403100158670 107.868 > 23 24 Ag 0.86123044401714 0.77870143584452 0.63403100158670 107.868 > 23 25 Ag 0.11957421555440 0.47598319745618 0.21899219338619 107.868 > 1 26 Ag 0.11957421555440 0.97598319745618 0.21899219338619 107.868 > 1 27 Ag 0.38042578444560 0.22598319745618 0.28100780661381 107.868 > 3 28 Ag 0.38042578444560 0.72598319745618 0.28100780661381 107.868 > 3 29 Ag 0.36123044401714 0.47129856415548 0.13403100158670 107.868 > 5 30 Ag 0.36123044401714 0.97129856415548 0.13403100158670 107.868 > 5 31 Ag 0.63876955598286 0.02870143584452 0.86596899841330 107.868 > 7 32 Ag 0.63876955598286 0.52870143584452 0.86596899841330 107.868 > 7 33 Ag 0.56547501595961 0.21183513766436 0.94382677289431 107.868 > 9 34 Ag 0.56547501595961 0.71183513766436 0.94382677289431 107.868 > 9 35 Ag 0.56547501595961 0.28816486233564 0.44382677289431 107.868 > 11 36 Ag 0.56547501595961 0.78816486233564 0.44382677289431 107.868 > 11 37 Ag 0.88042578444560 0.02401680254382 0.78100780661381 107.868 > 13 38 Ag 0.88042578444560 0.52401680254382 0.78100780661381 107.868 > 13 39 Ag 0.43452498404040 0.21183513766436 0.55617322710569 107.868 > 15 40 Ag 0.43452498404040 0.71183513766436 0.55617322710569 107.868 > 15 41 Ag 0.63876955598286 0.47129856415548 0.36596899841330 107.868 > 17 42 Ag 0.63876955598286 0.97129856415548 0.36596899841330 107.868 > 17 43 Ag 0.43452498404040 0.28816486233564 0.05617322710569 107.868 > 19 44 Ag 0.43452498404040 0.78816486233564 0.05617322710569 107.868 > 19 45 Ag 0.61957421555440 0.27401680254382 0.71899219338619 107.868 > 21 46 Ag 0.61957421555440 0.77401680254382 0.71899219338619 107.868 > 21 47 Ag 0.36123044401714 0.02870143584452 0.63403100158670 107.868 > 23 48 Ag 0.36123044401714 0.52870143584452 0.63403100158670 107.868 > 23 49 As 0.63994247623355 0.46610541204243 0.06714114044377 74.922 > 49 50 As 0.63994247623355 0.96610541204243 0.06714114044377 74.922 > 49 51 As 0.86005752376645 0.21610541204243 0.43285885955623 74.922 > 51 52 As 0.86005752376645 0.71610541204243 0.43285885955623 74.922 > 51 53 As 0.13994247623355 0.28389458795757 0.56714114044377 74.922 > 53 54 As 0.13994247623355 0.78389458795757 0.56714114044377 74.922 > 53 55 As 0.36005752376645 0.03389458795757 0.93285885955623 74.922 > 55 56 As 0.36005752376645 0.53389458795757 0.93285885955623 74.922 > 55 57 As 0.13994247623355 0.21610541204243 0.06714114044377 74.922 > 49 58 As 0.13994247623355 0.71610541204243 0.06714114044377 74.922 > 49 59 As 0.36005752376645 0.46610541204243 0.43285885955623 74.922 > 51 60 As 0.36005752376645 0.96610541204243 0.43285885955623 74.922 > 51 61 As 0.63994247623355 0.03389458795757 0.56714114044377 74.922 > 53 62 As 0.63994247623355 0.53389458795757 0.56714114044377 74.922 > 53 63 As 0.86005752376645 0.28389458795757 0.93285885955623 74.922 > 55 64 As 0.86005752376645 0.78389458795757 0.93285885955623 74.922 > 55 65 S 0.84307687268771 0.39652325026438 0.40759435496623 32.065 > 65 66 S 0.84307687268771 0.89652325026438 0.40759435496623 32.065 > 65 67 S 0.07628960391928 0.16931637976311 0.17806587692070 32.065 > 67 68 S 0.07628960391928 0.66931637976311 0.17806587692070 32.065 > 67 69 S 0.16198255928505 0.41773524620785 0.36807136996521 32.065 > 69 70 S 0.16198255928505 0.91773524620785 0.36807136996521 32.065 > 69 71 S 0.83801744071495 0.41773524620785 0.13192863003479 32.065 > 71 72 S 0.83801744071495 0.91773524620785 0.13192863003479 32.065 > 71 73 S 0.92371039608072 0.16931637976311 0.32193412307930 32.065 > 73 74 S 0.92371039608072 0.66931637976311 0.32193412307930 32.065 > 73 75 S 0.83801744071495 0.08226475379215 0.63192863003479 32.065 > 75 76 S 0.83801744071495 0.58226475379215 0.63192863003479 32.065 > 75 77 S 0.16198255928505 0.08226475379215 0.86807136996521 32.065 > 77 78 S 0.16198255928505 0.58226475379215 0.86807136996521 32.065 > 77 79 S 0.92371039608072 0.33068362023689 0.82193412307930 32.065 > 79 80 S 0.92371039608072 0.83068362023689 0.82193412307930 32.065 > 79 81 S 0.34307687268771 0.35347674973562 0.90759435496623 32.065 > 81 82 S 0.34307687268771 0.85347674973562 0.90759435496623 32.065 > 81 83 S 0.65692312731229 0.14652325026438 0.09240564503377 32.065 > 83 84 S 0.65692312731229 0.64652325026438 0.09240564503377 32.065 > 83 85 S 0.15692312731229 0.10347674973562 0.59240564503377 32.065 > 85 86 S 0.15692312731229 0.60347674973562 0.59240564503377 32.065 > 85 87 S 0.07628960391928 0.33068362023689 0.67806587692070 32.065 > 87 88 S 0.07628960391928 0.83068362023689 0.67806587692070 32.065 > 87 89 S 0.34307687268771 0.14652325026438 0.40759435496623 32.065 > 65 90 S 0.34307687268771 0.64652325026438 0.40759435496623 32.065 > 65 91 S 0.57628960391928 0.41931637976311 0.17806587692070 32.065 > 67 92 S 0.57628960391928 0.91931637976311 0.17806587692070 32.065 > 67 93 S 0.66198255928505 0.16773524620785 0.36807136996521 32.065 > 69 94 S 0.66198255928505 0.66773524620785 0.36807136996521 32.065 > 69 95 S 0.33801744071495 0.16773524620785 0.13192863003479 32.065 > 71 96 S 0.33801744071495 0.66773524620785 0.13192863003479 32.065 > 71 97 S 0.42371039608072 0.41931637976311 0.32193412307930 32.065 > 73 98 S 0.42371039608072 0.91931637976311 0.32193412307930 32.065 > 73 99 S 0.33801744071495 0.33226475379215 0.63192863003479 32.065 > 75 100 S 0.33801744071495 0.83226475379215 0.63192863003479 32.065 > 75 101 S 0.66198255928505 0.33226475379215 0.86807136996521 32.065 > 77 102 S 0.66198255928505 0.83226475379215 0.86807136996521 32.065 > 77 103 S 0.42371039608072 0.08068362023689 0.82193412307930 32.065 > 79 104 S 0.42371039608072 0.58068362023689 0.82193412307930 32.065 > 79 105 S 0.84307687268771 0.10347674973562 0.90759435496623 32.065 > 81 106 S 0.84307687268771 0.60347674973562 0.90759435496623 32.065 > 81 107 S 0.15692312731229 0.39652325026438 0.09240564503377 32.065 > 83 108 S 0.15692312731229 0.89652325026438 0.09240564503377 32.065 > 83 109 S 0.65692312731229 0.35347674973562 0.59240564503377 32.065 > 85 110 S 0.65692312731229 0.85347674973562 0.59240564503377 32.065 > 85 111 S 0.57628960391928 0.08068362023689 0.67806587692070 32.065 > 87 112 S 0.57628960391928 0.58068362023689 0.67806587692070 32.065 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.1023074 0.0000000 -0.1273282 0.0000000 10.0959035 0.0000000 -0.1273324 0.0000000 9.1059899 -------------------------- Born effective charges -------------------------- 1 Ag 0.7002912 -0.2197802 0.0076761 -0.1087937 1.0513454 -0.1873697 -0.0079949 -0.0366044 1.0672244 2 Ag 0.7002912 0.2197802 0.0076761 0.1087937 1.0513454 0.1873697 -0.0079949 0.0366044 1.0672244 3 Ag 1.0374784 -0.0075643 0.1130775 -0.2283165 1.0480967 -0.0478143 -0.0505787 0.1125324 0.8549733 4 Ag 1.0374784 -0.0075643 0.1130775 -0.2283165 1.0480967 -0.0478143 -0.0505787 0.1125324 0.8549733 5 Ag 0.9969527 -0.0720749 0.1676665 -0.1803987 0.8886846 -0.0101981 -0.0171877 -0.0839433 0.9207393 6 Ag 0.9969527 0.0720749 0.1676665 0.1803987 0.8886846 0.0101981 -0.0171877 0.0839433 0.9207393 7 Ag 0.7002912 -0.2197802 0.0076761 -0.1087937 1.0513454 -0.1873697 -0.0079949 -0.0366044 1.0672244 8 Ag 0.9969527 0.0720749 0.1676665 0.1803987 0.8886846 0.0101981 -0.0171877 0.0839433 0.9207393 9 Ag 1.0374784 0.0075643 0.1130775 0.2283165 1.0480967 0.0478143 -0.0505787 -0.1125324 0.8549733 10 Ag 0.9969527 -0.0720749 0.1676665 -0.1803987 0.8886846 -0.0101981 -0.0171877 -0.0839433 0.9207393 11 Ag 0.7002912 0.2197802 0.0076761 0.1087937 1.0513454 0.1873697 -0.0079949 0.0366044 1.0672244 12 Ag 1.0374784 0.0075643 0.1130775 0.2283165 1.0480967 0.0478143 -0.0505787 -0.1125324 0.8549733 13 As 2.4903774 -0.0736399 -0.2926650 0.3567587 2.5355269 -0.7852292 0.0698322 -0.5722309 1.0122219 14 As 2.4903774 0.0736399 -0.2926650 -0.3567587 2.5355269 0.7852292 0.0698322 0.5722309 1.0122219 15 As 2.4903774 0.0736399 -0.2926650 -0.3567587 2.5355269 0.7852292 0.0698322 0.5722309 1.0122219 16 As 2.4903774 -0.0736399 -0.2926650 0.3567587 2.5355269 -0.7852292 0.0698322 -0.5722309 1.0122219 17 S -0.9850243 -0.2798829 -0.1062891 -0.1941337 -2.7397591 0.1833273 -0.1170040 -0.1211070 -0.9052883 18 S -1.8267213 -0.4793534 0.8911745 -0.4858768 -1.5208534 0.5567272 0.5019435 0.2051633 -1.8131425 19 S -2.4133540 -0.4354784 -0.7806405 -0.4544702 -1.2630410 -0.3498351 -0.3790105 -0.1604975 -1.1367281 20 S -2.4133540 0.4354784 -0.7806405 0.4544702 -1.2630410 0.3498351 -0.3790105 0.1604975 -1.1367281 21 S -1.8267213 0.4793534 0.8911745 0.4858768 -1.5208534 -0.5567272 0.5019435 -0.2051633 -1.8131425 22 S -2.4133540 -0.4354784 -0.7806405 -0.4544702 -1.2630410 -0.3498351 -0.3790105 -0.1604975 -1.1367281 23 S -2.4133540 0.4354784 -0.7806405 0.4544702 -1.2630410 0.3498351 -0.3790105 0.1604975 -1.1367281 24 S -1.8267213 -0.4793534 0.8911745 -0.4858768 -1.5208534 0.5567272 0.5019435 0.2051633 -1.8131425 25 S -0.9850243 0.2798829 -0.1062891 0.1941337 -2.7397591 -0.1833273 -0.1170040 0.1211070 -0.9052883 26 S -0.9850243 0.2798829 -0.1062891 0.1941337 -2.7397591 -0.1833273 -0.1170040 0.1211070 -0.9052883 27 S -0.9850243 -0.2798829 -0.1062891 -0.1941337 -2.7397591 0.1833273 -0.1170040 -0.1211070 -0.9052883 28 S -1.8267213 0.4793534 0.8911745 0.4858768 -1.5208534 -0.5567272 0.5019435 -0.2051633 -1.8131425 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 3 ] 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: 0.50, Number of G-points: 297, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 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 0.541 ( 0.000 0.000 0.000) 0.000 0.594 ( 0.000 0.000 0.000) 0.000 0.609 ( 0.000 0.000 0.000) 0.000 0.740 ( 0.000 0.000 0.000) 0.000 0.854 ( 0.000 0.000 0.000) 0.000 0.901 ( 0.000 0.000 0.000) 0.000 0.904 ( 0.000 0.000 0.000) 0.000 0.905 ( 0.000 0.000 0.000) 0.000 1.016 ( 0.000 0.000 0.000) 0.000 1.039 ( 0.000 0.000 0.000) 0.000 1.048 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.383 ( 0.000 0.000 0.000) 0.000 1.491 ( 0.000 0.000 0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 6.896 ( 0.000 0.000 0.000) 0.000 6.902 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 7.211 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.289 ( 0.000 0.000 0.000) 0.000 7.856 ( 0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 7.967 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 8.612 ( 0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 8.737 ( 0.000 0.000 0.000) 0.000 8.765 ( 0.000 0.000 0.000) 0.000 9.181 ( 0.000 0.000 0.000) 0.000 9.239 ( 0.000 0.000 0.000) 0.000 9.400 ( 0.000 0.000 0.000) 0.000 9.437 ( 0.000 0.000 0.000) 0.000 9.459 ( 0.000 0.000 0.000) 0.000 9.479 ( 0.000 0.000 0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.622 ( 0.000 0.000 0.000) 0.000 10.406 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.659 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( 3.817 -9.285 4.642) 11.061 0.313 ( 6.047 -13.240 2.896) 14.841 0.575 ( -2.687 -3.497 -2.665) 5.153 0.624 ( 3.806 -4.356 2.267) 6.213 0.653 ( 6.310 -13.948 -0.167) 15.310 0.702 ( 7.926 -10.932 -0.440) 13.510 0.761 ( -1.867 -1.028 1.486) 2.598 0.861 ( -0.876 0.877 -2.540) 2.827 0.890 ( 2.925 -3.803 0.806) 4.865 0.937 ( -1.204 -1.999 0.760) 2.455 0.957 ( 0.889 -2.784 -1.677) 3.369 1.003 ( 2.922 0.081 -3.425) 4.503 1.038 ( 2.531 -0.144 1.916) 3.178 1.105 ( 3.100 -2.868 0.864) 4.310 1.191 ( -0.333 -2.248 0.040) 2.273 1.292 ( 0.752 0.768 0.099) 1.079 1.302 ( 0.235 -0.545 -0.369) 0.699 1.367 ( 0.666 1.829 0.984) 2.181 1.472 ( 0.017 2.474 0.278) 2.490 1.538 ( 0.567 0.393 -0.245) 0.732 1.669 ( -0.479 -0.109 -1.230) 1.325 1.726 ( 1.195 -1.698 0.459) 2.126 1.767 ( -1.070 0.392 -0.484) 1.238 1.866 ( 0.899 1.323 0.966) 1.869 1.943 ( 5.180 4.106 -1.347) 6.746 2.090 ( -1.895 -2.269 1.286) 3.224 2.157 ( -2.373 -4.186 -2.551) 5.447 2.159 ( 0.190 2.904 0.492) 2.951 2.249 ( -0.642 -3.074 0.912) 3.270 2.262 ( -3.788 0.710 -0.647) 3.907 2.336 ( 0.043 -2.006 0.596) 2.093 2.362 ( 4.304 -2.704 -0.550) 5.112 2.463 ( 0.225 -0.099 0.440) 0.504 2.516 ( -0.866 0.917 1.028) 1.628 2.585 ( -0.729 3.562 0.517) 3.672 2.722 ( -0.259 2.846 -0.847) 2.980 2.787 ( 0.387 -0.392 -0.835) 1.000 2.903 ( 1.509 -3.649 2.035) 4.442 3.073 ( -1.607 -2.248 -0.440) 2.797 3.100 ( -2.054 -4.521 0.036) 4.966 3.418 ( 1.691 -0.801 0.641) 1.978 3.687 ( -1.477 -0.688 3.172) 3.566 3.733 ( 0.661 2.948 -2.856) 4.157 3.921 ( -0.872 -6.827 -0.466) 6.899 3.977 ( 0.188 -1.169 -0.651) 1.351 4.185 ( 0.317 -3.847 -0.407) 3.881 4.261 ( 0.226 -1.730 0.970) 1.996 4.377 ( -0.456 -3.154 0.155) 3.191 5.862 ( 0.541 0.934 0.279) 1.115 5.951 ( -4.778 -0.611 -1.461) 5.034 6.080 ( 1.325 2.488 -0.226) 2.828 6.106 ( 0.864 2.609 0.213) 2.757 6.799 ( -2.332 1.071 0.474) 2.609 6.872 ( 0.457 1.268 -1.910) 2.338 6.890 ( -0.297 1.288 1.272) 1.835 6.952 ( 1.876 0.328 -0.056) 1.906 7.232 ( 0.772 -0.256 0.528) 0.970 7.271 ( -0.962 -1.420 -0.098) 1.717 7.305 ( 2.442 -1.202 -0.533) 2.773 7.472 ( -1.175 -1.582 -1.371) 2.400 7.856 ( -0.384 -0.234 -0.017) 0.450 7.898 ( -0.222 -1.166 0.405) 1.254 7.993 ( -0.055 0.452 -0.278) 0.533 8.008 ( -2.729 -0.070 -0.828) 2.853 8.250 ( 0.003 0.966 2.812) 2.974 8.316 ( -0.697 1.503 0.132) 1.662 8.390 ( -1.652 -1.559 -0.179) 2.278 8.454 ( -0.714 0.364 0.291) 0.852 8.618 ( 0.200 0.180 -0.898) 0.938 8.675 ( -2.095 0.860 0.132) 2.269 8.724 ( -0.569 1.108 0.165) 1.256 8.757 ( -0.370 0.779 -0.136) 0.873 9.188 ( 1.698 0.003 0.188) 1.708 9.287 ( 6.821 3.675 -0.315) 7.755 9.410 ( -0.432 -1.020 -0.050) 1.109 9.456 ( 0.376 -1.584 0.606) 1.737 9.490 ( -0.803 -2.505 1.179) 2.883 9.521 ( 3.054 -0.542 -1.103) 3.292 9.601 ( 4.447 -0.550 -1.324) 4.673 9.907 ( -0.861 -0.404 -9.260) 9.308 10.419 ( -0.436 0.423 4.479) 4.520 10.496 ( -0.258 -0.413 -0.195) 0.525 10.654 ( -0.986 0.065 -0.139) 0.998 10.766 ( -2.110 0.419 -0.035) 2.151 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 3.582 -5.804 4.503) 8.172 0.509 ( 1.375 0.188 0.681) 1.546 0.610 ( -1.605 -4.520 -0.038) 4.797 0.681 ( 4.360 -0.712 2.404) 5.029 0.744 ( -2.646 -1.351 -0.032) 2.971 0.754 ( -2.132 -3.795 2.855) 5.206 0.801 ( 0.116 2.115 -1.783) 2.769 0.913 ( 1.376 -2.384 -1.469) 3.120 0.953 ( -0.565 0.287 -2.027) 2.124 0.962 ( 3.418 -1.375 -1.904) 4.147 1.059 ( 0.398 -5.110 -0.373) 5.139 1.082 ( 3.437 -5.304 1.144) 6.423 1.173 ( 1.556 -3.310 -0.113) 3.659 1.190 ( 2.053 -1.285 -0.754) 2.536 1.235 ( 3.256 -2.822 -0.198) 4.313 1.293 ( 1.752 0.311 -1.376) 2.250 1.328 ( 0.685 -0.507 2.268) 2.423 1.410 ( -1.197 2.661 -0.647) 2.989 1.455 ( 3.436 -10.256 2.684) 11.144 1.543 ( 2.006 -0.456 -2.215) 3.023 1.645 ( -1.346 -0.772 -2.182) 2.678 1.735 ( 3.198 -0.977 0.726) 3.422 1.818 ( 2.943 -1.685 1.352) 3.650 1.855 ( 2.477 0.870 1.509) 3.029 1.978 ( -1.754 -1.506 -1.810) 2.936 2.049 ( -2.675 3.087 -0.743) 4.152 2.093 ( 0.760 1.244 2.655) 3.029 2.176 ( 3.447 3.313 -1.669) 5.064 2.272 ( -4.809 -3.510 1.862) 6.238 2.291 ( 2.678 0.129 -1.944) 3.311 2.352 ( 1.161 0.429 -1.527) 1.966 2.381 ( -3.586 -2.680 0.737) 4.538 2.464 ( -0.397 0.497 -0.621) 0.889 2.539 ( -1.117 0.325 2.458) 2.720 2.591 ( 4.254 -6.585 -0.917) 7.893 2.682 ( -0.850 1.252 0.467) 1.583 2.810 ( 1.767 -1.418 -2.056) 3.059 2.989 ( 0.320 -3.516 3.266) 4.810 3.103 ( 0.688 -2.489 -1.990) 3.260 3.171 ( -1.468 -5.044 1.337) 5.420 3.454 ( 1.061 -1.789 -0.558) 2.153 3.673 ( -3.353 1.052 3.188) 4.745 3.726 ( 1.456 -1.851 -2.643) 3.540 3.964 ( -1.850 0.263 0.551) 1.948 4.051 ( -0.166 -7.216 -2.223) 7.552 4.270 ( 0.635 -4.928 -1.267) 5.128 4.334 ( 0.757 -5.143 2.932) 5.968 4.429 ( -1.307 -3.491 -0.639) 3.782 5.835 ( -0.187 2.700 0.161) 2.712 5.900 ( -1.877 2.237 -0.326) 2.938 6.003 ( 0.281 5.894 -0.398) 5.914 6.066 ( 1.144 3.945 0.182) 4.112 6.727 ( -3.043 3.292 0.198) 4.488 6.846 ( -2.178 0.500 -0.313) 2.256 6.899 ( 4.302 0.158 0.226) 4.310 6.973 ( 2.976 -0.034 -0.064) 2.977 7.241 ( -0.271 -0.340 0.166) 0.465 7.274 ( -3.600 -1.515 -0.425) 3.929 7.370 ( 4.361 -2.017 -0.041) 4.805 7.494 ( 1.985 -0.798 -0.542) 2.206 7.855 ( -0.673 -0.226 0.027) 0.710 7.912 ( -1.261 -0.702 0.384) 1.493 7.973 ( -0.234 1.892 -0.081) 1.908 7.984 ( 0.338 0.429 -0.615) 0.823 8.242 ( 0.554 1.289 2.390) 2.771 8.288 ( -1.089 0.663 0.154) 1.285 8.390 ( -1.891 -0.477 -0.332) 1.978 8.437 ( -1.282 0.418 -1.199) 1.804 8.593 ( -1.155 1.169 -0.816) 1.834 8.650 ( 0.026 1.366 1.386) 1.946 8.692 ( -0.922 1.588 -0.287) 1.859 8.730 ( -0.714 1.501 -0.355) 1.699 9.221 ( 3.211 -1.194 0.020) 3.426 9.289 ( 3.515 1.519 0.241) 3.837 9.424 ( -0.559 -1.236 -0.493) 1.444 9.493 ( 0.522 -1.686 0.507) 1.836 9.527 ( -2.150 -2.531 1.692) 3.727 9.587 ( 2.158 -3.728 -0.332) 4.320 9.654 ( 5.670 -0.171 -0.636) 5.708 9.869 ( -0.643 0.853 -4.095) 4.232 10.421 ( -0.775 0.105 1.948) 2.099 10.498 ( -0.416 -0.305 -0.548) 0.752 10.637 ( -1.560 0.442 0.003) 1.621 10.732 ( -2.438 0.855 0.057) 2.584 ======================= Grid point 3 (4/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -0.122 2.418 0.567) 2.487 0.491 ( 2.559 2.214 1.869) 3.866 0.624 ( -3.510 2.054 1.860) 4.472 0.691 ( 0.729 -0.922 1.932) 2.262 0.732 ( -1.223 -0.426 -1.508) 1.988 0.785 ( 1.406 0.656 -0.389) 1.599 0.878 ( 1.005 -4.376 2.017) 4.922 0.920 ( 1.203 0.281 -0.445) 1.313 0.962 ( -1.252 -1.956 -1.051) 2.549 1.009 ( 0.366 -1.994 -0.007) 2.027 1.097 ( -2.204 -1.583 -0.055) 2.714 1.140 ( 2.092 1.538 -0.152) 2.601 1.207 ( 0.318 -1.537 -1.438) 2.129 1.232 ( 1.911 1.341 -2.046) 3.105 1.241 ( -1.273 -0.091 0.441) 1.351 1.325 ( 0.683 0.388 0.292) 0.838 1.370 ( 2.403 -6.050 -0.013) 6.510 1.397 ( 1.938 0.790 1.518) 2.585 1.541 ( -1.037 -0.245 0.056) 1.067 1.590 ( 1.902 -4.341 -2.174) 5.214 1.738 ( -0.453 -6.909 0.873) 6.979 1.754 ( -1.154 0.966 0.486) 1.581 1.866 ( -6.597 2.255 -1.085) 7.055 1.920 ( 6.204 -1.339 0.184) 6.349 1.929 ( 4.728 -1.744 1.802) 5.352 2.025 ( -1.376 -0.505 0.265) 1.489 2.110 ( 2.804 2.681 -0.329) 3.894 2.139 ( 3.802 1.444 -1.734) 4.421 2.213 ( 1.221 3.381 -0.023) 3.595 2.312 ( 1.823 0.198 2.284) 2.929 2.397 ( -1.271 -2.644 -0.947) 3.082 2.431 ( 0.056 -4.436 -2.109) 4.913 2.464 ( -2.411 -2.780 0.092) 3.681 2.544 ( -1.227 -0.432 2.495) 2.814 2.658 ( -0.428 0.439 -0.181) 0.639 2.736 ( 2.020 -4.547 -0.318) 4.986 2.852 ( 3.721 -2.362 -3.731) 5.775 3.028 ( -3.377 -1.059 4.376) 5.628 3.176 ( 4.559 -3.307 -2.362) 6.107 3.249 ( -2.059 -4.348 2.733) 5.533 3.504 ( 2.387 -2.589 -0.952) 3.648 3.634 ( -3.630 0.508 1.214) 3.861 3.769 ( 0.492 -2.324 -1.152) 2.640 3.919 ( -1.930 2.465 -0.812) 3.234 4.167 ( -0.985 -6.634 -0.305) 6.714 4.354 ( 0.780 -3.952 -0.356) 4.044 4.445 ( 0.545 -4.641 2.252) 5.187 4.466 ( -1.420 -2.638 -1.317) 3.273 5.771 ( -1.166 3.342 -0.001) 3.540 5.840 ( -1.060 2.656 -0.262) 2.871 5.906 ( 0.857 5.232 0.539) 5.329 5.987 ( 0.213 5.347 -0.369) 5.364 6.652 ( -1.972 2.308 -0.007) 3.036 6.824 ( -1.281 -0.006 0.101) 1.285 6.945 ( 3.645 -0.613 0.063) 3.697 7.004 ( 3.176 -0.091 -0.050) 3.177 7.240 ( -0.278 0.323 -0.019) 0.427 7.258 ( -3.818 -1.050 -0.204) 3.965 7.444 ( 3.834 -1.804 0.052) 4.237 7.523 ( 1.762 -0.345 -0.193) 1.806 7.853 ( -0.696 -0.245 0.011) 0.738 7.897 ( -0.858 1.001 0.255) 1.343 7.950 ( 0.015 0.711 0.260) 0.758 7.980 ( 0.645 0.368 -0.628) 0.972 8.229 ( 0.548 1.525 1.091) 1.954 8.275 ( -0.780 0.036 0.754) 1.085 8.373 ( -1.842 -0.040 -0.600) 1.938 8.416 ( -0.843 -0.010 -1.466) 1.691 8.566 ( -0.934 0.580 0.071) 1.102 8.627 ( -0.869 1.696 1.769) 2.600 8.655 ( -0.255 1.404 -1.094) 1.798 8.696 ( -0.678 1.320 -0.235) 1.503 9.284 ( 3.349 -1.772 -0.962) 3.909 9.305 ( 3.032 -0.023 1.230) 3.272 9.436 ( -0.272 -0.499 -0.336) 0.660 9.522 ( -0.568 -1.360 0.158) 1.482 9.554 ( -1.607 -1.963 1.355) 2.876 9.663 ( 0.386 -3.364 -0.264) 3.397 9.699 ( 4.745 0.794 -0.246) 4.817 9.847 ( 0.059 -0.018 -1.760) 1.761 10.414 ( -0.744 0.254 0.824) 1.139 10.496 ( -0.459 -0.098 -0.413) 0.625 10.614 ( -1.296 0.403 -0.063) 1.359 10.692 ( -2.261 1.098 0.142) 2.518 ======================= Grid point 4 (5/70) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 0.537 0.859 0.079) 1.016 0.472 ( 2.013 0.680 0.740) 2.250 0.536 ( -3.260 3.528 1.002) 4.907 0.714 ( 0.687 0.060 -0.263) 0.738 0.744 ( -0.145 -1.707 -0.916) 1.943 0.790 ( 0.326 -0.291 -0.441) 0.621 0.872 ( -1.293 2.080 2.237) 3.317 0.951 ( 1.628 -0.399 -0.506) 1.751 0.986 ( -0.619 -1.354 0.991) 1.788 1.039 ( -0.459 -1.487 0.993) 1.846 1.108 ( 0.636 0.599 -0.689) 1.113 1.147 ( 0.208 -1.573 -0.545) 1.678 1.159 ( -2.355 1.308 -1.380) 3.027 1.197 ( 0.528 1.279 -2.047) 2.471 1.287 ( 1.060 -1.821 2.561) 3.316 1.333 ( 0.138 -0.161 0.305) 0.371 1.358 ( -0.582 3.203 -1.027) 3.413 1.524 ( 2.870 -5.659 0.174) 6.348 1.553 ( 0.088 -2.377 -0.507) 2.432 1.655 ( 0.121 -1.106 -0.417) 1.188 1.713 ( -1.997 2.366 0.492) 3.135 1.768 ( -0.367 1.857 0.462) 1.948 1.853 ( -0.131 -0.072 -0.257) 0.298 1.905 ( -3.411 -4.515 1.479) 5.848 1.988 ( 3.778 2.532 -0.867) 4.630 2.046 ( 1.415 1.762 -0.853) 2.415 2.085 ( 1.497 -1.418 -0.228) 2.074 2.134 ( 1.060 2.010 0.675) 2.370 2.230 ( 0.751 -1.481 -1.159) 2.026 2.331 ( 2.101 0.400 1.395) 2.553 2.428 ( -0.466 -2.420 1.723) 3.007 2.471 ( -0.335 -0.635 -3.904) 3.970 2.500 ( -2.529 -3.335 -1.239) 4.365 2.529 ( -0.446 2.152 3.382) 4.033 2.683 ( 3.001 -2.234 -1.144) 3.912 2.749 ( -2.068 1.886 1.503) 3.177 2.944 ( 5.035 -3.499 -5.482) 8.225 3.009 ( -4.045 0.865 4.571) 6.165 3.255 ( 2.996 -1.620 -0.877) 3.517 3.288 ( -2.142 -1.314 1.945) 3.178 3.574 ( 3.777 -1.054 -0.180) 3.925 3.603 ( -3.570 -1.147 0.114) 3.751 3.793 ( -0.368 -0.419 -0.837) 1.006 3.858 ( -0.906 1.628 -0.243) 1.879 4.247 ( -0.462 -2.779 0.105) 2.819 4.406 ( 0.313 -1.246 0.024) 1.285 4.485 ( -0.775 -1.338 -0.129) 1.552 4.512 ( 0.324 -1.598 0.243) 1.648 5.716 ( -0.647 1.459 -0.022) 1.596 5.800 ( -0.487 0.774 -0.036) 0.915 5.850 ( 0.671 1.999 0.316) 2.132 5.905 ( -0.164 3.011 -0.269) 3.027 6.613 ( -0.631 0.742 -0.015) 0.974 6.819 ( -0.387 -0.100 0.056) 0.404 6.978 ( 1.136 -0.342 0.048) 1.187 7.031 ( 1.840 -0.064 -0.040) 1.842 7.223 ( -0.947 0.344 -0.109) 1.013 7.249 ( -0.988 -0.407 0.046) 1.070 7.499 ( 2.093 -1.105 0.040) 2.367 7.530 ( 0.034 0.445 -0.092) 0.455 7.851 ( -0.370 -0.157 -0.022) 0.403 7.878 ( -0.009 0.577 0.152) 0.597 7.943 ( -0.168 0.068 0.131) 0.224 7.978 ( 0.337 0.168 -0.267) 0.462 8.212 ( 0.087 0.704 0.176) 0.731 8.274 ( -0.023 0.016 0.422) 0.423 8.360 ( -0.786 -0.144 -0.357) 0.875 8.410 ( -0.283 -0.140 -0.396) 0.506 8.559 ( 0.036 -0.427 0.057) 0.432 8.588 ( -1.157 1.575 0.458) 2.007 8.637 ( 0.147 0.467 -0.316) 0.583 8.675 ( -0.287 0.461 0.005) 0.543 9.310 ( 0.996 -0.040 -0.061) 0.998 9.367 ( 2.965 -1.962 -0.033) 3.556 9.426 ( -1.116 0.883 0.174) 1.433 9.533 ( -0.737 -0.629 0.042) 0.970 9.572 ( -0.428 -0.699 0.488) 0.954 9.706 ( -0.982 -1.802 0.105) 2.055 9.715 ( 2.633 1.018 -0.589) 2.884 9.850 ( 0.231 -0.205 -0.268) 0.409 10.409 ( -0.171 0.039 0.130) 0.218 10.490 ( -0.398 0.148 0.056) 0.429 10.605 ( -0.178 -0.212 -0.323) 0.426 10.657 ( -1.207 0.854 0.242) 1.498 ======================= Grid point 10 (6/70) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.195 ( 9.269 -0.000 5.608) 10.833 0.314 ( 14.640 -0.000 1.646) 14.732 0.550 ( 5.196 -0.000 -3.768) 6.418 0.641 ( 3.790 -0.000 3.641) 5.256 0.655 ( 26.628 -0.000 3.243) 26.825 0.658 ( 4.207 -0.000 -0.761) 4.275 0.766 ( 0.819 -0.000 3.411) 3.508 0.870 ( 1.532 -0.000 -5.897) 6.092 0.904 ( 0.050 -0.000 1.396) 1.397 0.906 ( 2.236 -0.000 1.862) 2.910 0.939 ( 3.395 -0.000 -1.443) 3.688 1.032 ( 4.882 -0.000 -2.112) 5.319 1.100 ( 5.776 -0.000 0.193) 5.779 1.109 ( 3.335 -0.000 1.934) 3.855 1.169 ( 0.009 -0.000 0.343) 0.343 1.295 ( 0.450 -0.000 -2.403) 2.445 1.307 ( 0.615 -0.000 1.786) 1.889 1.388 ( -0.120 0.000 0.281) 0.305 1.508 ( 2.193 -0.000 -2.491) 3.319 1.545 ( -1.230 0.000 3.749) 3.945 1.661 ( 0.611 -0.000 -0.821) 1.024 1.723 ( 2.184 -0.000 0.749) 2.308 1.765 ( -2.099 0.000 -1.017) 2.333 1.876 ( 3.542 -0.000 -7.236) 8.057 1.972 ( -3.610 0.000 0.858) 3.710 2.048 ( -1.745 0.000 2.028) 2.675 2.145 ( -1.607 0.000 -2.516) 2.985 2.187 ( -0.329 0.000 3.396) 3.412 2.217 ( -0.493 0.000 -1.181) 1.280 2.260 ( 1.616 -0.000 -1.992) 2.565 2.325 ( 2.057 -0.000 3.169) 3.778 2.354 ( 2.378 -0.000 0.777) 2.501 2.465 ( -0.244 0.000 -0.644) 0.689 2.516 ( -2.438 0.000 3.021) 3.882 2.620 ( -0.631 0.000 -0.747) 0.978 2.734 ( -1.836 0.000 -0.754) 1.984 2.780 ( -0.403 0.000 -1.347) 1.406 2.901 ( 2.979 -0.000 2.696) 4.018 2.997 ( 0.472 -0.000 -0.141) 0.492 3.051 ( -1.386 0.000 0.359) 1.431 3.439 ( -0.902 0.000 1.426) 1.687 3.681 ( -1.594 0.000 4.410) 4.689 3.784 ( 0.450 -0.000 -5.527) 5.545 3.819 ( -0.476 0.000 0.074) 0.482 3.970 ( 1.060 -0.000 -0.002) 1.060 4.155 ( 0.876 -0.000 -0.108) 0.883 4.246 ( -0.471 0.000 -0.013) 0.471 4.345 ( -1.093 0.000 1.034) 1.504 5.882 ( 1.451 -0.000 0.472) 1.526 5.882 ( 1.192 -0.000 -0.404) 1.258 6.115 ( 1.356 -0.000 0.668) 1.512 6.131 ( 0.532 -0.000 -1.051) 1.178 6.785 ( -0.833 0.000 1.047) 1.338 6.880 ( -1.272 0.000 -2.395) 2.712 6.910 ( 0.246 -0.000 1.587) 1.606 6.973 ( 1.938 -0.000 -0.218) 1.950 7.240 ( -0.851 0.000 -0.116) 0.859 7.252 ( 0.292 -0.000 -1.467) 1.495 7.357 ( 3.466 -0.000 -0.843) 3.567 7.384 ( 1.447 -0.000 1.160) 1.855 7.848 ( -0.825 0.000 0.045) 0.826 7.890 ( 0.020 -0.000 1.068) 1.068 7.970 ( 0.279 -0.000 -0.137) 0.311 7.993 ( -0.397 0.000 -0.492) 0.633 8.264 ( -0.791 0.000 3.054) 3.155 8.309 ( -1.172 0.000 -0.935) 1.499 8.383 ( 0.130 -0.000 1.319) 1.325 8.446 ( -1.424 0.000 -0.236) 1.443 8.619 ( -0.064 0.000 -1.048) 1.050 8.669 ( 0.205 -0.000 1.416) 1.431 8.728 ( -0.756 0.000 -0.354) 0.834 8.759 ( -0.558 0.000 -0.233) 0.605 9.210 ( 2.445 -0.000 0.509) 2.498 9.385 ( -1.164 0.000 1.995) 2.309 9.402 ( 0.874 -0.000 -2.141) 2.313 9.433 ( -0.787 0.000 0.169) 0.805 9.477 ( 1.866 -0.000 -0.488) 1.928 9.535 ( -2.682 0.000 -0.739) 2.782 9.654 ( 3.199 -0.000 1.733) 3.638 9.858 ( 11.893 -0.000 -21.737) 24.778 10.439 ( -3.657 0.000 7.327) 8.189 10.488 ( -0.437 0.000 -0.306) 0.533 10.639 ( -1.939 0.000 -0.406) 1.981 10.740 ( -2.559 0.000 0.470) 2.602 ======================= Grid point 11 (7/70) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 7.729 -5.757 6.266) 11.496 0.516 ( 9.965 -6.083 1.781) 11.810 0.574 ( 3.585 -0.196 -1.473) 3.880 0.678 ( 3.570 -1.398 0.453) 3.860 0.695 ( -2.212 -0.170 0.133) 2.223 0.749 ( -0.700 2.437 2.864) 3.825 0.838 ( 1.004 1.226 -3.433) 3.781 0.906 ( 6.345 0.740 -0.068) 6.389 0.958 ( 1.193 -2.796 0.415) 3.068 0.983 ( 5.422 -1.958 0.567) 5.792 1.006 ( 7.176 -0.743 -1.173) 7.309 1.072 ( 5.279 -1.154 -0.884) 5.476 1.132 ( 6.239 -2.906 1.056) 6.964 1.188 ( 0.947 -1.644 1.025) 2.156 1.211 ( 5.072 -2.997 -0.164) 5.893 1.308 ( 1.406 -1.153 -0.926) 2.040 1.325 ( 1.972 -0.487 0.746) 2.164 1.400 ( 2.364 -1.740 2.112) 3.616 1.475 ( 0.018 4.605 -0.431) 4.625 1.541 ( 0.201 -0.194 -1.186) 1.219 1.655 ( 0.379 1.677 -1.807) 2.494 1.746 ( 3.181 -1.166 -0.799) 3.481 1.778 ( -0.772 -3.228 2.119) 3.937 1.911 ( 4.753 1.294 -0.980) 5.023 1.948 ( -2.260 -1.949 -3.445) 4.558 2.066 ( -2.548 -0.603 -0.015) 2.618 2.103 ( -8.000 -1.376 1.664) 8.286 2.125 ( 0.507 1.128 -0.822) 1.485 2.240 ( 0.590 -1.822 1.292) 2.310 2.278 ( 5.526 1.048 -2.095) 6.002 2.351 ( 0.554 0.075 1.923) 2.003 2.393 ( 0.494 0.584 -1.050) 1.299 2.464 ( -1.383 0.323 -0.416) 1.480 2.527 ( 1.432 -3.815 2.784) 4.935 2.578 ( 0.078 2.777 0.872) 2.912 2.715 ( -0.051 1.612 -0.585) 1.716 2.783 ( 0.733 -1.829 -2.824) 3.444 2.949 ( -0.116 -1.941 3.542) 4.041 3.052 ( 1.376 -3.548 -1.179) 3.983 3.072 ( -1.552 -4.082 0.955) 4.470 3.437 ( 0.138 -0.628 -0.042) 0.644 3.682 ( -2.687 0.931 6.497) 7.092 3.721 ( 1.445 1.560 -5.710) 6.093 3.889 ( -2.566 -5.832 1.347) 6.512 3.987 ( 2.266 -0.517 -3.663) 4.338 4.201 ( 1.857 -3.523 -0.249) 3.990 4.266 ( -0.895 -3.302 0.970) 3.556 4.361 ( -1.222 -2.382 0.631) 2.750 5.877 ( 0.789 1.715 -0.309) 1.913 5.909 ( 0.407 -0.037 0.166) 0.441 6.093 ( 0.872 3.727 -0.529) 3.864 6.127 ( 1.084 1.661 0.279) 2.003 6.763 ( -1.545 2.553 0.771) 3.082 6.844 ( -0.734 0.917 -1.364) 1.800 6.922 ( 1.210 -0.406 1.312) 1.830 6.989 ( 1.497 -0.393 -0.608) 1.663 7.236 ( -0.017 0.082 -0.226) 0.241 7.253 ( 0.964 0.281 -0.475) 1.111 7.372 ( 2.972 -1.191 -0.232) 3.210 7.463 ( 0.219 -3.653 -0.247) 3.668 7.842 ( -1.067 -0.323 0.049) 1.116 7.897 ( -0.374 -0.273 0.953) 1.059 7.979 ( -0.388 -0.394 -0.467) 0.724 7.985 ( -0.446 0.043 -0.578) 0.732 8.266 ( -0.015 0.432 2.497) 2.535 8.292 ( -1.286 0.497 -0.479) 1.459 8.380 ( -0.142 0.665 1.061) 1.260 8.426 ( -1.455 0.379 -1.189) 1.917 8.603 ( -0.327 1.214 -1.347) 1.843 8.672 ( 0.024 0.593 1.936) 2.025 8.707 ( -0.951 1.214 -0.581) 1.648 8.743 ( -0.959 0.953 -0.378) 1.403 9.239 ( 2.873 -0.380 0.362) 2.921 9.352 ( 0.660 2.185 0.781) 2.413 9.400 ( 0.056 -0.610 -1.909) 2.005 9.455 ( -1.678 -2.430 0.806) 3.061 9.497 ( 1.388 -0.717 0.883) 1.795 9.537 ( -0.294 -2.613 -0.175) 2.635 9.713 ( 5.861 -0.663 1.540) 6.096 9.881 ( 5.734 1.362 -10.032) 11.636 10.422 ( -2.312 0.431 3.711) 4.393 10.484 ( -0.680 -0.309 -0.572) 0.940 10.618 ( -2.472 -0.220 -0.358) 2.508 10.712 ( -3.390 0.201 0.402) 3.420 ======================= Grid point 12 (8/70) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 3.673 -0.100 2.760) 4.596 0.558 ( 3.955 2.585 1.110) 4.854 0.647 ( 2.869 1.268 0.140) 3.140 0.691 ( -0.532 -1.823 -0.536) 1.973 0.707 ( -1.538 0.104 3.084) 3.447 0.769 ( 1.298 -2.560 0.462) 2.907 0.868 ( 5.306 -2.357 1.344) 5.960 0.917 ( 0.323 -0.088 -1.472) 1.510 0.953 ( 1.367 2.605 -1.287) 3.211 1.007 ( 2.402 0.160 0.011) 2.407 1.049 ( -0.983 -1.298 -0.111) 1.632 1.155 ( 2.162 -2.983 0.038) 3.684 1.215 ( 3.530 1.647 2.095) 4.422 1.225 ( 3.783 -1.795 -1.970) 4.627 1.291 ( -1.580 2.087 -0.332) 2.638 1.321 ( 3.127 -0.295 0.027) 3.141 1.349 ( 1.524 -0.670 0.192) 1.676 1.420 ( 2.661 -0.859 0.095) 2.797 1.503 ( 0.725 -3.226 -1.840) 3.784 1.571 ( 2.174 -2.391 0.167) 3.236 1.619 ( -0.089 -0.360 -1.213) 1.268 1.754 ( -2.651 0.752 0.341) 2.777 1.867 ( -0.916 0.232 -0.832) 1.259 1.913 ( 1.607 -1.883 -0.054) 2.476 1.968 ( 6.400 -1.197 -0.179) 6.514 2.014 ( -1.425 1.478 1.893) 2.793 2.123 ( -5.592 -6.212 0.507) 8.374 2.164 ( -0.015 -1.785 -0.159) 1.792 2.236 ( 1.178 3.720 -2.762) 4.781 2.300 ( -0.864 -2.568 -1.929) 3.326 2.321 ( -0.006 1.184 0.413) 1.254 2.418 ( 0.509 0.230 1.387) 1.495 2.459 ( 3.957 -1.231 0.341) 4.159 2.555 ( 0.382 1.139 4.598) 4.752 2.645 ( 1.423 -3.356 -2.119) 4.216 2.686 ( 2.403 -0.952 -0.614) 2.657 2.831 ( 2.767 -2.390 -3.457) 5.032 2.978 ( -3.916 -2.172 3.726) 5.826 3.141 ( 2.888 -4.131 -0.696) 5.088 3.153 ( -0.482 -5.430 1.522) 5.660 3.466 ( 0.616 -2.513 -0.744) 2.692 3.630 ( -2.776 2.003 0.867) 3.531 3.736 ( 1.050 -1.584 -0.411) 1.944 3.932 ( -2.018 0.544 1.638) 2.655 4.036 ( 0.924 -6.325 -3.700) 7.386 4.293 ( 2.168 -4.343 0.150) 4.856 4.352 ( -0.751 -6.304 0.529) 6.371 4.396 ( -1.584 -2.748 0.582) 3.225 5.830 ( 0.073 3.753 0.003) 3.754 5.884 ( -0.185 2.838 -0.210) 2.852 6.014 ( 0.846 5.605 0.334) 5.678 6.077 ( 0.100 4.712 -0.249) 4.720 6.694 ( -0.541 3.448 -0.022) 3.490 6.826 ( 0.198 0.657 0.154) 0.703 6.956 ( 1.705 -1.148 0.540) 2.125 7.011 ( 0.655 -1.065 -0.654) 1.411 7.232 ( 0.213 0.429 -0.295) 0.562 7.253 ( 1.083 0.584 0.144) 1.239 7.433 ( 2.010 -2.589 -0.215) 3.284 7.511 ( -0.392 -1.957 -0.105) 1.999 7.840 ( -0.973 -0.477 0.090) 1.088 7.895 ( -0.901 0.084 0.674) 1.128 7.969 ( -0.125 0.904 -0.713) 1.158 7.983 ( -0.097 -0.234 -0.414) 0.485 8.263 ( -0.419 1.575 0.950) 1.886 8.271 ( -0.290 -0.000 1.549) 1.576 8.365 ( -0.666 0.764 0.252) 1.044 8.404 ( -0.592 0.181 -1.752) 1.858 8.572 ( -0.429 1.188 -0.842) 1.518 8.654 ( -1.297 1.762 2.016) 2.975 8.674 ( -0.088 1.327 -0.910) 1.611 8.709 ( -1.319 1.347 -0.402) 1.928 9.284 ( 3.190 -1.440 -0.233) 3.508 9.338 ( 0.713 0.683 1.058) 1.447 9.414 ( -0.219 -1.402 -1.301) 1.926 9.481 ( -1.191 -1.918 0.579) 2.330 9.535 ( 1.641 -1.226 0.978) 2.270 9.596 ( -0.505 -4.009 0.141) 4.043 9.775 ( 5.865 0.993 1.164) 6.061 9.864 ( 3.616 1.860 -4.635) 6.165 10.408 ( -1.982 -0.002 1.802) 2.679 10.481 ( -0.867 -0.458 -0.791) 1.260 10.598 ( -2.452 -0.223 -0.076) 2.463 10.677 ( -3.208 0.276 0.234) 3.228 ======================= Grid point 13 (9/70) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 1.315 3.603 -0.129) 3.838 0.537 ( 2.841 3.371 0.492) 4.436 0.604 ( 0.056 4.716 1.548) 4.964 0.710 ( 0.106 -0.904 -0.918) 1.293 0.744 ( 3.883 0.285 0.056) 3.894 0.788 ( 0.100 -0.489 2.049) 2.108 0.896 ( -1.046 0.608 1.532) 1.952 0.947 ( -0.083 -0.505 -0.263) 0.576 0.957 ( 0.942 -1.626 0.794) 2.040 1.038 ( 2.347 -0.490 1.443) 2.798 1.075 ( 0.527 -3.038 -0.252) 3.094 1.171 ( -2.991 4.162 -0.767) 5.182 1.182 ( 2.567 2.914 -2.391) 4.560 1.213 ( 0.441 -0.188 0.145) 0.501 1.288 ( 3.527 -0.778 -1.067) 3.766 1.343 ( 1.455 0.316 -0.462) 1.559 1.410 ( 2.031 -0.318 -0.382) 2.091 1.455 ( 2.815 -1.584 0.780) 3.323 1.546 ( 0.420 -1.255 2.283) 2.639 1.606 ( 2.383 -3.068 -3.610) 5.303 1.712 ( -1.653 -0.448 0.499) 1.784 1.716 ( -4.075 -6.738 0.722) 7.907 1.812 ( 0.951 2.040 0.888) 2.419 1.897 ( -4.917 2.675 -1.134) 5.711 1.996 ( -0.216 -1.773 -0.788) 1.952 2.085 ( 2.794 0.673 0.774) 2.977 2.115 ( -0.843 0.999 -0.080) 1.310 2.160 ( -1.699 2.143 2.011) 3.395 2.207 ( 0.052 -1.248 -3.288) 3.517 2.324 ( -2.511 -5.253 -3.279) 6.682 2.355 ( -0.687 -3.248 1.320) 3.573 2.451 ( 4.646 -1.044 0.719) 4.816 2.495 ( 3.973 2.732 -0.359) 4.834 2.560 ( -0.661 0.704 4.349) 4.455 2.660 ( 0.841 -2.212 0.018) 2.367 2.761 ( 0.581 -0.393 -0.257) 0.747 2.905 ( 5.487 -4.023 -5.682) 8.864 2.983 ( -4.009 -1.231 3.359) 5.373 3.220 ( -2.063 -3.661 2.897) 5.104 3.249 ( 2.856 -3.150 -0.460) 4.277 3.530 ( -0.182 -3.660 -0.434) 3.690 3.589 ( -0.753 -0.079 0.264) 0.802 3.772 ( 0.495 -1.447 -0.450) 1.594 3.882 ( -0.981 2.502 -1.120) 2.911 4.162 ( 1.015 -6.660 -0.258) 6.741 4.380 ( 1.529 -2.833 0.702) 3.295 4.425 ( -1.634 -3.508 -0.964) 3.988 4.456 ( -0.610 -4.620 0.921) 4.750 5.760 ( 0.036 3.806 0.202) 3.812 5.825 ( -0.222 2.576 -0.512) 2.636 5.925 ( 0.404 5.247 0.864) 5.333 5.976 ( -0.754 5.507 -0.562) 5.587 6.645 ( 1.251 2.343 -0.101) 2.658 6.826 ( 1.201 0.352 0.357) 1.301 6.985 ( 0.652 -0.358 0.156) 0.759 7.024 ( -1.070 -0.616 -0.462) 1.318 7.226 ( 0.620 0.540 -0.174) 0.840 7.259 ( 2.169 0.378 0.144) 2.207 7.485 ( 0.355 -1.877 -0.074) 1.912 7.521 ( -2.025 -0.553 -0.017) 2.099 7.841 ( -0.634 -0.473 0.117) 0.800 7.887 ( -0.417 0.202 0.275) 0.539 7.945 ( -0.497 1.050 -0.284) 1.196 7.987 ( 0.434 -0.146 -0.240) 0.517 8.228 ( -0.715 1.521 -0.117) 1.685 8.277 ( 0.180 0.092 0.924) 0.946 8.357 ( 0.303 -0.017 0.835) 0.889 8.398 ( -0.203 -0.412 -1.200) 1.285 8.555 ( -0.018 0.100 -0.467) 0.478 8.611 ( -1.114 1.987 0.481) 2.328 8.650 ( -0.228 1.086 0.062) 1.111 8.677 ( -1.136 0.642 -0.216) 1.323 9.324 ( 0.842 0.356 0.234) 0.944 9.356 ( 1.772 -1.803 -0.105) 2.531 9.418 ( -1.981 -0.233 -0.138) 2.000 9.511 ( 0.887 -1.600 -0.036) 1.830 9.572 ( 1.828 -0.707 0.742) 2.095 9.656 ( -0.809 -3.088 0.269) 3.203 9.785 ( 4.318 3.102 -0.557) 5.346 9.864 ( 2.527 0.680 -0.970) 2.791 10.400 ( -1.347 -0.401 0.805) 1.620 10.478 ( -1.035 -0.494 -0.465) 1.238 10.586 ( -1.403 -0.873 -0.269) 1.674 10.647 ( -2.583 0.103 0.304) 2.603 ======================= Grid point 14 (10/70) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -1.736 1.827 -1.734) 3.059 0.506 ( 0.490 3.852 0.957) 4.000 0.559 ( 6.069 1.898 0.615) 6.389 0.703 ( -0.418 0.060 -2.344) 2.382 0.773 ( 3.246 -0.066 -1.800) 3.713 0.814 ( 0.126 0.699 6.069) 6.111 0.865 ( -0.457 1.116 0.687) 1.388 0.952 ( -0.368 1.191 -0.338) 1.292 0.979 ( -0.416 -1.737 0.228) 1.800 1.066 ( 1.008 0.416 0.954) 1.448 1.104 ( 0.105 -1.782 -2.234) 2.860 1.141 ( 0.690 1.980 -1.677) 2.685 1.162 ( 1.516 -2.199 2.077) 3.383 1.206 ( 1.154 1.075 -0.792) 1.765 1.318 ( 0.474 0.172 -1.278) 1.374 1.350 ( 2.449 3.455 -0.304) 4.246 1.357 ( 1.279 0.723 0.651) 1.607 1.563 ( 0.486 1.123 1.964) 2.314 1.586 ( 2.553 -4.473 0.635) 5.189 1.642 ( -0.460 0.042 -2.007) 2.059 1.683 ( -0.871 -0.156 -0.035) 0.885 1.745 ( -1.167 0.070 -1.316) 1.760 1.845 ( -2.174 -2.234 -0.718) 3.199 1.852 ( -1.566 -3.688 2.246) 4.594 1.995 ( -2.195 0.506 -0.842) 2.404 2.029 ( -1.995 1.194 -0.265) 2.340 2.072 ( -4.441 2.444 -0.983) 5.164 2.100 ( -3.577 1.078 1.195) 3.922 2.252 ( 2.778 -1.218 -0.203) 3.040 2.366 ( -0.632 2.349 0.283) 2.449 2.419 ( 1.497 -3.624 -1.836) 4.329 2.462 ( 1.441 -0.587 -2.554) 2.991 2.516 ( 3.085 0.118 2.477) 3.958 2.563 ( 1.519 0.617 2.698) 3.157 2.701 ( -3.833 1.872 2.100) 4.755 2.729 ( 2.267 -1.022 -2.046) 3.220 2.963 ( -3.840 1.048 3.800) 5.502 3.001 ( 5.039 -2.680 -5.630) 8.016 3.236 ( -3.913 -0.416 1.640) 4.263 3.309 ( 2.705 -0.901 -0.540) 2.901 3.538 ( -3.464 -0.896 0.421) 3.602 3.641 ( 2.913 -1.336 0.368) 3.226 3.793 ( 0.880 -1.228 -0.412) 1.566 3.846 ( -0.169 0.395 -0.404) 0.589 4.259 ( 1.700 -2.407 -0.317) 2.964 4.416 ( 0.452 -0.436 0.574) 0.851 4.474 ( -0.291 -2.582 0.188) 2.606 4.507 ( -0.842 -1.610 -0.278) 1.838 5.719 ( 0.988 1.020 0.014) 1.420 5.802 ( 0.682 0.177 -0.076) 0.709 5.850 ( -0.916 2.881 0.230) 3.032 5.892 ( -0.827 2.281 -0.162) 2.432 6.634 ( 2.823 1.130 -0.052) 3.042 6.835 ( 1.783 0.435 0.311) 1.862 6.971 ( -3.207 0.613 -0.165) 3.269 7.011 ( -1.397 0.483 -0.205) 1.493 7.229 ( 1.348 -0.008 -0.052) 1.349 7.284 ( 3.978 0.260 0.081) 3.987 7.485 ( -3.802 0.415 -0.086) 3.826 7.511 ( -1.734 -0.827 0.126) 1.925 7.846 ( -0.330 -0.658 0.155) 0.753 7.882 ( 0.457 0.489 -0.165) 0.689 7.929 ( -1.077 -0.293 -0.027) 1.116 7.990 ( 0.674 0.509 0.066) 0.847 8.203 ( -0.700 0.372 -0.510) 0.942 8.276 ( 0.201 0.371 0.079) 0.429 8.373 ( 1.200 -0.331 1.333) 1.823 8.405 ( 0.123 -0.828 -0.505) 0.977 8.563 ( 0.424 -0.362 -0.962) 1.112 8.580 ( 0.269 0.370 0.302) 0.548 8.634 ( -0.460 0.323 0.500) 0.752 8.666 ( -0.549 -0.343 -0.202) 0.678 9.308 ( -1.330 0.835 0.209) 1.584 9.369 ( -2.589 1.467 -0.306) 2.991 9.416 ( 1.140 -1.302 0.252) 1.749 9.541 ( 1.297 -0.497 -0.845) 1.626 9.598 ( 2.144 0.275 0.783) 2.299 9.684 ( -1.165 -1.051 -0.087) 1.571 9.760 ( 1.992 2.961 0.228) 3.576 9.867 ( 1.704 0.990 -0.359) 2.004 10.401 ( -0.867 -0.543 0.439) 1.113 10.480 ( -0.409 -0.797 -0.431) 0.994 10.598 ( -0.480 -0.981 -0.003) 1.093 10.637 ( -0.894 -1.334 0.086) 1.608 ======================= Grid point 15 (11/70) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -2.133 -2.391 -1.802) 3.676 0.467 ( 2.061 1.254 0.058) 2.413 0.618 ( 5.567 -1.338 -0.907) 5.797 0.692 ( -0.321 -0.086 -2.321) 2.345 0.767 ( -1.157 1.313 0.222) 1.765 0.797 ( 1.548 3.044 3.772) 5.088 0.895 ( 1.834 -2.176 0.193) 2.852 0.923 ( -0.800 0.962 0.384) 1.309 0.987 ( -0.064 1.174 -1.381) 1.814 1.060 ( 1.452 1.576 0.387) 2.178 1.113 ( 0.132 -0.014 0.033) 0.137 1.140 ( -0.615 -0.858 0.907) 1.392 1.199 ( 1.967 0.280 -0.511) 2.051 1.223 ( 0.145 -1.197 1.249) 1.736 1.260 ( -0.700 2.501 -2.805) 3.823 1.333 ( 1.486 0.871 0.985) 1.984 1.381 ( 0.330 1.026 0.263) 1.109 1.478 ( -0.994 6.670 0.449) 6.759 1.574 ( 0.763 2.160 2.076) 3.091 1.638 ( -0.759 1.892 -2.191) 2.992 1.733 ( -1.115 -0.994 -1.239) 1.941 1.766 ( 2.455 -3.288 -0.784) 4.178 1.851 ( -2.834 -1.869 0.412) 3.420 1.907 ( -2.462 -0.720 0.001) 2.565 1.944 ( 0.647 0.635 0.113) 0.914 1.998 ( -3.216 -0.671 0.460) 3.318 2.033 ( -3.219 -2.872 0.457) 4.338 2.083 ( -3.023 -2.196 -0.609) 3.786 2.219 ( -0.420 6.515 0.758) 6.572 2.300 ( -0.093 2.788 -0.927) 2.939 2.448 ( 1.286 0.235 -0.415) 1.372 2.486 ( -0.550 1.983 0.534) 2.126 2.517 ( -0.098 0.986 1.105) 1.484 2.587 ( 4.707 0.395 -1.426) 4.935 2.649 ( -1.835 -0.185 2.571) 3.164 2.768 ( 1.843 -0.561 -2.500) 3.156 2.889 ( -4.462 4.487 4.099) 7.540 3.053 ( 4.340 -0.361 -5.087) 6.697 3.183 ( -5.287 1.835 2.352) 6.071 3.320 ( 2.269 2.196 -1.655) 3.565 3.509 ( -3.244 0.743 0.958) 3.463 3.667 ( 3.191 0.544 -0.671) 3.306 3.806 ( -0.146 1.549 1.204) 1.967 3.883 ( 1.415 -3.756 0.028) 4.014 4.266 ( 1.442 2.997 -0.614) 3.382 4.412 ( 0.736 2.093 1.086) 2.470 4.491 ( -1.244 2.079 -1.253) 2.727 4.500 ( 0.369 -0.213 0.538) 0.686 5.742 ( 1.980 -1.596 0.100) 2.545 5.820 ( 1.365 -0.959 0.155) 1.675 5.825 ( -1.516 -1.851 -0.425) 2.430 5.898 ( -1.058 -3.708 0.198) 3.861 6.658 ( 4.112 -0.224 -0.029) 4.118 6.845 ( 1.507 0.391 0.275) 1.581 6.913 ( -5.095 0.925 -0.219) 5.183 6.981 ( -2.338 0.811 -0.146) 2.479 7.249 ( 2.342 -0.062 0.037) 2.344 7.320 ( 5.069 0.677 0.085) 5.114 7.426 ( -5.153 1.101 -0.134) 5.271 7.499 ( -3.214 -0.363 0.191) 3.240 7.861 ( 0.392 -0.670 0.300) 0.833 7.878 ( 0.143 -0.240 -0.450) 0.530 7.936 ( -0.447 -1.234 -0.076) 1.315 7.981 ( 0.139 0.971 0.244) 1.011 8.198 ( -0.719 -0.748 -0.695) 1.250 8.275 ( 0.379 -0.200 -0.125) 0.446 8.394 ( 1.490 -0.066 0.923) 1.754 8.423 ( 0.732 -0.666 0.546) 1.130 8.565 ( 0.986 -0.306 -0.901) 1.370 8.600 ( 0.047 -1.242 -0.608) 1.383 8.639 ( 0.211 -0.930 0.812) 1.253 8.677 ( -0.027 -1.257 0.046) 1.258 9.277 ( -2.170 0.658 -0.022) 2.267 9.299 ( -3.270 2.700 0.060) 4.241 9.444 ( 1.219 -0.285 0.175) 1.264 9.544 ( 0.753 0.818 -1.419) 1.803 9.604 ( 1.592 1.428 1.028) 2.373 9.670 ( -1.540 0.901 -1.248) 2.177 9.718 ( -0.291 3.111 1.274) 3.375 9.864 ( 1.229 0.734 0.249) 1.453 10.407 ( -0.272 -0.693 0.024) 0.744 10.493 ( 0.076 -0.763 -0.230) 0.801 10.609 ( 0.047 -0.881 0.282) 0.926 10.675 ( 0.826 -2.438 -0.171) 2.580 ======================= Grid point 16 (12/70) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -1.562 -0.510 -1.660) 2.336 0.507 ( 3.819 -2.017 0.633) 4.365 0.630 ( -3.251 1.183 -3.286) 4.771 0.716 ( 5.774 -0.116 -1.207) 5.900 0.761 ( -0.003 -1.234 0.998) 1.587 0.770 ( 0.462 1.465 2.918) 3.298 0.842 ( -2.705 5.865 -1.247) 6.578 0.934 ( 1.482 0.118 0.579) 1.596 0.966 ( -1.613 0.557 -0.064) 1.708 1.032 ( 2.243 4.768 1.746) 5.551 1.117 ( 0.048 -0.157 -0.892) 0.907 1.136 ( 1.246 3.050 -0.340) 3.312 1.178 ( -4.310 1.666 -1.072) 4.744 1.226 ( 0.395 0.722 1.336) 1.569 1.232 ( 0.826 -0.320 1.550) 1.786 1.299 ( -3.847 2.564 -0.216) 4.628 1.323 ( -0.444 3.159 -1.307) 3.448 1.419 ( 3.488 1.295 -0.204) 3.726 1.546 ( -1.964 1.665 1.911) 3.207 1.601 ( 3.829 2.257 -0.632) 4.490 1.714 ( -1.800 0.437 -1.710) 2.521 1.754 ( -6.441 9.495 0.295) 11.477 1.789 ( -0.752 2.524 0.091) 2.636 1.843 ( -1.688 1.450 -0.080) 2.227 2.020 ( 5.924 -4.317 -0.692) 7.363 2.043 ( 2.617 -3.434 -1.467) 4.560 2.065 ( -3.356 -3.138 2.031) 5.023 2.096 ( 0.754 2.471 0.044) 2.584 2.183 ( -1.878 -5.834 0.413) 6.143 2.219 ( -6.064 -0.120 -0.240) 6.070 2.431 ( 2.190 2.478 -0.553) 3.353 2.465 ( 1.148 1.821 1.340) 2.535 2.491 ( -0.283 1.662 -0.135) 1.691 2.581 ( 2.328 3.364 0.476) 4.119 2.661 ( -0.350 1.527 -1.161) 1.950 2.711 ( -0.182 6.118 0.342) 6.130 2.813 ( -2.046 0.360 1.091) 2.346 3.040 ( 0.891 3.493 -2.989) 4.684 3.126 ( -2.006 0.592 2.274) 3.089 3.265 ( 0.883 4.754 -1.036) 4.945 3.473 ( -1.166 1.181 0.528) 1.741 3.686 ( 2.273 0.051 -1.179) 2.561 3.765 ( -0.720 2.665 1.060) 2.957 3.954 ( 1.024 -2.365 0.440) 2.614 4.188 ( 0.753 6.523 -0.049) 6.567 4.363 ( 0.901 4.717 1.887) 5.159 4.406 ( -1.549 4.976 -2.500) 5.780 4.492 ( 0.579 1.956 0.472) 2.094 5.792 ( 0.722 -2.282 0.039) 2.394 5.868 ( 1.553 -2.983 -0.264) 3.373 5.891 ( -0.551 -6.167 0.317) 6.199 5.973 ( -1.000 -5.129 -0.005) 5.226 6.719 ( 5.078 -1.722 -0.072) 5.363 6.833 ( -5.594 -0.740 0.060) 5.643 6.877 ( 2.332 0.768 0.176) 2.461 6.942 ( -3.340 0.240 -0.211) 3.355 7.267 ( 2.822 0.919 0.107) 2.969 7.342 ( 1.388 1.814 -0.660) 2.378 7.359 ( -2.008 1.313 0.558) 2.463 7.471 ( -3.249 -0.365 0.214) 3.277 7.864 ( 0.369 0.315 0.017) 0.485 7.912 ( 0.558 -2.894 0.058) 2.948 7.950 ( 0.632 0.405 -0.436) 0.868 7.968 ( -0.999 -0.554 0.413) 1.214 8.206 ( -0.611 -1.115 -0.834) 1.521 8.289 ( 0.634 -0.544 -0.126) 0.844 8.411 ( 1.232 -0.184 0.432) 1.319 8.443 ( 0.676 -0.392 0.860) 1.162 8.587 ( 1.411 -1.054 -0.211) 1.774 8.615 ( -0.951 -1.447 -0.719) 1.875 8.670 ( 0.451 -1.692 0.136) 1.757 8.708 ( 0.340 -1.802 0.352) 1.867 9.226 ( -2.102 2.370 -0.044) 3.169 9.250 ( -1.904 0.145 -0.016) 1.910 9.451 ( 0.889 0.691 0.354) 1.180 9.521 ( 0.533 1.709 -1.277) 2.199 9.583 ( -0.104 2.286 1.372) 2.669 9.616 ( -1.494 2.795 -2.121) 3.814 9.658 ( -1.006 3.033 1.213) 3.418 9.873 ( 0.929 -0.504 0.970) 1.434 10.417 ( 0.131 -0.451 -0.452) 0.652 10.502 ( 0.069 -0.262 0.201) 0.337 10.632 ( 0.517 -1.153 -0.013) 1.264 10.723 ( 0.929 -1.935 -0.032) 2.147 ======================= Grid point 17 (13/70) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 0.000 7.464 0.000) 7.464 0.504 ( 0.000 8.959 0.000) 8.959 0.604 ( -0.000 -3.002 -0.000) 3.002 0.689 ( 0.000 4.716 0.000) 4.716 0.724 ( 0.000 4.151 0.000) 4.151 0.788 ( -0.000 -1.022 -0.000) 1.022 0.822 ( -0.000 -2.612 -0.000) 2.612 0.911 ( 0.000 5.628 0.000) 5.628 0.919 ( 0.000 1.731 0.000) 1.731 0.975 ( 0.000 1.471 0.000) 1.471 1.044 ( 0.000 7.697 0.000) 7.697 1.050 ( 0.000 5.696 0.000) 5.696 1.103 ( 0.000 3.871 0.000) 3.871 1.189 ( 0.000 7.003 0.000) 7.003 1.241 ( 0.000 1.806 0.000) 1.806 1.266 ( -0.000 -1.226 -0.000) 1.226 1.313 ( -0.000 -2.547 -0.000) 2.547 1.386 ( 0.000 12.711 0.000) 12.711 1.443 ( 0.000 0.755 0.000) 0.755 1.529 ( -0.000 -0.110 -0.000) 0.110 1.690 ( -0.000 -4.330 -0.000) 4.330 1.690 ( 0.000 1.481 0.000) 1.481 1.758 ( -0.000 -0.466 -0.000) 0.466 1.837 ( -0.000 -0.392 -0.000) 0.392 1.958 ( 0.000 7.217 0.000) 7.217 2.099 ( -0.000 -3.347 -0.000) 3.347 2.107 ( -0.000 -1.081 -0.000) 1.081 2.190 ( -0.000 -4.801 -0.000) 4.801 2.199 ( -0.000 -3.128 -0.000) 3.128 2.316 ( -0.000 -5.467 -0.000) 5.467 2.389 ( 0.000 4.254 0.000) 4.254 2.408 ( 0.000 6.031 0.000) 6.031 2.471 ( 0.000 1.068 0.000) 1.068 2.525 ( 0.000 4.677 0.000) 4.677 2.552 ( 0.000 0.547 0.000) 0.547 2.694 ( -0.000 -0.349 -0.000) 0.349 2.796 ( 0.000 0.791 0.000) 0.791 2.965 ( 0.000 4.148 0.000) 4.148 3.112 ( 0.000 1.286 0.000) 1.286 3.182 ( 0.000 4.519 0.000) 4.519 3.443 ( 0.000 1.900 0.000) 1.900 3.701 ( -0.000 -0.991 -0.000) 0.991 3.716 ( 0.000 2.336 0.000) 2.336 3.982 ( -0.000 -0.147 -0.000) 0.147 4.064 ( 0.000 7.630 0.000) 7.630 4.278 ( 0.000 6.151 0.000) 6.151 4.304 ( 0.000 3.804 0.000) 3.804 4.445 ( 0.000 3.678 0.000) 3.678 5.834 ( -0.000 -1.990 -0.000) 1.990 5.938 ( -0.000 -3.538 -0.000) 3.538 6.002 ( -0.000 -5.856 -0.000) 5.856 6.043 ( -0.000 -3.467 -0.000) 3.467 6.797 ( -0.000 -0.992 -0.000) 0.992 6.811 ( -0.000 -3.160 -0.000) 3.160 6.892 ( 0.000 0.121 0.000) 0.121 6.925 ( -0.000 -0.972 -0.000) 0.972 7.258 ( 0.000 2.070 0.000) 2.070 7.297 ( 0.000 1.420 0.000) 1.420 7.333 ( 0.000 2.286 0.000) 2.286 7.469 ( -0.000 -0.923 -0.000) 0.923 7.862 ( 0.000 0.185 0.000) 0.185 7.926 ( 0.000 1.693 0.000) 1.693 7.979 ( -0.000 -3.075 -0.000) 3.075 7.982 ( -0.000 -1.350 -0.000) 1.350 8.222 ( -0.000 -1.309 -0.000) 1.309 8.300 ( -0.000 -0.511 -0.000) 0.511 8.420 ( 0.000 0.311 0.000) 0.311 8.451 ( -0.000 -0.090 -0.000) 0.090 8.614 ( -0.000 -0.696 -0.000) 0.696 8.644 ( -0.000 -2.795 -0.000) 2.795 8.702 ( -0.000 -1.587 -0.000) 1.587 8.740 ( -0.000 -1.456 -0.000) 1.456 9.186 ( 0.000 0.984 0.000) 0.984 9.239 ( -0.000 -0.042 -0.000) 0.042 9.438 ( 0.000 1.419 0.000) 1.419 9.488 ( 0.000 2.067 0.000) 2.067 9.537 ( 0.000 2.530 0.000) 2.530 9.545 ( 0.000 3.490 0.000) 3.490 9.610 ( 0.000 1.979 0.000) 1.979 9.902 ( -0.000 -1.762 -0.000) 1.762 10.418 ( 0.000 0.288 0.000) 0.288 10.504 ( 0.000 0.204 0.000) 0.204 10.652 ( -0.000 -0.717 -0.000) 0.717 10.757 ( -0.000 -1.350 -0.000) 1.350 ======================= Grid point 20 (14/70) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 10.127 -0.000 6.647) 12.114 0.552 ( 8.606 -0.000 0.701) 8.634 0.617 ( 4.736 -0.000 -2.191) 5.218 0.688 ( 1.346 -0.000 0.138) 1.353 0.718 ( 4.615 -0.000 1.841) 4.968 0.780 ( -1.042 0.000 -0.568) 1.187 0.876 ( 3.720 -0.000 -3.152) 4.876 0.914 ( 0.786 -0.000 1.987) 2.137 0.991 ( 3.218 -0.000 -0.772) 3.309 1.018 ( 5.446 -0.000 1.300) 5.599 1.107 ( 3.219 -0.000 -0.733) 3.301 1.118 ( 11.309 -0.000 1.508) 11.409 1.178 ( 2.372 -0.000 0.123) 2.375 1.181 ( 1.755 -0.000 1.313) 2.192 1.219 ( 5.601 -0.000 -0.282) 5.608 1.286 ( 0.240 -0.000 -1.207) 1.231 1.354 ( 3.036 -0.000 1.807) 3.533 1.422 ( 3.740 -0.000 0.822) 3.829 1.531 ( 2.052 -0.000 -1.957) 2.835 1.540 ( -1.546 0.000 2.739) 3.145 1.658 ( -1.023 0.000 -2.462) 2.666 1.749 ( 2.534 -0.000 -0.999) 2.724 1.752 ( 2.542 -0.000 -0.026) 2.542 1.877 ( -1.674 0.000 -2.162) 2.734 1.985 ( 4.738 -0.000 -1.138) 4.873 2.008 ( -2.161 0.000 0.173) 2.168 2.064 ( -5.487 0.000 0.054) 5.487 2.081 ( -7.498 0.000 -0.437) 7.510 2.243 ( 3.305 -0.000 -0.951) 3.439 2.349 ( 6.202 -0.000 -1.569) 6.397 2.383 ( -0.033 0.000 0.163) 0.166 2.400 ( 0.961 -0.000 1.840) 2.076 2.470 ( 2.206 -0.000 -1.807) 2.852 2.487 ( -2.166 0.000 4.686) 5.162 2.628 ( 2.755 -0.000 -0.005) 2.755 2.699 ( -1.516 0.000 -0.415) 1.571 2.757 ( -0.540 0.000 -2.045) 2.115 2.949 ( -1.998 0.000 3.222) 3.792 3.010 ( 0.745 -0.000 0.374) 0.834 3.049 ( 2.977 -0.000 -0.584) 3.034 3.429 ( -0.523 0.000 0.087) 0.530 3.700 ( -0.488 0.000 7.198) 7.215 3.749 ( 0.280 -0.000 -4.788) 4.796 3.789 ( -2.575 0.000 -0.664) 2.659 3.996 ( 2.414 -0.000 -3.276) 4.069 4.193 ( 3.088 -0.000 0.509) 3.129 4.217 ( -2.442 0.000 -0.789) 2.566 4.335 ( -0.714 0.000 1.635) 1.784 5.906 ( 1.646 -0.000 -0.683) 1.782 5.922 ( 2.165 -0.000 0.630) 2.255 6.138 ( 1.132 -0.000 -1.249) 1.686 6.155 ( 2.004 -0.000 1.250) 2.362 6.790 ( 0.416 -0.000 2.075) 2.116 6.829 ( -1.858 0.000 -2.797) 3.358 6.933 ( 0.760 -0.000 1.984) 2.125 6.989 ( 0.247 -0.000 -1.200) 1.226 7.256 ( 1.453 -0.000 -1.393) 2.013 7.258 ( 1.879 -0.000 0.774) 2.032 7.396 ( 1.374 -0.000 -1.224) 1.840 7.406 ( -0.331 0.000 1.095) 1.144 7.828 ( -1.282 0.000 0.092) 1.286 7.898 ( -0.057 0.000 1.005) 1.007 7.968 ( -0.400 0.000 -0.482) 0.626 7.975 ( -1.098 0.000 -0.663) 1.283 8.282 ( 0.593 -0.000 2.628) 2.694 8.283 ( -0.641 0.000 -0.552) 0.846 8.395 ( 0.268 -0.000 0.803) 0.847 8.412 ( -1.363 0.000 -1.437) 1.981 8.612 ( 0.329 -0.000 -1.485) 1.521 8.686 ( -0.151 0.000 2.586) 2.591 8.709 ( -0.527 0.000 -0.814) 0.969 8.741 ( -1.102 0.000 -0.504) 1.212 9.260 ( 2.138 -0.000 0.407) 2.176 9.354 ( -3.292 0.000 1.176) 3.495 9.401 ( -2.645 0.000 0.232) 2.655 9.409 ( 1.860 -0.000 -3.112) 3.626 9.503 ( -0.809 0.000 2.078) 2.230 9.514 ( 2.373 -0.000 -0.994) 2.573 9.768 ( 5.985 -0.000 4.099) 7.254 9.929 ( 7.615 -0.000 -10.708) 13.139 10.412 ( -3.357 0.000 3.585) 4.911 10.472 ( -0.830 0.000 -0.602) 1.025 10.588 ( -2.763 0.000 -0.610) 2.829 10.683 ( -3.584 0.000 0.712) 3.654 ======================= Grid point 21 (15/70) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 6.459 -1.406 4.322) 7.898 0.636 ( 0.184 -1.842 1.599) 2.446 0.646 ( 5.273 1.336 -0.613) 5.474 0.710 ( 3.942 -0.071 0.381) 3.961 0.741 ( 1.030 2.932 -0.153) 3.111 0.785 ( 6.964 -1.047 0.289) 7.048 0.862 ( 2.167 0.501 0.003) 2.224 0.966 ( 2.088 2.987 -0.446) 3.672 0.977 ( 0.607 -1.681 0.465) 1.847 1.046 ( 1.241 3.138 -0.440) 3.403 1.091 ( 1.855 3.596 -0.447) 4.071 1.148 ( 1.114 -0.337 1.400) 1.821 1.227 ( 4.292 -1.708 -1.782) 4.951 1.232 ( 0.798 -2.941 2.311) 3.824 1.281 ( 3.175 -2.045 -1.039) 3.916 1.331 ( 0.953 -3.000 -0.284) 3.160 1.378 ( 2.965 1.929 1.426) 3.814 1.457 ( -0.098 2.133 0.510) 2.196 1.468 ( 1.465 0.940 -3.048) 3.510 1.564 ( 3.593 -0.577 0.498) 3.673 1.659 ( 0.119 0.726 -1.294) 1.489 1.731 ( -2.115 0.672 0.812) 2.363 1.841 ( 2.111 -2.696 -0.783) 3.512 1.895 ( -0.551 -3.196 -1.262) 3.480 1.964 ( -6.638 -0.305 1.376) 6.786 2.014 ( -1.254 1.482 -2.043) 2.819 2.035 ( 3.750 -1.536 2.879) 4.971 2.060 ( -1.631 -4.289 -1.087) 4.716 2.271 ( 1.048 -0.224 -1.429) 1.786 2.331 ( 0.137 4.911 -1.910) 5.271 2.386 ( 4.350 0.899 -0.692) 4.496 2.407 ( -2.932 2.080 0.490) 3.628 2.462 ( 4.403 -2.942 2.018) 5.667 2.574 ( 1.082 -4.312 1.155) 4.594 2.615 ( 3.617 1.629 -0.707) 4.029 2.710 ( -0.962 0.481 1.935) 2.214 2.790 ( 3.253 -3.884 -4.019) 6.467 2.927 ( -3.875 -0.347 2.921) 4.865 3.054 ( -0.928 -3.876 1.859) 4.397 3.116 ( 4.784 -3.116 -0.977) 5.793 3.435 ( 0.103 -1.065 -0.238) 1.096 3.659 ( -2.308 4.091 -0.200) 4.701 3.732 ( 1.446 -0.577 1.097) 1.904 3.861 ( -1.771 -6.545 4.091) 7.919 3.994 ( 2.183 0.707 -6.739) 7.119 4.228 ( -2.378 -4.707 -0.986) 5.365 4.256 ( 2.775 -2.969 0.887) 4.160 4.352 ( -0.487 -1.574 1.599) 2.296 5.895 ( 1.474 2.578 -0.331) 2.988 5.930 ( 1.099 1.793 0.229) 2.115 6.109 ( 1.093 3.836 -0.516) 4.022 6.152 ( 1.252 3.060 0.594) 3.359 6.750 ( -0.196 3.204 -0.273) 3.222 6.836 ( 0.315 -0.664 0.545) 0.915 6.951 ( 1.074 -0.562 0.810) 1.458 6.991 ( -0.103 -0.848 -1.085) 1.381 7.259 ( 1.905 1.021 -0.352) 2.190 7.276 ( 1.410 0.336 0.270) 1.474 7.401 ( 0.462 -1.751 -0.267) 1.831 7.450 ( -1.774 -3.230 -0.070) 3.685 7.820 ( -1.317 -0.478 0.132) 1.407 7.896 ( -0.399 0.381 0.727) 0.913 7.963 ( -0.870 -0.382 -1.283) 1.596 7.969 ( -0.998 -0.595 0.010) 1.162 8.273 ( -0.309 0.586 0.146) 0.679 8.294 ( 0.895 0.663 2.918) 3.123 8.382 ( -0.205 1.135 -0.765) 1.384 8.398 ( -0.249 0.234 -0.972) 1.030 8.595 ( 0.494 1.577 -1.188) 2.035 8.677 ( -1.060 1.370 1.321) 2.179 8.695 ( 0.182 1.097 0.122) 1.119 8.715 ( -1.547 1.185 -0.594) 2.037 9.287 ( 2.000 -0.995 0.058) 2.235 9.332 ( -2.640 -0.512 0.625) 2.761 9.380 ( -1.403 -1.006 -0.820) 1.911 9.447 ( 1.162 -2.336 -0.703) 2.702 9.527 ( -0.303 -2.115 2.450) 3.251 9.540 ( 2.002 -1.038 -1.224) 2.566 9.841 ( 5.372 -0.011 3.828) 6.596 9.938 ( 6.032 2.473 -7.321) 9.803 10.390 ( -3.219 -0.052 2.372) 3.999 10.463 ( -1.080 -0.195 -0.771) 1.341 10.565 ( -2.652 -0.423 -0.376) 2.711 10.651 ( -3.270 0.165 0.549) 3.319 ======================= Grid point 22 (16/70) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.220 3.935 -0.665) 3.997 0.643 ( 4.690 3.177 0.291) 5.672 0.665 ( 0.446 0.158 0.196) 0.513 0.707 ( 1.475 0.898 1.039) 2.015 0.785 ( 4.671 -0.696 3.078) 5.637 0.819 ( 3.293 2.160 0.598) 3.984 0.924 ( 2.325 0.027 -1.804) 2.942 0.934 ( -0.080 0.641 2.131) 2.227 0.958 ( 0.079 1.712 -0.475) 1.779 1.037 ( 1.670 -2.050 -0.036) 2.645 1.064 ( 1.272 0.773 1.122) 1.864 1.172 ( -0.407 -1.919 -0.056) 1.962 1.233 ( -0.556 0.976 -0.437) 1.206 1.247 ( -1.575 5.156 1.064) 5.496 1.339 ( 1.148 -1.399 -2.501) 3.087 1.353 ( 6.341 1.789 -0.679) 6.623 1.409 ( 3.530 -2.183 0.387) 4.169 1.469 ( 1.924 -4.169 0.177) 4.595 1.489 ( 0.695 -1.305 -3.137) 3.468 1.604 ( -1.009 0.294 1.362) 1.720 1.633 ( 2.872 -0.257 0.662) 2.958 1.703 ( -2.125 0.386 0.964) 2.365 1.844 ( -4.627 -0.682 -1.282) 4.850 1.874 ( 0.497 3.351 -0.075) 3.389 1.964 ( -4.180 -2.039 -1.302) 4.830 2.015 ( -3.751 -4.824 2.654) 6.662 2.108 ( -2.808 -4.414 -3.063) 6.062 2.140 ( 4.757 -1.031 1.105) 4.992 2.228 ( -0.614 5.286 0.562) 5.351 2.275 ( 1.201 -1.717 -2.650) 3.379 2.314 ( -2.341 3.542 -1.253) 4.427 2.458 ( 4.592 -3.018 -0.207) 5.498 2.568 ( 4.172 -2.454 1.905) 5.201 2.580 ( -1.215 1.012 2.818) 3.232 2.658 ( 1.443 1.559 1.106) 2.396 2.737 ( 2.679 -3.413 -1.453) 4.576 2.876 ( 4.877 -2.827 -4.141) 6.994 2.920 ( -4.229 -2.142 2.611) 5.412 3.131 ( -1.785 -4.848 2.722) 5.839 3.220 ( 4.086 -3.740 -0.534) 5.565 3.471 ( 0.244 -2.718 0.234) 2.739 3.578 ( -2.498 1.418 -1.341) 3.170 3.761 ( 1.094 -0.711 0.931) 1.602 3.912 ( -1.001 1.649 0.062) 1.930 4.048 ( 2.879 -7.301 -1.534) 7.997 4.309 ( -2.546 -6.896 -1.990) 7.616 4.343 ( 2.101 -3.492 1.252) 4.263 4.387 ( -0.528 -2.411 1.321) 2.799 5.843 ( 0.978 4.556 0.395) 4.676 5.879 ( 0.026 3.733 -0.611) 3.783 6.030 ( 0.210 5.669 0.236) 5.678 6.075 ( 0.167 6.083 -0.019) 6.086 6.704 ( 1.554 2.471 -0.416) 2.949 6.850 ( 1.420 0.237 1.365) 1.984 6.966 ( -0.957 -0.617 -1.043) 1.544 7.011 ( 0.838 -0.913 0.050) 1.240 7.248 ( 0.810 1.054 -0.143) 1.337 7.292 ( 3.036 0.262 0.134) 3.050 7.442 ( -0.878 -2.501 -0.101) 2.652 7.471 ( -3.451 -1.976 -0.038) 3.977 7.822 ( -0.965 -0.879 0.142) 1.313 7.887 ( -0.411 0.329 0.475) 0.709 7.955 ( -0.481 0.375 -1.146) 1.299 7.973 ( -0.859 -1.068 0.123) 1.376 8.253 ( -0.363 1.682 0.336) 1.753 8.294 ( 0.824 0.953 1.476) 1.941 8.369 ( 0.707 0.344 0.532) 0.950 8.388 ( -0.236 0.140 -1.295) 1.324 8.568 ( 0.578 1.476 -0.627) 1.705 8.639 ( -0.586 1.996 0.071) 2.081 8.669 ( -1.060 1.374 0.335) 1.767 8.678 ( -1.151 1.168 -0.197) 1.652 9.323 ( -2.105 -0.752 0.089) 2.237 9.338 ( 2.588 -1.985 0.142) 3.264 9.388 ( -1.619 -1.064 -0.255) 1.954 9.498 ( 2.326 -1.641 -0.436) 2.880 9.572 ( 0.982 -1.539 1.335) 2.262 9.587 ( -0.170 -3.608 -0.198) 3.617 9.879 ( 3.993 2.374 1.456) 4.868 9.919 ( 4.531 2.482 -3.143) 6.047 10.376 ( -2.422 -0.686 1.288) 2.827 10.455 ( -1.235 -0.520 -0.713) 1.518 10.551 ( -2.139 -0.894 -0.170) 2.324 10.623 ( -2.594 0.035 0.319) 2.614 ======================= Grid point 23 (17/70) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -1.256 4.999 -1.737) 5.439 0.598 ( 0.952 4.957 1.641) 5.308 0.676 ( 6.237 2.563 0.635) 6.773 0.701 ( -0.018 0.878 -1.777) 1.982 0.809 ( 2.919 1.449 -0.875) 3.374 0.838 ( 1.540 -0.784 3.462) 3.869 0.883 ( -1.268 2.038 1.213) 2.689 0.937 ( -0.697 -1.239 0.251) 1.443 0.979 ( 1.855 -0.503 1.212) 2.272 1.066 ( 0.065 -0.315 -0.550) 0.637 1.110 ( 2.197 0.919 -0.433) 2.420 1.134 ( -1.226 0.485 1.043) 1.681 1.196 ( 0.575 0.816 -2.190) 2.407 1.208 ( -1.407 0.618 0.847) 1.755 1.337 ( 3.038 0.621 -1.789) 3.580 1.384 ( 2.265 0.626 -1.573) 2.828 1.442 ( 2.299 3.392 -0.059) 4.098 1.514 ( 1.888 -3.867 0.464) 4.328 1.571 ( 1.252 -3.281 1.886) 3.986 1.623 ( 0.789 -2.775 -3.039) 4.190 1.677 ( 0.258 0.199 2.237) 2.260 1.709 ( 0.014 -2.593 1.576) 3.034 1.773 ( -4.523 0.952 -2.057) 5.059 1.857 ( 0.466 0.766 1.369) 1.637 1.952 ( -2.984 -1.393 -1.359) 3.563 2.000 ( -5.528 1.342 1.972) 6.021 2.088 ( -3.503 2.884 -2.685) 5.273 2.132 ( -2.003 4.310 -0.306) 4.762 2.227 ( 0.901 -4.718 0.346) 4.816 2.277 ( -0.501 -4.698 -1.543) 4.971 2.355 ( 1.622 -3.767 -0.527) 4.135 2.546 ( 3.200 0.193 0.220) 3.213 2.564 ( 2.230 -0.428 -0.482) 2.322 2.601 ( 3.956 4.137 3.365) 6.640 2.664 ( -1.636 -2.304 1.159) 3.054 2.758 ( -0.440 1.992 -0.898) 2.229 2.929 ( -2.854 -1.977 2.281) 4.154 2.969 ( 3.803 -3.920 -4.183) 6.880 3.185 ( -2.598 -2.279 1.507) 3.770 3.308 ( 2.999 -2.308 0.458) 3.812 3.493 ( -2.570 -0.783 0.103) 2.688 3.602 ( 1.064 -4.732 0.002) 4.850 3.779 ( 0.449 -0.495 -0.386) 0.772 3.867 ( 0.022 1.874 -0.883) 2.072 4.203 ( 2.864 -6.027 0.189) 6.675 4.387 ( -0.980 -4.207 -0.378) 4.337 4.419 ( 1.084 -3.022 0.410) 3.237 4.438 ( -1.522 -3.935 0.261) 4.227 5.772 ( 0.943 3.854 0.192) 3.973 5.824 ( 0.250 2.070 -0.286) 2.104 5.922 ( -1.116 5.809 0.137) 5.917 5.964 ( -0.180 6.023 -0.036) 6.026 6.691 ( 3.390 1.551 -0.283) 3.738 6.863 ( 1.247 0.460 1.750) 2.198 6.943 ( -2.561 0.567 -1.813) 3.189 7.020 ( -0.190 0.685 0.238) 0.750 7.250 ( 2.439 0.266 -0.105) 2.456 7.325 ( 4.043 -0.093 0.153) 4.047 7.442 ( -4.979 -0.510 -0.143) 5.007 7.470 ( -2.640 -1.352 0.127) 2.969 7.830 ( -0.563 -0.760 0.088) 0.950 7.884 ( -0.040 -0.250 0.102) 0.273 7.933 ( -0.461 1.240 -0.277) 1.352 7.990 ( -0.082 -1.056 -0.011) 1.059 8.215 ( -0.260 1.849 -0.324) 1.895 8.292 ( 0.744 0.728 0.766) 1.292 8.380 ( 0.614 -0.293 0.796) 1.047 8.385 ( -0.100 -0.790 -0.696) 1.058 8.558 ( 0.543 0.016 -0.492) 0.733 8.605 ( 0.352 1.653 -0.047) 1.691 8.641 ( -0.964 0.844 0.497) 1.374 8.654 ( -0.969 0.145 -0.308) 1.027 9.308 ( -1.704 0.424 0.037) 1.756 9.372 ( -1.427 0.958 -0.465) 1.781 9.403 ( 2.023 -2.129 0.726) 3.026 9.538 ( 1.574 -0.908 -0.969) 2.059 9.612 ( 1.063 -1.168 1.411) 2.117 9.642 ( -0.536 -2.716 -0.411) 2.799 9.847 ( 2.426 4.190 -0.119) 4.843 9.914 ( 2.870 1.914 -0.502) 3.486 10.377 ( -1.492 -1.043 0.695) 1.948 10.455 ( -0.830 -0.987 -0.485) 1.378 10.562 ( -0.823 -2.068 -0.298) 2.245 10.606 ( -1.825 -0.548 0.330) 1.933 ======================= Grid point 24 (18/70) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -1.351 2.176 -1.376) 2.908 0.523 ( 0.438 3.905 0.443) 3.954 0.680 ( 0.449 0.082 -1.186) 1.271 0.693 ( 5.518 2.410 0.131) 6.023 0.786 ( -1.949 2.694 0.101) 3.327 0.859 ( 1.430 0.027 1.526) 2.092 0.874 ( -0.051 -1.042 1.374) 1.725 0.954 ( 0.265 1.449 0.275) 1.498 0.998 ( 3.053 -0.540 -0.072) 3.101 1.064 ( -1.973 0.900 0.034) 2.169 1.090 ( -1.016 -1.432 -0.048) 1.756 1.146 ( 1.105 1.113 0.682) 1.710 1.183 ( -0.375 -2.274 -1.836) 2.946 1.216 ( 0.047 -0.679 -0.256) 0.727 1.322 ( 0.475 4.480 -1.156) 4.651 1.373 ( 1.935 0.623 0.551) 2.106 1.434 ( 4.265 1.803 0.307) 4.640 1.533 ( -4.543 1.009 0.661) 4.700 1.639 ( 1.523 2.517 1.215) 3.183 1.654 ( 2.540 0.347 -0.357) 2.589 1.686 ( 0.909 -4.185 -0.113) 4.284 1.717 ( 0.681 -0.809 -3.092) 3.268 1.794 ( -3.215 -4.812 0.289) 5.795 1.851 ( -0.675 0.159 2.149) 2.258 1.936 ( -2.853 -0.017 0.507) 2.898 1.948 ( -4.051 0.304 -0.393) 4.081 1.990 ( -1.780 0.356 -1.526) 2.372 2.057 ( -1.381 2.222 0.183) 2.622 2.306 ( 2.161 -0.842 1.146) 2.587 2.346 ( -0.956 -1.472 -1.146) 2.097 2.414 ( -0.053 -2.106 -0.974) 2.321 2.524 ( 4.096 3.446 0.062) 5.353 2.580 ( 1.502 2.227 2.013) 3.357 2.595 ( 0.028 1.540 -2.143) 2.639 2.643 ( -3.052 0.212 3.397) 4.571 2.747 ( 1.056 -2.053 -1.865) 2.968 2.924 ( -2.072 1.230 1.854) 3.040 3.051 ( 3.274 -2.852 -3.333) 5.473 3.170 ( -3.353 1.069 1.285) 3.746 3.355 ( 1.933 -0.082 -0.144) 1.940 3.484 ( -2.213 -0.711 0.432) 2.365 3.683 ( 1.223 -1.846 0.019) 2.214 3.812 ( 0.821 -3.290 0.131) 3.394 3.841 ( -0.202 1.048 -0.293) 1.106 4.290 ( 1.317 -1.502 -0.314) 2.022 4.436 ( 1.255 -1.030 0.806) 1.813 4.474 ( -0.438 -2.220 0.640) 2.351 4.479 ( -1.281 -2.144 -1.076) 2.720 5.746 ( 1.398 0.208 0.026) 1.414 5.819 ( 0.930 -0.668 -0.654) 1.318 5.824 ( -1.574 3.057 0.666) 3.503 5.876 ( -0.685 3.140 -0.035) 3.214 6.708 ( 4.419 0.645 -0.203) 4.471 6.849 ( -3.771 1.261 1.466) 4.238 6.908 ( 1.211 0.956 -1.648) 2.258 6.987 ( -1.824 1.844 0.309) 2.613 7.281 ( 4.360 0.011 -0.011) 4.360 7.369 ( 3.409 -0.198 0.270) 3.425 7.389 ( -4.432 0.465 -0.348) 4.469 7.456 ( -3.953 -0.553 0.151) 3.994 7.841 ( -0.210 -1.017 0.053) 1.040 7.893 ( 0.841 0.292 -0.208) 0.914 7.909 ( -0.989 -0.148 0.114) 1.006 7.999 ( 0.217 0.276 0.064) 0.357 8.189 ( -0.285 0.608 -0.357) 0.761 8.283 ( 0.221 0.823 0.200) 0.875 8.400 ( 0.594 -0.659 0.774) 1.177 8.405 ( 0.125 -1.699 -0.320) 1.734 8.567 ( 0.772 -0.470 -0.945) 1.308 8.588 ( -0.119 0.532 0.454) 0.709 8.632 ( 0.023 -0.330 0.392) 0.513 8.653 ( -0.511 -0.959 -0.181) 1.101 9.278 ( -1.201 1.170 -0.048) 1.677 9.325 ( -1.377 2.534 0.002) 2.884 9.449 ( 1.349 -0.870 0.392) 1.652 9.552 ( 0.513 -0.060 -1.082) 1.199 9.635 ( 0.340 0.260 1.867) 1.916 9.663 ( -0.237 -0.572 -1.448) 1.575 9.788 ( 0.662 4.161 0.547) 4.248 9.899 ( 1.331 1.823 -0.303) 2.278 10.387 ( -0.673 -1.038 0.311) 1.275 10.472 ( -0.094 -1.371 -0.362) 1.421 10.589 ( -0.378 -1.271 0.150) 1.334 10.626 ( -0.236 -3.013 -0.049) 3.023 ======================= Grid point 25 (19/70) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( -0.000 -2.504 -0.000) 2.504 0.494 ( -0.000 -0.363 -0.000) 0.363 0.663 ( 0.000 2.669 0.000) 2.669 0.721 ( -0.000 -0.872 -0.000) 0.872 0.723 ( 0.000 0.141 0.000) 0.141 0.844 ( 0.000 2.767 0.000) 2.767 0.914 ( -0.000 -0.605 -0.000) 0.605 0.946 ( 0.000 3.504 0.000) 3.504 0.950 ( -0.000 -0.078 -0.000) 0.078 1.082 ( -0.000 -1.159 -0.000) 1.159 1.103 ( -0.000 -1.491 -0.000) 1.491 1.150 ( 0.000 1.207 0.000) 1.207 1.202 ( -0.000 -1.583 -0.000) 1.583 1.231 ( 0.000 0.346 0.000) 0.346 1.244 ( 0.000 3.426 0.000) 3.426 1.332 ( 0.000 3.682 0.000) 3.682 1.415 ( 0.000 4.965 0.000) 4.965 1.475 ( 0.000 1.963 0.000) 1.963 1.587 ( 0.000 3.605 0.000) 3.605 1.633 ( 0.000 1.526 0.000) 1.526 1.703 ( -0.000 -0.382 -0.000) 0.382 1.782 ( 0.000 2.284 0.000) 2.284 1.807 ( -0.000 -3.640 -0.000) 3.640 1.886 ( -0.000 -1.155 -0.000) 1.155 1.946 ( -0.000 -3.833 -0.000) 3.833 1.968 ( -0.000 -4.516 -0.000) 4.516 2.016 ( -0.000 -2.588 -0.000) 2.588 2.037 ( -0.000 -1.972 -0.000) 1.972 2.229 ( 0.000 7.479 0.000) 7.479 2.293 ( 0.000 7.501 0.000) 7.501 2.449 ( -0.000 -1.596 -0.000) 1.596 2.487 ( 0.000 1.114 0.000) 1.114 2.522 ( 0.000 2.768 0.000) 2.768 2.635 ( -0.000 -3.179 -0.000) 3.179 2.636 ( 0.000 1.235 0.000) 1.235 2.787 ( -0.000 -1.704 -0.000) 1.704 2.848 ( 0.000 6.529 0.000) 6.529 3.105 ( -0.000 -1.635 -0.000) 1.635 3.108 ( 0.000 3.465 0.000) 3.465 3.338 ( 0.000 2.946 0.000) 2.946 3.479 ( 0.000 0.162 0.000) 0.162 3.699 ( 0.000 0.174 0.000) 0.174 3.806 ( 0.000 2.123 0.000) 2.123 3.899 ( -0.000 -4.505 -0.000) 4.505 4.279 ( 0.000 3.199 0.000) 3.199 4.444 ( 0.000 1.845 0.000) 1.845 4.454 ( 0.000 2.692 0.000) 2.692 4.506 ( -0.000 -0.686 -0.000) 0.686 5.779 ( 0.000 0.383 0.000) 0.383 5.793 ( -0.000 -4.114 -0.000) 4.114 5.842 ( -0.000 -0.288 -0.000) 0.288 5.880 ( -0.000 -4.507 -0.000) 4.507 6.741 ( -0.000 -0.755 -0.000) 0.755 6.792 ( 0.000 1.292 0.000) 1.292 6.910 ( 0.000 0.143 0.000) 0.143 6.936 ( 0.000 2.152 0.000) 2.152 7.321 ( 0.000 1.367 0.000) 1.367 7.323 ( 0.000 0.048 0.000) 0.048 7.406 ( 0.000 1.294 0.000) 1.294 7.433 ( -0.000 -1.151 -0.000) 1.151 7.866 ( -0.000 -2.035 -0.000) 2.035 7.877 ( 0.000 0.995 0.000) 0.995 7.932 ( -0.000 -1.893 -0.000) 1.893 7.983 ( 0.000 1.485 0.000) 1.485 8.187 ( -0.000 -0.547 -0.000) 0.547 8.280 ( -0.000 -0.415 -0.000) 0.415 8.412 ( -0.000 -0.294 -0.000) 0.294 8.435 ( -0.000 -1.221 -0.000) 1.221 8.583 ( -0.000 -0.422 -0.000) 0.422 8.584 ( -0.000 -0.877 -0.000) 0.877 8.647 ( -0.000 -1.103 -0.000) 1.103 8.677 ( -0.000 -1.818 -0.000) 1.818 9.251 ( 0.000 1.070 0.000) 1.070 9.267 ( 0.000 2.984 0.000) 2.984 9.463 ( 0.000 0.004 0.000) 0.004 9.545 ( 0.000 0.861 0.000) 0.861 9.619 ( 0.000 1.796 0.000) 1.796 9.651 ( 0.000 1.547 0.000) 1.547 9.720 ( 0.000 3.952 0.000) 3.952 9.880 ( 0.000 0.733 0.000) 0.733 10.403 ( -0.000 -1.006 -0.000) 1.006 10.492 ( -0.000 -0.945 -0.000) 0.945 10.611 ( -0.000 -1.383 -0.000) 1.383 10.683 ( -0.000 -3.025 -0.000) 3.025 ======================= Grid point 30 (20/70) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 3.888 -0.000 4.318) 5.811 0.636 ( 1.702 -0.000 0.900) 1.925 0.705 ( 5.969 -0.000 -0.810) 6.024 0.727 ( 1.002 -0.000 -2.515) 2.707 0.790 ( 4.059 -0.000 -0.664) 4.112 0.835 ( 5.822 -0.000 3.172) 6.630 0.924 ( 2.461 -0.000 -1.177) 2.728 0.959 ( 2.129 -0.000 2.615) 3.372 1.037 ( 2.295 -0.000 -0.326) 2.318 1.064 ( -0.555 0.000 -0.544) 0.778 1.128 ( -1.595 0.000 0.788) 1.779 1.177 ( 0.751 -0.000 -0.001) 0.751 1.207 ( 1.310 -0.000 -1.116) 1.721 1.215 ( -1.598 0.000 1.739) 2.362 1.283 ( 2.315 -0.000 -2.399) 3.334 1.307 ( 2.989 -0.000 0.122) 2.991 1.433 ( 3.119 -0.000 1.655) 3.531 1.458 ( 0.915 -0.000 -3.442) 3.562 1.494 ( -3.723 0.000 2.029) 4.239 1.608 ( 4.352 -0.000 -0.723) 4.411 1.618 ( 0.159 -0.000 -2.843) 2.847 1.769 ( -2.444 0.000 1.385) 2.809 1.801 ( 0.209 -0.000 0.575) 0.611 1.844 ( -2.304 0.000 1.373) 2.682 1.928 ( -5.976 0.000 -0.748) 6.022 1.948 ( -2.910 0.000 0.238) 2.920 2.059 ( 2.972 -0.000 -4.171) 5.121 2.082 ( 6.731 -0.000 3.245) 7.472 2.285 ( 0.936 -0.000 -1.295) 1.598 2.342 ( -4.434 0.000 0.738) 4.495 2.406 ( 4.092 -0.000 -1.684) 4.425 2.463 ( 4.019 -0.000 0.949) 4.129 2.497 ( 0.871 -0.000 -0.404) 0.960 2.518 ( 3.030 -0.000 -0.825) 3.141 2.671 ( -0.753 0.000 -0.321) 0.818 2.699 ( -0.819 0.000 4.352) 4.428 2.766 ( 7.085 -0.000 -5.157) 8.763 2.893 ( -5.017 0.000 2.738) 5.715 3.029 ( 0.523 -0.000 1.653) 1.734 3.128 ( 4.628 -0.000 -0.952) 4.725 3.429 ( 0.723 -0.000 -0.177) 0.744 3.721 ( -3.522 0.000 -0.974) 3.654 3.735 ( 1.835 -0.000 -3.748) 4.173 3.767 ( 0.262 -0.000 10.284) 10.287 3.999 ( 1.536 -0.000 -6.569) 6.747 4.145 ( -3.865 0.000 -1.614) 4.189 4.266 ( 3.446 -0.000 1.152) 3.634 4.343 ( 0.145 -0.000 1.647) 1.654 5.934 ( 1.735 -0.000 -0.407) 1.782 5.963 ( 1.627 -0.000 0.359) 1.666 6.152 ( 1.030 -0.000 -0.998) 1.434 6.202 ( 1.866 -0.000 1.084) 2.158 6.778 ( -1.545 0.000 -2.095) 2.603 6.830 ( 1.669 -0.000 2.986) 3.421 6.965 ( 1.333 -0.000 1.288) 1.854 6.976 ( -0.114 0.000 -2.233) 2.236 7.289 ( 2.555 -0.000 -0.439) 2.592 7.290 ( 0.451 -0.000 0.413) 0.612 7.381 ( -2.697 0.000 0.375) 2.723 7.399 ( 0.045 -0.000 -0.599) 0.601 7.802 ( -1.477 0.000 0.155) 1.485 7.899 ( -0.309 0.000 0.388) 0.495 7.941 ( -2.079 0.000 -0.428) 2.123 7.952 ( -0.707 0.000 -0.537) 0.888 8.282 ( 0.362 -0.000 0.633) 0.729 8.323 ( 1.414 -0.000 3.305) 3.595 8.378 ( -0.845 0.000 -2.261) 2.414 8.404 ( 0.505 -0.000 -0.493) 0.706 8.613 ( 0.798 -0.000 -1.314) 1.537 8.687 ( -0.472 0.000 0.735) 0.874 8.709 ( 0.044 -0.000 0.735) 0.736 8.713 ( -1.423 0.000 -0.487) 1.504 9.294 ( 1.385 -0.000 -0.205) 1.401 9.298 ( -2.698 0.000 -0.003) 2.698 9.350 ( -2.751 0.000 0.546) 2.805 9.421 ( 1.050 -0.000 -1.452) 1.792 9.524 ( 0.880 -0.000 2.428) 2.582 9.548 ( 1.954 -0.000 -1.152) 2.269 9.906 ( 4.828 -0.000 4.184) 6.388 9.988 ( 5.249 -0.000 -6.800) 8.590 10.364 ( -3.792 0.000 2.200) 4.384 10.448 ( -1.273 0.000 -0.715) 1.460 10.537 ( -2.009 0.000 -0.446) 2.058 10.626 ( -2.729 0.000 0.649) 2.806 ======================= Grid point 31 (21/70) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 0.285 2.713 0.805) 2.844 0.655 ( 1.557 -0.646 0.080) 1.688 0.712 ( 1.122 1.252 -0.140) 1.687 0.764 ( 3.564 0.619 0.238) 3.625 0.830 ( 4.136 -0.225 -0.980) 4.257 0.893 ( 2.332 2.479 0.142) 3.407 0.914 ( 3.189 -0.731 3.232) 4.599 0.986 ( 0.735 0.822 -0.756) 1.337 1.008 ( 2.542 2.001 1.380) 3.518 1.054 ( 0.159 2.040 0.494) 2.105 1.099 ( -0.112 3.544 -0.344) 3.563 1.135 ( -2.378 -1.162 0.036) 2.647 1.223 ( -1.539 -1.260 0.961) 2.209 1.263 ( -0.208 -2.341 -0.494) 2.402 1.328 ( 0.132 -1.938 -0.911) 2.146 1.359 ( 5.511 -1.922 -1.409) 6.004 1.423 ( 0.995 0.741 0.174) 1.253 1.455 ( 0.386 -0.595 -1.720) 1.860 1.484 ( 1.444 0.225 -0.392) 1.513 1.615 ( -0.566 -1.057 -0.703) 1.390 1.641 ( 0.174 1.098 0.925) 1.447 1.720 ( -0.439 2.220 1.633) 2.791 1.808 ( -2.763 0.336 -1.357) 3.096 1.840 ( -3.779 -4.214 1.239) 5.794 1.895 ( -4.576 -0.928 0.751) 4.730 1.945 ( 1.381 -0.641 -0.529) 1.612 2.061 ( 1.118 -0.217 -3.159) 3.358 2.163 ( 2.120 -0.352 3.204) 3.858 2.264 ( 1.276 0.113 -1.050) 1.656 2.304 ( -2.643 2.312 -0.934) 3.633 2.374 ( 1.325 5.270 -1.686) 5.690 2.468 ( 2.900 0.658 0.002) 2.974 2.542 ( 3.208 -3.082 -0.405) 4.467 2.585 ( -0.158 -1.489 2.048) 2.537 2.685 ( 3.644 -1.371 -0.708) 3.957 2.697 ( -1.546 -1.555 1.445) 2.626 2.848 ( 0.188 -2.193 -0.533) 2.265 2.879 ( 1.448 -1.683 -0.606) 2.301 3.061 ( 0.023 -2.573 2.123) 3.336 3.192 ( 3.480 -3.012 -0.746) 4.662 3.446 ( 1.046 -1.010 0.494) 1.535 3.602 ( -2.670 5.069 -1.556) 5.936 3.764 ( 0.933 -0.790 1.020) 1.592 3.887 ( -0.613 -5.323 6.006) 8.049 3.986 ( 3.125 -1.075 -6.242) 7.063 4.152 ( -3.970 -5.403 -2.165) 7.045 4.318 ( 2.263 -2.030 1.369) 3.334 4.361 ( 0.235 -1.142 0.874) 1.458 5.923 ( 1.345 2.781 0.009) 3.089 5.946 ( 0.568 3.297 -0.048) 3.346 6.120 ( 0.441 4.000 -0.547) 4.061 6.180 ( 1.031 4.431 0.595) 4.588 6.745 ( 0.107 1.312 -1.067) 1.694 6.863 ( 0.997 -0.471 2.989) 3.186 6.959 ( 0.314 0.535 -2.448) 2.525 6.999 ( 1.201 -1.440 0.479) 1.935 7.273 ( 0.260 1.207 -0.169) 1.246 7.318 ( 2.358 -0.417 0.352) 2.420 7.381 ( -3.070 -2.339 -0.187) 3.864 7.411 ( -0.970 -1.437 -0.102) 1.737 7.797 ( -1.123 -0.781 0.141) 1.375 7.893 ( -0.248 0.430 0.368) 0.618 7.931 ( -1.539 -1.178 -0.652) 2.045 7.950 ( -0.728 -0.554 -0.250) 0.948 8.280 ( 0.418 1.064 0.971) 1.500 8.331 ( 0.780 1.477 1.280) 2.104 8.371 ( 0.118 -0.588 -0.187) 0.628 8.396 ( 0.288 0.976 -1.065) 1.473 8.604 ( 1.070 1.372 -0.709) 1.879 8.669 ( -0.543 1.888 -0.393) 2.003 8.680 ( -1.130 1.599 -0.033) 1.958 8.698 ( -0.507 1.282 0.732) 1.561 9.283 ( -1.785 -0.974 -0.206) 2.044 9.322 ( 1.029 -1.755 0.193) 2.043 9.346 ( -1.521 -1.799 0.017) 2.356 9.469 ( 1.321 -3.917 -0.856) 4.222 9.543 ( 0.270 -0.489 1.872) 1.954 9.567 ( 1.327 -0.820 -0.684) 1.704 9.950 ( 3.311 1.009 2.702) 4.391 9.992 ( 3.896 2.106 -4.233) 6.126 10.342 ( -2.959 -0.659 1.409) 3.343 10.435 ( -1.209 -0.207 -0.619) 1.374 10.522 ( -1.537 -0.270 -0.203) 1.573 10.605 ( -1.837 0.163 0.385) 1.884 ======================= Grid point 32 (22/70) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -0.283 5.183 -0.469) 5.211 0.673 ( 0.198 1.209 0.643) 1.383 0.709 ( 1.091 0.512 -0.867) 1.485 0.756 ( 3.342 1.514 0.542) 3.709 0.842 ( -0.184 0.393 -0.915) 1.013 0.871 ( 1.519 2.555 0.616) 3.035 0.939 ( -0.524 2.422 3.096) 3.966 0.947 ( 0.050 3.830 0.060) 3.831 1.000 ( 4.127 -0.039 0.497) 4.157 1.056 ( -0.123 -1.415 -1.331) 1.946 1.089 ( 0.839 -0.898 0.469) 1.315 1.147 ( -1.499 -2.739 -0.175) 3.127 1.190 ( -2.209 3.420 -0.615) 4.118 1.260 ( 0.641 3.419 2.401) 4.226 1.322 ( 0.180 -2.095 -3.758) 4.307 1.448 ( 2.874 1.904 -0.141) 3.450 1.463 ( 1.635 -2.240 0.261) 2.786 1.489 ( 0.637 -1.378 -1.007) 1.822 1.509 ( 2.176 -5.299 0.215) 5.733 1.591 ( -0.324 1.393 -0.246) 1.451 1.654 ( -2.536 -3.809 1.849) 4.935 1.705 ( 0.623 0.653 0.899) 1.274 1.754 ( -1.860 1.825 -1.233) 2.883 1.876 ( -0.593 0.580 0.217) 0.857 1.899 ( -0.690 -2.322 -0.224) 2.432 1.963 ( -3.303 -2.460 1.072) 4.255 2.078 ( 0.800 -1.055 -1.185) 1.777 2.158 ( -0.238 -0.183 -0.135) 0.329 2.201 ( -2.415 4.890 -1.031) 5.550 2.270 ( -0.286 4.839 -1.112) 4.973 2.323 ( 2.313 -2.778 0.221) 3.622 2.521 ( 1.170 -3.339 0.543) 3.579 2.586 ( 1.692 -0.074 0.097) 1.697 2.613 ( -0.439 -1.445 0.445) 1.575 2.698 ( 0.745 0.100 1.870) 2.015 2.762 ( 1.565 -0.770 -1.398) 2.235 2.866 ( -2.532 -3.165 1.230) 4.236 2.932 ( 2.390 -1.567 -1.646) 3.298 3.124 ( -0.335 -3.416 0.989) 3.572 3.281 ( 2.080 -3.754 -0.054) 4.292 3.479 ( -0.092 0.582 1.345) 1.468 3.527 ( -1.329 -2.285 -1.611) 3.096 3.781 ( 0.413 0.031 0.477) 0.632 3.894 ( -0.392 1.491 -0.847) 1.759 4.118 ( 3.840 -6.862 1.054) 7.934 4.236 ( -3.272 -8.885 -1.822) 9.642 4.377 ( 0.229 -2.543 1.231) 2.834 4.391 ( 0.541 -1.816 -0.163) 1.901 5.863 ( 0.634 5.068 0.247) 5.113 5.877 ( 0.093 3.756 -0.245) 3.765 6.024 ( -0.382 6.371 -0.207) 6.386 6.082 ( 0.249 6.903 0.202) 6.910 6.734 ( 1.446 0.607 -0.510) 1.649 6.881 ( -0.256 0.341 2.840) 2.871 6.942 ( 0.617 0.746 -2.759) 2.924 7.024 ( -0.117 -0.162 0.372) 0.422 7.277 ( 2.859 -0.174 -0.162) 2.869 7.350 ( 1.601 -0.764 0.767) 1.933 7.378 ( -3.740 -1.264 -0.728) 4.015 7.424 ( -1.828 -1.206 0.131) 2.194 7.808 ( -0.471 -1.170 0.067) 1.263 7.885 ( -0.065 0.367 0.187) 0.417 7.940 ( -0.351 -0.298 -0.588) 0.747 7.958 ( -0.578 -1.583 0.161) 1.693 8.254 ( 0.121 2.317 0.238) 2.332 8.318 ( 0.809 0.930 0.598) 1.370 8.371 ( -0.580 0.520 -0.786) 1.107 8.389 ( 0.580 -0.206 0.446) 0.760 8.582 ( 0.992 2.153 -0.029) 2.370 8.626 ( -1.006 0.714 -0.820) 1.482 8.650 ( 0.074 1.381 0.349) 1.426 8.665 ( -0.784 1.820 0.242) 1.996 9.288 ( -1.057 -0.968 -0.142) 1.441 9.362 ( -0.883 -0.866 0.451) 1.317 9.378 ( 1.313 -2.889 -0.230) 3.182 9.538 ( 2.184 -0.851 -1.287) 2.674 9.571 ( -1.529 -3.582 2.004) 4.380 9.598 ( 0.713 -1.830 -0.559) 2.042 9.937 ( 1.574 3.622 -0.121) 3.951 9.974 ( 2.051 2.050 -0.441) 2.933 10.344 ( -1.320 -1.355 0.552) 1.970 10.431 ( -0.685 -0.681 -0.314) 1.015 10.521 ( -0.794 -1.261 -0.103) 1.494 10.589 ( -0.987 0.102 0.156) 1.005 ======================= Grid point 33 (23/70) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 0.000 5.832 0.000) 5.832 0.613 ( 0.000 5.215 0.000) 5.215 0.688 ( 0.000 1.126 0.000) 1.126 0.772 ( 0.000 1.980 0.000) 1.980 0.816 ( 0.000 1.569 0.000) 1.569 0.856 ( -0.000 -0.887 -0.000) 0.887 0.883 ( 0.000 2.672 0.000) 2.672 0.929 ( -0.000 -1.723 -0.000) 1.723 1.029 ( 0.000 0.867 0.000) 0.867 1.073 ( -0.000 -0.707 -0.000) 0.707 1.096 ( 0.000 1.226 0.000) 1.226 1.140 ( -0.000 -0.629 -0.000) 0.629 1.184 ( 0.000 1.950 0.000) 1.950 1.189 ( -0.000 -0.104 -0.000) 0.104 1.364 ( -0.000 -2.463 -0.000) 2.463 1.402 ( 0.000 4.221 0.000) 4.221 1.488 ( -0.000 -0.045 -0.000) 0.045 1.503 ( 0.000 0.118 0.000) 0.118 1.608 ( -0.000 -3.167 -0.000) 3.167 1.631 ( -0.000 -6.002 -0.000) 6.002 1.689 ( 0.000 0.768 0.000) 0.768 1.708 ( -0.000 -1.064 -0.000) 1.064 1.721 ( 0.000 0.261 0.000) 0.261 1.860 ( 0.000 0.694 0.000) 0.694 1.911 ( -0.000 -1.251 -0.000) 1.251 1.959 ( 0.000 2.194 0.000) 2.194 2.032 ( 0.000 5.001 0.000) 5.001 2.104 ( 0.000 3.873 0.000) 3.873 2.226 ( -0.000 -6.443 -0.000) 6.443 2.270 ( -0.000 -4.544 -0.000) 4.544 2.379 ( -0.000 -2.214 -0.000) 2.214 2.584 ( 0.000 1.092 0.000) 1.092 2.587 ( -0.000 -2.831 -0.000) 2.831 2.633 ( -0.000 -0.146 -0.000) 0.146 2.682 ( 0.000 4.098 0.000) 4.098 2.731 ( 0.000 1.787 0.000) 1.787 2.908 ( -0.000 -1.948 -0.000) 1.948 2.992 ( -0.000 -4.214 -0.000) 4.214 3.163 ( -0.000 -0.905 -0.000) 0.905 3.346 ( -0.000 -2.193 -0.000) 2.193 3.461 ( -0.000 -0.197 -0.000) 0.197 3.613 ( -0.000 -5.852 -0.000) 5.852 3.782 ( -0.000 -0.306 -0.000) 0.306 3.865 ( 0.000 1.441 0.000) 1.441 4.240 ( -0.000 -4.782 -0.000) 4.782 4.375 ( -0.000 -7.608 -0.000) 7.608 4.419 ( -0.000 -2.127 -0.000) 2.127 4.432 ( -0.000 -2.351 -0.000) 2.351 5.785 ( 0.000 3.586 0.000) 3.586 5.826 ( 0.000 1.797 0.000) 1.797 5.906 ( 0.000 6.209 0.000) 6.209 5.963 ( 0.000 6.390 0.000) 6.390 6.737 ( 0.000 0.199 0.000) 0.199 6.861 ( 0.000 1.781 0.000) 1.781 6.929 ( 0.000 0.736 0.000) 0.736 7.009 ( 0.000 1.436 0.000) 1.436 7.312 ( -0.000 -0.579 -0.000) 0.579 7.348 ( 0.000 0.003 0.000) 0.003 7.393 ( -0.000 -1.151 -0.000) 1.151 7.420 ( -0.000 -0.253 -0.000) 0.253 7.824 ( -0.000 -0.876 -0.000) 0.876 7.884 ( -0.000 -0.433 -0.000) 0.433 7.927 ( 0.000 1.261 0.000) 1.261 7.988 ( -0.000 -1.527 -0.000) 1.527 8.213 ( 0.000 2.156 0.000) 2.156 8.306 ( 0.000 1.299 0.000) 1.299 8.372 ( -0.000 -1.367 -0.000) 1.367 8.396 ( -0.000 -0.328 -0.000) 0.328 8.562 ( 0.000 0.256 0.000) 0.256 8.613 ( 0.000 1.279 0.000) 1.279 8.630 ( 0.000 0.523 0.000) 0.523 8.640 ( 0.000 0.068 0.000) 0.068 9.289 ( 0.000 0.408 0.000) 0.408 9.354 ( 0.000 1.279 0.000) 1.279 9.432 ( -0.000 -2.108 -0.000) 2.108 9.548 ( -0.000 -0.252 -0.000) 0.252 9.625 ( -0.000 -2.101 -0.000) 2.101 9.636 ( -0.000 -1.951 -0.000) 1.951 9.870 ( 0.000 4.481 0.000) 4.481 9.944 ( 0.000 2.359 0.000) 2.359 10.363 ( -0.000 -1.285 -0.000) 1.285 10.445 ( -0.000 -1.323 -0.000) 1.323 10.553 ( -0.000 -2.525 -0.000) 2.525 10.588 ( -0.000 -0.750 -0.000) 0.750 ======================= Grid point 41 (24/70) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 0.192 -0.000 1.124) 1.141 0.667 ( 0.924 -0.000 0.550) 1.075 0.717 ( 0.044 -0.000 -1.375) 1.376 0.787 ( 2.660 -0.000 -0.429) 2.694 0.864 ( 3.458 -0.000 -0.300) 3.471 0.938 ( -0.484 0.000 -0.907) 1.028 0.940 ( 1.964 -0.000 0.269) 1.983 1.024 ( 2.259 -0.000 4.335) 4.889 1.036 ( -0.914 0.000 0.041) 0.915 1.067 ( 0.674 -0.000 -0.513) 0.847 1.080 ( -2.515 0.000 -0.284) 2.531 1.172 ( -0.896 0.000 0.352) 0.962 1.194 ( -1.055 0.000 0.264) 1.088 1.212 ( -0.024 0.000 0.062) 0.066 1.317 ( 2.928 -0.000 -1.419) 3.254 1.383 ( 4.244 -0.000 -0.470) 4.270 1.445 ( -0.180 0.000 -1.464) 1.475 1.450 ( -0.725 0.000 -0.557) 0.914 1.452 ( -2.001 0.000 0.884) 2.187 1.618 ( -2.556 0.000 -0.110) 2.558 1.643 ( 2.858 -0.000 -1.537) 3.245 1.743 ( -0.596 0.000 1.182) 1.323 1.773 ( -4.280 0.000 2.107) 4.771 1.787 ( -1.250 0.000 0.208) 1.268 1.869 ( 0.651 -0.000 -0.246) 0.696 1.959 ( 1.870 -0.000 -0.351) 1.902 2.047 ( -1.118 0.000 -2.707) 2.929 2.192 ( 0.551 -0.000 3.610) 3.652 2.272 ( 0.684 -0.000 -3.098) 3.173 2.286 ( -1.691 0.000 0.991) 1.961 2.477 ( 3.254 -0.000 -2.946) 4.390 2.502 ( -0.649 0.000 2.895) 2.967 2.510 ( 0.723 -0.000 0.444) 0.849 2.579 ( 3.844 -0.000 -1.791) 4.240 2.670 ( -3.088 0.000 2.026) 3.693 2.690 ( 3.023 -0.000 -0.857) 3.142 2.815 ( -4.431 0.000 1.532) 4.689 2.881 ( 4.996 -0.000 -2.192) 5.456 3.049 ( 0.160 -0.000 1.627) 1.635 3.187 ( 1.859 -0.000 -0.572) 1.945 3.450 ( 1.100 -0.000 0.036) 1.100 3.660 ( -1.903 0.000 -0.451) 1.956 3.759 ( 2.715 -0.000 -2.130) 3.451 3.818 ( -2.434 0.000 6.596) 7.031 3.988 ( 2.700 -0.000 -4.065) 4.880 4.063 ( -3.436 0.000 -1.248) 3.656 4.325 ( 1.700 -0.000 1.015) 1.980 4.354 ( -0.021 0.000 0.309) 0.309 5.959 ( 0.855 -0.000 -0.050) 0.856 5.984 ( 0.489 -0.000 0.055) 0.492 6.160 ( 0.371 -0.000 -0.417) 0.558 6.233 ( 0.764 -0.000 0.413) 0.868 6.746 ( -0.637 0.000 -0.757) 0.990 6.883 ( 1.279 -0.000 2.730) 3.015 6.955 ( -0.182 0.000 -2.470) 2.477 6.999 ( 1.280 -0.000 0.463) 1.361 7.284 ( -0.608 0.000 0.005) 0.608 7.328 ( -1.805 0.000 1.165) 2.148 7.332 ( 1.139 -0.000 -1.166) 1.630 7.398 ( 0.056 -0.000 -0.047) 0.073 7.780 ( -0.780 0.000 0.085) 0.785 7.896 ( -0.242 0.000 0.298) 0.384 7.902 ( -1.215 0.000 -0.400) 1.279 7.939 ( -0.270 0.000 -0.201) 0.337 8.300 ( 0.591 -0.000 1.115) 1.262 8.349 ( -0.594 0.000 -1.729) 1.828 8.369 ( 0.842 -0.000 2.399) 2.543 8.405 ( 0.278 -0.000 -1.168) 1.200 8.619 ( 0.446 -0.000 -0.728) 0.854 8.688 ( -0.758 0.000 -0.084) 0.763 8.691 ( 0.534 -0.000 0.089) 0.542 8.707 ( -0.649 0.000 0.443) 0.785 9.261 ( -0.994 0.000 -0.083) 0.998 9.309 ( 0.620 -0.000 -1.557) 1.676 9.317 ( -1.189 0.000 1.683) 2.061 9.427 ( 0.306 -0.000 -0.379) 0.487 9.554 ( 0.618 -0.000 1.025) 1.197 9.568 ( 0.750 -0.000 -0.511) 0.908 9.993 ( 1.845 -0.000 1.727) 2.527 10.027 ( 2.239 -0.000 -2.699) 3.507 10.315 ( -2.061 0.000 0.947) 2.268 10.421 ( -0.814 0.000 -0.369) 0.894 10.510 ( -0.670 0.000 -0.141) 0.685 10.595 ( -0.916 0.000 0.259) 0.952 ======================= Grid point 42 (25/70) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.000 3.421 0.000) 3.421 0.671 ( -0.000 -0.234 -0.000) 0.234 0.725 ( -0.000 -0.034 -0.000) 0.034 0.799 ( 0.000 0.920 0.000) 0.920 0.855 ( 0.000 1.809 0.000) 1.809 0.914 ( 0.000 1.593 0.000) 1.593 0.962 ( -0.000 -0.699 -0.000) 0.699 0.995 ( 0.000 1.188 0.000) 1.188 1.045 ( 0.000 0.831 0.000) 0.831 1.073 ( 0.000 4.548 0.000) 4.548 1.085 ( -0.000 -2.457 -0.000) 2.457 1.101 ( 0.000 1.378 0.000) 1.378 1.209 ( -0.000 -0.669 -0.000) 0.669 1.257 ( -0.000 -2.919 -0.000) 2.919 1.322 ( 0.000 1.467 0.000) 1.467 1.438 ( -0.000 -2.026 -0.000) 2.026 1.444 ( -0.000 -2.084 -0.000) 2.084 1.453 ( -0.000 -1.839 -0.000) 1.839 1.467 ( -0.000 -1.723 -0.000) 1.723 1.593 ( 0.000 0.499 0.000) 0.499 1.641 ( 0.000 1.781 0.000) 1.781 1.725 ( 0.000 1.646 0.000) 1.646 1.768 ( 0.000 0.961 0.000) 0.961 1.802 ( -0.000 -5.123 -0.000) 5.123 1.889 ( -0.000 -1.015 -0.000) 1.015 1.949 ( 0.000 1.873 0.000) 1.873 2.046 ( -0.000 -1.380 -0.000) 1.380 2.189 ( 0.000 1.132 0.000) 1.132 2.254 ( 0.000 3.158 0.000) 3.158 2.291 ( -0.000 -2.027 -0.000) 2.027 2.390 ( 0.000 7.429 0.000) 7.429 2.487 ( -0.000 -0.862 -0.000) 0.862 2.586 ( 0.000 0.135 0.000) 0.135 2.592 ( -0.000 -2.931 -0.000) 2.931 2.668 ( -0.000 -1.475 -0.000) 1.475 2.750 ( -0.000 -2.849 -0.000) 2.849 2.798 ( -0.000 -1.742 -0.000) 1.742 2.923 ( -0.000 -1.388 -0.000) 1.388 3.073 ( -0.000 -2.264 -0.000) 2.264 3.224 ( -0.000 -3.183 -0.000) 3.183 3.466 ( -0.000 -1.427 -0.000) 1.427 3.561 ( 0.000 6.123 0.000) 6.123 3.780 ( -0.000 -0.657 -0.000) 0.657 3.889 ( -0.000 -2.865 -0.000) 2.865 4.044 ( -0.000 -6.675 -0.000) 6.675 4.065 ( -0.000 -3.133 -0.000) 3.133 4.348 ( -0.000 -1.361 -0.000) 1.361 4.365 ( -0.000 -1.272 -0.000) 1.272 5.937 ( 0.000 2.827 0.000) 2.827 5.952 ( 0.000 3.753 0.000) 3.753 6.121 ( 0.000 4.338 0.000) 4.338 6.193 ( 0.000 4.833 0.000) 4.833 6.741 ( 0.000 0.041 0.000) 0.041 6.893 ( 0.000 0.259 0.000) 0.259 6.947 ( 0.000 0.210 0.000) 0.210 7.016 ( -0.000 -0.771 -0.000) 0.771 7.285 ( -0.000 -0.535 -0.000) 0.535 7.325 ( -0.000 -0.794 -0.000) 0.794 7.350 ( -0.000 -1.104 -0.000) 1.104 7.403 ( -0.000 -0.476 -0.000) 0.476 7.785 ( -0.000 -0.972 -0.000) 0.972 7.892 ( 0.000 0.333 0.000) 0.333 7.911 ( -0.000 -1.595 -0.000) 1.595 7.942 ( -0.000 -0.441 -0.000) 0.441 8.291 ( 0.000 1.524 0.000) 1.524 8.335 ( 0.000 0.601 0.000) 0.601 8.384 ( -0.000 -0.547 -0.000) 0.547 8.389 ( 0.000 1.469 0.000) 1.469 8.618 ( 0.000 0.093 0.000) 0.093 8.647 ( 0.000 3.395 0.000) 3.395 8.682 ( 0.000 1.580 0.000) 1.580 8.691 ( 0.000 1.338 0.000) 1.338 9.264 ( -0.000 -0.911 -0.000) 0.911 9.330 ( -0.000 -2.051 -0.000) 2.051 9.334 ( -0.000 -2.170 -0.000) 2.170 9.478 ( -0.000 -4.804 -0.000) 4.804 9.554 ( 0.000 0.427 0.000) 0.427 9.577 ( -0.000 -0.775 -0.000) 0.775 9.992 ( 0.000 1.563 0.000) 1.563 10.016 ( 0.000 1.715 0.000) 1.715 10.316 ( -0.000 -1.015 -0.000) 1.015 10.419 ( -0.000 -0.273 -0.000) 0.273 10.506 ( -0.000 -0.136 -0.000) 0.136 10.589 ( 0.000 0.214 0.000) 0.214 ======================= Grid point 85 (26/70) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( -0.445 0.000 10.681) 10.690 0.281 ( -0.580 0.000 12.010) 12.024 0.451 ( -3.133 0.000 -6.037) 6.802 0.509 ( 0.792 -0.000 -7.786) 7.826 0.588 ( -0.510 0.000 13.219) 13.229 0.704 ( 2.903 -0.000 -2.465) 3.808 0.729 ( -4.222 0.000 10.677) 11.482 0.852 ( -0.824 0.000 1.184) 1.442 0.890 ( 0.017 -0.000 -1.343) 1.343 0.914 ( 1.407 -0.000 -3.254) 3.545 1.011 ( -1.335 0.000 4.622) 4.811 1.024 ( -5.621 0.000 2.564) 6.178 1.064 ( -1.083 0.000 2.293) 2.536 1.082 ( 1.435 -0.000 1.045) 1.775 1.154 ( 0.894 -0.000 0.077) 0.898 1.235 ( 0.423 -0.000 -2.935) 2.966 1.339 ( -0.535 0.000 1.384) 1.484 1.379 ( 1.470 -0.000 -1.169) 1.878 1.388 ( 0.559 -0.000 -3.270) 3.318 1.534 ( 4.323 -0.000 -13.697) 14.363 1.618 ( 0.675 -0.000 2.704) 2.787 1.655 ( -0.805 0.000 -1.161) 1.413 1.804 ( 1.360 -0.000 0.671) 1.516 1.828 ( -5.369 0.000 -2.115) 5.770 1.993 ( 2.664 -0.000 1.199) 2.921 2.025 ( 0.151 -0.000 -0.358) 0.388 2.155 ( -3.402 0.000 0.231) 3.410 2.157 ( 5.004 -0.000 1.485) 5.219 2.227 ( -0.834 0.000 -1.058) 1.347 2.232 ( -0.384 0.000 -2.321) 2.353 2.327 ( -0.569 0.000 0.673) 0.881 2.329 ( 0.888 -0.000 0.343) 0.952 2.530 ( -2.209 0.000 0.600) 2.289 2.531 ( 1.580 -0.000 0.431) 1.637 2.712 ( 0.239 -0.000 3.470) 3.478 2.748 ( -0.756 0.000 -1.124) 1.354 2.804 ( -3.147 0.000 2.248) 3.868 2.862 ( 2.811 -0.000 -1.706) 3.288 3.006 ( -0.736 0.000 1.186) 1.396 3.041 ( 1.081 -0.000 -1.746) 2.054 3.456 ( 0.988 -0.000 3.953) 4.075 3.568 ( 2.865 -0.000 -6.174) 6.806 3.835 ( 0.111 -0.000 1.505) 1.509 3.876 ( -3.305 0.000 -0.395) 3.328 3.965 ( -0.117 0.000 4.509) 4.510 4.091 ( 1.691 -0.000 -4.981) 5.260 4.288 ( -1.154 0.000 2.803) 3.031 4.338 ( 1.324 -0.000 -1.442) 1.957 5.866 ( 0.262 -0.000 0.066) 0.271 5.869 ( -0.289 0.000 -0.164) 0.333 6.092 ( 1.132 -0.000 1.167) 1.626 6.118 ( -0.898 0.000 -1.031) 1.367 6.809 ( 0.519 -0.000 1.388) 1.482 6.850 ( -0.438 0.000 -2.229) 2.271 6.935 ( -0.427 0.000 1.057) 1.140 6.946 ( 0.068 -0.000 -0.127) 0.145 7.237 ( 3.802 -0.000 1.322) 4.025 7.264 ( -0.427 0.000 0.597) 0.734 7.271 ( -1.617 0.000 -1.461) 2.179 7.280 ( 0.694 -0.000 -0.693) 0.981 7.869 ( -0.433 0.000 1.066) 1.150 7.893 ( 0.492 -0.000 -0.952) 1.072 7.977 ( -0.289 0.000 0.793) 0.844 7.993 ( -0.039 0.000 -0.513) 0.515 8.327 ( -1.166 0.000 0.285) 1.201 8.346 ( 1.619 -0.000 -1.444) 2.169 8.431 ( 0.507 -0.000 1.711) 1.784 8.457 ( 0.114 -0.000 -0.612) 0.623 8.621 ( -1.233 0.000 0.737) 1.437 8.643 ( 1.600 -0.000 -1.240) 2.024 8.747 ( -0.323 0.000 0.652) 0.727 8.760 ( 0.057 -0.000 -0.464) 0.467 9.197 ( 0.204 -0.000 1.275) 1.291 9.226 ( -1.339 0.000 -1.166) 1.775 9.415 ( 0.352 -0.000 1.163) 1.215 9.438 ( 0.345 -0.000 -0.494) 0.602 9.455 ( -0.430 0.000 0.296) 0.522 9.478 ( -2.588 0.000 -1.460) 2.971 9.593 ( -2.993 0.000 1.209) 3.228 9.614 ( 1.820 -0.000 -0.690) 1.947 10.506 ( -0.770 0.000 1.162) 1.395 10.540 ( 1.281 -0.000 -1.846) 2.246 10.695 ( -1.652 0.000 2.435) 2.942 10.744 ( 1.202 -0.000 -1.747) 2.120 ======================= Grid point 86 (27/70) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 1.979 -6.509 6.304) 9.275 0.449 ( 3.079 -9.572 7.511) 12.551 0.509 ( 1.108 -6.803 -2.802) 7.440 0.606 ( 3.927 -7.102 -4.772) 9.414 0.668 ( -1.732 -2.463 -1.454) 3.344 0.755 ( 5.405 -3.118 -0.662) 6.275 0.770 ( 3.931 -0.756 5.087) 6.473 0.854 ( 1.074 2.431 -0.365) 2.683 0.914 ( 1.556 -4.927 -0.136) 5.168 0.930 ( 2.392 -2.657 -1.634) 3.931 0.986 ( -1.871 -0.412 6.261) 6.547 1.014 ( -1.683 1.417 5.376) 5.809 1.084 ( 2.109 -2.423 1.985) 3.776 1.119 ( 3.974 -1.387 -0.214) 4.215 1.179 ( 0.464 -1.358 0.033) 1.435 1.231 ( 1.747 0.171 -3.091) 3.555 1.345 ( -0.425 -0.992 2.028) 2.298 1.388 ( 1.129 -0.038 -3.292) 3.480 1.409 ( 0.459 -3.652 3.136) 4.835 1.605 ( 3.892 -0.982 -2.232) 4.592 1.622 ( -0.355 -0.978 -6.401) 6.485 1.639 ( 0.683 -1.889 -2.795) 3.442 1.726 ( -1.760 1.295 -0.207) 2.195 1.822 ( 4.216 1.537 -0.899) 4.577 1.973 ( -0.516 2.170 4.446) 4.974 2.059 ( -1.647 0.125 -5.467) 5.711 2.135 ( -0.753 -1.176 1.579) 2.107 2.167 ( 2.923 1.290 -0.235) 3.204 2.245 ( -4.468 -1.384 -0.937) 4.770 2.276 ( -1.377 -4.054 1.225) 4.454 2.315 ( 0.449 0.598 -1.112) 1.340 2.376 ( 3.523 -2.995 0.751) 4.685 2.490 ( -2.077 0.682 1.571) 2.692 2.519 ( -0.913 1.630 -0.358) 1.902 2.660 ( 1.068 5.118 2.542) 5.813 2.694 ( 0.720 2.229 -1.375) 2.717 2.806 ( -4.222 -1.343 2.753) 5.216 2.919 ( 3.462 -2.562 -1.257) 4.486 3.055 ( -1.558 -3.599 -0.324) 3.935 3.084 ( 0.510 -4.543 -1.019) 4.684 3.467 ( -0.730 -0.267 3.462) 3.548 3.577 ( 2.943 -0.770 -6.298) 6.994 3.813 ( -2.156 1.104 4.212) 4.859 3.891 ( 0.214 -1.816 -3.616) 4.052 4.006 ( -1.990 -3.980 5.169) 6.820 4.126 ( 2.115 -3.847 -4.530) 6.308 4.315 ( -1.012 -3.075 2.703) 4.217 4.364 ( 0.355 -2.429 -1.543) 2.900 5.873 ( -0.352 0.136 0.402) 0.552 5.897 ( 0.150 -1.009 -1.520) 1.830 6.081 ( -0.172 2.722 0.068) 2.728 6.101 ( 1.526 1.763 -0.205) 2.341 6.806 ( -2.236 1.916 -0.183) 2.950 6.838 ( 0.405 -0.588 -0.454) 0.846 6.919 ( 0.588 1.935 1.075) 2.290 6.945 ( 1.811 0.520 -0.474) 1.942 7.245 ( -0.427 -0.502 0.516) 0.837 7.262 ( -2.965 -1.912 -0.869) 3.634 7.302 ( 2.952 -1.891 0.708) 3.576 7.386 ( 4.791 -4.186 -3.063) 7.061 7.871 ( -0.924 -0.407 1.139) 1.522 7.900 ( 0.264 -0.686 -0.835) 1.112 7.977 ( -0.357 0.285 0.079) 0.464 7.989 ( -0.122 0.147 -0.537) 0.570 8.309 ( -1.301 0.373 0.727) 1.537 8.337 ( -0.961 1.374 -0.108) 1.680 8.401 ( -0.368 1.320 2.758) 3.080 8.437 ( -1.686 1.202 -2.363) 3.142 8.604 ( -1.373 0.618 -0.056) 1.507 8.649 ( 1.927 0.579 -0.956) 2.228 8.742 ( -1.186 0.687 0.576) 1.487 8.752 ( -0.387 0.706 -0.219) 0.835 9.209 ( 1.747 0.327 1.557) 2.363 9.246 ( 4.768 0.266 -2.216) 5.265 9.420 ( -0.712 -0.003 0.723) 1.014 9.466 ( -1.135 -1.870 -0.529) 2.251 9.475 ( 4.072 -0.834 -1.783) 4.523 9.505 ( 2.332 -3.089 0.666) 3.928 9.620 ( -0.277 -3.607 3.123) 4.779 9.708 ( 1.956 -5.401 -4.243) 7.142 10.496 ( -1.136 0.535 0.418) 1.324 10.512 ( -0.610 1.986 0.901) 2.265 10.674 ( -2.363 0.337 2.218) 3.258 10.736 ( -0.348 0.658 -2.258) 2.378 ======================= Grid point 87 (28/70) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.602 -0.997 2.711) 2.950 0.598 ( -0.584 -3.501 -2.032) 4.091 0.600 ( -1.285 -0.670 5.354) 5.547 0.675 ( 0.813 -2.299 -0.981) 2.628 0.756 ( 2.641 -7.149 -0.070) 7.622 0.789 ( -0.025 1.308 0.284) 1.338 0.822 ( 3.517 -2.474 -1.970) 4.730 0.855 ( 2.326 -2.521 -1.720) 3.837 0.920 ( -2.679 1.913 1.907) 3.805 0.969 ( 0.682 0.520 2.764) 2.893 1.049 ( 0.431 -3.257 1.210) 3.501 1.106 ( 3.707 -5.201 -0.966) 6.460 1.133 ( 0.994 -0.528 -0.861) 1.417 1.187 ( 3.090 -0.209 -0.341) 3.115 1.231 ( 4.838 -2.676 -0.084) 5.529 1.260 ( 4.259 -1.267 -0.426) 4.464 1.359 ( -1.782 0.855 -2.107) 2.889 1.390 ( 0.831 -2.802 0.352) 2.944 1.496 ( -3.654 1.065 0.281) 3.816 1.569 ( -0.207 -0.193 3.405) 3.417 1.642 ( -1.081 -8.117 3.972) 9.101 1.727 ( 4.077 -2.449 -1.134) 4.890 1.818 ( 5.709 -4.409 -3.824) 8.164 1.864 ( 5.226 -2.319 -1.176) 5.837 1.924 ( -3.451 1.444 -0.903) 3.848 2.015 ( 1.282 0.413 -1.402) 1.944 2.116 ( -0.306 5.046 -2.092) 5.471 2.152 ( -1.097 -0.213 2.444) 2.687 2.239 ( -2.125 0.110 -1.643) 2.688 2.308 ( 5.189 1.397 -0.184) 5.377 2.344 ( -1.974 -5.022 1.564) 5.618 2.398 ( -3.714 -0.078 -0.136) 3.718 2.473 ( -1.515 -0.245 1.490) 2.139 2.510 ( 1.026 -0.606 -1.957) 2.292 2.641 ( 2.459 -0.000 2.047) 3.199 2.694 ( 1.376 -0.673 -0.811) 1.733 2.807 ( -2.914 -2.307 2.657) 4.569 2.995 ( 5.490 -2.721 -3.339) 6.978 3.090 ( -2.955 -2.687 1.461) 4.253 3.178 ( 0.936 -5.361 -0.762) 5.496 3.486 ( -1.545 -1.831 2.893) 3.757 3.605 ( 1.456 -1.890 -4.638) 5.216 3.795 ( -2.345 0.374 4.764) 5.323 3.887 ( 0.176 0.615 -4.813) 4.855 4.103 ( -2.644 -6.876 4.629) 8.700 4.225 ( 2.741 -5.809 -2.732) 6.980 4.379 ( -1.460 -4.289 -0.172) 4.534 4.416 ( 0.090 -3.585 0.318) 3.600 5.845 ( -1.131 2.157 0.500) 2.486 5.878 ( -0.191 2.744 -0.959) 2.913 6.016 ( 0.258 4.680 1.228) 4.845 6.056 ( 1.038 4.547 -0.964) 4.763 6.725 ( -3.030 3.285 -0.285) 4.478 6.843 ( -1.512 -0.024 0.169) 1.521 6.911 ( 4.032 0.989 0.522) 4.184 6.965 ( 2.738 -0.299 -0.399) 2.783 7.250 ( -0.537 -0.280 0.281) 0.667 7.263 ( -3.631 -1.732 -0.124) 4.025 7.373 ( 3.634 -2.193 0.216) 4.250 7.470 ( 3.765 -1.895 -0.828) 4.296 7.871 ( -1.338 -0.389 1.223) 1.854 7.909 ( -0.373 -0.551 -1.120) 1.303 7.962 ( -0.256 0.912 0.005) 0.948 7.979 ( 0.359 0.970 -0.014) 1.035 8.281 ( -1.078 1.518 -0.821) 2.035 8.303 ( -0.430 2.116 1.149) 2.446 8.388 ( -1.536 0.369 -0.683) 1.721 8.401 ( -0.652 -0.239 0.395) 0.799 8.580 ( -1.539 0.499 -0.360) 1.658 8.649 ( 1.151 0.999 -0.716) 1.684 8.704 ( -1.567 2.087 0.483) 2.654 8.728 ( -0.698 1.309 0.299) 1.513 9.233 ( 2.525 -0.351 0.736) 2.654 9.283 ( 4.696 -0.134 -0.676) 4.746 9.419 ( -1.467 -0.903 0.207) 1.735 9.492 ( -0.904 -2.272 -0.607) 2.519 9.517 ( 2.757 -1.041 -1.938) 3.527 9.589 ( 2.195 -3.454 0.410) 4.113 9.693 ( 0.198 -2.005 2.944) 3.567 9.778 ( 2.407 -2.180 -1.573) 3.608 10.468 ( -1.181 1.361 0.410) 1.848 10.486 ( -0.637 0.616 0.275) 0.928 10.656 ( -2.499 0.111 1.722) 3.037 10.707 ( -1.240 0.685 -2.089) 2.524 ======================= Grid point 88 (29/70) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -0.599 2.734 2.868) 4.007 0.561 ( -1.766 1.786 0.681) 2.603 0.636 ( -1.224 0.241 -1.437) 1.903 0.705 ( 1.422 1.284 3.105) 3.648 0.711 ( -1.656 2.511 -0.594) 3.066 0.854 ( -0.743 -1.276 0.246) 1.497 0.890 ( 1.876 -0.280 -1.257) 2.276 0.914 ( -0.615 -5.215 -2.584) 5.852 0.964 ( 1.161 -5.576 3.024) 6.449 1.008 ( 2.529 -0.002 3.968) 4.705 1.066 ( -0.689 -0.452 -2.379) 2.517 1.126 ( 0.771 0.383 -1.478) 1.710 1.156 ( 0.945 0.801 -2.014) 2.365 1.199 ( 0.059 3.388 0.532) 3.430 1.279 ( 1.981 -1.377 1.373) 2.776 1.321 ( 1.546 -0.620 0.003) 1.666 1.358 ( -0.080 -3.842 -1.022) 3.976 1.416 ( 1.447 -0.300 -0.582) 1.588 1.508 ( 1.180 -1.412 -1.346) 2.280 1.596 ( -0.696 -4.730 2.261) 5.289 1.751 ( -1.475 0.342 -0.293) 1.542 1.795 ( 0.181 -6.405 3.340) 7.226 1.831 ( -4.987 0.711 -2.842) 5.784 1.913 ( 2.276 0.750 -1.176) 2.669 1.957 ( 3.005 -0.731 0.798) 3.194 2.018 ( 1.183 -0.440 -0.730) 1.458 2.105 ( 2.125 4.965 0.778) 5.456 2.114 ( 5.389 -2.237 -0.270) 5.841 2.195 ( -0.609 1.348 -1.062) 1.821 2.339 ( -0.314 0.019 -1.853) 1.879 2.373 ( 0.783 -2.996 1.189) 3.317 2.438 ( -0.186 -0.127 1.845) 1.859 2.479 ( -2.546 -3.554 1.120) 4.513 2.540 ( 3.221 -2.383 -2.724) 4.845 2.685 ( -1.470 -0.463 1.084) 1.884 2.707 ( 2.101 -2.625 -0.723) 3.439 2.838 ( -1.192 -1.005 2.266) 2.750 3.083 ( 2.379 -1.762 -3.189) 4.352 3.126 ( 1.088 -3.955 1.599) 4.403 3.267 ( 0.404 -3.634 -1.323) 3.888 3.525 ( -0.244 -2.807 2.288) 3.630 3.627 ( -1.170 -1.589 -1.636) 2.563 3.789 ( -1.299 0.325 3.173) 3.444 3.852 ( -0.702 0.799 -3.739) 3.888 4.208 ( -2.211 -5.736 2.556) 6.657 4.342 ( 2.278 -4.865 -0.460) 5.392 4.426 ( -1.360 -3.275 -1.920) 4.033 4.483 ( -0.176 -3.206 0.925) 3.341 5.782 ( -1.457 3.827 0.844) 4.181 5.818 ( -0.436 2.053 -1.186) 2.411 5.934 ( 0.584 5.502 1.204) 5.662 5.969 ( 0.255 5.085 -0.842) 5.160 6.651 ( -1.970 2.196 -0.045) 2.951 6.827 ( -1.254 0.055 0.059) 1.257 6.949 ( 3.879 -0.239 0.184) 3.891 6.997 ( 2.879 -0.370 -0.308) 2.919 7.245 ( -0.968 0.489 0.422) 1.163 7.252 ( -3.141 -1.190 -0.223) 3.366 7.444 ( 3.664 -1.845 -0.055) 4.103 7.519 ( 2.134 -0.577 -0.061) 2.212 7.869 ( -1.370 -0.317 1.224) 1.864 7.903 ( -0.900 0.102 -0.515) 1.042 7.949 ( 0.097 0.518 0.115) 0.540 7.963 ( 1.182 1.388 -0.488) 1.887 8.243 ( -0.475 1.744 -0.032) 1.808 8.264 ( -0.257 1.182 -1.697) 2.084 8.383 ( -0.925 -0.479 1.409) 1.752 8.405 ( -0.938 -0.676 0.662) 1.333 8.557 ( -0.957 0.363 -0.608) 1.191 8.624 ( -0.793 1.614 -1.525) 2.358 8.659 ( -0.422 1.806 1.024) 2.119 8.699 ( -0.742 1.184 0.396) 1.452 9.275 ( 3.042 -1.137 0.068) 3.249 9.331 ( 3.827 -0.459 0.720) 3.921 9.423 ( -1.380 -1.032 -0.507) 1.796 9.520 ( -0.861 -1.873 -0.293) 2.082 9.548 ( 1.606 -0.848 -1.615) 2.431 9.664 ( 1.324 -2.807 0.407) 3.130 9.708 ( -0.584 0.082 0.588) 0.833 9.830 ( 2.260 -1.136 0.828) 2.662 10.436 ( -0.994 1.197 0.366) 1.598 10.479 ( -0.145 -0.235 -0.512) 0.582 10.632 ( -2.339 0.583 1.465) 2.821 10.676 ( -1.316 0.634 -1.444) 2.054 ======================= Grid point 90 (30/70) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -1.062 0.423 2.885) 3.103 0.521 ( 0.434 2.155 1.737) 2.802 0.578 ( -4.345 2.340 0.060) 4.936 0.649 ( 1.470 0.775 -2.565) 3.056 0.732 ( 0.400 -0.777 2.218) 2.384 0.871 ( -0.538 -0.302 2.824) 2.890 0.921 ( 1.719 -1.775 -1.493) 2.887 0.964 ( -1.931 4.392 4.721) 6.731 0.979 ( 0.997 -0.961 -1.613) 2.126 1.013 ( -0.284 0.549 -1.688) 1.797 1.062 ( -1.269 -1.738 -3.266) 3.911 1.132 ( 0.138 -0.170 -0.414) 0.469 1.146 ( 0.662 0.487 0.078) 0.826 1.193 ( 1.657 -3.237 1.379) 3.889 1.294 ( 0.437 1.135 -2.309) 2.610 1.330 ( -1.546 1.657 -0.044) 2.267 1.354 ( 0.179 -0.107 0.948) 0.971 1.530 ( 3.166 -6.220 0.065) 6.979 1.543 ( 1.941 -1.686 0.406) 2.602 1.651 ( -1.665 -1.356 0.215) 2.158 1.728 ( -1.680 2.963 0.696) 3.477 1.757 ( -1.750 1.337 -1.723) 2.797 1.837 ( -0.460 1.596 -1.714) 2.387 1.918 ( -1.822 -4.957 0.753) 5.335 1.969 ( 2.324 2.511 -0.116) 3.424 2.056 ( 0.471 1.200 1.055) 1.666 2.091 ( 2.453 -2.342 0.471) 3.424 2.135 ( 2.748 2.504 -0.704) 3.784 2.231 ( 1.127 -2.644 1.466) 3.226 2.342 ( -0.339 -1.683 -2.920) 3.387 2.378 ( -2.217 3.256 -0.389) 3.958 2.437 ( -0.125 -2.499 -0.307) 2.521 2.534 ( -0.798 -2.965 2.268) 3.818 2.591 ( 1.088 1.056 0.755) 1.694 2.675 ( 1.934 -0.092 0.886) 2.129 2.781 ( -0.786 -0.845 0.389) 1.218 2.840 ( 1.648 -1.599 -2.190) 3.173 3.091 ( -2.564 -0.442 2.051) 3.313 3.215 ( 3.803 -1.673 -1.768) 4.515 3.285 ( -1.406 -0.034 -1.794) 2.280 3.593 ( 2.166 -1.999 1.104) 3.147 3.628 ( -2.458 -0.659 1.400) 2.904 3.769 ( -0.518 0.634 -0.636) 1.037 3.839 ( -0.185 -0.430 -0.764) 0.896 4.270 ( -1.237 -2.249 1.238) 2.850 4.411 ( 0.681 -1.147 0.251) 1.357 4.463 ( -0.134 -2.010 -1.102) 2.296 4.521 ( -0.174 -1.019 0.139) 1.043 5.719 ( -0.717 1.649 0.229) 1.812 5.795 ( -0.384 0.099 -0.272) 0.481 5.860 ( 0.634 3.075 0.217) 3.147 5.896 ( -0.150 2.422 -0.168) 2.433 6.613 ( -0.647 0.690 0.051) 0.947 6.820 ( -0.361 -0.001 0.008) 0.362 6.979 ( 1.212 -0.170 0.010) 1.224 7.026 ( 1.709 -0.272 -0.212) 1.743 7.224 ( -1.287 0.206 0.161) 1.313 7.248 ( -0.646 -0.253 -0.110) 0.702 7.500 ( 2.173 -1.171 -0.008) 2.468 7.530 ( 0.046 0.421 0.047) 0.426 7.867 ( -0.735 -0.148 1.249) 1.457 7.890 ( -0.665 0.234 0.161) 0.723 7.940 ( -0.157 0.471 0.261) 0.560 7.958 ( 1.296 0.159 -1.392) 1.909 8.216 ( -0.659 0.551 0.280) 0.904 8.248 ( 0.531 0.403 -1.791) 1.911 8.387 ( -0.083 0.163 1.840) 1.849 8.410 ( -0.714 -0.718 0.138) 1.022 8.551 ( 0.163 -0.350 -0.481) 0.617 8.581 ( -1.195 1.333 -0.858) 1.985 8.640 ( 0.197 0.608 0.422) 0.766 8.679 ( -0.464 0.503 0.223) 0.719 9.317 ( 1.663 -0.451 0.419) 1.773 9.370 ( 1.714 -0.720 0.268) 1.878 9.421 ( -1.009 -0.128 -0.522) 1.143 9.537 ( -0.507 -0.732 0.361) 0.960 9.563 ( 0.532 -0.143 -1.205) 1.325 9.700 ( 0.557 0.245 -0.174) 0.633 9.710 ( -0.045 -1.282 0.219) 1.301 9.861 ( 0.627 -0.443 0.796) 1.105 10.415 ( -0.257 0.540 0.229) 0.640 10.482 ( -0.078 -0.281 -0.476) 0.558 10.611 ( -0.927 0.145 0.728) 1.187 10.652 ( -0.667 0.578 -0.607) 1.071 ======================= Grid point 91 (31/70) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -1.566 -0.127 3.403) 3.748 0.522 ( 0.643 -1.788 2.002) 2.761 0.535 ( -1.985 -1.004 1.004) 2.440 0.666 ( 0.993 -1.522 -2.662) 3.223 0.752 ( 0.066 -0.399 1.238) 1.303 0.870 ( -0.783 1.193 1.492) 2.065 0.896 ( 0.153 2.968 4.997) 5.814 0.926 ( -0.034 2.131 -1.516) 2.616 0.976 ( -0.288 -0.578 0.461) 0.794 1.000 ( 1.094 0.920 -1.167) 1.846 1.095 ( 2.172 -2.411 -2.198) 3.920 1.145 ( -0.616 -0.275 -0.861) 1.093 1.168 ( 0.253 -2.523 -1.345) 2.870 1.228 ( -1.545 2.209 -2.139) 3.441 1.255 ( -0.822 -0.756 2.003) 2.293 1.309 ( 0.654 -0.696 -0.101) 0.961 1.375 ( 0.676 -0.703 -0.103) 0.980 1.529 ( -2.931 6.631 0.189) 7.252 1.558 ( 1.007 2.305 0.088) 2.517 1.656 ( -1.418 0.391 -0.189) 1.483 1.710 ( 1.915 -3.272 0.457) 3.818 1.752 ( -0.082 -1.260 -0.704) 1.445 1.836 ( 1.903 -2.050 -1.752) 3.300 1.899 ( 1.993 5.513 1.789) 6.129 1.990 ( -3.385 -2.500 -0.821) 4.287 2.067 ( -0.640 -2.859 0.333) 2.948 2.093 ( 0.678 2.565 0.238) 2.664 2.124 ( -4.396 -0.587 -0.035) 4.435 2.253 ( -1.431 0.872 0.547) 1.763 2.305 ( -1.481 1.763 -0.927) 2.483 2.381 ( 4.162 -1.501 -0.740) 4.486 2.460 ( -0.210 -0.876 -2.136) 2.318 2.546 ( 0.941 4.079 1.439) 4.427 2.559 ( -1.223 1.660 2.937) 3.589 2.712 ( 0.976 -1.631 -1.921) 2.702 2.725 ( -2.968 2.969 2.850) 5.074 2.901 ( 3.307 -2.042 -4.813) 6.186 3.059 ( -4.697 1.945 4.261) 6.633 3.228 ( 2.523 2.462 -2.487) 4.314 3.258 ( -1.116 0.934 0.134) 1.462 3.604 ( 0.881 1.590 0.349) 1.851 3.612 ( -1.841 1.555 1.996) 3.129 3.789 ( 2.273 -1.514 -1.374) 3.057 3.842 ( 0.223 -0.546 -1.007) 1.167 4.268 ( -0.395 2.090 1.331) 2.509 4.413 ( 0.357 1.342 0.364) 1.435 4.461 ( 0.606 2.345 -1.240) 2.721 4.518 ( -0.239 1.037 0.314) 1.110 5.720 ( 0.611 -1.627 0.207) 1.751 5.795 ( 0.574 -0.342 -0.305) 0.735 5.853 ( -0.908 -2.207 0.511) 2.441 5.902 ( 0.366 -3.087 -0.418) 3.136 6.614 ( 0.594 -0.727 0.036) 0.940 6.819 ( 0.431 0.162 0.064) 0.464 6.978 ( -0.955 0.410 0.057) 1.041 7.027 ( -2.084 -0.102 -0.252) 2.102 7.226 ( 1.133 -0.485 0.055) 1.234 7.247 ( 0.920 0.467 -0.066) 1.034 7.499 ( -2.263 1.123 0.032) 2.527 7.531 ( 0.098 -0.431 -0.045) 0.445 7.869 ( 0.304 0.276 1.397) 1.456 7.886 ( -0.126 -0.115 0.148) 0.226 7.935 ( -0.478 -0.284 0.040) 0.558 7.966 ( 0.386 -0.599 -1.313) 1.495 8.213 ( -0.828 -0.719 0.463) 1.190 8.243 ( 0.996 0.213 -1.452) 1.774 8.386 ( 1.059 0.995 1.287) 1.942 8.423 ( 0.117 -0.942 0.026) 0.950 8.548 ( -0.617 0.181 -0.433) 0.775 8.575 ( 1.141 -0.805 -0.429) 1.461 8.644 ( 0.348 -0.677 0.131) 0.773 8.679 ( 0.169 -0.616 0.228) 0.678 9.318 ( -1.472 0.409 0.355) 1.569 9.372 ( -2.580 0.981 0.269) 2.773 9.417 ( 1.456 -0.026 -0.379) 1.505 9.537 ( -0.627 0.274 0.521) 0.860 9.554 ( 0.522 1.270 -0.829) 1.604 9.704 ( 1.570 0.742 -0.176) 1.746 9.715 ( -1.450 -0.089 -0.265) 1.476 9.866 ( -1.016 -0.260 0.526) 1.174 10.412 ( 0.342 0.075 0.356) 0.499 10.482 ( 0.002 -0.110 -0.417) 0.432 10.619 ( 0.700 -0.544 0.512) 1.023 10.645 ( 0.928 -0.161 -0.471) 1.053 ======================= Grid point 92 (32/70) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -1.054 -0.716 3.425) 3.654 0.547 ( -1.546 -0.991 2.202) 2.868 0.603 ( 1.265 -4.694 1.439) 5.070 0.682 ( -0.956 -0.263 2.223) 2.434 0.753 ( 0.252 0.593 -0.217) 0.680 0.826 ( -2.656 3.555 -0.314) 4.449 0.846 ( -0.506 3.246 1.219) 3.504 0.908 ( 2.587 0.174 -0.728) 2.694 0.955 ( 0.460 3.164 -0.333) 3.215 1.032 ( 1.687 -1.292 1.487) 2.593 1.088 ( -0.497 3.334 -0.035) 3.371 1.132 ( -0.076 -0.893 -0.882) 1.258 1.197 ( -2.454 -1.222 -5.400) 6.056 1.233 ( -0.741 -3.743 -1.494) 4.098 1.245 ( -1.949 0.851 2.420) 3.222 1.323 ( 0.114 2.324 1.027) 2.544 1.362 ( -1.024 5.285 -0.689) 5.428 1.385 ( -2.120 -0.551 0.311) 2.213 1.523 ( 1.360 2.381 -1.416) 3.086 1.629 ( -1.323 1.577 0.381) 2.093 1.743 ( -0.133 0.875 0.347) 0.950 1.758 ( 2.263 2.262 2.191) 3.878 1.867 ( -1.759 2.324 -3.132) 4.279 1.891 ( 3.638 -2.248 0.869) 4.364 1.936 ( -5.799 0.868 1.573) 6.071 2.035 ( 1.748 4.038 0.112) 4.402 2.097 ( -5.883 0.592 -0.878) 5.977 2.133 ( -1.307 -5.435 -0.942) 5.669 2.207 ( -2.131 -0.954 -1.294) 2.669 2.295 ( 1.057 -0.599 1.259) 1.749 2.404 ( -2.118 1.713 -0.944) 2.883 2.462 ( 2.679 4.273 0.271) 5.050 2.483 ( -1.449 2.223 1.774) 3.192 2.502 ( 3.141 1.788 -0.961) 3.740 2.671 ( -0.729 1.631 0.780) 1.949 2.722 ( -1.260 0.790 -0.910) 1.744 2.925 ( 2.957 0.796 -4.874) 5.756 2.968 ( -6.577 3.445 5.954) 9.517 3.181 ( 2.112 3.637 -2.627) 4.959 3.222 ( -1.398 2.900 2.001) 3.791 3.563 ( -1.766 2.756 3.457) 4.761 3.585 ( 2.072 1.585 -2.576) 3.666 3.799 ( 0.308 1.124 1.327) 1.766 3.877 ( 3.072 -1.667 -3.838) 5.191 4.209 ( -0.280 4.617 2.180) 5.113 4.370 ( -0.099 4.343 -0.860) 4.428 4.386 ( 0.205 5.030 -0.395) 5.050 4.488 ( 0.665 2.782 0.463) 2.898 5.781 ( 1.151 -3.619 0.800) 3.881 5.821 ( 0.870 -2.248 -1.364) 2.770 5.922 ( -0.665 -5.685 1.443) 5.903 5.980 ( -0.200 -5.028 -0.952) 5.121 6.651 ( 1.935 -2.161 -0.052) 2.901 6.825 ( 1.261 -0.080 0.160) 1.274 6.948 ( -3.306 0.631 0.243) 3.374 6.999 ( -3.467 -0.063 -0.355) 3.485 7.244 ( 0.244 -0.012 0.290) 0.379 7.257 ( 3.954 0.619 -0.314) 4.014 7.443 ( -3.869 1.760 -0.003) 4.251 7.522 ( -1.805 0.509 -0.254) 1.892 7.871 ( 0.411 0.450 1.537) 1.653 7.893 ( 1.505 0.116 -0.561) 1.610 7.945 ( -0.911 -1.545 0.216) 1.806 7.976 ( -0.290 -0.901 -0.958) 1.347 8.222 ( -1.012 -0.973 0.823) 1.627 8.255 ( 1.704 -0.689 -0.683) 1.961 8.386 ( 1.768 0.869 0.504) 2.033 8.437 ( 0.524 -0.223 -0.521) 0.772 8.554 ( 0.784 -1.064 -0.557) 1.435 8.603 ( 0.866 -1.225 0.052) 1.501 8.669 ( 0.476 -1.593 0.130) 1.668 8.703 ( 0.690 -1.366 0.169) 1.539 9.283 ( -3.304 0.838 -0.645) 3.469 9.318 ( -3.666 1.324 1.681) 4.245 9.429 ( 1.436 0.255 -0.832) 1.679 9.518 ( -1.598 0.862 -0.161) 1.823 9.527 ( 1.674 2.524 -0.233) 3.038 9.670 ( -1.263 2.872 0.109) 3.139 9.707 ( -0.992 0.217 0.379) 1.084 9.863 ( -1.336 -0.839 -0.929) 1.831 10.417 ( 0.445 0.023 1.089) 1.176 10.490 ( 0.653 -0.613 -0.822) 1.216 10.635 ( 0.917 -0.175 1.583) 1.838 10.672 ( 2.676 -0.867 -1.483) 3.180 ======================= Grid point 93 (33/70) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -1.762 4.048 7.019) 8.292 0.532 ( -2.850 3.409 1.580) 4.716 0.673 ( 0.236 2.869 4.674) 5.489 0.681 ( 1.338 1.641 -1.811) 2.786 0.705 ( -5.222 -0.673 3.474) 6.308 0.737 ( 0.968 1.666 -0.812) 2.091 0.830 ( -1.362 -1.167 -0.067) 1.794 0.859 ( -0.047 4.531 -3.922) 5.993 0.945 ( 1.676 -0.094 -1.020) 1.964 1.022 ( -0.712 3.027 -2.234) 3.828 1.054 ( -1.621 -0.223 2.940) 3.364 1.107 ( -3.115 3.127 1.327) 4.609 1.154 ( -1.319 3.788 -1.679) 4.349 1.189 ( -5.542 2.883 -1.314) 6.384 1.217 ( -0.217 0.630 -0.298) 0.729 1.275 ( -2.887 0.517 -1.071) 3.122 1.320 ( -0.781 -1.480 0.161) 1.681 1.404 ( -0.860 4.125 -0.668) 4.266 1.467 ( 1.097 2.730 2.555) 3.897 1.605 ( -0.891 0.356 1.945) 2.169 1.682 ( -5.112 3.252 0.165) 6.061 1.717 ( -0.643 2.020 1.831) 2.801 1.784 ( 1.910 4.518 -3.042) 5.772 1.865 ( -1.938 -1.329 2.288) 3.280 1.918 ( -6.525 3.245 -5.723) 9.266 2.027 ( 1.808 -1.398 -1.456) 2.710 2.078 ( 2.970 -4.804 1.297) 5.796 2.198 ( -0.021 -1.998 0.197) 2.008 2.228 ( 4.963 1.861 -1.811) 5.601 2.307 ( -6.538 0.563 -0.257) 6.567 2.373 ( 2.477 -1.314 0.026) 2.804 2.380 ( 3.032 4.132 0.403) 5.141 2.472 ( -0.148 -0.163 0.468) 0.517 2.512 ( 1.846 1.140 -0.321) 2.193 2.639 ( -5.345 3.727 2.959) 7.157 2.671 ( 0.282 -1.594 -0.889) 1.847 2.883 ( -1.881 1.898 1.286) 2.966 2.910 ( 0.038 2.156 -0.755) 2.285 3.130 ( 2.307 3.803 -1.850) 4.817 3.146 ( -1.329 4.404 1.701) 4.905 3.510 ( -2.047 2.722 3.908) 5.184 3.569 ( 2.990 1.434 -4.663) 5.722 3.795 ( -0.435 -0.111 2.826) 2.862 3.910 ( 3.288 -0.245 -4.004) 5.186 4.118 ( -1.705 5.773 3.033) 6.740 4.243 ( -0.619 6.754 -4.137) 7.945 4.328 ( 0.850 3.451 3.012) 4.659 4.434 ( 0.700 4.034 -0.378) 4.112 5.839 ( -0.100 -2.004 0.543) 2.078 5.886 ( 2.111 -3.183 -1.170) 3.994 6.028 ( -0.636 -5.767 1.353) 5.957 6.048 ( -0.974 -3.534 -1.302) 3.891 6.722 ( 3.082 -2.979 -0.087) 4.287 6.848 ( 1.596 -0.765 -0.141) 1.775 6.907 ( -3.587 -0.099 0.734) 3.663 6.967 ( -3.184 -0.179 -0.451) 3.220 7.243 ( 0.918 0.880 0.344) 1.317 7.275 ( 2.620 0.969 -0.445) 2.829 7.373 ( -3.674 2.035 0.165) 4.203 7.479 ( -2.659 1.654 -1.361) 3.414 7.873 ( 0.265 0.380 1.463) 1.535 7.899 ( 1.717 0.766 -0.899) 2.084 7.970 ( 0.128 -1.524 -0.226) 1.546 7.983 ( -0.476 -0.559 -0.516) 0.897 8.243 ( -0.103 -1.765 2.102) 2.746 8.290 ( 1.301 -1.528 0.651) 2.110 8.386 ( 1.567 1.158 -0.607) 2.041 8.439 ( 0.678 0.045 -1.096) 1.290 8.590 ( 1.953 -1.620 -1.418) 2.907 8.630 ( -0.257 -1.183 0.771) 1.435 8.706 ( 0.652 -1.757 0.354) 1.907 8.734 ( 0.693 -1.255 -0.083) 1.436 9.233 ( -3.457 0.797 0.782) 3.633 9.278 ( -3.401 -0.308 -0.460) 3.445 9.429 ( 0.965 0.728 -0.283) 1.242 9.482 ( -1.061 1.470 -0.231) 1.828 9.495 ( 0.994 2.486 -0.220) 2.686 9.595 ( -2.414 3.285 0.082) 4.078 9.684 ( -2.171 1.145 1.693) 2.982 9.856 ( -1.382 -0.398 -4.911) 5.117 10.432 ( 0.794 -0.546 2.315) 2.507 10.503 ( 0.404 -0.423 -0.271) 0.645 10.656 ( 1.077 -0.395 1.803) 2.137 10.705 ( 3.019 -0.460 -2.108) 3.711 ======================= Grid point 94 (34/70) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -3.683 9.984 5.747) 12.095 0.398 ( -4.427 5.819 11.039) 13.241 0.597 ( -1.637 4.426 -5.166) 6.997 0.608 ( -0.533 7.430 -2.621) 7.896 0.683 ( -2.669 3.875 0.239) 4.712 0.713 ( -0.215 2.311 0.493) 2.373 0.762 ( -7.893 3.030 6.070) 10.408 0.867 ( -1.661 -3.027 -1.702) 3.849 0.898 ( -1.032 3.463 0.193) 3.619 0.953 ( -2.043 5.195 -2.369) 6.064 0.974 ( -3.321 2.504 6.084) 7.370 1.060 ( -1.202 -0.204 2.562) 2.837 1.065 ( -2.989 -0.404 1.920) 3.576 1.104 ( -3.052 1.446 0.560) 3.424 1.180 ( -0.753 2.902 0.359) 3.019 1.236 ( 0.061 -0.705 -2.955) 3.039 1.333 ( 0.068 -0.352 1.134) 1.189 1.365 ( 0.815 -0.213 0.532) 0.997 1.423 ( -1.385 2.668 0.002) 3.006 1.588 ( -0.860 -0.391 1.327) 1.629 1.639 ( 1.385 7.357 -9.632) 12.199 1.673 ( -1.596 0.504 -1.156) 2.034 1.743 ( 3.594 -3.900 -2.074) 5.695 1.838 ( -6.664 -3.755 -3.595) 8.452 1.925 ( 0.869 -2.577 5.395) 6.042 2.065 ( 3.745 0.849 -2.532) 4.599 2.149 ( -0.491 -0.467 0.097) 0.685 2.190 ( -2.022 1.336 -2.740) 3.658 2.214 ( 4.362 4.254 1.590) 6.297 2.283 ( 0.807 -2.040 0.566) 2.266 2.322 ( 1.536 2.715 -0.895) 3.245 2.375 ( -4.482 3.596 0.609) 5.778 2.490 ( 0.744 -2.461 2.010) 3.264 2.510 ( 1.794 0.489 0.204) 1.870 2.631 ( -0.393 -5.040 2.680) 5.722 2.714 ( -0.930 -3.488 -1.464) 3.896 2.849 ( -2.966 1.181 4.111) 5.205 2.866 ( 2.660 2.998 -1.590) 4.312 3.069 ( 0.616 3.607 -0.508) 3.694 3.074 ( 1.401 4.418 -1.189) 4.785 3.459 ( -2.086 2.089 4.218) 5.149 3.563 ( 2.969 0.385 -5.392) 6.167 3.813 ( -0.728 -1.212 2.818) 3.153 3.918 ( 1.592 0.510 -4.366) 4.675 4.004 ( -3.060 5.365 5.497) 8.268 4.129 ( 1.264 4.138 -4.787) 6.452 4.300 ( -0.002 1.655 3.183) 3.588 4.366 ( 0.583 3.559 -1.086) 3.767 5.862 ( 0.113 -0.422 0.369) 0.572 5.921 ( 1.111 1.240 -2.545) 3.042 6.076 ( -0.749 -1.365 0.026) 1.557 6.104 ( -0.897 -3.086 -0.094) 3.215 6.793 ( 2.605 -1.144 0.281) 2.859 6.857 ( -0.800 -0.384 -1.464) 1.712 6.914 ( -0.234 -1.637 1.417) 2.178 6.947 ( -1.940 -0.709 -0.467) 2.118 7.231 ( 0.396 1.316 0.651) 1.521 7.272 ( 0.517 0.622 -0.503) 0.952 7.308 ( -1.420 2.582 0.111) 2.949 7.391 ( -2.624 5.054 -3.934) 6.921 7.872 ( -0.049 0.412 1.247) 1.314 7.894 ( 0.971 0.655 -0.606) 1.319 7.983 ( -0.114 0.098 -0.388) 0.416 7.991 ( 0.651 -0.357 -0.708) 1.026 8.294 ( 1.638 -1.885 2.208) 3.333 8.338 ( 0.898 -1.883 1.428) 2.528 8.375 ( 0.885 0.235 0.578) 1.083 8.448 ( 1.317 -0.331 -0.846) 1.600 8.627 ( 1.965 -0.977 -2.275) 3.161 8.635 ( -1.654 -0.090 0.608) 1.764 8.741 ( 0.692 -0.941 0.595) 1.311 8.755 ( 0.364 -0.557 -0.301) 0.731 9.202 ( -2.178 0.108 1.341) 2.560 9.256 ( -3.932 -1.351 -2.149) 4.680 9.422 ( -0.258 0.551 0.781) 0.990 9.450 ( -1.399 0.605 -0.143) 1.531 9.465 ( 1.579 1.728 -0.449) 2.383 9.523 ( -2.861 1.649 -0.623) 3.361 9.638 ( -2.780 1.919 1.735) 3.798 9.769 ( -3.783 6.111 -10.085) 12.384 10.481 ( 1.985 -2.571 2.749) 4.255 10.509 ( -0.058 -0.105 0.703) 0.714 10.679 ( 0.150 -0.678 2.429) 2.526 10.731 ( 2.709 -0.340 -2.547) 3.734 ======================= Grid point 96 (35/70) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 8.848 -0.000 6.145) 10.773 0.440 ( 6.434 -0.000 4.511) 7.858 0.488 ( 7.217 -0.000 2.142) 7.528 0.580 ( 6.860 -0.000 -6.642) 9.549 0.666 ( 1.596 -0.000 0.538) 1.684 0.755 ( 5.619 -0.000 -2.820) 6.287 0.851 ( -1.436 0.000 2.827) 3.171 0.869 ( 8.811 -0.000 6.668) 11.049 0.907 ( 4.125 -0.000 0.973) 4.238 0.973 ( -0.287 0.000 3.626) 3.638 0.975 ( 6.020 -0.000 -3.627) 7.028 1.050 ( 0.091 -0.000 7.193) 7.194 1.119 ( 5.212 -0.000 1.907) 5.550 1.137 ( 3.445 -0.000 0.235) 3.453 1.177 ( 0.961 -0.000 2.960) 3.113 1.228 ( 1.666 -0.000 -3.667) 4.028 1.344 ( 0.463 -0.000 1.556) 1.624 1.387 ( 1.654 -0.000 -4.830) 5.106 1.405 ( 2.570 -0.000 2.387) 3.508 1.561 ( 8.013 -0.000 -16.221) 18.093 1.633 ( 0.338 -0.000 -1.518) 1.556 1.656 ( 1.417 -0.000 3.117) 3.424 1.757 ( -1.024 0.000 1.454) 1.778 1.775 ( -5.678 0.000 3.110) 6.474 2.025 ( -0.931 0.000 2.186) 2.376 2.054 ( 1.347 -0.000 -5.752) 5.908 2.087 ( -2.018 0.000 1.168) 2.332 2.192 ( -3.131 0.000 -1.300) 3.390 2.206 ( -0.556 0.000 0.857) 1.022 2.245 ( 3.044 -0.000 0.067) 3.044 2.350 ( 3.395 -0.000 -0.403) 3.418 2.371 ( 3.047 -0.000 -0.275) 3.059 2.460 ( -4.182 0.000 0.410) 4.202 2.527 ( -1.441 0.000 -0.357) 1.485 2.715 ( -1.537 0.000 -1.073) 1.875 2.731 ( -3.652 0.000 6.589) 7.533 2.759 ( -0.547 0.000 -0.790) 0.961 2.913 ( 4.007 -0.000 -1.592) 4.311 3.003 ( -0.049 0.000 0.725) 0.727 3.038 ( -0.377 0.000 -1.348) 1.400 3.475 ( -1.293 0.000 2.354) 2.686 3.577 ( 3.271 -0.000 -7.358) 8.052 3.838 ( -1.064 0.000 2.122) 2.374 3.840 ( -1.599 0.000 2.040) 2.592 3.975 ( -1.570 0.000 3.220) 3.582 4.099 ( 3.428 -0.000 -4.576) 5.717 4.279 ( -2.027 0.000 2.195) 2.988 4.340 ( 0.309 -0.000 -1.527) 1.558 5.874 ( 0.846 -0.000 -0.273) 0.889 5.888 ( 1.822 -0.000 0.149) 1.828 6.106 ( 0.532 -0.000 -1.006) 1.138 6.133 ( 1.926 -0.000 0.905) 2.128 6.818 ( -1.238 0.000 -2.564) 2.847 6.820 ( -0.236 0.000 2.063) 2.077 6.949 ( 0.877 -0.000 1.532) 1.765 6.961 ( 0.860 -0.000 -0.927) 1.265 7.231 ( -0.605 0.000 -0.241) 0.651 7.235 ( 1.058 -0.000 -0.045) 1.059 7.329 ( 3.024 -0.000 -1.562) 3.403 7.368 ( 5.022 -0.000 -0.620) 5.060 7.860 ( -1.202 0.000 0.932) 1.521 7.893 ( 0.258 -0.000 -1.113) 1.143 7.977 ( -0.435 0.000 0.636) 0.770 7.985 ( -0.375 0.000 -0.036) 0.377 8.298 ( -1.490 0.000 -0.020) 1.490 8.338 ( -0.901 0.000 1.452) 1.709 8.407 ( -1.766 0.000 1.257) 2.168 8.422 ( -2.256 0.000 -2.124) 3.099 8.607 ( -0.857 0.000 0.124) 0.866 8.670 ( 1.798 -0.000 -0.930) 2.025 8.739 ( -1.034 0.000 1.033) 1.461 8.751 ( -0.646 0.000 -0.453) 0.789 9.243 ( 1.991 -0.000 2.441) 3.150 9.285 ( 4.522 -0.000 -4.872) 6.647 9.436 ( -1.942 0.000 1.393) 2.390 9.444 ( -0.504 0.000 -0.073) 0.510 9.474 ( 1.315 -0.000 1.234) 1.804 9.507 ( 4.354 -0.000 -1.876) 4.741 9.604 ( 5.552 -0.000 -1.752) 5.822 9.699 ( 7.295 -0.000 2.862) 7.837 10.488 ( -1.561 0.000 0.226) 1.577 10.519 ( -1.976 0.000 0.164) 1.983 10.655 ( -3.809 0.000 2.166) 4.382 10.726 ( -1.632 0.000 -1.731) 2.379 ======================= Grid point 97 (36/70) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 8.423 -2.643 1.195) 8.909 0.559 ( 2.640 0.222 2.726) 3.801 0.598 ( 6.513 -7.751 3.170) 10.608 0.615 ( 1.219 -0.391 -3.985) 4.186 0.677 ( 2.794 -0.654 0.233) 2.879 0.821 ( 0.237 -0.647 1.842) 1.966 0.853 ( -0.454 1.170 3.508) 3.726 0.891 ( 4.159 4.045 -0.757) 5.851 0.963 ( 4.099 -4.055 -1.031) 5.857 0.970 ( 3.947 4.098 -2.708) 6.301 1.044 ( 0.827 0.108 3.797) 3.888 1.082 ( 6.100 -2.435 1.425) 6.721 1.141 ( 1.708 0.494 -0.761) 1.935 1.207 ( 2.464 -1.074 1.597) 3.127 1.222 ( 4.858 -2.145 0.696) 5.355 1.278 ( 4.265 -3.379 -1.009) 5.534 1.346 ( 0.299 0.899 -0.041) 0.948 1.379 ( 1.912 0.871 -3.484) 4.068 1.480 ( 1.899 -1.843 4.482) 5.205 1.562 ( -0.526 0.094 -0.672) 0.859 1.632 ( 0.224 2.697 0.852) 2.837 1.723 ( 5.692 -2.715 -0.940) 6.376 1.740 ( 6.276 -4.862 -6.887) 10.510 1.839 ( -2.325 -5.361 3.193) 6.658 1.949 ( -1.368 3.257 -0.301) 3.546 2.043 ( 1.243 0.873 -1.795) 2.352 2.113 ( -4.731 2.255 -0.056) 5.241 2.139 ( -3.521 -4.897 0.829) 6.088 2.217 ( 2.356 2.635 -2.509) 4.335 2.269 ( -0.368 -1.702 1.724) 2.450 2.350 ( 4.888 -0.485 -2.066) 5.329 2.402 ( -1.964 1.743 1.478) 3.013 2.456 ( -1.345 -1.102 -0.456) 1.797 2.504 ( 0.564 -0.111 -0.277) 0.638 2.687 ( 0.594 0.529 -1.654) 1.836 2.727 ( 0.041 1.476 6.108) 6.284 2.741 ( -2.056 -1.118 -0.912) 2.511 2.981 ( 4.332 -3.139 -1.909) 5.680 3.021 ( -1.732 -1.850 -0.208) 2.543 3.083 ( -0.038 -5.183 -0.076) 5.184 3.466 ( -1.397 -0.137 2.476) 2.846 3.583 ( 2.204 -0.283 -6.070) 6.464 3.802 ( -2.077 0.947 4.160) 4.745 3.874 ( 0.359 -0.973 -3.330) 3.488 3.997 ( -2.520 -3.795 5.515) 7.153 4.159 ( 4.410 -3.814 -3.064) 6.587 4.292 ( -2.530 -3.170 0.817) 4.137 4.360 ( 0.005 -2.427 -0.771) 2.546 5.869 ( 0.728 1.226 -0.169) 1.436 5.911 ( 0.895 0.627 -0.011) 1.093 6.088 ( 0.879 2.497 0.210) 2.655 6.130 ( 1.422 2.783 -0.083) 3.127 6.761 ( -1.714 3.083 -0.876) 3.634 6.840 ( 0.133 -0.296 1.009) 1.060 6.942 ( 0.659 0.618 -0.406) 0.991 6.978 ( 1.280 -0.731 0.306) 1.505 7.225 ( 0.136 -0.019 -0.233) 0.271 7.261 ( 1.259 0.109 0.811) 1.501 7.361 ( 2.721 -2.000 -0.502) 3.414 7.446 ( 2.137 -3.502 -0.695) 4.161 7.855 ( -1.439 -0.374 0.915) 1.746 7.893 ( -0.141 -0.350 -1.453) 1.501 7.969 ( -0.710 0.411 0.372) 0.901 7.985 ( -0.202 -0.208 0.171) 0.336 8.284 ( -0.647 0.429 -0.024) 0.776 8.332 ( -0.332 1.216 1.306) 1.815 8.381 ( -1.541 0.905 -2.353) 2.955 8.396 ( -1.271 -0.056 0.908) 1.563 8.586 ( -0.598 1.295 0.053) 1.428 8.673 ( 0.838 0.929 -1.083) 1.654 8.723 ( -1.046 1.197 1.050) 1.905 8.735 ( -1.199 0.670 -0.126) 1.379 9.261 ( 1.892 0.328 1.345) 2.345 9.313 ( 3.618 -0.750 -2.815) 4.645 9.397 ( -2.440 0.548 1.170) 2.761 9.460 ( 0.253 -1.265 -0.489) 1.380 9.509 ( 0.233 -1.767 -0.141) 1.788 9.547 ( 1.173 -2.299 0.416) 2.614 9.686 ( 6.372 -1.726 -2.838) 7.186 9.798 ( 6.708 -0.734 4.206) 7.952 10.469 ( -1.376 0.444 -0.905) 1.705 10.492 ( -2.285 0.846 1.503) 2.863 10.628 ( -3.636 -0.401 1.596) 3.991 10.694 ( -2.214 0.569 -2.008) 3.042 ======================= Grid point 99 (37/70) ======================= q-point: ( 0.33 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -0.513 1.402 -1.880) 2.401 0.596 ( 2.444 3.266 1.348) 4.296 0.654 ( 4.127 -1.001 2.258) 4.810 0.700 ( 0.089 -0.394 0.963) 1.044 0.794 ( 0.569 1.651 2.488) 3.040 0.799 ( 2.338 -4.256 0.537) 4.886 0.853 ( 1.407 0.968 -1.943) 2.587 0.893 ( 2.873 -1.557 -1.562) 3.622 0.923 ( 2.683 0.970 -1.671) 3.306 1.021 ( 1.606 -1.506 -0.992) 2.415 1.067 ( -0.668 0.297 5.030) 5.083 1.141 ( 2.065 1.068 -1.670) 2.862 1.183 ( 4.040 -1.636 -0.586) 4.398 1.243 ( 2.304 -0.377 0.398) 2.368 1.296 ( 1.632 -2.126 -1.258) 2.961 1.323 ( 1.079 1.504 -0.169) 1.859 1.349 ( 2.279 3.968 1.364) 4.775 1.422 ( 0.306 -7.269 -0.143) 7.277 1.440 ( 1.124 1.039 -1.147) 1.913 1.590 ( 0.328 2.051 0.603) 2.163 1.659 ( -0.124 -5.610 4.688) 7.312 1.747 ( -1.005 0.542 -0.822) 1.407 1.829 ( 1.651 -0.285 -2.838) 3.296 1.926 ( -1.722 -3.733 1.631) 4.423 1.944 ( 1.741 0.668 -1.508) 2.398 2.035 ( 2.428 0.215 -0.752) 2.551 2.099 ( -1.800 -4.354 -2.210) 5.204 2.163 ( 1.478 -0.583 0.363) 1.629 2.191 ( 0.987 0.367 0.225) 1.077 2.299 ( -3.267 0.862 1.385) 3.652 2.324 ( -2.201 -0.618 -0.213) 2.296 2.441 ( -1.952 -0.847 0.601) 2.211 2.464 ( 8.976 -3.167 -1.444) 9.628 2.535 ( 3.173 -0.152 -1.794) 3.648 2.660 ( -1.832 0.280 -0.256) 1.870 2.720 ( 1.491 0.597 2.940) 3.350 2.795 ( 0.058 -3.296 0.855) 3.405 3.035 ( -3.403 -2.333 0.832) 4.209 3.086 ( 5.925 -4.273 -2.991) 7.894 3.184 ( -0.083 -5.557 0.151) 5.560 3.483 ( -0.506 -2.046 2.134) 2.999 3.583 ( -0.720 -0.946 -2.998) 3.225 3.794 ( -1.259 0.065 3.728) 3.935 3.851 ( 0.030 1.232 -4.882) 5.035 4.096 ( -1.323 -6.243 5.085) 8.160 4.273 ( 3.472 -5.240 -1.363) 6.432 4.338 ( -1.691 -4.213 -1.480) 4.775 4.412 ( -0.971 -3.874 0.316) 4.006 5.840 ( 0.261 2.837 0.856) 2.974 5.865 ( -0.217 3.972 -1.110) 4.130 6.038 ( 0.513 4.442 1.520) 4.723 6.059 ( 0.432 5.573 -1.221) 5.722 6.689 ( -0.580 3.184 -0.227) 3.244 6.835 ( 0.659 1.018 0.323) 1.255 6.958 ( 0.948 -1.256 -0.563) 1.672 7.007 ( 0.946 -0.958 0.486) 1.431 7.225 ( 0.317 0.283 -0.104) 0.438 7.261 ( 0.909 0.790 0.329) 1.248 7.430 ( 2.030 -2.795 0.066) 3.455 7.506 ( 0.024 -2.176 -0.167) 2.182 7.852 ( -1.347 -0.499 0.917) 1.704 7.890 ( -0.554 -0.216 -1.411) 1.532 7.957 ( -0.482 0.363 0.443) 0.749 7.986 ( 0.131 0.265 0.376) 0.478 8.267 ( -0.221 1.465 0.081) 1.484 8.283 ( -0.557 2.264 -1.829) 2.963 8.368 ( -0.356 -0.357 -0.774) 0.924 8.396 ( -0.713 -0.353 2.228) 2.366 8.560 ( -0.302 0.993 -0.012) 1.038 8.642 ( -0.741 1.871 -1.403) 2.453 8.690 ( -0.555 1.843 0.572) 2.008 8.708 ( -1.552 0.921 0.465) 1.864 9.290 ( 2.777 -0.763 0.610) 2.944 9.356 ( 2.987 -0.825 -0.883) 3.222 9.382 ( -2.639 -1.070 0.125) 2.851 9.487 ( 0.484 -1.599 -0.025) 1.671 9.538 ( 0.671 -1.281 -0.902) 1.704 9.611 ( 0.197 -3.683 0.571) 3.732 9.737 ( 4.749 0.742 -1.947) 5.186 9.864 ( 4.336 0.639 3.274) 5.471 10.442 ( -1.287 0.791 -0.568) 1.614 10.467 ( -1.807 -0.008 0.789) 1.972 10.610 ( -3.225 -0.499 1.243) 3.492 10.659 ( -2.207 0.143 -1.708) 2.795 ======================= Grid point 100 (38/70) ======================= q-point: ( 0.44 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -2.026 2.321 0.804) 3.183 0.578 ( 4.159 2.723 0.913) 5.054 0.642 ( 0.091 4.657 2.269) 5.181 0.680 ( 0.295 1.924 -1.917) 2.732 0.764 ( 2.054 2.358 3.072) 4.384 0.851 ( -0.390 -1.431 0.877) 1.724 0.874 ( 0.699 -2.950 -2.931) 4.217 0.929 ( 1.571 -2.926 -3.535) 4.851 1.005 ( 2.095 -1.374 2.127) 3.286 1.044 ( 0.567 0.246 -2.451) 2.528 1.053 ( 0.484 2.057 2.781) 3.493 1.124 ( 0.636 0.199 -2.248) 2.345 1.190 ( -0.508 3.419 1.782) 3.889 1.232 ( 3.376 3.181 2.177) 5.123 1.281 ( -1.321 -0.818 -0.693) 1.701 1.338 ( 0.768 -1.729 1.071) 2.174 1.378 ( 3.127 1.611 -1.913) 4.004 1.456 ( 2.907 -3.706 -0.577) 4.745 1.530 ( 1.892 -2.678 -2.192) 3.944 1.610 ( 0.043 -2.769 3.125) 4.175 1.726 ( -1.449 -1.157 0.631) 1.959 1.733 ( -1.763 -2.435 -0.470) 3.043 1.834 ( -2.711 2.333 -0.823) 3.670 1.866 ( 0.151 1.047 0.744) 1.293 1.973 ( -2.064 -2.920 -0.043) 3.576 2.077 ( 0.557 -0.020 -2.201) 2.271 2.117 ( -1.881 4.501 0.524) 4.907 2.158 ( 1.585 -2.591 0.078) 3.038 2.227 ( -0.313 -1.357 2.141) 2.555 2.257 ( -1.177 -2.348 -1.794) 3.181 2.376 ( -2.016 -4.281 1.450) 4.949 2.461 ( 3.385 2.820 -0.453) 4.430 2.491 ( 1.996 -0.251 -0.114) 2.015 2.607 ( 3.966 -1.269 -1.807) 4.540 2.671 ( -0.565 -1.733 0.661) 1.939 2.766 ( 3.540 -2.316 0.835) 4.312 2.826 ( -0.408 -0.447 -0.191) 0.635 3.044 ( -3.922 -2.039 2.007) 4.854 3.206 ( 5.645 -3.594 -3.122) 7.384 3.248 ( -1.420 -2.281 -0.450) 2.724 3.546 ( 0.442 -3.980 1.228) 4.189 3.588 ( -1.989 -1.852 -0.037) 2.718 3.783 ( -0.802 1.119 0.501) 1.465 3.831 ( 0.735 -0.123 -1.197) 1.410 4.206 ( 0.146 -4.957 2.715) 5.654 4.380 ( 1.827 -3.591 -0.602) 4.073 4.392 ( -0.829 -4.167 -1.451) 4.490 4.472 ( -1.278 -3.760 0.216) 3.977 5.770 ( -0.188 4.275 0.366) 4.294 5.810 ( 0.182 1.994 -0.417) 2.045 5.951 ( 0.490 6.000 0.244) 6.025 5.957 ( -1.017 4.867 -0.178) 4.975 6.644 ( 1.210 2.190 0.049) 2.502 6.831 ( 1.607 0.644 -0.072) 1.733 6.980 ( -0.233 -0.690 -0.378) 0.821 7.023 ( -0.572 -0.330 0.380) 0.762 7.222 ( 0.627 0.373 -0.021) 0.730 7.263 ( 2.103 0.573 0.063) 2.180 7.486 ( 0.451 -1.916 0.112) 1.971 7.520 ( -1.981 -0.617 -0.035) 2.075 7.854 ( -1.045 -0.577 0.980) 1.544 7.883 ( -0.533 -0.207 -1.061) 1.205 7.949 ( -0.450 0.553 0.990) 1.220 7.980 ( 0.789 0.791 -0.444) 1.203 8.223 ( -1.151 1.454 -0.233) 1.869 8.263 ( 1.377 0.959 -1.327) 2.139 8.371 ( -0.676 -1.111 -0.922) 1.594 8.406 ( -0.173 -0.152 2.308) 2.320 8.550 ( 0.393 0.110 0.106) 0.422 8.596 ( -0.640 1.756 -1.084) 2.161 8.657 ( -0.514 1.382 0.145) 1.482 8.680 ( -1.450 0.609 0.405) 1.624 9.332 ( 2.293 -0.243 0.185) 2.314 9.367 ( -1.714 -0.383 1.262) 2.163 9.396 ( 0.655 -1.432 -1.527) 2.194 9.520 ( 0.064 -1.289 0.671) 1.455 9.561 ( 1.661 -0.758 -1.478) 2.349 9.673 ( -0.263 -2.876 0.571) 2.944 9.747 ( 4.409 2.080 -1.001) 4.977 9.886 ( 2.173 1.274 1.707) 3.043 10.418 ( -0.944 0.450 0.131) 1.054 10.463 ( -1.175 -0.913 -0.249) 1.509 10.595 ( -2.330 -0.506 0.952) 2.567 10.637 ( -1.773 -0.400 -1.046) 2.097 ======================= Grid point 101 (39/70) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -2.661 -0.023 2.809) 3.869 0.556 ( 0.481 4.362 1.690) 4.703 0.581 ( 3.903 2.377 1.760) 4.897 0.661 ( 1.978 0.603 -1.667) 2.656 0.763 ( 1.295 0.766 0.838) 1.722 0.874 ( -0.485 -1.113 0.102) 1.218 0.923 ( -0.465 -1.445 -0.576) 1.624 0.954 ( -0.709 2.527 0.650) 2.704 0.968 ( -0.394 -0.636 0.111) 0.756 1.039 ( 2.911 0.847 -2.174) 3.731 1.076 ( 2.933 -0.639 1.430) 3.325 1.125 ( 0.017 0.093 -0.653) 0.660 1.159 ( 0.742 0.949 -0.359) 1.257 1.226 ( -0.636 -0.796 1.099) 1.499 1.291 ( 0.214 2.354 -1.528) 2.815 1.331 ( 3.091 2.021 0.421) 3.717 1.368 ( 1.087 -0.645 -0.144) 1.272 1.573 ( 0.053 -0.778 -2.782) 2.889 1.584 ( 2.797 -3.212 -0.569) 4.297 1.636 ( -0.247 -0.546 3.999) 4.044 1.688 ( -1.660 2.478 -0.912) 3.119 1.735 ( -0.605 -0.508 0.966) 1.248 1.809 ( -1.001 -2.004 -1.625) 2.767 1.893 ( -0.765 -3.334 -0.146) 3.423 1.979 ( -1.624 1.105 0.810) 2.125 2.035 ( -3.311 1.345 0.167) 3.578 2.057 ( -4.647 -1.681 -0.549) 4.972 2.116 ( -4.393 3.326 0.521) 5.534 2.283 ( 1.940 -0.258 0.693) 2.076 2.330 ( 2.365 -3.058 0.381) 3.884 2.400 ( 4.020 3.073 -2.790) 5.778 2.427 ( -0.960 -2.171 1.285) 2.699 2.562 ( 2.109 -1.666 1.172) 2.932 2.605 ( -0.278 1.950 -0.095) 1.972 2.682 ( -0.165 -0.039 -2.265) 2.271 2.771 ( -3.078 1.842 4.340) 5.630 2.877 ( 5.393 -2.374 -5.237) 7.884 3.040 ( -4.539 -0.575 3.099) 5.527 3.249 ( -1.463 -0.089 0.531) 1.559 3.277 ( 3.903 -0.191 -2.450) 4.612 3.587 ( -3.518 -1.691 3.199) 5.047 3.624 ( 1.312 -1.471 -2.162) 2.925 3.777 ( 1.893 -1.002 -0.574) 2.218 3.839 ( 0.260 0.004 0.043) 0.264 4.280 ( 1.054 -1.656 1.630) 2.552 4.420 ( 0.571 -0.999 -0.531) 1.267 4.457 ( 0.206 -2.703 -0.991) 2.887 4.510 ( -1.105 -1.429 0.311) 1.833 5.724 ( 0.982 1.194 0.240) 1.565 5.795 ( 0.502 -0.270 -0.344) 0.665 5.861 ( -0.827 3.863 0.375) 3.968 5.884 ( -0.732 1.577 -0.280) 1.761 6.635 ( 2.761 1.102 0.085) 2.974 6.839 ( 2.326 0.596 -0.089) 2.403 6.963 ( -4.109 0.229 -0.239) 4.122 7.012 ( -0.963 0.768 0.223) 1.252 7.229 ( 1.382 -0.176 0.075) 1.395 7.284 ( 3.978 0.407 -0.092) 4.000 7.484 ( -3.939 0.461 0.062) 3.966 7.512 ( -1.604 -0.835 -0.038) 1.808 7.861 ( -0.825 -0.930 1.184) 1.717 7.883 ( 0.038 -0.421 -0.575) 0.714 7.934 ( -0.776 0.779 1.183) 1.615 7.973 ( 1.167 0.725 -1.551) 2.072 8.201 ( -0.874 0.142 0.580) 1.058 8.255 ( 1.157 0.705 -1.395) 1.945 8.393 ( 0.169 -1.865 -0.710) 2.002 8.412 ( 0.140 0.146 1.361) 1.376 8.552 ( 0.059 0.542 0.151) 0.565 8.577 ( 1.219 0.011 -0.293) 1.254 8.639 ( -0.335 0.074 -0.235) 0.416 8.667 ( -0.949 -0.356 0.278) 1.051 9.320 ( -1.715 1.271 0.484) 2.189 9.358 ( -2.158 0.349 -0.348) 2.213 9.426 ( 1.883 -0.712 0.320) 2.038 9.529 ( -0.908 -0.155 0.031) 0.922 9.585 ( 2.812 0.220 -1.252) 3.086 9.702 ( -1.359 -0.659 1.055) 1.843 9.750 ( 4.281 1.764 -0.870) 4.711 9.875 ( 0.197 1.523 0.742) 1.706 10.413 ( -0.109 -0.223 0.185) 0.309 10.467 ( -1.180 -0.779 -0.253) 1.437 10.602 ( -0.334 -1.590 0.295) 1.652 10.633 ( -0.870 -0.970 -0.326) 1.343 ======================= Grid point 103 (40/70) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -1.755 -2.179 4.704) 5.473 0.526 ( 0.441 -0.127 4.042) 4.068 0.602 ( 4.801 0.450 -0.715) 4.875 0.671 ( 0.845 -0.344 0.528) 1.054 0.757 ( -0.047 0.523 -1.505) 1.594 0.855 ( -0.694 2.197 1.832) 2.944 0.915 ( -0.021 2.022 -0.387) 2.059 0.955 ( 1.464 0.418 1.910) 2.442 0.964 ( -1.034 -0.656 1.015) 1.590 1.052 ( 2.916 -0.063 -0.926) 3.060 1.105 ( -1.912 0.374 -0.248) 1.964 1.134 ( 2.714 -1.174 -4.548) 5.425 1.160 ( -1.018 -0.834 -0.903) 1.596 1.197 ( 1.867 4.945 -0.513) 5.310 1.241 ( -0.980 -0.663 0.990) 1.543 1.356 ( -1.257 0.463 -1.165) 1.775 1.387 ( 4.369 0.669 1.588) 4.696 1.470 ( -3.010 7.085 -0.943) 7.755 1.560 ( 1.279 1.854 -2.858) 3.638 1.653 ( -0.772 1.727 3.142) 3.668 1.736 ( -1.326 -0.222 1.040) 1.699 1.763 ( 2.607 -4.630 0.839) 5.379 1.846 ( -0.924 -1.527 -0.826) 1.967 1.902 ( -4.409 -0.066 -0.249) 4.417 1.943 ( 1.829 0.740 0.100) 1.976 2.018 ( -4.009 -1.493 -0.879) 4.367 2.038 ( -2.280 -3.298 0.736) 4.076 2.061 ( -3.452 -1.589 -0.318) 3.814 2.235 ( 0.637 6.649 0.093) 6.680 2.314 ( -0.308 3.901 1.954) 4.374 2.436 ( -0.158 0.900 -0.455) 1.020 2.467 ( 3.846 -2.574 -1.455) 4.851 2.527 ( -2.564 2.871 0.143) 3.853 2.564 ( -0.131 1.617 -1.210) 2.024 2.705 ( 1.934 -0.852 -0.448) 2.160 2.729 ( -0.481 1.997 1.736) 2.689 2.929 ( 3.459 -0.624 -4.650) 5.829 2.986 ( -5.519 2.607 3.564) 7.068 3.227 ( -1.695 1.552 2.064) 3.089 3.277 ( 2.461 2.553 -1.885) 4.016 3.580 ( -3.456 0.324 4.476) 5.664 3.627 ( 2.430 1.209 -2.874) 3.953 3.825 ( 0.532 0.748 0.585) 1.088 3.845 ( 2.080 -2.871 -2.873) 4.563 4.288 ( 1.008 2.585 2.045) 3.447 4.422 ( 0.410 1.561 -1.560) 2.245 4.460 ( 0.243 2.490 0.112) 2.504 4.512 ( -0.611 -0.074 0.312) 0.690 5.747 ( 1.987 -1.903 0.170) 2.757 5.808 ( 0.484 0.595 -0.378) 0.855 5.836 ( -0.733 -3.476 0.680) 3.617 5.893 ( -0.977 -3.327 -0.507) 3.504 6.659 ( 4.066 -0.177 0.044) 4.070 6.852 ( 2.934 0.706 0.145) 3.021 6.903 ( -6.709 0.249 -0.323) 6.721 6.981 ( -2.029 1.122 0.164) 2.325 7.253 ( 2.326 -0.206 0.178) 2.342 7.317 ( 5.093 0.736 -0.249) 5.152 7.425 ( -5.154 1.085 0.091) 5.268 7.498 ( -3.273 -0.204 -0.213) 3.286 7.882 ( -0.299 -1.640 1.367) 2.156 7.889 ( 0.340 0.243 0.910) 1.002 7.924 ( -0.353 -0.358 -0.389) 0.636 7.963 ( 0.399 0.523 -1.689) 1.813 8.202 ( -0.593 -0.664 1.115) 1.427 8.256 ( 1.004 -0.339 -1.197) 1.599 8.413 ( 0.718 0.329 0.457) 0.912 8.426 ( 0.416 -1.244 -0.780) 1.526 8.551 ( 1.128 -0.163 0.275) 1.172 8.594 ( 0.613 -0.588 0.061) 0.852 8.648 ( 0.258 -1.176 -0.175) 1.217 8.679 ( -0.365 -1.530 0.085) 1.575 9.276 ( -2.188 1.542 -0.009) 2.677 9.311 ( -3.602 1.587 0.517) 3.970 9.450 ( 2.091 0.254 0.240) 2.120 9.515 ( -1.001 0.467 -0.541) 1.230 9.589 ( 2.929 1.940 -1.080) 3.675 9.679 ( -2.557 1.369 0.853) 3.024 9.749 ( 1.984 2.185 1.053) 3.133 9.851 ( -0.223 0.742 -1.111) 1.355 10.420 ( 0.026 -0.367 0.917) 0.988 10.473 ( -0.245 -1.058 -1.044) 1.506 10.632 ( -0.100 -1.281 1.342) 1.858 10.659 ( 1.098 -2.046 -1.120) 2.578 ======================= Grid point 104 (41/70) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -0.042 -0.771 5.717) 5.769 0.587 ( 1.685 -2.663 4.090) 5.163 0.628 ( 0.402 0.680 1.227) 1.459 0.697 ( 1.824 -1.055 1.513) 2.594 0.739 ( -0.859 -0.062 -2.765) 2.896 0.807 ( 1.009 6.915 1.064) 7.068 0.824 ( -2.658 2.584 0.467) 3.736 0.968 ( 2.482 1.912 1.637) 3.534 0.975 ( -1.187 -0.738 1.145) 1.807 1.024 ( -1.597 5.663 -3.262) 6.727 1.076 ( 0.897 1.117 -2.306) 2.714 1.125 ( 0.740 -2.788 -2.571) 3.864 1.166 ( 1.601 2.434 -0.411) 2.943 1.173 ( -2.320 1.656 -0.976) 3.013 1.240 ( -0.046 0.232 -0.488) 0.542 1.270 ( -4.075 3.708 -1.503) 5.711 1.347 ( 0.364 3.491 2.450) 4.280 1.424 ( 2.066 0.708 -0.046) 2.184 1.556 ( 4.291 0.938 -2.369) 4.990 1.597 ( -3.403 1.542 1.349) 3.972 1.709 ( -2.790 3.471 1.078) 4.582 1.782 ( -4.771 1.490 -0.708) 5.048 1.808 ( 0.692 3.278 3.449) 4.808 1.871 ( -0.857 0.809 2.314) 2.597 1.979 ( 0.076 4.577 -1.802) 4.919 2.032 ( 3.439 -3.536 -0.606) 4.970 2.066 ( 4.255 2.991 -1.957) 5.557 2.111 ( -0.856 -6.595 1.716) 6.868 2.177 ( -1.064 -4.549 -0.887) 4.756 2.209 ( -8.621 0.562 -0.608) 8.661 2.419 ( 2.989 1.957 -0.012) 3.572 2.476 ( -0.510 1.677 -0.574) 1.844 2.496 ( 0.004 1.809 1.073) 2.103 2.548 ( 1.997 0.898 -2.759) 3.523 2.670 ( 0.365 3.829 1.476) 4.120 2.710 ( 0.099 3.630 -0.296) 3.644 2.886 ( -5.560 1.736 4.887) 7.604 2.945 ( 3.443 1.300 -5.077) 6.270 3.182 ( -1.971 2.315 2.611) 4.007 3.227 ( 1.837 4.270 -1.950) 5.041 3.546 ( -2.906 1.923 4.815) 5.944 3.616 ( 3.338 1.868 -3.959) 5.505 3.808 ( -0.874 0.861 2.432) 2.724 3.899 ( 2.090 -1.803 -4.661) 5.417 4.228 ( -0.010 5.741 3.088) 6.518 4.337 ( -0.650 5.881 -3.645) 6.950 4.417 ( 1.240 3.704 2.776) 4.792 4.491 ( -0.282 2.205 -0.684) 2.325 5.805 ( 0.311 -2.295 1.066) 2.549 5.836 ( 1.583 -3.363 -1.692) 4.084 5.922 ( -0.549 -5.781 1.553) 6.011 5.959 ( -0.696 -4.900 -1.147) 5.081 6.718 ( 5.112 -1.594 0.004) 5.355 6.836 ( -6.200 -0.412 0.136) 6.215 6.877 ( 2.804 -0.096 -0.203) 2.812 6.940 ( -3.221 0.653 0.078) 3.288 7.275 ( 2.923 0.724 0.322) 3.028 7.332 ( 0.767 2.168 -0.190) 2.308 7.369 ( -0.830 0.713 0.362) 1.152 7.458 ( -4.002 0.405 -1.004) 4.146 7.886 ( -0.204 0.526 1.780) 1.867 7.922 ( 1.598 -0.727 -0.324) 1.785 7.931 ( -0.471 -1.403 -0.287) 1.507 7.960 ( -0.528 -0.998 -1.002) 1.510 8.222 ( 0.094 -1.449 2.063) 2.523 8.278 ( 0.836 -1.343 -0.790) 1.768 8.412 ( 0.579 0.616 -0.279) 0.890 8.435 ( 0.014 -0.126 -1.482) 1.488 8.581 ( 2.094 -1.191 -0.078) 2.410 8.609 ( -0.601 -1.018 0.485) 1.277 8.680 ( 0.539 -1.862 0.319) 1.964 8.707 ( -0.283 -1.904 -0.352) 1.957 9.230 ( -1.461 1.610 0.273) 2.191 9.255 ( -2.826 1.073 0.254) 3.033 9.459 ( 1.529 0.863 0.173) 1.764 9.491 ( -0.621 1.107 -0.849) 1.527 9.567 ( 2.872 3.181 -0.804) 4.360 9.616 ( -3.381 2.648 0.446) 4.318 9.718 ( -0.730 2.631 3.504) 4.442 9.837 ( 0.215 0.269 -3.870) 3.885 10.434 ( 0.276 -0.633 1.721) 1.854 10.488 ( 0.076 -1.062 -1.327) 1.701 10.656 ( -0.092 -0.968 1.967) 2.194 10.701 ( 1.543 -1.593 -1.798) 2.855 ======================= Grid point 105 (42/70) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -0.423 4.666 8.650) 9.837 0.560 ( 0.061 7.664 5.634) 9.512 0.632 ( -0.440 2.993 -3.722) 4.796 0.690 ( -0.314 0.524 3.382) 3.437 0.721 ( -0.351 1.090 -4.637) 4.776 0.760 ( 3.202 3.014 3.492) 5.615 0.784 ( -0.583 -2.579 -2.998) 3.998 0.849 ( 0.899 9.022 -4.039) 9.926 0.975 ( -1.495 -0.072 2.882) 3.247 0.990 ( -2.482 -1.686 2.316) 3.791 1.037 ( 1.484 7.214 -1.081) 7.444 1.050 ( -3.264 5.912 -1.153) 6.851 1.101 ( 1.416 2.361 0.816) 2.872 1.152 ( 1.214 2.927 -3.328) 4.595 1.203 ( -0.828 0.104 -0.705) 1.093 1.224 ( 0.639 1.062 -2.335) 2.643 1.351 ( 1.507 0.531 2.630) 3.077 1.399 ( 0.076 1.547 -1.473) 2.137 1.519 ( -0.432 8.173 7.146) 10.865 1.577 ( -3.444 2.032 4.051) 5.692 1.629 ( 0.374 -2.864 -2.642) 3.914 1.728 ( 0.955 1.182 -2.384) 2.827 1.733 ( -2.647 1.130 0.647) 2.950 1.818 ( 3.723 9.057 -8.304) 12.839 1.925 ( 1.915 -0.358 5.557) 5.889 2.047 ( 1.296 -2.454 -4.249) 5.075 2.134 ( 1.400 -1.609 1.015) 2.362 2.158 ( -5.495 -1.947 -1.590) 6.043 2.231 ( 1.214 -4.161 1.612) 4.624 2.274 ( 1.528 -3.904 -2.433) 4.847 2.398 ( -2.562 3.272 1.446) 4.400 2.425 ( 1.613 4.499 -0.163) 4.782 2.475 ( -0.272 0.501 1.172) 1.304 2.518 ( -0.002 0.667 -2.204) 2.303 2.590 ( -0.963 1.952 4.411) 4.919 2.675 ( 1.517 0.266 -2.534) 2.965 2.849 ( -3.536 0.726 4.003) 5.390 2.931 ( 3.515 2.054 -2.996) 5.054 3.126 ( -1.862 2.881 1.286) 3.663 3.160 ( 1.814 4.536 -1.547) 5.125 3.497 ( -2.183 2.492 4.032) 5.219 3.595 ( 3.058 2.005 -4.975) 6.174 3.803 ( -1.536 -0.259 4.258) 4.534 3.914 ( 0.923 -0.338 -5.385) 5.474 4.114 ( -1.841 7.180 4.430) 8.635 4.215 ( 0.957 5.991 -4.175) 7.364 4.369 ( 0.694 4.038 3.526) 5.406 4.428 ( -0.393 3.698 -1.679) 4.080 5.849 ( 0.126 -1.950 1.474) 2.448 5.897 ( -0.056 -2.519 -2.698) 3.691 6.018 ( -1.139 -5.009 0.985) 5.231 6.037 ( 1.072 -4.026 -0.638) 4.215 6.799 ( 1.972 -1.357 0.236) 2.406 6.807 ( -1.789 -2.372 -0.385) 2.996 6.900 ( -1.464 -0.252 0.711) 1.647 6.917 ( 1.271 -0.802 -0.692) 1.654 7.270 ( -0.861 1.799 1.023) 2.241 7.294 ( 1.680 1.348 -0.766) 2.286 7.348 ( -1.555 2.535 2.005) 3.587 7.416 ( 0.772 1.309 -3.696) 3.996 7.881 ( -0.609 0.387 1.534) 1.695 7.915 ( 0.672 0.981 -1.187) 1.680 7.969 ( -0.390 -1.458 -0.250) 1.530 7.975 ( 0.244 -1.328 -0.409) 1.411 8.277 ( 1.083 -2.861 3.141) 4.384 8.305 ( -0.453 -1.519 0.227) 1.601 8.397 ( 0.209 1.109 -0.428) 1.207 8.433 ( -0.471 -0.925 -2.303) 2.527 8.612 ( -0.840 -0.593 0.100) 1.033 8.624 ( 1.182 -0.956 -0.830) 1.732 8.721 ( 0.159 -1.954 0.850) 2.137 8.734 ( -0.446 -1.657 -0.448) 1.773 9.201 ( -0.265 0.813 1.262) 1.525 9.228 ( 0.254 0.317 -0.956) 1.039 9.443 ( -1.185 1.230 0.689) 1.842 9.470 ( 2.510 1.431 -1.542) 3.275 9.528 ( -0.244 3.212 0.186) 3.226 9.539 ( 0.040 3.064 -0.523) 3.109 9.674 ( -1.492 2.866 4.700) 5.704 9.800 ( -0.220 2.288 -6.639) 7.025 10.464 ( 0.445 -1.577 2.503) 2.992 10.499 ( -0.433 -0.722 -0.731) 1.115 10.674 ( -0.752 -0.527 2.026) 2.225 10.727 ( 0.920 -0.913 -2.364) 2.696 ======================= Grid point 109 (43/70) ======================= q-point: ( 0.22 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 3.951 -0.000 -0.728) 4.017 0.604 ( 6.985 -0.000 -0.182) 6.988 0.611 ( 5.813 -0.000 -2.919) 6.505 0.644 ( 4.730 -0.000 8.740) 9.937 0.721 ( 5.710 -0.000 -1.199) 5.835 0.811 ( -1.788 0.000 3.598) 4.018 0.870 ( 3.450 -0.000 0.484) 3.484 0.942 ( 3.654 -0.000 0.376) 3.674 1.034 ( 0.967 -0.000 4.661) 4.761 1.037 ( 3.084 -0.000 -0.504) 3.125 1.068 ( 5.419 -0.000 -2.351) 5.907 1.107 ( 3.619 -0.000 -2.773) 4.559 1.171 ( 0.606 -0.000 0.033) 0.607 1.208 ( 2.635 -0.000 -2.028) 3.325 1.243 ( 1.659 -0.000 3.638) 3.998 1.260 ( 2.695 -0.000 -1.192) 2.947 1.376 ( 1.147 -0.000 -4.072) 4.230 1.393 ( 3.217 -0.000 1.383) 3.501 1.545 ( 5.163 -0.000 7.286) 8.930 1.552 ( 1.918 -0.000 -7.407) 7.651 1.668 ( -7.334 0.000 4.983) 8.867 1.703 ( 6.731 -0.000 -4.249) 7.960 1.741 ( 5.534 -0.000 0.961) 5.617 1.786 ( 3.085 -0.000 -1.558) 3.456 2.005 ( -1.405 0.000 1.203) 1.850 2.007 ( -1.290 0.000 -0.372) 1.342 2.063 ( -1.234 0.000 0.269) 1.263 2.088 ( -6.564 0.000 0.018) 6.564 2.233 ( 2.128 -0.000 0.756) 2.258 2.293 ( 3.304 -0.000 -2.558) 4.179 2.393 ( -2.864 0.000 -0.044) 2.864 2.415 ( 2.924 -0.000 -1.029) 3.100 2.430 ( 3.777 -0.000 -1.590) 4.098 2.508 ( 0.111 -0.000 0.522) 0.534 2.679 ( -2.888 0.000 1.924) 3.470 2.681 ( -1.283 0.000 -1.179) 1.742 2.773 ( -0.335 0.000 2.782) 2.802 2.983 ( 3.603 -0.000 -1.091) 3.765 3.008 ( -0.740 0.000 -2.137) 2.262 3.023 ( 1.629 -0.000 0.792) 1.811 3.460 ( -1.593 0.000 2.585) 3.036 3.588 ( 3.283 -0.000 -6.919) 7.659 3.794 ( -4.037 0.000 1.066) 4.176 3.866 ( 2.133 -0.000 1.094) 2.398 3.962 ( -2.359 0.000 4.816) 5.363 4.163 ( 5.741 -0.000 -3.005) 6.480 4.237 ( -3.890 0.000 1.982) 4.366 4.335 ( 0.386 -0.000 -1.715) 1.758 5.896 ( 1.699 -0.000 -0.064) 1.701 5.928 ( 2.185 -0.000 -0.034) 2.185 6.121 ( 1.288 -0.000 -0.238) 1.310 6.174 ( 1.943 -0.000 0.310) 1.968 6.776 ( -1.262 0.000 -1.737) 2.147 6.842 ( 1.018 -0.000 2.411) 2.617 6.949 ( -0.688 0.000 -2.344) 2.443 6.975 ( 0.444 -0.000 1.668) 1.726 7.239 ( 1.652 -0.000 -0.218) 1.667 7.281 ( 1.877 -0.000 1.293) 2.279 7.364 ( 1.884 -0.000 -1.409) 2.353 7.415 ( 0.413 -0.000 0.041) 0.415 7.841 ( -1.425 0.000 0.948) 1.712 7.883 ( -0.115 0.000 -1.956) 1.960 7.967 ( -1.006 0.000 0.371) 1.073 7.978 ( -0.854 0.000 0.600) 1.043 8.289 ( 0.352 -0.000 0.926) 0.990 8.354 ( 1.092 -0.000 1.437) 1.805 8.364 ( -1.739 0.000 -2.646) 3.166 8.383 ( -1.125 0.000 -0.012) 1.125 8.597 ( -0.219 0.000 0.224) 0.313 8.685 ( 0.469 -0.000 -1.318) 1.399 8.731 ( -1.121 0.000 -0.383) 1.185 8.731 ( -0.630 0.000 1.363) 1.501 9.280 ( 0.560 -0.000 1.347) 1.459 9.312 ( 1.353 -0.000 -3.121) 3.401 9.400 ( -1.881 0.000 0.825) 2.054 9.420 ( -2.525 0.000 1.410) 2.892 9.495 ( 1.387 -0.000 -0.748) 1.576 9.544 ( 1.059 -0.000 1.223) 1.618 9.734 ( 9.050 -0.000 -5.537) 10.610 9.883 ( 6.503 -0.000 6.589) 9.258 10.456 ( -1.368 0.000 -1.171) 1.801 10.479 ( -3.018 0.000 1.626) 3.428 10.593 ( -3.898 0.000 1.441) 4.155 10.669 ( -2.671 0.000 -1.981) 3.325 ======================= Grid point 110 (44/70) ======================= q-point: ( 0.33 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 2.767 2.599 -3.939) 5.470 0.648 ( 2.582 -0.434 1.183) 2.873 0.686 ( 1.429 -0.025 3.248) 3.549 0.729 ( 5.496 -0.738 0.909) 5.619 0.768 ( 5.736 -1.035 0.113) 5.830 0.824 ( 0.953 -0.818 4.348) 4.525 0.903 ( 2.743 0.435 1.436) 3.127 0.936 ( 2.043 5.298 -2.002) 6.021 1.014 ( 3.185 3.709 -4.463) 6.620 1.020 ( 1.878 1.707 2.224) 3.375 1.079 ( 0.360 0.132 2.499) 2.528 1.159 ( 1.998 -1.126 -0.733) 2.408 1.189 ( 3.738 -1.844 -2.108) 4.671 1.226 ( 0.022 -0.693 -2.449) 2.545 1.282 ( 0.538 -2.538 1.760) 3.135 1.318 ( 1.282 -3.647 -0.534) 3.902 1.381 ( 3.852 0.380 -1.519) 4.159 1.424 ( 2.252 0.577 1.405) 2.716 1.470 ( -2.105 4.855 0.495) 5.315 1.624 ( 1.883 -1.004 1.512) 2.615 1.652 ( 0.751 0.473 2.503) 2.655 1.735 ( 0.044 -1.220 -0.892) 1.512 1.819 ( 1.577 -3.022 -2.926) 4.492 1.824 ( 0.033 -2.554 -0.300) 2.572 1.952 ( -2.589 1.037 -0.942) 2.944 2.015 ( -3.607 0.663 0.156) 3.671 2.051 ( -3.774 -3.924 0.557) 5.473 2.116 ( 6.753 -0.368 2.210) 7.115 2.240 ( 1.443 0.490 0.788) 1.715 2.297 ( 1.922 1.872 -1.293) 2.978 2.368 ( 0.574 1.831 -0.714) 2.047 2.406 ( -2.838 1.018 -0.543) 3.064 2.477 ( 7.912 -3.146 -1.821) 8.707 2.542 ( 2.548 -1.955 0.618) 3.271 2.640 ( -3.383 0.776 0.141) 3.474 2.733 ( 1.938 -3.797 -1.797) 4.626 2.771 ( -0.101 0.664 3.219) 3.288 2.973 ( -3.438 -0.662 1.273) 3.725 3.061 ( 5.839 -3.287 -3.978) 7.793 3.091 ( 0.619 -4.588 1.322) 4.815 3.464 ( -0.441 -0.729 2.704) 2.835 3.574 ( 0.947 1.502 -4.670) 4.996 3.776 ( -2.548 -1.390 0.916) 3.044 3.865 ( 1.122 1.484 -4.121) 4.521 4.012 ( -0.528 -4.555 8.199) 9.394 4.222 ( -0.083 -2.712 0.100) 2.715 4.249 ( 1.264 -3.738 -1.260) 4.142 4.351 ( -0.121 -2.035 -1.558) 2.566 5.895 ( 1.707 1.985 0.366) 2.644 5.926 ( 0.990 2.564 -0.446) 2.784 6.108 ( 0.774 2.710 0.404) 2.848 6.156 ( 1.499 4.008 -0.331) 4.292 6.735 ( -0.377 2.399 -0.506) 2.480 6.868 ( 1.870 0.473 1.480) 2.432 6.931 ( -0.758 -0.729 -1.908) 2.178 6.995 ( 0.312 -1.032 0.993) 1.465 7.250 ( 1.972 0.837 -0.159) 2.149 7.288 ( 1.079 0.751 0.461) 1.393 7.395 ( 1.060 -2.319 -0.062) 2.551 7.446 ( -1.706 -3.069 -0.122) 3.513 7.834 ( -1.413 -0.389 1.082) 1.821 7.876 ( -0.210 -0.198 -2.061) 2.081 7.955 ( -1.067 0.126 0.578) 1.220 7.978 ( -1.020 -0.731 0.587) 1.385 8.292 ( 0.722 0.844 1.333) 1.735 8.316 ( -0.575 2.412 -2.286) 3.373 8.362 ( 0.127 0.212 -2.257) 2.271 8.389 ( -0.048 -0.700 2.604) 2.697 8.585 ( 0.412 1.317 0.373) 1.429 8.666 ( -0.256 1.728 -1.101) 2.065 8.705 ( -1.494 1.139 -0.308) 1.904 8.720 ( -0.640 1.143 0.937) 1.610 9.293 ( 0.685 -0.910 0.381) 1.202 9.328 ( -0.894 -1.812 -1.297) 2.401 9.371 ( -0.207 0.363 0.758) 0.865 9.452 ( -1.156 -3.179 0.770) 3.470 9.513 ( 1.510 -0.951 -1.298) 2.207 9.572 ( 0.757 -1.533 1.135) 2.052 9.795 ( 7.495 0.343 -4.029) 8.516 9.943 ( 4.173 1.395 5.012) 6.670 10.436 ( -1.213 0.311 -1.375) 1.860 10.451 ( -3.268 0.274 1.913) 3.797 10.570 ( -3.247 -0.736 1.118) 3.512 10.634 ( -2.399 0.263 -1.947) 3.100 ======================= Grid point 111 (45/70) ======================= q-point: ( 0.44 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 1.187 3.329 -0.166) 3.538 0.659 ( 1.761 1.133 0.518) 2.157 0.688 ( 0.583 1.947 1.245) 2.384 0.738 ( 2.345 1.864 1.462) 3.334 0.823 ( 0.437 -0.359 0.620) 0.839 0.859 ( 0.782 2.458 0.416) 2.613 0.879 ( 4.744 3.090 -2.213) 6.079 0.915 ( 2.236 1.159 -2.050) 3.248 1.000 ( 4.153 -3.080 -0.085) 5.171 1.034 ( 0.926 -0.374 -0.111) 1.005 1.085 ( -0.301 0.269 3.340) 3.364 1.141 ( -0.429 2.066 -3.531) 4.113 1.241 ( 0.815 -1.380 -0.368) 1.644 1.264 ( 0.275 -1.801 -1.772) 2.541 1.277 ( -0.917 3.755 2.659) 4.692 1.378 ( 3.792 3.212 2.260) 5.459 1.415 ( 3.317 -0.113 -0.009) 3.319 1.423 ( 2.149 -5.095 -1.201) 5.659 1.477 ( 0.863 -3.871 -0.063) 3.967 1.594 ( 0.162 2.470 -0.221) 2.485 1.694 ( 2.130 -0.927 1.266) 2.645 1.734 ( -0.259 0.433 0.754) 0.908 1.821 ( -7.389 -0.943 0.243) 7.453 1.883 ( 1.289 -1.043 1.657) 2.344 1.912 ( -2.020 -0.280 -2.590) 3.296 2.000 ( -5.009 -4.092 -3.221) 7.226 2.104 ( -0.959 -3.476 2.687) 4.497 2.136 ( 3.298 0.831 -0.852) 3.506 2.241 ( -2.914 3.778 0.532) 4.801 2.276 ( -0.865 4.304 -0.975) 4.497 2.315 ( 2.000 -3.111 3.820) 5.317 2.451 ( 3.513 -3.600 -0.184) 5.033 2.565 ( 1.857 2.405 -2.520) 3.947 2.616 ( 0.227 -2.684 -0.412) 2.725 2.625 ( 5.273 -2.617 -2.085) 6.245 2.765 ( 0.498 -0.593 2.953) 3.052 2.814 ( 2.514 -1.876 -1.517) 3.484 2.969 ( -4.359 -2.325 1.713) 5.229 3.174 ( 4.337 -4.239 -2.427) 6.532 3.180 ( 0.560 -4.452 0.376) 4.503 3.499 ( 0.391 -2.076 1.551) 2.621 3.542 ( -2.042 -0.352 -0.909) 2.263 3.783 ( -0.722 -0.608 -0.273) 0.983 3.843 ( 1.443 0.720 -2.009) 2.577 4.132 ( 1.138 -5.294 5.387) 7.639 4.282 ( -2.144 -5.876 -0.145) 6.257 4.338 ( 2.660 -3.497 -1.890) 4.783 4.388 ( -1.147 -3.496 -0.868) 3.781 5.857 ( 0.431 5.065 0.131) 5.085 5.862 ( 0.788 3.269 -0.098) 3.365 6.039 ( -0.625 5.209 0.360) 5.258 6.069 ( 0.776 6.479 -0.399) 6.537 6.699 ( 1.519 2.119 0.125) 2.610 6.869 ( 2.633 1.286 -0.538) 2.980 6.943 ( -2.118 -1.485 0.075) 2.588 7.020 ( 0.758 -0.660 0.393) 1.079 7.243 ( 0.955 0.933 -0.117) 1.340 7.298 ( 2.929 0.444 0.185) 2.968 7.444 ( -0.862 -2.493 0.222) 2.647 7.468 ( -3.445 -2.138 -0.133) 4.057 7.836 ( -1.164 -0.689 1.058) 1.718 7.871 ( -0.144 -0.184 -1.745) 1.760 7.950 ( -0.691 -0.164 0.747) 1.031 7.984 ( -0.804 -0.531 0.579) 1.124 8.252 ( -0.301 2.742 -0.762) 2.862 8.293 ( 1.561 1.107 -0.531) 1.986 8.350 ( -0.335 -0.089 -1.679) 1.714 8.408 ( -0.091 -0.341 1.927) 1.959 8.569 ( 0.971 1.225 0.666) 1.699 8.622 ( -0.277 2.102 -0.921) 2.311 8.671 ( -1.523 0.943 -0.178) 1.800 8.687 ( -1.127 1.716 0.502) 2.113 9.325 ( -1.409 -1.989 0.183) 2.445 9.339 ( -0.065 -0.941 -0.405) 1.026 9.389 ( 1.543 -0.894 0.552) 1.867 9.496 ( 0.059 -1.905 0.291) 1.928 9.549 ( 1.855 -1.757 -1.544) 2.986 9.618 ( -0.190 -2.953 0.772) 3.059 9.829 ( 6.026 1.834 -1.814) 6.555 9.952 ( 2.392 2.472 2.560) 4.288 10.413 ( -1.806 0.276 0.560) 1.911 10.433 ( -1.772 -0.689 -0.230) 1.916 10.561 ( -2.673 -0.868 1.048) 2.999 10.607 ( -1.895 -0.306 -1.571) 2.480 ======================= Grid point 112 (46/70) ======================= q-point: ( 0.56 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -0.516 3.825 2.984) 4.878 0.625 ( -1.144 3.156 -1.003) 3.503 0.677 ( 3.901 2.780 1.784) 5.112 0.723 ( 3.503 2.879 1.842) 4.894 0.807 ( 0.758 2.629 0.469) 2.776 0.841 ( -0.504 -1.343 -0.652) 1.576 0.879 ( 1.541 -2.244 -3.731) 4.618 0.923 ( -0.131 -0.074 -1.767) 1.773 1.017 ( 0.906 2.625 -2.100) 3.481 1.084 ( 0.473 -0.638 5.559) 5.615 1.099 ( 2.362 -1.386 -1.040) 2.930 1.119 ( -1.012 0.823 -0.838) 1.550 1.169 ( 0.352 2.448 -1.157) 2.730 1.244 ( -2.347 0.654 2.094) 3.213 1.321 ( 3.735 -0.107 1.187) 3.920 1.368 ( 2.371 1.548 0.267) 2.844 1.431 ( 2.650 3.288 -0.847) 4.307 1.512 ( 2.922 -4.739 -0.606) 5.600 1.541 ( 1.227 -2.266 -1.999) 3.261 1.627 ( -0.494 -4.525 1.339) 4.745 1.714 ( -1.982 2.467 -1.613) 3.552 1.725 ( 0.515 -0.639 1.349) 1.579 1.763 ( -0.958 0.312 1.564) 1.860 1.876 ( -0.617 0.213 -0.853) 1.074 1.924 ( -3.635 -3.158 0.503) 4.842 1.987 ( -5.222 -0.699 -2.970) 6.048 2.068 ( -1.804 5.143 1.697) 5.709 2.153 ( -3.654 3.982 1.432) 5.591 2.238 ( 1.869 -6.083 -0.522) 6.385 2.247 ( -0.384 -4.588 0.699) 4.657 2.393 ( 1.325 -2.117 3.265) 4.111 2.508 ( 2.354 3.784 -3.356) 5.579 2.554 ( 3.590 -3.210 0.165) 4.819 2.645 ( 0.236 1.562 -2.173) 2.687 2.659 ( 1.289 -0.708 -0.283) 1.497 2.778 ( -3.127 1.435 2.625) 4.328 2.875 ( 5.640 -2.668 -3.436) 7.122 2.979 ( -4.356 -2.409 2.067) 5.390 3.225 ( -1.278 -1.734 2.300) 3.151 3.281 ( 4.287 -2.771 -3.104) 5.975 3.525 ( -3.257 -2.184 2.283) 4.538 3.572 ( 0.656 -3.653 -2.477) 4.462 3.787 ( 0.711 0.051 1.154) 1.356 3.845 ( 1.037 0.173 -0.556) 1.189 4.246 ( 1.707 -4.238 2.617) 5.265 4.378 ( -0.138 -5.813 -0.305) 5.823 4.392 ( 0.419 -2.218 -1.978) 3.001 4.447 ( -1.232 -3.971 0.068) 4.158 5.779 ( 0.898 3.832 0.197) 3.941 5.814 ( 0.266 2.296 -0.278) 2.328 5.934 ( -1.417 5.330 0.699) 5.559 5.955 ( 0.145 6.297 -0.627) 6.329 6.691 ( 3.430 1.507 0.316) 3.760 6.873 ( 1.707 0.522 -1.791) 2.528 6.928 ( -3.002 0.523 1.465) 3.381 7.024 ( -0.212 0.763 0.067) 0.794 7.249 ( 2.506 0.152 0.040) 2.511 7.327 ( 4.052 0.085 -0.037) 4.053 7.441 ( -5.165 -0.534 0.081) 5.193 7.472 ( -2.578 -1.381 -0.022) 2.925 7.842 ( -0.904 -0.732 1.036) 1.558 7.870 ( 0.101 -0.457 -1.339) 1.418 7.947 ( -0.596 0.499 1.457) 1.651 7.984 ( 0.126 -0.006 -0.621) 0.634 8.212 ( -0.021 1.533 0.344) 1.571 8.279 ( 0.998 1.363 -1.770) 2.447 8.359 ( 0.369 -1.540 -0.540) 1.673 8.412 ( -0.620 -0.167 0.913) 1.116 8.566 ( 0.667 0.574 0.958) 1.301 8.596 ( 1.218 0.792 -0.433) 1.516 8.641 ( -0.922 1.029 -0.562) 1.492 8.654 ( -1.588 0.350 0.372) 1.668 9.320 ( -2.214 0.202 0.932) 2.411 9.348 ( -0.494 0.151 -1.167) 1.276 9.432 ( 2.406 -1.234 0.986) 2.878 9.516 ( -0.374 -0.589 -0.509) 0.863 9.594 ( 2.548 -1.451 -1.362) 3.233 9.665 ( -1.296 -2.402 0.867) 2.864 9.834 ( 4.786 2.823 -0.461) 5.576 9.925 ( 0.701 2.924 0.918) 3.144 10.404 ( -1.044 -0.449 0.894) 1.446 10.435 ( -1.136 -1.140 -0.749) 1.775 10.565 ( -1.182 -1.715 0.582) 2.163 10.599 ( -1.417 -1.145 -0.795) 1.987 ======================= Grid point 113 (47/70) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -0.618 0.369 5.635) 5.680 0.556 ( -1.468 2.392 1.178) 3.044 0.670 ( 3.688 1.849 0.311) 4.137 0.713 ( 2.976 2.722 1.482) 4.297 0.771 ( -0.206 1.911 -1.041) 2.186 0.869 ( -0.728 -2.438 0.888) 2.695 0.889 ( -2.434 0.858 -1.489) 2.980 0.933 ( 0.185 -2.415 -3.056) 3.899 1.006 ( 3.467 0.783 0.416) 3.579 1.053 ( -1.078 1.785 -0.219) 2.097 1.089 ( -1.539 0.531 0.660) 1.757 1.129 ( -1.254 -0.366 -2.361) 2.698 1.187 ( 3.690 0.003 2.106) 4.248 1.227 ( -0.942 -0.343 1.238) 1.593 1.311 ( 3.171 4.784 0.781) 5.792 1.367 ( 0.589 1.263 -0.799) 1.606 1.432 ( 4.381 -0.341 -1.166) 4.547 1.504 ( -4.440 2.426 -1.548) 5.291 1.626 ( 2.796 2.095 -2.104) 4.079 1.671 ( -0.286 -3.025 -0.934) 3.179 1.686 ( 1.578 -2.632 3.780) 4.869 1.732 ( -0.681 -0.610 2.478) 2.641 1.790 ( 0.190 -2.695 -0.718) 2.796 1.863 ( -3.089 0.722 -1.291) 3.425 1.932 ( -1.655 -1.008 -0.843) 2.113 1.955 ( -4.500 -2.988 0.748) 5.453 1.990 ( -0.742 1.816 1.636) 2.554 2.048 ( -1.944 3.796 -1.059) 4.395 2.327 ( 1.728 -1.367 0.957) 2.402 2.353 ( -1.057 -3.914 1.760) 4.420 2.429 ( 1.047 0.311 1.168) 1.599 2.480 ( 5.305 1.205 -2.354) 5.928 2.560 ( -3.188 4.244 -1.046) 5.410 2.582 ( -1.096 2.985 -1.992) 3.752 2.701 ( 4.335 -2.086 -2.018) 5.217 2.726 ( -4.380 -0.300 3.519) 5.626 2.951 ( 4.786 -0.709 -3.496) 5.969 2.971 ( -3.730 -0.354 1.503) 4.037 3.235 ( -1.956 0.265 4.222) 4.661 3.322 ( 2.644 0.430 -3.085) 4.086 3.544 ( -3.582 -2.074 4.249) 5.932 3.629 ( 1.975 -2.298 -4.375) 5.322 3.812 ( 1.333 -1.598 0.322) 2.106 3.841 ( -0.081 0.731 -0.114) 0.744 4.320 ( 1.087 -1.241 2.514) 3.007 4.419 ( 0.015 -1.268 -2.552) 2.850 4.461 ( 1.018 -2.729 -0.053) 2.913 4.486 ( -1.517 -1.886 0.438) 2.459 5.754 ( 1.615 0.428 0.523) 1.751 5.796 ( -0.343 -0.351 -0.821) 0.957 5.846 ( -0.601 3.088 0.815) 3.250 5.868 ( -0.600 2.580 -0.529) 2.701 6.712 ( 4.849 0.811 0.420) 4.934 6.842 ( -5.346 0.491 -1.681) 5.626 6.909 ( 2.795 1.656 1.485) 3.572 6.989 ( -2.178 1.773 -0.158) 2.814 7.283 ( 4.378 -0.100 0.102) 4.380 7.368 ( 4.155 -0.211 -0.325) 4.173 7.388 ( -5.264 0.589 0.272) 5.304 7.457 ( -3.949 -0.464 -0.121) 3.978 7.855 ( -0.715 -1.182 1.197) 1.828 7.883 ( 0.577 -1.173 -1.228) 1.794 7.930 ( -0.882 1.198 2.055) 2.537 7.979 ( 0.767 0.764 -1.835) 2.131 8.199 ( -0.056 0.281 1.396) 1.425 8.259 ( 0.398 0.656 -1.973) 2.117 8.398 ( 0.798 -1.974 -0.436) 2.173 8.413 ( -0.714 -0.459 0.316) 0.906 8.568 ( 1.167 0.359 0.731) 1.423 8.597 ( 0.069 0.545 0.378) 0.667 8.632 ( 0.475 -0.847 -0.689) 1.191 8.647 ( -1.244 -1.009 -0.004) 1.602 9.290 ( -1.291 1.470 0.920) 2.162 9.317 ( -1.225 1.809 -0.642) 2.277 9.469 ( 1.153 -0.388 1.095) 1.637 9.513 ( 0.193 0.141 -1.632) 1.649 9.631 ( 2.870 -0.094 -0.897) 3.008 9.672 ( -2.523 -0.054 0.938) 2.692 9.818 ( 1.773 3.047 1.401) 3.794 9.877 ( 0.371 2.476 -1.134) 2.748 10.411 ( -0.959 -0.765 1.492) 1.932 10.446 ( 0.192 -1.199 -1.530) 1.954 10.600 ( -0.346 -2.226 0.669) 2.350 10.618 ( -0.201 -2.446 -0.581) 2.523 ======================= Grid point 114 (48/70) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -0.593 -2.418 6.580) 7.035 0.536 ( -2.117 -1.067 2.307) 3.308 0.683 ( 3.529 0.428 -1.632) 3.912 0.699 ( -1.126 0.162 -1.549) 1.922 0.746 ( 1.296 1.146 5.420) 5.689 0.835 ( -4.222 1.677 -1.676) 4.842 0.908 ( -1.188 -0.369 -0.062) 1.246 0.917 ( 0.356 1.152 -0.238) 1.229 1.013 ( 0.726 1.285 3.017) 3.359 1.056 ( -1.009 -0.636 -1.449) 1.877 1.071 ( 0.661 -1.038 -2.381) 2.680 1.102 ( 0.801 1.366 -3.652) 3.981 1.215 ( 1.906 1.269 0.661) 2.383 1.225 ( -0.206 0.350 -0.389) 0.563 1.264 ( 1.434 3.957 1.690) 4.536 1.304 ( -0.518 4.109 -1.866) 4.543 1.410 ( -2.159 2.699 0.826) 3.553 1.455 ( 1.100 1.177 -2.212) 2.736 1.606 ( -4.079 3.059 1.011) 5.198 1.618 ( 4.258 2.612 -0.377) 5.010 1.752 ( 2.206 0.487 2.456) 3.337 1.780 ( -2.067 2.223 -0.387) 3.060 1.816 ( 1.334 -3.808 1.218) 4.215 1.857 ( -0.892 -2.800 -1.765) 3.428 1.971 ( -1.889 -3.049 1.401) 3.851 1.983 ( -0.446 -4.593 1.289) 4.791 2.007 ( 0.465 -2.954 -1.110) 3.190 2.019 ( 1.769 -2.674 -1.410) 3.503 2.257 ( -2.039 8.836 2.414) 9.384 2.297 ( 0.904 9.424 -0.458) 9.479 2.452 ( 1.770 -0.869 0.586) 2.057 2.475 ( -1.814 0.264 -0.995) 2.086 2.507 ( -0.398 0.753 -0.247) 0.887 2.549 ( 1.658 -0.945 -3.732) 4.191 2.711 ( -3.074 -0.235 2.991) 4.295 2.763 ( 3.736 0.109 -1.790) 4.144 2.892 ( -5.713 3.196 3.617) 7.479 2.995 ( 6.336 1.093 -5.462) 8.436 3.207 ( -3.210 1.903 4.974) 6.218 3.304 ( 2.386 2.779 -3.255) 4.900 3.551 ( -3.061 -0.179 5.155) 5.998 3.654 ( 2.527 0.257 -3.708) 4.495 3.817 ( -1.605 0.718 1.166) 2.110 3.863 ( 1.269 -2.235 -2.639) 3.684 4.320 ( -0.173 2.948 3.291) 4.422 4.397 ( -0.517 2.608 -3.197) 4.158 4.480 ( 0.707 1.040 1.310) 1.816 4.502 ( -0.200 -0.191 -0.544) 0.611 5.783 ( -1.002 -0.274 0.383) 1.107 5.791 ( 0.991 -2.349 -0.244) 2.562 5.849 ( -0.049 -1.900 0.709) 2.029 5.869 ( 0.055 -3.928 -0.890) 4.028 6.752 ( 0.658 -0.396 0.958) 1.228 6.777 ( -0.981 0.560 -1.154) 1.615 6.919 ( 1.709 0.879 0.656) 2.031 6.931 ( -1.331 1.816 -0.443) 2.294 7.324 ( -4.203 0.897 0.244) 4.305 7.326 ( 4.201 0.353 0.086) 4.217 7.407 ( 0.278 0.880 0.319) 0.976 7.422 ( -0.306 -0.405 -0.830) 0.973 7.880 ( -0.797 -1.817 1.341) 2.394 7.905 ( 0.262 0.390 1.543) 1.613 7.916 ( -0.116 -1.401 -0.695) 1.568 7.959 ( 0.576 1.294 -2.022) 2.468 8.210 ( 0.111 -0.817 1.905) 2.076 8.256 ( 0.326 -0.772 -1.957) 2.129 8.414 ( -0.916 -0.238 0.273) 0.985 8.426 ( 0.219 -0.626 -0.668) 0.942 8.582 ( 0.639 -0.563 0.475) 0.976 8.592 ( 0.197 -0.329 -0.084) 0.393 8.653 ( -0.771 -1.570 0.556) 1.835 8.668 ( 0.244 -1.743 -0.683) 1.888 9.260 ( 0.287 1.514 0.572) 1.644 9.268 ( -0.468 2.470 -0.064) 2.515 9.472 ( -1.269 0.286 1.030) 1.660 9.511 ( 2.413 0.681 -2.315) 3.412 9.627 ( -2.731 1.883 0.774) 3.406 9.645 ( 2.751 1.959 -0.662) 3.441 9.768 ( -2.067 2.889 3.574) 5.039 9.845 ( 1.076 1.509 -2.993) 3.520 10.424 ( -0.742 -1.058 1.709) 2.142 10.467 ( 0.930 -1.011 -1.928) 2.368 10.633 ( -0.859 -1.810 1.654) 2.598 10.668 ( 0.675 -2.619 -1.290) 2.997 ======================= Grid point 115 (49/70) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -4.339 -1.479 3.230) 5.608 0.563 ( -0.801 -2.417 5.878) 6.406 0.682 ( -0.899 -0.081 -3.906) 4.009 0.708 ( -0.088 -1.373 -2.164) 2.565 0.734 ( -2.170 3.759 -0.184) 4.345 0.792 ( 4.808 0.846 7.167) 8.672 0.865 ( 0.981 2.686 2.562) 3.839 0.915 ( -0.802 1.675 -3.098) 3.611 0.976 ( -3.437 2.941 0.138) 4.526 0.991 ( -0.845 4.265 0.380) 4.364 1.092 ( 0.522 0.573 -3.512) 3.596 1.107 ( 2.453 -1.109 -2.299) 3.540 1.182 ( -0.839 2.892 -0.502) 3.053 1.196 ( -0.602 0.984 -1.312) 1.747 1.211 ( 3.682 3.228 1.477) 5.114 1.263 ( 3.106 2.015 -1.533) 4.008 1.386 ( 0.506 1.371 2.778) 3.139 1.408 ( -1.897 1.159 -1.815) 2.870 1.526 ( -2.901 1.250 0.119) 3.161 1.602 ( -0.363 2.726 0.176) 2.755 1.741 ( 1.267 1.719 -0.827) 2.290 1.765 ( 8.636 2.816 0.576) 9.102 1.815 ( -3.719 5.005 2.675) 6.785 1.878 ( 2.191 0.552 2.457) 3.337 2.000 ( -7.218 1.733 -3.063) 8.030 2.023 ( 2.317 -1.558 -0.976) 2.957 2.053 ( -0.368 -0.830 -0.685) 1.137 2.110 ( -2.523 -3.081 1.951) 4.434 2.168 ( 3.959 -5.686 -0.588) 6.953 2.214 ( 7.263 1.413 -0.836) 7.446 2.432 ( -2.345 2.129 -0.815) 3.271 2.457 ( -1.601 1.369 1.225) 2.437 2.494 ( 0.100 0.599 0.788) 0.995 2.539 ( -0.417 2.269 -2.395) 3.326 2.691 ( 0.231 5.547 0.590) 5.584 2.703 ( -0.526 1.648 -0.203) 1.742 2.844 ( -2.171 0.423 3.556) 4.188 3.001 ( 6.407 2.660 -5.103) 8.612 3.152 ( -3.333 2.244 3.499) 5.328 3.253 ( 2.149 4.291 -2.092) 5.235 3.527 ( -2.278 1.744 4.132) 5.030 3.641 ( 1.857 1.903 -3.697) 4.554 3.799 ( -2.170 0.131 3.494) 4.115 3.887 ( 0.278 -1.202 -4.459) 4.626 4.235 ( -2.184 6.487 3.464) 7.671 4.315 ( 1.234 5.271 -2.616) 6.013 4.454 ( 0.090 3.201 1.342) 3.472 4.473 ( -0.187 2.594 -0.860) 2.739 5.804 ( -1.249 -2.846 1.080) 3.290 5.837 ( -0.199 -2.705 -1.773) 3.240 5.920 ( -0.440 -5.323 1.686) 5.601 5.959 ( 1.250 -5.352 -1.127) 5.610 6.719 ( -5.174 -1.636 -0.068) 5.427 6.835 ( 6.711 -0.929 0.197) 6.778 6.874 ( -3.318 0.704 -0.027) 3.392 6.943 ( 3.402 0.449 -0.134) 3.435 7.273 ( -2.940 0.733 0.425) 3.060 7.339 ( -2.252 2.038 -0.758) 3.130 7.365 ( 1.820 0.859 0.845) 2.183 7.454 ( 4.447 0.566 -0.802) 4.554 7.884 ( -1.228 0.325 1.660) 2.091 7.921 ( -0.721 -0.823 0.096) 1.098 7.942 ( 0.929 -0.291 -0.800) 1.260 7.950 ( 0.419 -1.703 -0.737) 1.902 8.244 ( 0.086 -2.181 1.869) 2.874 8.274 ( 0.100 -1.513 -1.546) 2.165 8.403 ( -1.436 0.241 0.164) 1.465 8.419 ( -0.560 0.695 -0.635) 1.095 8.587 ( -1.565 -0.730 -0.308) 1.754 8.619 ( 1.707 -1.044 -0.191) 2.010 8.678 ( -1.599 -2.295 0.411) 2.827 8.700 ( 0.315 -1.716 0.015) 1.744 9.231 ( 1.023 1.686 0.231) 1.985 9.254 ( 2.966 0.917 0.235) 3.113 9.449 ( -1.589 0.877 0.366) 1.852 9.515 ( 3.090 1.017 -2.173) 3.912 9.557 ( -2.767 2.742 0.186) 3.900 9.623 ( 2.989 3.295 -0.425) 4.469 9.721 ( -2.035 1.847 4.726) 5.467 9.813 ( 0.488 1.673 -3.572) 3.975 10.446 ( -0.599 -1.412 1.639) 2.245 10.481 ( 0.408 -0.535 -1.495) 1.639 10.656 ( -1.419 -1.148 1.917) 2.647 10.702 ( -0.069 -1.476 -1.794) 2.324 ======================= Grid point 120 (50/70) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 3.805 -0.000 -3.656) 5.277 0.695 ( 2.491 -0.000 1.649) 2.987 0.702 ( 1.418 -0.000 2.244) 2.655 0.727 ( 1.506 -0.000 1.119) 1.876 0.823 ( 1.372 -0.000 3.803) 4.043 0.859 ( 7.037 -0.000 -0.711) 7.073 0.935 ( 2.341 -0.000 1.064) 2.571 1.026 ( 2.819 -0.000 0.006) 2.819 1.038 ( 0.019 -0.000 -3.272) 3.272 1.089 ( 2.378 -0.000 6.834) 7.236 1.136 ( 3.168 -0.000 -2.799) 4.227 1.146 ( 2.842 -0.000 -2.580) 3.838 1.155 ( -3.026 0.000 1.531) 3.392 1.187 ( -1.119 0.000 -4.900) 5.026 1.259 ( -1.177 0.000 1.896) 2.232 1.312 ( 3.196 -0.000 -0.089) 3.197 1.393 ( 2.523 -0.000 -1.492) 2.931 1.468 ( 2.807 -0.000 1.564) 3.214 1.545 ( -6.459 0.000 3.051) 7.144 1.550 ( 2.112 -0.000 -3.354) 3.963 1.651 ( 0.523 -0.000 3.706) 3.743 1.751 ( 0.262 -0.000 -2.577) 2.590 1.795 ( 0.094 -0.000 -0.966) 0.970 1.815 ( 1.673 -0.000 -2.744) 3.214 1.917 ( -5.135 0.000 0.089) 5.136 1.948 ( -4.942 0.000 -0.333) 4.953 2.041 ( 1.124 -0.000 1.457) 1.840 2.204 ( 7.774 -0.000 6.112) 9.889 2.261 ( -0.316 0.000 0.133) 0.343 2.338 ( 1.607 -0.000 -1.014) 1.900 2.358 ( 1.044 -0.000 -2.547) 2.753 2.434 ( 2.298 -0.000 -1.620) 2.812 2.495 ( 3.800 -0.000 0.394) 3.820 2.535 ( 0.593 -0.000 0.850) 1.036 2.650 ( -0.634 0.000 -1.480) 1.610 2.692 ( 4.848 -0.000 -1.876) 5.198 2.770 ( -2.052 0.000 2.480) 3.219 2.939 ( -4.618 0.000 1.155) 4.760 3.071 ( 5.912 -0.000 -4.023) 7.151 3.071 ( 2.061 -0.000 2.079) 2.927 3.465 ( -0.035 0.000 3.379) 3.379 3.603 ( 3.609 -0.000 -6.822) 7.718 3.722 ( -3.947 0.000 0.962) 4.063 3.863 ( -1.177 0.000 -5.597) 5.720 4.006 ( 1.071 -0.000 10.664) 10.717 4.174 ( -4.285 0.000 3.376) 5.456 4.248 ( 4.957 -0.000 -2.819) 5.702 4.327 ( 0.303 -0.000 -2.950) 2.966 5.934 ( 1.934 -0.000 0.420) 1.979 5.963 ( 1.497 -0.000 -0.407) 1.551 6.146 ( 1.211 -0.000 0.473) 1.300 6.208 ( 1.605 -0.000 -0.562) 1.701 6.752 ( -0.514 0.000 -0.137) 0.532 6.891 ( 1.604 -0.000 2.145) 2.678 6.913 ( -0.261 0.000 -3.014) 3.025 6.992 ( 0.519 -0.000 1.103) 1.219 7.282 ( 2.598 -0.000 -0.145) 2.602 7.299 ( -0.324 0.000 0.346) 0.474 7.383 ( 0.854 -0.000 -0.682) 1.093 7.393 ( -2.608 0.000 0.615) 2.680 7.821 ( -1.652 0.000 1.453) 2.200 7.865 ( -0.114 0.000 -2.422) 2.424 7.949 ( -0.932 0.000 0.317) 0.985 7.956 ( -1.834 0.000 0.905) 2.045 8.316 ( 0.982 -0.000 2.310) 2.510 8.323 ( -0.613 0.000 -2.433) 2.509 8.356 ( 0.264 -0.000 -3.144) 3.155 8.398 ( 0.834 -0.000 2.486) 2.622 8.604 ( 0.663 -0.000 0.712) 0.973 8.680 ( 0.206 -0.000 -0.987) 1.008 8.706 ( -1.170 0.000 -0.139) 1.178 8.726 ( -0.772 0.000 0.404) 0.872 9.288 ( -0.042 0.000 -0.044) 0.061 9.292 ( -1.605 0.000 -0.344) 1.641 9.382 ( -2.484 0.000 2.104) 3.255 9.392 ( 0.823 -0.000 -1.220) 1.471 9.522 ( 2.167 -0.000 -1.219) 2.486 9.570 ( 0.510 -0.000 1.323) 1.418 9.857 ( 7.770 -0.000 -3.958) 8.720 10.005 ( 2.177 -0.000 4.541) 5.035 10.423 ( -0.979 0.000 -1.741) 1.998 10.426 ( -4.103 0.000 2.633) 4.875 10.540 ( -2.376 0.000 1.001) 2.578 10.608 ( -1.992 0.000 -2.093) 2.890 ======================= Grid point 121 (51/70) ======================= q-point: ( 0.44 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 2.122 3.184 -0.579) 3.870 0.676 ( -0.262 1.109 0.948) 1.482 0.733 ( 2.967 0.756 0.581) 3.117 0.788 ( -0.769 -3.493 1.384) 3.835 0.825 ( 2.997 3.511 1.725) 4.928 0.907 ( 0.640 2.970 -0.289) 3.052 0.953 ( 4.239 -1.894 0.835) 4.718 0.975 ( 2.677 2.445 -0.585) 3.672 1.035 ( 2.504 3.678 -4.228) 6.138 1.061 ( 0.374 3.233 0.532) 3.298 1.095 ( -1.271 0.761 3.048) 3.389 1.140 ( -2.665 0.633 -2.569) 3.755 1.210 ( 1.029 -3.231 -0.733) 3.469 1.221 ( -0.447 -1.994 -0.089) 2.046 1.323 ( 3.879 -5.824 0.841) 7.048 1.353 ( 2.589 -0.149 0.906) 2.747 1.426 ( -1.094 2.463 0.840) 2.823 1.427 ( 1.489 -1.267 -0.441) 2.005 1.493 ( 1.766 2.039 0.894) 2.841 1.615 ( -0.930 -2.420 -0.626) 2.667 1.682 ( -1.703 -2.607 2.657) 4.093 1.722 ( -0.877 1.042 -1.848) 2.296 1.768 ( -2.050 0.999 -1.583) 2.776 1.818 ( -2.283 -2.304 -1.787) 3.703 1.900 ( -3.327 0.499 -0.427) 3.391 1.918 ( 0.723 -0.724 -0.690) 1.235 2.067 ( 0.673 -1.535 2.500) 3.010 2.206 ( -0.677 2.283 -0.331) 2.404 2.295 ( 0.934 4.176 -1.002) 4.395 2.312 ( 3.052 -1.764 6.107) 7.052 2.340 ( -2.488 3.982 -0.499) 4.722 2.448 ( 6.347 -0.389 -1.351) 6.501 2.541 ( -1.669 -3.158 -0.249) 3.581 2.596 ( -0.413 0.143 -0.982) 1.075 2.630 ( 7.137 -2.065 -2.448) 7.822 2.756 ( -2.396 -0.887 2.589) 3.638 2.794 ( 4.758 -3.284 -2.667) 6.367 2.907 ( -4.518 -0.993 1.398) 4.833 3.118 ( 0.420 -2.701 2.714) 3.852 3.142 ( 5.124 -3.244 -3.541) 7.023 3.486 ( 0.292 -0.772 2.826) 2.944 3.553 ( -0.228 3.886 -2.747) 4.765 3.741 ( -0.472 -3.057 -1.288) 3.351 3.844 ( -0.000 -1.152 -4.384) 4.533 4.088 ( 1.516 -3.666 8.588) 9.460 4.171 ( -3.859 -2.778 3.374) 5.831 4.303 ( 3.371 -2.504 -2.997) 5.159 4.331 ( -0.325 -1.608 -3.072) 3.483 5.927 ( 1.164 2.679 0.294) 2.936 5.941 ( 0.805 3.431 -0.281) 3.536 6.124 ( 0.510 3.815 0.834) 3.938 6.176 ( 0.909 4.550 -0.899) 4.726 6.739 ( 0.701 1.065 0.641) 1.427 6.887 ( -1.403 -0.076 -3.380) 3.660 6.929 ( 2.506 0.008 2.411) 3.477 7.012 ( 0.807 -1.020 0.445) 1.375 7.269 ( 0.507 1.261 -0.064) 1.360 7.323 ( 1.939 -0.744 -0.048) 2.077 7.387 ( -3.277 -1.741 0.608) 3.761 7.405 ( -0.602 -1.816 -0.390) 1.952 7.816 ( -1.500 -0.606 1.520) 2.220 7.859 ( 0.117 -0.363 -2.362) 2.392 7.941 ( -0.843 -0.204 0.711) 1.122 7.958 ( -1.333 -1.109 0.681) 1.863 8.292 ( -0.314 1.936 -0.981) 2.193 8.324 ( 1.109 1.046 -0.158) 1.532 8.348 ( 0.488 0.175 -1.413) 1.505 8.410 ( 0.137 0.044 1.292) 1.300 8.606 ( 1.304 0.989 0.980) 1.908 8.658 ( 0.022 2.278 -0.423) 2.317 8.677 ( -1.110 1.465 -0.191) 1.848 8.707 ( -1.099 1.304 -0.070) 1.707 9.283 ( -1.366 -1.008 0.279) 1.720 9.305 ( -0.407 -1.773 -0.817) 1.994 9.380 ( -0.151 -1.477 1.899) 2.411 9.443 ( 0.410 -3.878 -1.155) 4.067 9.542 ( 2.137 -0.523 -0.969) 2.404 9.584 ( -0.428 -0.955 0.862) 1.356 9.907 ( 6.639 0.993 -2.272) 7.087 10.015 ( 0.459 1.643 2.616) 3.123 10.396 ( -3.609 0.032 2.585) 4.439 10.410 ( -0.590 -0.170 -1.584) 1.699 10.530 ( -1.793 -0.485 1.074) 2.145 10.584 ( -1.236 0.087 -2.028) 2.376 ======================= Grid point 122 (52/70) ======================= q-point: ( 0.56 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.109 3.985 2.504) 4.707 0.652 ( -0.109 1.542 -1.868) 2.425 0.749 ( 2.334 1.193 2.327) 3.505 0.788 ( 0.427 0.693 2.491) 2.621 0.822 ( 1.100 0.712 -0.644) 1.460 0.867 ( 0.418 1.848 -1.370) 2.338 0.901 ( 0.588 5.259 -2.021) 5.665 0.955 ( -0.317 3.740 -2.191) 4.346 1.033 ( 1.067 -0.962 -0.746) 1.619 1.070 ( 1.723 -0.605 1.362) 2.279 1.086 ( -1.083 -0.379 0.330) 1.194 1.125 ( 0.837 -1.445 -0.381) 1.712 1.199 ( -1.793 0.744 0.465) 1.996 1.249 ( -1.099 1.264 -0.649) 1.796 1.351 ( 3.125 0.847 4.638) 5.657 1.448 ( 1.721 -2.085 -1.438) 3.062 1.458 ( 2.046 -1.521 0.321) 2.569 1.467 ( 1.723 -0.376 0.501) 1.834 1.487 ( 1.230 -3.290 -0.856) 3.615 1.587 ( -0.564 1.885 -2.169) 2.928 1.699 ( -5.154 -2.457 2.142) 6.098 1.730 ( -0.889 -0.349 0.529) 1.092 1.751 ( 1.617 -0.955 0.832) 2.054 1.847 ( -1.560 -3.775 -3.314) 5.260 1.870 ( 0.030 0.703 -0.548) 0.892 1.911 ( -2.460 -0.076 -2.241) 3.329 2.125 ( -0.011 -2.623 2.322) 3.503 2.186 ( -0.423 -0.250 2.298) 2.350 2.198 ( -0.670 6.150 0.983) 6.264 2.246 ( 1.044 3.884 -1.516) 4.298 2.381 ( 0.684 -1.697 4.743) 5.084 2.521 ( 2.154 -3.011 0.020) 3.703 2.553 ( 0.485 1.687 -3.067) 3.534 2.580 ( -1.249 -2.872 -3.101) 4.407 2.727 ( 4.831 0.006 -0.969) 4.928 2.761 ( -2.768 -1.454 2.297) 3.880 2.867 ( 3.349 -2.050 -2.161) 4.482 2.902 ( -3.112 -2.136 0.778) 3.854 3.179 ( -1.269 -3.235 3.420) 4.876 3.242 ( 3.566 -4.197 -3.321) 6.431 3.491 ( -1.907 0.943 0.528) 2.192 3.515 ( 0.215 -2.036 -0.583) 2.128 3.785 ( 0.437 -1.645 0.989) 1.968 3.856 ( 1.239 -0.261 -2.227) 2.562 4.197 ( 0.818 -3.827 4.175) 5.723 4.245 ( -1.537 -7.668 2.305) 8.153 4.347 ( 0.127 -2.256 -2.883) 3.663 4.373 ( 0.501 -3.513 -1.762) 3.962 5.866 ( 0.683 4.804 -0.235) 4.858 5.874 ( -0.009 4.104 0.176) 4.107 6.035 ( -0.220 6.318 1.055) 6.409 6.073 ( 0.150 6.853 -1.008) 6.928 6.742 ( 2.245 0.664 1.141) 2.605 6.857 ( -2.390 0.258 -3.215) 4.015 6.955 ( 2.533 0.661 2.347) 3.516 7.027 ( -0.645 -0.007 -0.155) 0.663 7.276 ( 3.051 -0.212 0.107) 3.060 7.352 ( 0.636 -0.910 -0.698) 1.312 7.380 ( -2.885 -0.887 0.847) 3.135 7.422 ( -2.000 -1.430 -0.216) 2.468 7.824 ( -0.934 -0.906 1.311) 1.847 7.861 ( 0.392 -0.326 -1.886) 1.954 7.948 ( -0.024 -0.486 0.879) 1.005 7.969 ( -0.971 -1.093 0.433) 1.525 8.251 ( 0.273 2.291 -0.068) 2.308 8.301 ( 0.045 1.339 -2.429) 2.774 8.354 ( 1.393 -0.040 0.738) 1.577 8.406 ( -0.917 0.200 0.173) 0.955 8.600 ( 1.147 1.916 1.280) 2.574 8.619 ( 0.240 1.037 0.047) 1.066 8.646 ( -0.569 1.047 -0.391) 1.254 8.664 ( -1.268 1.910 -0.351) 2.320 9.296 ( -1.015 -1.249 0.846) 1.818 9.331 ( -0.142 -1.474 -1.570) 2.158 9.425 ( 0.411 -2.000 2.552) 3.269 9.496 ( 0.847 -1.652 -2.172) 2.857 9.580 ( 1.939 -1.894 -0.557) 2.767 9.607 ( -1.570 -2.527 0.667) 3.049 9.925 ( 4.504 2.551 -0.381) 5.190 9.980 ( -0.690 2.628 0.626) 2.788 10.381 ( -2.478 -0.704 2.275) 3.437 10.410 ( 0.320 -0.661 -1.556) 1.721 10.532 ( -1.064 -1.044 1.070) 1.835 10.571 ( -0.580 -0.394 -1.606) 1.752 ======================= Grid point 123 (53/70) ======================= q-point: ( 0.67 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.088 3.529 4.875) 6.019 0.594 ( -0.891 3.467 -1.922) 4.063 0.742 ( 1.030 2.458 3.618) 4.494 0.781 ( -2.075 2.630 0.162) 3.354 0.809 ( -0.324 1.427 0.174) 1.474 0.835 ( 1.624 0.158 0.574) 1.730 0.870 ( -1.454 -0.344 -3.337) 3.657 0.883 ( 0.476 -0.033 -3.152) 3.188 1.030 ( -1.963 0.325 0.711) 2.112 1.057 ( 0.261 0.332 -1.476) 1.535 1.107 ( -0.309 1.130 1.282) 1.737 1.140 ( 1.460 0.549 -1.150) 1.938 1.205 ( -1.786 0.640 1.605) 2.485 1.208 ( 1.269 -1.062 1.124) 2.001 1.387 ( 1.445 0.339 2.073) 2.550 1.415 ( -0.401 3.720 0.562) 3.784 1.465 ( 4.088 0.560 -0.711) 4.187 1.497 ( -3.276 1.176 -0.834) 3.579 1.579 ( -0.502 -3.853 -2.338) 4.534 1.582 ( 0.463 -5.591 -2.047) 5.972 1.714 ( 1.117 0.268 1.643) 2.005 1.721 ( -1.687 -0.639 1.233) 2.185 1.788 ( -0.138 -0.678 3.371) 3.442 1.848 ( -1.399 0.926 -1.474) 2.234 1.889 ( 0.098 -1.629 -1.661) 2.329 1.896 ( 1.532 -1.443 -2.314) 3.128 2.078 ( 0.717 5.339 2.039) 5.760 2.110 ( -0.174 4.925 -0.502) 4.954 2.247 ( -0.851 -5.543 1.782) 5.884 2.273 ( 1.850 -4.448 0.129) 4.819 2.419 ( -1.173 -1.497 3.561) 4.037 2.526 ( 1.542 0.600 -4.814) 5.091 2.572 ( -1.143 -1.375 0.268) 1.808 2.609 ( -0.070 -0.731 -2.125) 2.248 2.713 ( -4.189 2.923 1.708) 5.386 2.732 ( 3.587 2.201 -0.130) 4.211 2.914 ( -3.401 -2.207 0.775) 4.128 2.951 ( 4.664 -3.270 -2.527) 6.232 3.224 ( -1.964 -1.713 4.393) 5.108 3.311 ( 0.894 -2.293 -3.030) 3.904 3.492 ( -1.377 -1.804 2.672) 3.506 3.568 ( 1.393 -3.906 -3.619) 5.504 3.809 ( -0.146 -0.501 2.277) 2.336 3.854 ( 0.544 0.735 -1.356) 1.636 4.281 ( -1.242 -4.291 3.411) 5.621 4.359 ( 0.406 -4.272 -2.785) 5.116 4.404 ( 1.048 -4.607 0.555) 4.758 4.427 ( -0.579 -3.229 -0.880) 3.396 5.793 ( -0.459 3.262 0.701) 3.368 5.813 ( 0.546 2.468 -0.957) 2.703 5.923 ( -0.294 6.031 1.280) 6.172 5.951 ( 0.207 6.223 -1.031) 6.311 6.758 ( 0.523 0.377 1.870) 1.978 6.813 ( -1.036 0.941 -2.934) 3.250 6.967 ( 1.494 1.374 2.058) 2.890 7.000 ( -0.931 1.495 -0.909) 1.982 7.319 ( 0.640 -0.540 0.618) 1.040 7.336 ( -0.923 -0.323 -0.842) 1.290 7.402 ( 1.011 -0.726 0.679) 1.418 7.415 ( -0.777 -0.356 -0.450) 0.966 7.836 ( -0.483 -0.797 1.104) 1.445 7.867 ( 0.538 -0.650 -1.400) 1.635 7.949 ( -0.415 0.770 1.692) 1.905 7.981 ( 0.206 -0.585 -0.878) 1.075 8.221 ( 0.216 1.490 1.179) 1.912 8.269 ( -0.073 1.062 -2.724) 2.924 8.380 ( 1.359 -0.960 0.711) 1.810 8.394 ( -1.354 -0.363 -0.387) 1.455 8.586 ( 0.159 0.442 1.703) 1.767 8.614 ( -1.028 1.616 -0.316) 1.941 8.625 ( 0.790 -0.238 -0.292) 0.875 8.631 ( 0.098 0.452 -0.561) 0.727 9.303 ( -0.286 0.314 1.242) 1.313 9.335 ( 0.439 0.534 -1.440) 1.597 9.459 ( -1.621 -1.136 2.161) 2.931 9.514 ( 2.028 -0.450 -2.577) 3.310 9.628 ( -1.335 -1.828 0.503) 2.319 9.638 ( 0.787 -2.020 -0.209) 2.178 9.891 ( -0.783 3.825 1.649) 4.239 9.928 ( 0.952 2.783 -1.386) 3.251 10.387 ( -1.521 -1.060 1.892) 2.649 10.428 ( 1.278 -1.084 -1.523) 2.264 10.560 ( 0.136 -2.249 0.631) 2.340 10.578 ( -0.096 -1.367 -0.833) 1.604 ======================= Grid point 125 (54/70) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -0.140 0.618 6.262) 6.294 0.527 ( -1.559 1.637 -0.434) 2.302 0.691 ( -4.348 2.611 -0.054) 5.072 0.728 ( 1.474 2.356 0.726) 2.872 0.761 ( -4.168 0.619 -0.720) 4.275 0.827 ( 0.730 0.722 1.461) 1.786 0.876 ( -0.421 -1.788 0.633) 1.943 0.928 ( 1.311 -1.528 -2.783) 3.435 0.998 ( -3.316 -0.426 0.588) 3.395 1.061 ( -1.142 1.474 -0.262) 1.883 1.086 ( 3.638 -0.491 0.404) 3.694 1.129 ( 1.853 1.929 -1.536) 3.084 1.196 ( -2.916 -0.760 0.358) 3.035 1.239 ( 0.652 -0.143 0.731) 0.990 1.346 ( -0.895 3.768 0.565) 3.914 1.367 ( -0.496 2.822 -0.658) 2.940 1.407 ( -4.250 1.523 -1.110) 4.649 1.499 ( 4.348 1.334 -1.236) 4.713 1.610 ( -3.216 0.470 -0.459) 3.282 1.651 ( -0.543 -2.714 0.242) 2.779 1.737 ( -0.328 -3.074 2.511) 3.982 1.766 ( 1.820 -4.248 -2.642) 5.323 1.785 ( -1.955 0.316 0.918) 2.183 1.816 ( 2.393 1.036 0.975) 2.784 1.925 ( 2.480 -1.239 -0.318) 2.790 1.960 ( 3.534 -2.482 0.359) 4.333 2.015 ( 2.244 2.894 0.498) 3.696 2.040 ( 1.848 3.522 -1.275) 4.177 2.322 ( -2.087 -2.801 2.256) 4.158 2.367 ( 0.361 -0.630 0.668) 0.987 2.439 ( -2.076 -1.436 -1.047) 2.733 2.496 ( -0.182 2.586 -0.805) 2.715 2.525 ( -1.714 2.008 -0.977) 2.816 2.578 ( 4.695 3.849 -1.776) 6.326 2.656 ( -5.186 -1.387 2.354) 5.861 2.771 ( 3.066 -1.847 -0.160) 3.583 2.898 ( -3.299 1.174 0.220) 3.508 3.033 ( 5.182 -1.730 -3.342) 6.404 3.225 ( -2.650 0.937 4.939) 5.683 3.327 ( 0.155 -0.530 -3.076) 3.125 3.528 ( -0.852 -1.690 4.039) 4.460 3.635 ( 1.562 -2.924 -3.674) 4.948 3.813 ( -1.470 0.420 0.403) 1.581 3.844 ( 0.498 -0.266 -0.356) 0.668 4.331 ( -2.494 -1.743 2.638) 4.027 4.400 ( 0.747 -0.853 -2.111) 2.396 4.462 ( -0.815 -2.530 -0.204) 2.666 4.492 ( 1.570 -2.215 0.079) 2.717 5.753 ( -2.007 0.371 0.538) 2.110 5.798 ( 1.080 -0.360 -0.944) 1.479 5.843 ( -0.233 3.089 0.917) 3.231 5.869 ( 1.091 2.649 -0.520) 2.911 6.716 ( -5.360 1.004 0.224) 5.458 6.823 ( 4.393 0.100 -0.303) 4.405 6.931 ( -1.685 2.029 -0.098) 2.640 6.982 ( 2.638 1.609 0.168) 3.094 7.283 ( -4.437 0.003 0.091) 4.438 7.364 ( -2.712 -0.405 -0.047) 2.742 7.393 ( 3.808 0.690 -0.085) 3.871 7.454 ( 3.951 -0.451 0.030) 3.977 7.853 ( -0.360 -1.126 1.139) 1.642 7.886 ( 0.673 -1.394 -1.304) 2.024 7.930 ( -0.710 1.323 2.217) 2.678 7.977 ( 0.456 0.816 -1.838) 2.062 8.211 ( -0.087 0.312 1.598) 1.630 8.249 ( 0.514 0.258 -2.325) 2.396 8.391 ( -1.475 -0.947 0.021) 1.753 8.413 ( 0.617 -1.035 0.303) 1.242 8.579 ( -1.022 0.777 -0.339) 1.328 8.599 ( 0.638 -0.563 1.484) 1.710 8.617 ( -1.164 -0.339 -0.780) 1.441 8.652 ( 1.271 -0.933 -0.225) 1.592 9.292 ( 0.571 1.396 0.935) 1.774 9.316 ( 1.781 1.967 -0.703) 2.745 9.457 ( -2.299 -0.504 1.122) 2.607 9.534 ( 2.633 -0.026 -2.327) 3.514 9.617 ( -3.398 0.158 0.385) 3.423 9.682 ( 2.235 -0.657 0.059) 2.330 9.806 ( -3.624 3.577 1.766) 5.390 9.886 ( 0.880 2.583 -1.260) 3.006 10.401 ( -0.830 -1.090 1.408) 1.965 10.457 ( 1.694 -0.990 -1.495) 2.467 10.597 ( -0.358 -1.783 0.728) 1.958 10.620 ( 0.671 -2.863 -0.542) 2.990 ======================= Grid point 126 (55/70) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -2.956 0.400 2.663) 3.998 0.523 ( -1.636 -2.269 3.736) 4.667 0.643 ( -1.762 -1.753 0.073) 2.487 0.685 ( -3.296 0.814 -3.057) 4.568 0.726 ( -1.381 0.551 -0.073) 1.489 0.849 ( 0.938 -0.268 6.032) 6.110 0.895 ( 0.737 1.063 -0.952) 1.606 0.939 ( 0.821 -1.660 2.449) 3.070 0.994 ( -1.106 0.659 -1.197) 1.758 1.033 ( -0.827 1.024 -0.813) 1.547 1.101 ( 0.862 1.887 -1.692) 2.677 1.116 ( 2.084 0.908 -0.701) 2.379 1.171 ( -2.914 -1.105 -2.077) 3.745 1.200 ( -2.427 3.253 -0.192) 4.063 1.288 ( 2.017 1.731 -1.758) 3.187 1.323 ( 0.640 1.437 0.576) 1.675 1.384 ( -2.422 -1.172 1.306) 2.991 1.469 ( 2.754 5.717 -0.217) 6.350 1.536 ( -1.389 2.362 -1.074) 2.943 1.671 ( -0.176 2.334 0.979) 2.537 1.753 ( -1.281 -0.858 -0.263) 1.564 1.795 ( -1.675 -2.606 0.596) 3.155 1.842 ( 2.546 -1.325 -0.780) 2.974 1.891 ( 3.744 -4.147 -0.161) 5.589 1.947 ( -0.578 1.122 0.145) 1.271 1.988 ( 3.924 0.705 0.072) 3.988 2.040 ( 1.190 -2.453 0.705) 2.816 2.077 ( 3.826 -2.963 -0.903) 4.923 2.222 ( -1.068 8.229 0.841) 8.341 2.335 ( 1.265 1.960 1.188) 2.617 2.438 ( -1.469 1.212 -1.283) 2.296 2.458 ( -2.304 1.624 -0.681) 2.900 2.514 ( 2.242 -0.177 1.267) 2.581 2.569 ( 2.067 2.047 -2.316) 3.719 2.660 ( -3.189 -2.804 2.559) 4.958 2.801 ( 1.434 5.240 -3.618) 6.527 2.831 ( -2.413 -1.268 3.496) 4.433 3.080 ( 5.086 0.473 -4.093) 6.546 3.183 ( -2.024 2.885 4.128) 5.428 3.313 ( 0.503 1.369 -2.631) 3.008 3.550 ( -0.112 0.675 3.747) 3.809 3.657 ( -0.164 0.061 -1.842) 1.850 3.790 ( -1.632 -0.019 0.700) 1.776 3.855 ( -0.255 -0.744 -1.775) 1.942 4.304 ( -2.902 2.749 1.625) 4.315 4.391 ( 1.130 2.193 -0.386) 2.497 4.478 ( -0.549 0.479 -0.885) 1.147 4.513 ( 0.780 0.860 0.313) 1.203 5.745 ( -2.056 -1.739 0.268) 2.706 5.809 ( -0.409 0.411 -0.407) 0.709 5.841 ( 0.554 -3.718 0.466) 3.788 5.888 ( 1.162 -3.016 -0.334) 3.249 6.659 ( -4.177 -0.129 0.015) 4.179 6.846 ( -1.538 -0.052 0.406) 1.592 6.908 ( 5.195 1.191 -0.529) 5.356 6.984 ( 2.348 0.893 0.018) 2.512 7.252 ( -2.416 -0.174 0.215) 2.432 7.316 ( -5.071 0.803 -0.164) 5.136 7.428 ( 5.111 1.066 -0.043) 5.221 7.495 ( 3.368 -0.164 -0.022) 3.372 7.873 ( -0.872 -0.934 1.265) 1.798 7.903 ( -1.030 -0.325 0.957) 1.443 7.927 ( 1.165 -1.065 -0.240) 1.596 7.955 ( 0.489 1.067 -1.765) 2.120 8.220 ( -0.250 -0.949 0.759) 1.241 8.252 ( 0.602 -0.627 -1.654) 1.868 8.391 ( -1.480 -0.345 0.998) 1.818 8.422 ( -0.513 0.231 0.168) 0.587 8.563 ( -0.986 -0.155 -0.596) 1.163 8.613 ( -0.176 -0.719 -1.417) 1.599 8.628 ( -0.594 -1.701 1.453) 2.315 8.679 ( 0.388 -1.158 0.127) 1.228 9.277 ( 1.880 1.657 -0.035) 2.506 9.309 ( 3.353 1.414 0.577) 3.684 9.446 ( -1.476 0.112 0.367) 1.525 9.545 ( 2.398 0.445 -2.682) 3.625 9.571 ( -2.792 1.550 0.592) 3.247 9.693 ( 1.985 1.914 -0.527) 2.807 9.731 ( -3.548 1.257 2.584) 4.566 9.847 ( 0.698 2.067 -0.855) 2.344 10.419 ( -0.618 -1.234 0.897) 1.646 10.477 ( 1.110 -0.278 -1.225) 1.677 10.624 ( -1.180 -1.524 1.338) 2.346 10.665 ( -0.079 -1.948 -1.011) 2.196 ======================= Grid point 131 (56/70) ======================= q-point: ( 0.44 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 3.063 -0.000 -1.457) 3.392 0.701 ( -2.239 0.000 1.883) 2.925 0.721 ( -0.803 0.000 3.386) 3.480 0.772 ( 2.681 -0.000 -1.449) 3.047 0.909 ( 3.643 -0.000 4.219) 5.574 0.947 ( 3.209 -0.000 -0.645) 3.273 0.950 ( -1.496 0.000 1.377) 2.033 1.043 ( -0.091 0.000 -0.988) 0.992 1.044 ( 1.686 -0.000 0.219) 1.701 1.085 ( -3.172 0.000 -0.056) 3.173 1.094 ( -4.072 0.000 -1.230) 4.254 1.145 ( -1.296 0.000 -2.323) 2.660 1.164 ( 1.167 -0.000 -2.054) 2.362 1.167 ( 0.827 -0.000 -0.798) 1.149 1.323 ( 4.960 -0.000 2.602) 5.601 1.374 ( 3.765 -0.000 -0.859) 3.861 1.435 ( 0.442 -0.000 0.005) 0.442 1.466 ( -2.979 0.000 0.332) 2.997 1.470 ( -1.074 0.000 4.204) 4.338 1.605 ( 4.986 -0.000 -2.892) 5.764 1.638 ( -3.304 0.000 1.959) 3.841 1.709 ( -1.746 0.000 -3.328) 3.758 1.756 ( -0.730 0.000 -2.446) 2.552 1.766 ( -4.589 0.000 -1.489) 4.824 1.905 ( 0.651 -0.000 2.626) 2.705 1.931 ( 2.887 -0.000 -1.476) 3.243 2.071 ( 0.743 -0.000 3.219) 3.304 2.188 ( -3.668 0.000 -1.797) 4.084 2.323 ( -2.948 0.000 2.731) 4.019 2.341 ( 1.771 -0.000 5.304) 5.592 2.392 ( 3.155 -0.000 -3.838) 4.969 2.476 ( 1.946 -0.000 -2.919) 3.508 2.555 ( -0.144 0.000 2.280) 2.284 2.558 ( 2.730 -0.000 -0.762) 2.834 2.670 ( 4.292 -0.000 -1.017) 4.411 2.725 ( -3.898 0.000 2.617) 4.695 2.800 ( 6.849 -0.000 -4.396) 8.138 2.847 ( -5.881 0.000 1.320) 6.027 3.107 ( -0.920 0.000 3.110) 3.244 3.144 ( 4.173 -0.000 -3.130) 5.216 3.496 ( -0.252 0.000 4.077) 4.085 3.625 ( 3.832 -0.000 -7.306) 8.250 3.674 ( -1.697 0.000 1.692) 2.397 3.785 ( -2.201 0.000 -5.198) 5.645 4.102 ( 0.713 -0.000 9.119) 9.146 4.141 ( -2.348 0.000 6.258) 6.684 4.295 ( 1.952 -0.000 -3.715) 4.196 4.301 ( 0.274 -0.000 -4.969) 4.977 5.964 ( 0.715 -0.000 0.492) 0.868 5.979 ( 0.614 -0.000 -0.505) 0.795 6.171 ( 0.677 -0.000 1.282) 1.450 6.222 ( 0.508 -0.000 -1.339) 1.432 6.756 ( 0.306 -0.000 1.599) 1.628 6.860 ( -1.324 0.000 -3.549) 3.788 6.962 ( 2.476 -0.000 1.851) 3.091 7.009 ( 0.282 -0.000 0.272) 0.392 7.288 ( -0.763 0.000 0.356) 0.842 7.304 ( -0.237 0.000 -1.008) 1.035 7.362 ( -0.648 0.000 1.499) 1.633 7.388 ( 0.400 -0.000 -0.819) 0.912 7.801 ( -1.451 0.000 1.771) 2.289 7.848 ( 0.369 -0.000 -2.506) 2.533 7.933 ( -1.116 0.000 1.122) 1.582 7.940 ( -0.187 0.000 0.117) 0.221 8.301 ( -0.494 0.000 -0.670) 0.833 8.338 ( 0.016 -0.000 -2.996) 2.996 8.356 ( 1.273 -0.000 2.186) 2.530 8.416 ( -0.033 0.000 0.138) 0.142 8.630 ( 1.059 -0.000 1.721) 2.021 8.683 ( 0.765 -0.000 -0.882) 1.167 8.688 ( -0.644 0.000 0.099) 0.652 8.706 ( -1.286 0.000 -0.513) 1.384 9.267 ( -0.906 0.000 0.578) 1.075 9.284 ( 0.083 -0.000 -0.848) 0.853 9.361 ( -1.555 0.000 2.341) 2.811 9.401 ( 1.196 -0.000 -1.881) 2.229 9.555 ( 1.825 -0.000 -0.660) 1.941 9.573 ( -0.970 0.000 0.534) 1.108 9.971 ( 6.189 -0.000 -1.698) 6.418 10.030 ( -1.853 0.000 1.546) 2.413 10.371 ( -3.575 0.000 3.183) 4.786 10.402 ( 0.334 -0.000 -1.534) 1.570 10.518 ( -0.801 0.000 1.088) 1.351 10.569 ( -0.432 0.000 -2.225) 2.267 ======================= Grid point 132 (57/70) ======================= q-point: ( 0.56 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -1.212 3.098 1.943) 3.853 0.684 ( 1.527 2.273 -1.418) 3.083 0.754 ( -3.237 -1.934 2.964) 4.796 0.797 ( 2.122 -0.100 -0.576) 2.201 0.882 ( 0.964 2.881 1.798) 3.530 0.901 ( -0.010 3.426 -0.481) 3.459 0.975 ( -2.660 3.546 1.114) 4.571 1.013 ( -0.510 2.484 -1.341) 2.868 1.033 ( -0.077 0.267 -0.348) 0.445 1.056 ( -1.463 -0.645 -0.606) 1.710 1.084 ( 0.025 0.348 -0.077) 0.357 1.105 ( 0.937 -0.701 0.315) 1.212 1.191 ( 0.258 -2.003 -0.173) 2.027 1.224 ( 0.155 -2.651 -1.905) 3.268 1.365 ( -0.729 -1.158 2.258) 2.640 1.410 ( 1.125 -1.308 -1.888) 2.557 1.450 ( 3.908 -1.767 1.032) 4.411 1.462 ( -2.799 -1.661 -0.122) 3.257 1.491 ( 1.310 0.592 3.822) 4.084 1.612 ( -1.600 2.426 -4.199) 5.107 1.633 ( 0.442 -0.881 2.353) 2.551 1.691 ( 0.191 -1.695 -1.539) 2.297 1.747 ( -2.014 -2.305 -1.808) 3.555 1.762 ( 2.420 -1.507 -1.840) 3.393 1.898 ( -2.089 1.256 1.122) 2.683 1.926 ( 2.374 2.321 -1.208) 3.533 2.111 ( 2.095 -1.491 3.640) 4.457 2.160 ( -2.213 -0.581 -1.357) 2.660 2.277 ( -2.259 2.815 1.731) 4.003 2.341 ( 2.356 4.497 -2.557) 5.685 2.395 ( 0.335 -0.646 5.877) 5.922 2.495 ( -1.784 -0.411 -0.114) 1.834 2.534 ( 2.256 -0.493 -2.159) 3.161 2.571 ( -0.010 1.251 -2.744) 3.016 2.701 ( -4.480 -1.644 2.108) 5.217 2.737 ( 4.628 -2.298 -1.131) 5.289 2.818 ( -4.390 -2.272 1.774) 5.252 2.874 ( 3.991 -2.092 -3.194) 5.523 3.120 ( -3.031 -2.381 3.394) 5.135 3.192 ( 2.114 -2.909 -2.746) 4.525 3.489 ( -2.016 0.890 2.300) 3.186 3.550 ( 2.193 4.295 -2.079) 5.252 3.744 ( 0.873 -3.669 -0.015) 3.771 3.807 ( -0.486 -4.535 -4.779) 6.606 4.143 ( -2.291 -1.757 6.731) 7.324 4.174 ( 1.250 -2.776 6.179) 6.888 4.296 ( -0.464 -1.803 -4.118) 4.520 4.319 ( 0.937 -2.243 -4.062) 4.733 5.940 ( -0.119 3.075 0.296) 3.092 5.948 ( 0.119 3.537 -0.328) 3.554 6.139 ( 0.138 4.426 1.480) 4.669 6.175 ( -0.118 4.674 -1.486) 4.906 6.766 ( 0.757 0.121 2.237) 2.365 6.832 ( -1.289 0.250 -3.536) 3.771 6.989 ( 1.525 -0.061 1.887) 2.427 7.013 ( -1.006 -0.536 -0.441) 1.222 7.291 ( 0.421 -0.675 0.514) 0.947 7.307 ( -0.538 -0.886 -0.985) 1.430 7.371 ( 0.027 -0.795 1.251) 1.483 7.394 ( 0.107 -0.566 -0.782) 0.971 7.805 ( -0.755 -0.820 1.677) 2.014 7.851 ( 0.901 -0.505 -2.347) 2.564 7.938 ( -0.201 -0.870 1.057) 1.384 7.947 ( 0.083 -0.638 0.157) 0.662 8.283 ( -0.360 1.298 0.154) 1.356 8.314 ( -0.349 1.203 -2.450) 2.752 8.374 ( 1.271 0.107 1.660) 2.094 8.406 ( -0.711 0.631 -0.652) 1.153 8.637 ( -0.091 0.863 1.553) 1.778 8.657 ( 0.679 2.563 0.580) 2.714 8.672 ( 0.706 1.606 -0.768) 1.915 8.680 ( -1.145 1.256 -0.919) 1.932 9.272 ( -0.032 -1.025 0.738) 1.263 9.295 ( 0.304 -1.431 -1.360) 1.997 9.386 ( -1.154 -2.807 2.804) 4.132 9.447 ( 1.309 -3.722 -2.491) 4.666 9.563 ( -1.641 -0.394 0.611) 1.795 9.574 ( 1.008 -0.761 -0.321) 1.303 9.994 ( -2.393 1.437 0.262) 2.803 10.005 ( 3.296 1.416 -0.703) 3.655 10.357 ( -2.270 -0.422 2.910) 3.715 10.406 ( 1.305 -0.150 -1.303) 1.850 10.519 ( -0.221 -0.221 1.284) 1.321 10.561 ( 0.441 -0.018 -2.160) 2.205 ======================= Grid point 134 (58/70) ======================= q-point: (-0.33 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -0.851 2.718 2.437) 3.748 0.646 ( 1.042 3.031 -1.927) 3.739 0.751 ( -3.947 -1.133 1.956) 4.548 0.782 ( -1.647 2.264 2.368) 3.667 0.831 ( -3.286 1.912 -1.256) 4.004 0.878 ( 1.955 1.963 -1.914) 3.367 0.890 ( -1.020 3.390 1.744) 3.947 0.918 ( 0.570 3.879 -2.062) 4.430 1.009 ( -3.328 0.936 1.244) 3.674 1.061 ( -0.201 -0.466 -0.967) 1.092 1.086 ( -2.656 -2.143 0.783) 3.501 1.144 ( 1.958 -1.234 -0.529) 2.374 1.217 ( 0.200 2.700 -0.211) 2.716 1.227 ( 1.186 -0.495 0.867) 1.550 1.400 ( -1.006 -1.982 2.661) 3.468 1.437 ( -1.730 0.039 -1.812) 2.505 1.467 ( -2.243 0.002 0.648) 2.334 1.485 ( -1.128 -4.240 -1.399) 4.605 1.510 ( 1.577 0.224 1.558) 2.229 1.539 ( 0.221 1.582 -3.569) 3.911 1.689 ( 0.516 -2.336 3.308) 4.082 1.708 ( -1.903 -0.840 1.131) 2.368 1.777 ( 2.444 -0.779 -0.090) 2.567 1.834 ( 2.045 -2.433 -2.737) 4.194 1.872 ( 1.623 -1.036 -0.916) 2.132 1.915 ( 3.558 0.705 -1.946) 4.116 2.139 ( -0.783 0.081 1.722) 1.893 2.174 ( 0.770 -2.168 1.710) 2.867 2.210 ( 0.010 5.094 -0.017) 5.094 2.271 ( 1.071 2.328 -2.205) 3.381 2.409 ( -2.203 0.544 6.838) 7.204 2.499 ( -1.886 -1.999 -1.359) 3.066 2.530 ( -0.347 -0.492 -3.556) 3.606 2.578 ( 1.816 -1.846 -2.048) 3.302 2.696 ( -5.399 -0.860 1.362) 5.635 2.790 ( 1.609 0.057 0.484) 1.681 2.843 ( -1.539 -3.008 -0.520) 3.419 2.929 ( 3.328 -2.262 -1.353) 4.245 3.158 ( -3.904 -3.962 3.653) 6.654 3.250 ( -0.409 -3.355 -2.653) 4.296 3.476 ( -0.227 -0.848 1.323) 1.588 3.531 ( 2.320 0.009 -1.633) 2.837 3.794 ( -0.985 -1.519 2.195) 2.845 3.850 ( 0.508 -1.737 -3.670) 4.092 4.185 ( -3.513 -3.971 5.098) 7.355 4.288 ( 2.940 -5.108 0.435) 5.910 4.332 ( -0.183 -4.083 -0.715) 4.149 4.358 ( -0.375 -3.191 -2.825) 4.279 5.861 ( -1.044 4.768 0.077) 4.882 5.878 ( 0.483 4.141 -0.134) 4.172 6.042 ( -0.269 6.588 1.155) 6.694 6.066 ( 0.233 6.586 -1.113) 6.683 6.757 ( -2.862 1.101 0.854) 3.183 6.823 ( 2.002 -0.227 -1.300) 2.397 6.984 ( -1.868 0.764 0.261) 2.035 7.018 ( 0.988 -0.088 0.244) 1.021 7.279 ( -3.127 -0.158 -0.055) 3.132 7.340 ( 0.136 -1.042 0.087) 1.055 7.391 ( 2.015 -0.741 0.115) 2.150 7.419 ( 2.176 -1.458 -0.099) 2.622 7.822 ( -0.206 -0.942 1.353) 1.661 7.859 ( 0.785 -0.325 -1.714) 1.913 7.958 ( 0.044 -0.419 0.249) 0.490 7.964 ( 0.753 -1.010 0.676) 1.430 8.255 ( -0.246 1.676 0.812) 1.879 8.278 ( -0.461 1.354 -2.139) 2.573 8.380 ( -1.317 0.614 -0.962) 1.743 8.391 ( 1.350 -0.043 1.203) 1.809 8.601 ( -1.331 1.559 1.257) 2.405 8.631 ( -0.741 1.933 -1.162) 2.374 8.649 ( 1.734 1.178 0.979) 2.314 8.653 ( 0.877 1.294 -0.752) 1.735 9.302 ( 0.731 -1.156 1.026) 1.710 9.324 ( 0.834 -1.654 -1.671) 2.494 9.424 ( -2.293 -1.583 2.429) 3.697 9.506 ( 2.006 -1.928 -2.870) 3.997 9.566 ( -2.850 -2.207 0.762) 3.684 9.609 ( 0.748 -2.289 0.328) 2.431 9.928 ( -3.946 2.323 -0.533) 4.610 9.987 ( 1.187 3.087 0.218) 3.314 10.365 ( -0.727 -0.953 2.086) 2.406 10.423 ( 1.857 -0.531 -1.130) 2.238 10.536 ( 0.598 -1.150 1.246) 1.798 10.565 ( 1.328 -0.357 -1.728) 2.209 ======================= Grid point 135 (59/70) ======================= q-point: (-0.22 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -1.574 2.630 1.359) 3.353 0.581 ( 0.678 4.352 0.946) 4.505 0.695 ( -6.385 2.853 2.277) 7.355 0.733 ( -3.259 0.685 -0.450) 3.360 0.788 ( -1.384 1.725 1.295) 2.563 0.825 ( -0.475 0.412 -0.495) 0.801 0.872 ( -0.065 -0.235 0.273) 0.366 0.892 ( 1.653 -0.215 -2.526) 3.026 0.976 ( -1.758 0.862 0.939) 2.172 1.075 ( -1.458 -1.460 0.794) 2.211 1.106 ( -1.004 -1.472 -0.378) 1.822 1.133 ( 0.847 2.895 1.035) 3.189 1.186 ( 0.221 0.251 -1.792) 1.823 1.245 ( 0.520 -0.290 1.686) 1.788 1.370 ( -2.702 2.114 0.809) 3.525 1.399 ( -4.101 3.016 -2.791) 5.805 1.416 ( -0.711 2.255 -0.719) 2.471 1.507 ( -2.726 -4.233 -0.183) 5.038 1.526 ( -0.181 -1.283 -0.730) 1.487 1.628 ( 3.587 -4.841 -0.194) 6.028 1.694 ( -1.172 -1.471 1.305) 2.289 1.714 ( -1.733 -0.641 1.573) 2.426 1.796 ( 0.578 2.202 -0.700) 2.381 1.845 ( 1.463 -0.009 0.944) 1.741 1.952 ( 5.339 -2.703 -1.107) 6.086 1.960 ( 5.770 -0.474 -0.983) 5.873 2.105 ( 1.338 5.436 -1.188) 5.723 2.147 ( 2.960 3.455 1.301) 4.732 2.230 ( -1.371 -4.927 0.115) 5.115 2.302 ( 1.290 -5.397 -1.660) 5.792 2.404 ( -3.332 -0.283 4.235) 5.396 2.486 ( -0.905 0.656 -4.163) 4.310 2.548 ( -2.937 -2.554 1.091) 4.042 2.599 ( -1.908 2.874 0.267) 3.460 2.644 ( -1.217 -1.227 0.478) 1.793 2.789 ( 0.369 1.319 1.572) 2.085 2.873 ( 0.478 -1.572 -2.629) 3.100 3.015 ( 3.009 -3.594 -0.633) 4.730 3.197 ( -3.663 -2.848 3.349) 5.723 3.280 ( -1.497 -2.286 -2.131) 3.465 3.515 ( 1.413 -1.578 1.994) 2.909 3.575 ( 1.327 -3.378 -2.033) 4.160 3.805 ( -1.484 -0.475 1.105) 1.910 3.851 ( 0.541 0.675 -1.783) 1.982 4.246 ( -3.595 -4.735 2.890) 6.610 4.376 ( 2.089 -2.770 -1.416) 3.747 4.392 ( -1.156 -3.639 -0.976) 3.941 4.441 ( 1.271 -5.175 0.372) 5.342 5.775 ( -1.250 3.519 0.367) 3.752 5.820 ( 0.381 2.626 -0.541) 2.708 5.930 ( -0.175 5.683 0.766) 5.737 5.956 ( 1.150 5.929 -0.595) 6.068 6.697 ( -3.875 1.772 0.033) 4.261 6.843 ( 0.436 -0.160 0.260) 0.533 6.958 ( 0.999 0.986 -0.657) 1.550 7.021 ( 0.513 0.687 0.313) 0.913 7.250 ( -2.471 0.214 -0.065) 2.481 7.324 ( -3.922 -0.001 0.117) 3.924 7.443 ( 4.993 -0.451 -0.064) 5.014 7.470 ( 2.607 -1.370 0.106) 2.946 7.840 ( 0.040 -0.693 1.055) 1.263 7.869 ( 0.718 -0.745 -1.173) 1.564 7.954 ( -0.261 1.092 1.401) 1.795 7.982 ( 0.477 -0.115 -0.851) 0.982 8.229 ( -0.115 1.250 0.734) 1.454 8.252 ( 0.041 0.499 -1.668) 1.741 8.362 ( -1.169 -0.512 -0.552) 1.391 8.410 ( 0.873 -0.377 0.973) 1.360 8.581 ( -1.492 -0.166 1.101) 1.862 8.590 ( -0.543 1.488 -1.086) 1.920 8.635 ( 1.141 1.350 -0.066) 1.769 8.657 ( 1.490 0.129 0.042) 1.496 9.319 ( 0.719 0.441 0.917) 1.246 9.352 ( 2.404 -0.213 -1.395) 2.788 9.421 ( -2.999 -0.862 1.458) 3.444 9.538 ( 1.486 -0.998 -1.675) 2.451 9.575 ( -2.956 -1.331 -0.053) 3.242 9.664 ( 0.319 -2.727 0.825) 2.867 9.837 ( -3.877 3.424 -0.599) 5.207 9.933 ( -0.971 2.929 0.435) 3.116 10.385 ( 0.070 -0.851 1.272) 1.532 10.450 ( 1.744 -0.963 -0.916) 2.193 10.576 ( 0.943 -1.533 0.671) 1.920 10.588 ( 1.820 -1.304 -0.852) 2.396 ======================= Grid point 136 (60/70) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -1.314 -0.167 0.378) 1.377 0.518 ( -2.022 3.478 2.807) 4.906 0.603 ( -5.351 1.037 3.907) 6.706 0.681 ( -0.460 2.130 -5.427) 5.848 0.748 ( -0.568 1.757 1.891) 2.643 0.847 ( -0.411 -1.721 3.291) 3.736 0.887 ( -0.154 -1.922 3.006) 3.571 0.933 ( 0.557 -1.028 -1.916) 2.244 0.958 ( -0.120 -1.604 -0.573) 1.708 1.039 ( -1.358 1.757 -0.785) 2.355 1.114 ( -2.806 -0.575 -1.244) 3.123 1.144 ( 1.225 1.773 -0.109) 2.158 1.160 ( 0.963 0.625 -0.031) 1.148 1.245 ( -0.532 2.018 2.092) 2.955 1.281 ( -2.699 0.861 -4.020) 4.918 1.351 ( -1.849 0.212 0.528) 1.935 1.356 ( -0.521 2.240 -0.235) 2.312 1.535 ( 0.640 -0.197 -0.033) 0.671 1.575 ( -1.574 -3.235 0.052) 3.598 1.662 ( 1.424 0.602 0.880) 1.779 1.703 ( -1.893 -0.133 -0.297) 1.921 1.759 ( -0.281 0.511 -0.546) 0.799 1.808 ( 2.790 -4.786 -1.853) 5.842 1.858 ( 0.785 -1.673 1.565) 2.422 1.998 ( 3.545 1.268 0.014) 3.765 2.045 ( 2.713 1.491 0.376) 3.118 2.056 ( 3.019 -2.135 -1.988) 4.198 2.103 ( 4.092 4.244 1.551) 6.096 2.303 ( -0.505 -3.913 0.962) 4.061 2.326 ( -4.843 4.768 -0.080) 6.797 2.398 ( -1.049 -1.912 -3.030) 3.733 2.465 ( 0.374 -0.839 -2.187) 2.372 2.539 ( -0.329 1.036 3.784) 3.937 2.565 ( -3.972 -2.416 2.069) 5.089 2.665 ( 4.115 1.697 -1.004) 4.563 2.783 ( -3.461 -1.625 3.181) 4.974 2.872 ( 2.671 2.103 -4.483) 5.626 3.084 ( 0.757 -1.888 0.312) 2.058 3.212 ( -0.804 -0.457 1.456) 1.725 3.292 ( -1.407 -1.462 -2.130) 2.942 3.565 ( 1.723 -1.402 2.509) 3.351 3.631 ( -0.420 -2.229 -0.655) 2.361 3.785 ( -0.741 1.142 -0.991) 1.684 3.846 ( 0.005 -0.053 -0.360) 0.364 4.288 ( -2.631 -2.000 1.351) 3.571 4.407 ( 0.282 -0.746 -0.005) 0.798 4.455 ( 0.498 -2.751 -0.825) 2.915 4.514 ( 0.655 -1.726 0.064) 1.847 5.723 ( -1.143 1.110 0.253) 1.613 5.796 ( -0.276 -0.077 -0.414) 0.504 5.856 ( 0.312 2.996 0.554) 3.062 5.889 ( 1.189 2.339 -0.395) 2.653 6.636 ( -2.883 1.186 0.033) 3.117 6.833 ( -1.717 0.198 0.222) 1.743 6.967 ( 3.169 0.666 -0.407) 3.264 7.015 ( 1.403 0.631 0.021) 1.539 7.230 ( -1.372 -0.084 0.023) 1.375 7.282 ( -3.940 0.381 -0.011) 3.959 7.486 ( 3.867 0.445 -0.024) 3.892 7.510 ( 1.697 -0.779 0.088) 1.869 7.857 ( -0.022 -0.794 1.129) 1.380 7.888 ( 0.170 -0.842 -0.549) 1.019 7.935 ( -0.129 0.839 1.267) 1.525 7.971 ( 0.207 0.971 -1.577) 1.863 8.216 ( -0.005 0.438 0.391) 0.587 8.246 ( 0.298 -0.132 -1.595) 1.628 8.371 ( -0.569 -1.107 0.907) 1.540 8.422 ( -0.071 0.017 0.540) 0.544 8.563 ( -0.099 0.846 -0.800) 1.168 8.578 ( -1.644 -0.823 -0.024) 1.839 8.630 ( 1.020 0.383 0.283) 1.126 8.670 ( 0.650 -0.308 0.071) 0.723 9.315 ( 0.911 0.885 0.654) 1.429 9.364 ( 3.160 1.222 -0.608) 3.443 9.422 ( -1.985 -1.335 0.556) 2.456 9.555 ( 0.419 0.081 -2.120) 2.162 9.561 ( -1.888 -0.482 0.825) 2.116 9.703 ( -0.663 -1.255 1.030) 1.753 9.745 ( -2.173 2.865 -0.691) 3.662 9.881 ( -0.874 1.846 0.391) 2.079 10.403 ( 0.207 -0.646 0.598) 0.905 10.476 ( 0.979 -0.662 -0.658) 1.353 10.603 ( 0.564 -0.685 0.301) 0.937 10.632 ( 0.769 -1.755 -0.248) 1.932 ======================= Grid point 144 (61/70) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -3.191 0.000 0.636) 3.254 0.706 ( -1.886 0.000 2.876) 3.440 0.732 ( 1.012 -0.000 0.349) 1.071 0.783 ( -0.308 0.000 -1.717) 1.744 0.902 ( -3.949 0.000 2.616) 4.737 0.952 ( -7.779 0.000 0.597) 7.802 0.980 ( -0.435 0.000 0.676) 0.804 0.999 ( -0.349 0.000 3.889) 3.905 1.045 ( -1.339 0.000 -2.570) 2.898 1.047 ( 1.596 -0.000 1.053) 1.912 1.100 ( 2.020 -0.000 1.354) 2.432 1.119 ( 2.617 -0.000 -3.484) 4.357 1.169 ( 1.223 -0.000 -1.800) 2.176 1.171 ( 0.366 -0.000 -1.225) 1.278 1.349 ( -2.391 0.000 1.318) 2.730 1.384 ( -4.212 0.000 -1.543) 4.486 1.435 ( 1.393 -0.000 -0.166) 1.403 1.457 ( 2.290 -0.000 0.845) 2.441 1.517 ( -1.227 0.000 4.179) 4.355 1.626 ( -0.563 0.000 -7.249) 7.271 1.640 ( 2.723 -0.000 2.124) 3.453 1.698 ( 5.889 -0.000 -1.959) 6.207 1.703 ( -1.139 0.000 0.343) 1.189 1.764 ( 2.243 -0.000 -1.037) 2.471 1.900 ( -1.976 0.000 1.629) 2.561 1.951 ( -0.549 0.000 -1.207) 1.326 2.127 ( -1.686 0.000 -2.165) 2.744 2.138 ( 3.179 -0.000 3.691) 4.871 2.291 ( -1.609 0.000 2.345) 2.844 2.376 ( -3.235 0.000 3.902) 5.068 2.419 ( 4.094 -0.000 -3.200) 5.196 2.462 ( -0.844 0.000 -3.637) 3.733 2.529 ( -3.268 0.000 1.839) 3.749 2.601 ( 2.013 -0.000 -1.062) 2.276 2.650 ( -5.386 0.000 0.450) 5.405 2.718 ( -3.137 0.000 2.135) 3.795 2.780 ( 2.118 -0.000 -1.778) 2.765 2.877 ( 3.470 -0.000 -1.611) 3.826 3.069 ( -4.980 0.000 3.095) 5.863 3.168 ( 0.008 -0.000 -2.115) 2.115 3.495 ( -2.584 0.000 4.170) 4.905 3.626 ( 1.277 -0.000 -7.733) 7.838 3.695 ( 1.987 -0.000 2.807) 3.439 3.732 ( 0.509 -0.000 -3.397) 3.435 4.149 ( -1.554 0.000 8.291) 8.435 4.177 ( 0.119 -0.000 6.642) 6.643 4.256 ( -0.575 0.000 -5.045) 5.078 4.286 ( 0.466 -0.000 -5.716) 5.735 5.966 ( -0.789 0.000 0.548) 0.961 5.977 ( -0.526 0.000 -0.555) 0.765 6.186 ( -0.302 0.000 1.693) 1.720 6.207 ( -0.864 0.000 -1.754) 1.955 6.786 ( 1.235 -0.000 2.813) 3.072 6.811 ( -1.182 0.000 -3.245) 3.454 6.989 ( -2.180 0.000 -0.674) 2.282 7.001 ( 0.335 -0.000 1.245) 1.289 7.288 ( 0.436 -0.000 0.415) 0.602 7.301 ( 0.823 -0.000 -0.919) 1.233 7.364 ( -0.366 0.000 1.372) 1.420 7.389 ( 0.447 -0.000 -0.882) 0.989 7.799 ( -0.087 0.000 1.750) 1.753 7.849 ( 1.568 -0.000 -2.412) 2.877 7.933 ( 0.347 -0.000 0.906) 0.970 7.945 ( 0.660 -0.000 0.041) 0.661 8.292 ( -0.521 0.000 0.826) 0.977 8.312 ( -0.852 0.000 -1.880) 2.064 8.392 ( 0.913 -0.000 1.891) 2.100 8.403 ( -0.611 0.000 -1.556) 1.672 8.652 ( -0.537 0.000 1.858) 1.935 8.674 ( -1.027 0.000 -1.713) 1.998 8.693 ( 0.686 -0.000 -0.453) 0.822 8.693 ( 1.223 -0.000 0.445) 1.302 9.269 ( 0.633 -0.000 0.532) 0.826 9.286 ( 0.914 -0.000 -1.152) 1.470 9.352 ( -1.059 0.000 2.332) 2.561 9.410 ( 1.297 -0.000 -1.858) 2.266 9.543 ( -2.314 0.000 0.185) 2.321 9.576 ( 0.467 -0.000 0.204) 0.509 9.963 ( -5.230 0.000 -0.784) 5.289 10.054 ( 2.974 -0.000 -0.326) 2.992 10.347 ( -1.139 0.000 3.113) 3.315 10.418 ( 2.047 -0.000 -0.900) 2.236 10.525 ( 0.564 -0.000 1.391) 1.501 10.561 ( 1.278 -0.000 -2.410) 2.728 ======================= Grid point 145 (62/70) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -2.966 1.571 0.265) 3.367 0.698 ( -3.775 -0.410 2.352) 4.466 0.702 ( 0.534 2.054 -0.883) 2.299 0.799 ( -2.586 0.086 1.336) 2.912 0.855 ( -5.668 4.042 3.201) 7.662 0.872 ( -2.464 -1.238 -1.121) 2.976 0.930 ( -2.908 2.660 2.494) 4.664 0.983 ( -3.526 0.563 -0.980) 3.703 0.994 ( -0.046 2.538 -0.965) 2.716 1.057 ( 0.726 2.208 0.767) 2.448 1.078 ( 0.523 2.277 -0.151) 2.341 1.136 ( 1.076 -0.735 -0.352) 1.350 1.201 ( 0.264 -2.489 -0.810) 2.630 1.239 ( 2.020 -2.879 -0.868) 3.622 1.351 ( -1.399 -2.477 0.618) 2.911 1.369 ( -4.947 -2.931 -1.004) 5.838 1.423 ( -0.774 0.069 0.133) 0.788 1.461 ( -1.303 1.572 -0.740) 2.172 1.510 ( -1.685 0.401 0.404) 1.779 1.607 ( 3.222 2.189 -1.532) 4.185 1.665 ( 0.194 -1.048 2.259) 2.497 1.706 ( -0.287 -0.209 1.522) 1.563 1.769 ( 5.585 -2.578 -2.940) 6.817 1.818 ( 3.969 -2.957 -1.135) 5.078 1.887 ( 3.457 0.708 0.322) 3.543 1.933 ( -1.154 0.552 -1.263) 1.798 2.112 ( -2.472 -1.282 -1.249) 3.052 2.167 ( -1.075 0.464 3.928) 4.099 2.266 ( 1.218 1.666 0.111) 2.067 2.348 ( -1.237 5.280 0.353) 5.434 2.390 ( -1.836 -2.299 0.745) 3.036 2.476 ( -3.945 1.273 -2.612) 4.899 2.504 ( 1.176 -1.164 0.122) 1.659 2.574 ( -2.472 0.728 1.118) 2.809 2.618 ( -1.634 -1.472 -2.347) 3.217 2.741 ( -3.736 -3.846 2.152) 5.778 2.812 ( 3.432 -1.160 -2.299) 4.291 2.919 ( 1.220 -1.635 0.739) 2.170 3.059 ( -4.728 -3.067 2.659) 6.232 3.175 ( -1.841 -2.698 -2.043) 3.853 3.473 ( -1.289 0.669 2.782) 3.139 3.577 ( 1.843 2.243 -3.798) 4.780 3.758 ( 0.086 -2.333 0.783) 2.462 3.777 ( 1.066 -4.091 -2.087) 4.715 4.154 ( -2.318 0.326 6.737) 7.132 4.228 ( 0.711 -3.797 1.998) 4.349 4.259 ( -0.755 -2.764 -2.509) 3.809 4.296 ( 0.537 -2.404 -3.806) 4.533 5.927 ( -1.215 3.387 0.288) 3.610 5.942 ( -0.636 2.672 -0.314) 2.764 6.141 ( -1.041 4.601 0.660) 4.763 6.158 ( -0.488 3.800 -0.678) 3.891 6.763 ( -1.531 1.911 -0.597) 2.520 6.828 ( 1.435 -0.895 1.007) 1.968 6.968 ( -2.190 -0.323 -1.114) 2.478 7.010 ( -0.406 -0.706 0.775) 1.125 7.272 ( -0.514 1.176 -0.230) 1.304 7.317 ( -1.403 -0.667 0.302) 1.582 7.390 ( 1.675 -2.048 0.442) 2.682 7.406 ( 1.833 -1.472 -0.512) 2.406 7.813 ( 0.297 -0.648 1.583) 1.736 7.858 ( 1.278 -0.150 -2.079) 2.445 7.948 ( 0.894 -0.646 0.231) 1.127 7.963 ( 1.085 -0.850 0.423) 1.441 8.279 ( -0.529 1.255 0.717) 1.539 8.289 ( -0.832 0.954 -0.492) 1.358 8.381 ( -0.812 0.944 -1.802) 2.191 8.405 ( 0.728 -0.006 1.317) 1.504 8.627 ( -1.072 2.072 0.576) 2.403 8.653 ( -0.694 1.189 -0.963) 1.680 8.682 ( 1.059 1.377 -0.605) 1.839 8.695 ( 1.619 1.387 0.886) 2.309 9.289 ( 1.186 -1.265 0.258) 1.753 9.300 ( 0.935 -1.118 -0.838) 1.681 9.378 ( -1.159 -2.178 1.839) 3.077 9.457 ( 1.507 -3.735 -1.965) 4.481 9.523 ( -2.662 -0.311 0.539) 2.734 9.584 ( -0.387 -0.856 0.602) 1.116 9.901 ( -5.758 0.448 -1.400) 5.943 10.048 ( 0.383 2.548 0.205) 2.584 10.358 ( 0.177 -0.465 2.481) 2.530 10.436 ( 2.292 -0.023 -0.681) 2.392 10.539 ( 1.265 -0.182 1.497) 1.968 10.571 ( 2.316 -0.251 -2.268) 3.251 ======================= Grid point 146 (63/70) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -3.012 1.349 -0.767) 3.389 0.664 ( 1.421 2.998 -0.336) 3.335 0.689 ( -3.707 0.320 2.706) 4.601 0.728 ( -5.266 3.357 4.172) 7.510 0.750 ( -4.355 0.225 0.381) 4.378 0.843 ( -3.452 1.536 1.089) 3.932 0.893 ( -0.252 1.416 -1.457) 2.047 0.923 ( 1.137 3.405 -2.108) 4.162 0.976 ( -2.489 -2.558 1.158) 3.752 1.034 ( -1.718 0.544 -0.582) 1.894 1.050 ( -1.208 -0.065 2.363) 2.654 1.162 ( 0.775 -1.607 -1.533) 2.352 1.222 ( 0.463 0.619 -0.536) 0.941 1.250 ( -0.193 1.610 0.548) 1.712 1.355 ( -3.414 -1.137 -1.709) 3.983 1.382 ( -3.461 -1.245 1.600) 4.011 1.409 ( -3.797 0.019 0.231) 3.804 1.441 ( -0.938 0.323 -1.872) 2.119 1.504 ( 0.148 -2.425 -2.300) 3.346 1.578 ( 1.294 0.300 1.171) 1.771 1.670 ( -2.358 -0.238 2.003) 3.103 1.717 ( 0.729 0.268 1.740) 1.906 1.858 ( 4.216 2.104 -1.688) 5.006 1.871 ( 3.259 -0.540 1.214) 3.519 1.948 ( 1.194 -3.416 -3.287) 4.888 1.961 ( 7.339 -3.591 -0.179) 8.172 2.125 ( -5.743 -1.415 0.033) 5.915 2.152 ( 0.073 -3.609 -0.235) 3.617 2.237 ( 0.710 5.858 1.375) 6.059 2.271 ( 2.917 0.630 -2.071) 3.632 2.390 ( -2.302 0.504 1.123) 2.610 2.451 ( -3.744 -3.579 -0.435) 5.198 2.502 ( -0.505 1.479 -0.482) 1.636 2.568 ( -6.613 -2.646 1.806) 7.348 2.625 ( 2.117 0.134 -1.020) 2.353 2.773 ( -3.063 -2.286 1.313) 4.041 2.852 ( 2.875 -1.464 -3.408) 4.693 2.971 ( -0.073 -3.188 2.644) 4.142 3.101 ( -2.890 -4.546 1.324) 5.547 3.209 ( -1.925 -3.494 -1.237) 4.176 3.491 ( 0.460 -2.196 1.661) 2.792 3.561 ( 1.584 0.294 -2.080) 2.631 3.779 ( -1.224 -0.886 1.124) 1.884 3.841 ( 1.333 -2.144 -2.700) 3.697 4.161 ( -2.781 -2.217 4.436) 5.686 4.303 ( -0.292 -4.368 -1.845) 4.751 4.329 ( -0.578 -4.831 -2.475) 5.459 4.358 ( 2.185 -4.557 1.656) 5.319 5.843 ( -0.815 4.664 0.430) 4.754 5.879 ( -0.152 3.589 -0.614) 3.644 6.034 ( -0.816 6.172 0.568) 6.252 6.070 ( 0.442 5.599 -0.391) 5.630 6.706 ( -1.904 2.411 -0.294) 3.086 6.842 ( -0.648 0.334 0.892) 1.153 6.963 ( 0.084 -0.956 -0.988) 1.377 7.020 ( -0.390 -0.572 0.402) 0.800 7.245 ( -0.867 0.915 -0.255) 1.286 7.296 ( -2.981 0.445 0.315) 3.031 7.446 ( 0.848 -2.502 0.123) 2.645 7.469 ( 3.571 -1.998 -0.172) 4.095 7.834 ( 0.395 -0.716 1.283) 1.521 7.864 ( 0.866 -0.257 -1.359) 1.632 7.966 ( 0.676 -0.178 -0.299) 0.760 7.985 ( 0.647 -0.172 0.609) 0.905 8.249 ( -0.206 1.208 -0.965) 1.559 8.264 ( -0.492 1.400 1.176) 1.893 8.352 ( -0.451 0.526 -1.208) 1.392 8.417 ( 0.572 -0.167 0.992) 1.157 8.584 ( -0.848 1.533 0.152) 1.758 8.615 ( 0.068 1.954 -0.907) 2.155 8.669 ( 1.040 1.214 -0.025) 1.598 8.687 ( 1.636 1.381 0.439) 2.185 9.325 ( 0.743 -0.689 0.440) 1.105 9.333 ( 0.174 -2.425 -0.406) 2.465 9.395 ( -0.877 -0.541 0.277) 1.067 9.513 ( -1.722 -1.283 0.128) 2.151 9.525 ( 0.122 -2.491 -0.963) 2.673 9.611 ( -0.909 -2.821 1.047) 3.143 9.833 ( -4.736 1.029 -1.671) 5.127 9.979 ( -2.220 3.891 0.728) 4.538 10.380 ( 0.650 -0.649 1.598) 1.843 10.456 ( 2.150 -0.177 -0.688) 2.264 10.568 ( 1.689 -0.892 1.341) 2.334 10.596 ( 3.143 -0.411 -1.714) 3.603 ======================= Grid point 147 (64/70) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -1.752 1.874 0.629) 2.641 0.589 ( -1.810 4.728 -0.433) 5.081 0.608 ( -4.445 3.712 5.192) 7.777 0.685 ( -0.452 -0.127 -1.222) 1.309 0.761 ( -2.274 -0.735 2.524) 3.475 0.828 ( 0.374 -1.724 1.607) 2.386 0.860 ( -0.766 -0.233 -0.072) 0.804 0.896 ( 0.924 -0.165 -3.036) 3.178 0.988 ( 1.219 2.387 1.895) 3.283 1.007 ( -4.860 -2.322 -0.243) 5.391 1.084 ( -0.340 -2.914 1.038) 3.112 1.160 ( -0.431 1.443 -3.526) 3.834 1.197 ( 2.871 2.735 0.959) 4.080 1.249 ( -1.211 -1.557 1.517) 2.488 1.297 ( -3.451 4.068 -1.404) 5.516 1.345 ( -2.317 0.746 0.187) 2.442 1.383 ( -0.868 0.406 -1.888) 2.117 1.446 ( -3.297 -4.520 0.020) 5.595 1.514 ( 0.045 -1.520 -0.394) 1.571 1.653 ( -1.172 -1.971 0.197) 2.301 1.706 ( 1.675 -4.710 0.518) 5.026 1.728 ( 1.654 -1.899 0.732) 2.623 1.806 ( 1.734 4.076 0.528) 4.460 1.897 ( 2.268 3.064 -0.937) 3.926 2.002 ( 1.385 -4.821 -0.335) 5.027 2.050 ( -0.625 0.921 -1.601) 1.950 2.122 ( 1.956 2.215 0.186) 2.961 2.141 ( -1.900 -1.264 0.930) 2.464 2.261 ( 0.638 -1.635 0.373) 1.794 2.278 ( 0.676 -1.235 -3.978) 4.220 2.407 ( 1.396 -2.935 2.559) 4.137 2.430 ( -3.188 2.454 -1.128) 4.178 2.487 ( -1.325 -2.591 0.019) 2.911 2.545 ( -4.788 -1.160 2.444) 5.499 2.664 ( 1.145 -2.288 0.609) 2.630 2.764 ( -2.523 0.577 0.186) 2.595 2.896 ( 3.526 -0.917 -4.346) 5.671 3.031 ( -3.283 -3.607 4.309) 6.508 3.163 ( 0.215 -3.825 -0.981) 3.955 3.243 ( -1.370 -2.268 -0.392) 2.678 3.551 ( 1.132 -2.679 0.769) 3.008 3.581 ( -0.085 -2.042 0.206) 2.054 3.788 ( -0.164 -0.602 0.082) 0.629 3.855 ( 1.465 0.729 -2.287) 2.812 4.212 ( -1.880 -4.185 2.465) 5.208 4.369 ( -0.627 -3.534 0.178) 3.594 4.396 ( 0.949 -4.103 -2.151) 4.729 4.466 ( 1.001 -4.340 0.772) 4.520 5.764 ( -0.045 3.783 0.521) 3.819 5.820 ( 0.275 2.643 -0.877) 2.798 5.927 ( -0.699 5.254 0.939) 5.383 5.976 ( 1.043 5.473 -0.577) 5.602 6.646 ( -1.324 2.287 -0.052) 2.643 6.824 ( -1.181 0.366 0.284) 1.269 6.978 ( -0.396 -0.551 -0.231) 0.717 7.031 ( 0.828 -0.298 -0.073) 0.883 7.225 ( -0.403 0.376 -0.194) 0.584 7.260 ( -2.286 0.582 0.206) 2.368 7.487 ( -0.479 -1.788 0.038) 1.851 7.521 ( 2.111 -0.628 -0.052) 2.203 7.852 ( 0.421 -0.496 1.194) 1.360 7.877 ( 0.843 -0.636 -0.842) 1.350 7.956 ( -0.482 1.306 0.744) 1.578 7.983 ( 0.173 0.687 -0.765) 1.043 8.234 ( 0.704 1.104 -0.449) 1.384 8.240 ( -0.690 0.264 -0.366) 0.825 8.355 ( 0.715 -0.831 0.351) 1.151 8.427 ( 0.363 0.043 0.752) 0.836 8.559 ( -0.768 0.504 -0.423) 1.011 8.587 ( 0.754 1.385 -0.587) 1.683 8.656 ( 0.858 1.326 0.237) 1.597 8.683 ( 1.159 0.773 0.187) 1.406 9.328 ( -0.702 0.306 0.443) 0.885 9.367 ( -2.909 -2.356 0.937) 3.859 9.401 ( 2.595 0.185 -1.469) 2.987 9.525 ( -1.850 -1.646 1.029) 2.682 9.544 ( -0.401 -0.753 -1.139) 1.423 9.665 ( -0.212 -2.914 0.811) 3.032 9.762 ( -3.089 1.999 -1.587) 4.007 9.901 ( -2.480 2.213 0.801) 3.419 10.401 ( 0.600 -0.469 0.891) 1.172 10.475 ( 1.392 -0.235 -0.669) 1.562 10.604 ( 1.292 -0.764 1.038) 1.825 10.627 ( 2.833 -0.294 -1.098) 3.052 ======================= Grid point 155 (65/70) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -6.390 0.000 0.686) 6.427 0.669 ( -3.795 0.000 3.017) 4.848 0.744 ( -0.568 0.000 -0.401) 0.695 0.745 ( -2.586 0.000 -1.229) 2.863 0.826 ( -5.525 0.000 1.968) 5.866 0.827 ( -7.154 0.000 6.180) 9.453 0.921 ( -3.579 0.000 -1.853) 4.030 0.991 ( -2.100 0.000 3.793) 4.335 1.023 ( 0.371 -0.000 -1.880) 1.916 1.078 ( -1.796 0.000 1.093) 2.102 1.130 ( 0.265 -0.000 1.024) 1.057 1.143 ( -0.116 0.000 -2.225) 2.228 1.185 ( 2.502 -0.000 -1.139) 2.749 1.186 ( 1.083 -0.000 -1.911) 2.196 1.301 ( -2.065 0.000 -1.302) 2.442 1.306 ( -3.063 0.000 0.365) 3.085 1.398 ( -3.658 0.000 -1.362) 3.904 1.485 ( -0.433 0.000 1.760) 1.812 1.495 ( -2.917 0.000 -0.408) 2.945 1.637 ( 4.887 -0.000 -3.165) 5.822 1.668 ( -2.875 0.000 4.150) 5.049 1.708 ( 1.887 -0.000 -1.964) 2.723 1.789 ( 0.391 -0.000 -0.087) 0.401 1.798 ( 3.427 -0.000 -1.812) 3.877 1.933 ( 2.496 -0.000 -1.070) 2.715 1.940 ( 5.335 -0.000 0.383) 5.349 2.058 ( -4.479 0.000 -0.033) 4.479 2.177 ( -3.606 0.000 5.059) 6.212 2.312 ( -4.253 0.000 1.221) 4.425 2.324 ( 3.899 -0.000 -0.146) 3.901 2.388 ( -3.284 0.000 -5.983) 6.825 2.422 ( -2.208 0.000 -0.071) 2.209 2.522 ( 0.306 -0.000 1.728) 1.755 2.522 ( -7.222 0.000 -1.681) 7.415 2.626 ( 1.464 -0.000 -0.376) 1.512 2.672 ( -0.619 0.000 0.169) 0.641 2.828 ( 3.467 -0.000 -2.991) 4.579 2.898 ( -2.992 0.000 5.627) 6.373 3.008 ( -1.549 0.000 0.223) 1.565 3.116 ( -3.522 0.000 -1.725) 3.921 3.478 ( -2.248 0.000 4.242) 4.801 3.576 ( -0.063 0.000 -6.884) 6.884 3.753 ( 2.932 -0.000 -1.287) 3.202 3.766 ( 2.700 -0.000 3.202) 4.189 4.145 ( -4.509 0.000 6.339) 7.779 4.194 ( -1.944 0.000 -5.856) 6.170 4.232 ( 0.912 -0.000 5.100) 5.181 4.265 ( 1.818 -0.000 -4.664) 5.006 5.948 ( -1.516 0.000 0.784) 1.707 5.949 ( -1.834 0.000 -0.818) 2.008 6.170 ( -1.654 0.000 -1.548) 2.265 6.182 ( -1.209 0.000 1.545) 1.962 6.773 ( -0.709 0.000 -1.946) 2.071 6.837 ( 1.723 -0.000 3.201) 3.635 6.936 ( -2.242 0.000 -1.493) 2.694 7.003 ( -0.230 0.000 0.282) 0.364 7.283 ( -1.534 0.000 -0.194) 1.546 7.299 ( -0.716 0.000 0.371) 0.806 7.376 ( 0.673 -0.000 -0.062) 0.676 7.403 ( 1.376 -0.000 -0.229) 1.395 7.818 ( 0.676 -0.000 1.587) 1.725 7.862 ( 1.236 -0.000 -2.155) 2.484 7.956 ( 1.405 -0.000 0.127) 1.411 7.964 ( 1.085 -0.000 0.269) 1.118 8.286 ( -1.041 0.000 0.234) 1.067 8.295 ( -0.158 0.000 1.906) 1.913 8.376 ( -0.553 0.000 -2.557) 2.616 8.414 ( 0.353 -0.000 0.813) 0.887 8.644 ( -0.422 0.000 -2.531) 2.565 8.649 ( -0.729 0.000 1.724) 1.872 8.705 ( 0.755 -0.000 0.009) 0.755 8.725 ( 1.365 -0.000 0.467) 1.443 9.291 ( -0.326 0.000 -0.236) 0.403 9.293 ( 1.614 -0.000 -0.339) 1.649 9.363 ( 1.046 -0.000 1.351) 1.708 9.428 ( 2.022 -0.000 -1.538) 2.540 9.497 ( -2.650 0.000 0.625) 2.722 9.572 ( -1.343 0.000 0.892) 1.612 9.837 ( -6.749 0.000 -1.720) 6.965 10.072 ( -0.598 0.000 -0.370) 0.704 10.368 ( 0.771 -0.000 2.602) 2.714 10.455 ( 2.015 -0.000 -0.176) 2.023 10.559 ( 1.886 -0.000 1.756) 2.577 10.586 ( 3.310 -0.000 -2.632) 4.229 ======================= Grid point 156 (66/70) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -6.714 -0.147 1.232) 6.828 0.642 ( -3.386 -1.693 1.386) 4.031 0.705 ( -1.203 0.891 0.527) 1.587 0.740 ( -4.074 3.601 2.387) 5.938 0.767 ( -7.016 1.482 4.334) 8.379 0.781 ( -6.622 -2.985 2.041) 7.545 0.888 ( -0.884 0.726 -0.142) 1.153 0.940 ( -0.609 3.338 -1.817) 3.848 0.988 ( -0.746 1.153 0.258) 1.398 1.055 ( -1.382 4.909 -1.404) 5.290 1.077 ( -1.985 0.193 1.670) 2.601 1.131 ( -1.432 -1.214 -0.224) 1.890 1.185 ( -1.449 -1.149 -1.659) 2.484 1.234 ( -1.706 -1.943 -0.885) 2.733 1.292 ( -2.964 -1.554 -0.052) 3.347 1.332 ( -0.118 -3.168 -0.423) 3.198 1.363 ( -3.934 -0.724 0.050) 4.000 1.452 ( -2.968 -0.219 -0.638) 3.044 1.471 ( -0.514 1.389 0.033) 1.481 1.623 ( -2.201 2.644 2.583) 4.302 1.668 ( 0.524 0.946 -0.168) 1.094 1.723 ( 0.932 -1.325 0.257) 1.640 1.828 ( -3.415 -3.943 -2.262) 5.686 1.859 ( 5.097 -5.490 -2.911) 8.037 1.942 ( 3.934 2.291 -0.080) 4.553 2.005 ( 3.632 0.703 0.407) 3.722 2.054 ( 1.406 -2.594 0.676) 3.027 2.108 ( -5.432 1.654 2.005) 6.022 2.278 ( -2.306 0.613 -0.160) 2.392 2.336 ( -2.992 -0.180 -4.297) 5.239 2.366 ( 1.941 0.404 -0.926) 2.188 2.395 ( -0.534 2.227 -0.474) 2.338 2.443 ( -5.777 -2.448 0.976) 6.350 2.531 ( -1.564 -0.094 1.254) 2.006 2.644 ( 1.861 -0.473 -0.285) 1.942 2.701 ( -1.102 -2.198 1.084) 2.687 2.847 ( 2.453 -0.380 -3.774) 4.517 2.916 ( -4.016 -2.642 6.331) 7.950 3.022 ( 0.494 -2.695 -0.988) 2.912 3.114 ( -2.948 -3.787 -0.790) 4.864 3.476 ( -0.927 -0.587 3.179) 3.363 3.559 ( 0.556 -0.249 -5.131) 5.167 3.785 ( 1.137 1.071 2.220) 2.714 3.806 ( 2.793 -2.523 -0.695) 3.827 4.127 ( -4.233 -0.661 2.870) 5.156 4.202 ( -1.664 -5.083 -2.586) 5.941 4.254 ( 0.735 -1.346 -0.221) 1.549 4.315 ( 2.035 -3.459 0.184) 4.018 5.904 ( -1.449 2.637 0.095) 3.010 5.920 ( -1.205 1.819 -0.277) 2.199 6.119 ( -1.089 3.551 -0.175) 3.718 6.144 ( -1.077 3.211 0.326) 3.402 6.739 ( -0.187 2.312 -0.747) 2.437 6.857 ( 0.214 1.088 1.880) 2.183 6.926 ( -1.083 -1.687 -1.161) 2.316 7.007 ( -0.112 -0.607 0.085) 0.623 7.254 ( -1.520 0.985 -0.413) 1.858 7.286 ( -1.454 0.706 0.634) 1.736 7.400 ( -0.495 -2.371 -0.329) 2.445 7.448 ( 1.575 -3.025 -0.191) 3.416 7.834 ( 0.704 -0.403 1.421) 1.636 7.865 ( 0.921 -0.081 -1.595) 1.844 7.969 ( 1.144 -0.139 -0.316) 1.195 7.983 ( 0.631 -0.752 0.258) 1.015 8.268 ( -0.723 1.231 0.935) 1.707 8.291 ( 0.156 1.191 1.600) 2.000 8.356 ( -0.116 0.593 -1.988) 2.078 8.420 ( 0.385 -0.211 0.175) 0.472 8.611 ( -0.240 1.936 -1.155) 2.267 8.644 ( -0.016 1.031 0.271) 1.066 8.700 ( 1.039 1.142 0.217) 1.559 8.727 ( 1.210 1.139 0.233) 1.678 9.292 ( -1.522 -1.201 0.477) 1.997 9.317 ( 1.065 -0.980 -0.587) 1.562 9.385 ( 1.559 -0.560 -0.185) 1.667 9.478 ( -1.105 -1.200 -0.877) 1.852 9.480 ( 0.578 -2.271 0.840) 2.490 9.567 ( -1.929 -1.112 1.148) 2.505 9.777 ( -5.694 -0.854 -1.722) 6.009 10.025 ( -2.465 3.428 -0.833) 4.304 10.387 ( 0.860 -0.184 2.216) 2.384 10.473 ( 1.702 -0.060 -0.016) 1.703 10.585 ( 2.317 -0.030 1.581) 2.805 10.616 ( 3.961 -0.384 -2.234) 4.564 ======================= Grid point 157 (67/70) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -3.413 -1.691 1.370) 4.048 0.620 ( -5.616 3.805 1.759) 7.008 0.676 ( -4.045 0.071 5.367) 6.722 0.680 ( -0.969 1.297 0.532) 1.704 0.706 ( 0.843 -1.343 1.005) 1.877 0.789 ( -3.617 -2.856 1.352) 4.802 0.861 ( -3.036 1.394 0.418) 3.366 0.895 ( -1.346 -1.452 -2.844) 3.465 0.940 ( 0.489 2.758 -2.152) 3.533 1.023 ( 0.910 -2.010 -1.493) 2.664 1.059 ( -1.009 1.241 4.016) 4.322 1.157 ( -0.230 -0.350 -1.522) 1.578 1.184 ( -3.407 -4.103 0.565) 5.363 1.231 ( -1.945 -0.883 -0.434) 2.179 1.299 ( -2.862 -2.451 -0.935) 3.882 1.320 ( -2.959 2.006 0.116) 3.577 1.352 ( -2.308 0.663 0.967) 2.589 1.429 ( -0.189 2.639 0.120) 2.648 1.470 ( -1.447 -3.882 -2.838) 5.022 1.600 ( 0.489 -1.399 0.416) 1.539 1.669 ( 0.410 -1.154 3.326) 3.544 1.744 ( 1.662 0.225 -0.232) 1.693 1.852 ( -6.389 -5.238 -3.910) 9.140 1.914 ( 1.661 2.199 0.809) 2.872 1.971 ( 3.696 -0.144 -1.713) 4.076 1.986 ( -6.025 0.787 2.189) 6.459 2.092 ( 5.696 -4.323 -1.643) 7.337 2.165 ( -0.186 -1.376 0.138) 1.395 2.231 ( -3.798 -0.686 -2.514) 4.606 2.308 ( 2.430 2.481 0.113) 3.475 2.342 ( 1.062 -1.263 -0.551) 1.739 2.408 ( -3.798 -3.719 1.319) 5.477 2.468 ( -0.005 -1.537 -1.329) 2.031 2.496 ( -1.871 2.231 2.369) 3.754 2.662 ( 1.182 0.224 -0.352) 1.254 2.716 ( -4.000 -2.305 1.459) 4.842 2.880 ( 2.994 -2.242 -4.778) 6.068 2.947 ( -4.979 -2.943 6.142) 8.437 3.097 ( 2.251 -4.231 -2.110) 5.237 3.169 ( -2.129 -4.435 0.963) 5.013 3.510 ( -0.275 -2.563 2.513) 3.599 3.560 ( 1.015 -0.816 -3.439) 3.677 3.781 ( -0.057 0.147 2.117) 2.123 3.865 ( 3.290 -1.031 -2.944) 4.534 4.137 ( -2.306 -3.330 2.573) 4.799 4.286 ( -1.258 -6.158 -1.474) 6.456 4.304 ( 0.359 -3.866 -0.652) 3.937 4.407 ( 1.924 -4.276 0.754) 4.750 5.840 ( -0.184 3.721 0.774) 3.805 5.869 ( 0.205 2.906 -1.230) 3.163 6.028 ( -0.571 5.938 1.376) 6.122 6.068 ( -0.202 4.344 -0.998) 4.462 6.690 ( 0.460 3.059 -0.249) 3.104 6.832 ( -0.261 1.265 0.476) 1.377 6.948 ( -1.319 -1.584 0.007) 2.061 7.018 ( -1.003 -0.776 -0.197) 1.284 7.229 ( -0.085 0.293 -0.358) 0.470 7.261 ( -0.902 0.866 0.431) 1.323 7.434 ( -2.132 -2.587 -0.148) 3.356 7.508 ( 0.404 -2.167 -0.272) 2.221 7.853 ( 0.607 -0.491 1.348) 1.557 7.875 ( 1.300 -0.425 -1.024) 1.709 7.972 ( 0.121 0.633 -0.316) 0.718 7.992 ( -0.113 0.257 -0.050) 0.285 8.243 ( -0.451 1.078 0.743) 1.385 8.267 ( 0.469 1.834 0.110) 1.896 8.356 ( 1.348 -0.466 -0.116) 1.431 8.431 ( 0.572 -0.321 -0.015) 0.656 8.575 ( 0.408 1.641 -1.011) 1.970 8.621 ( 0.681 1.701 0.034) 1.832 8.690 ( 0.855 1.383 0.428) 1.682 8.715 ( 1.210 1.319 0.019) 1.790 9.298 ( -3.416 -1.597 0.464) 3.799 9.324 ( -1.251 -0.074 0.303) 1.289 9.411 ( 1.993 -0.641 -1.377) 2.506 9.481 ( -1.090 -1.845 0.568) 2.217 9.518 ( -1.267 -1.055 0.042) 1.650 9.607 ( 0.038 -3.765 0.715) 3.832 9.740 ( -3.685 -0.134 -1.444) 3.960 9.924 ( -3.363 3.425 -0.714) 4.853 10.405 ( 0.717 -0.212 1.585) 1.752 10.488 ( 1.441 0.090 -0.338) 1.482 10.614 ( 1.978 -0.218 1.417) 2.443 10.652 ( 3.775 -0.160 -1.723) 4.153 ======================= Grid point 165 (68/70) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -7.905 0.000 6.192) 10.041 0.576 ( -9.826 0.000 2.074) 10.043 0.667 ( -4.431 0.000 -2.468) 5.072 0.690 ( -2.644 0.000 0.857) 2.779 0.755 ( -6.614 0.000 9.391) 11.487 0.759 ( -2.695 0.000 -2.273) 3.526 0.882 ( 0.716 -0.000 -1.442) 1.610 0.966 ( -4.028 0.000 -0.488) 4.057 1.000 ( -3.023 0.000 0.021) 3.023 1.009 ( -3.461 0.000 4.501) 5.678 1.098 ( -5.051 0.000 -2.009) 5.436 1.130 ( -1.501 0.000 -1.518) 2.134 1.146 ( -3.396 0.000 0.569) 3.444 1.157 ( -5.382 0.000 0.611) 5.416 1.235 ( -4.635 0.000 1.007) 4.743 1.302 ( 0.916 -0.000 -0.955) 1.323 1.324 ( -2.821 0.000 0.194) 2.828 1.399 ( -4.641 0.000 -0.380) 4.657 1.469 ( -1.683 0.000 -0.579) 1.780 1.622 ( -4.308 0.000 3.404) 5.490 1.694 ( 0.221 -0.000 0.949) 0.974 1.711 ( 0.271 -0.000 -4.761) 4.768 1.771 ( -1.020 0.000 0.690) 1.231 1.823 ( 4.958 -0.000 -4.500) 6.695 2.003 ( -1.784 0.000 -0.137) 1.789 2.013 ( 1.132 -0.000 0.439) 1.214 2.071 ( 6.014 -0.000 0.942) 6.087 2.100 ( -0.699 0.000 -1.559) 1.709 2.258 ( -2.080 0.000 0.754) 2.213 2.288 ( -1.386 0.000 -4.909) 5.101 2.371 ( -3.984 0.000 0.111) 3.985 2.390 ( -2.018 0.000 0.731) 2.146 2.416 ( 1.490 -0.000 0.302) 1.521 2.507 ( -1.857 0.000 1.184) 2.202 2.655 ( 1.135 -0.000 1.189) 1.644 2.700 ( 2.614 -0.000 -0.353) 2.638 2.855 ( 1.814 -0.000 -4.588) 4.934 2.869 ( -4.128 0.000 6.838) 7.987 3.005 ( 0.404 -0.000 -0.164) 0.436 3.042 ( -2.407 0.000 -0.879) 2.563 3.468 ( -2.001 0.000 3.744) 4.245 3.546 ( 1.685 -0.000 -5.517) 5.768 3.815 ( 4.003 -0.000 0.115) 4.004 3.821 ( 0.713 -0.000 2.238) 2.349 4.076 ( -6.475 0.000 4.354) 7.803 4.122 ( -0.558 0.000 -6.236) 6.261 4.272 ( 0.021 -0.000 3.513) 3.513 4.285 ( 2.694 -0.000 -2.395) 3.604 5.905 ( -1.996 0.000 -0.758) 2.135 5.921 ( -1.911 0.000 0.609) 2.006 6.129 ( -1.582 0.000 -0.934) 1.838 6.166 ( -1.428 0.000 1.008) 1.748 6.761 ( 0.416 -0.000 -0.395) 0.574 6.882 ( -0.204 0.000 0.296) 0.360 6.899 ( 0.658 -0.000 0.495) 0.824 6.998 ( -0.541 0.000 -0.337) 0.638 7.244 ( -1.614 0.000 -0.552) 1.706 7.290 ( -0.949 0.000 1.127) 1.473 7.365 ( -1.350 0.000 -1.961) 2.381 7.413 ( -0.970 0.000 0.345) 1.029 7.842 ( 0.697 -0.000 1.427) 1.588 7.866 ( 0.790 -0.000 -1.403) 1.610 7.979 ( 1.089 -0.000 -0.511) 1.203 7.981 ( 0.254 -0.000 0.406) 0.479 8.278 ( -0.752 0.000 1.893) 2.037 8.314 ( 0.489 -0.000 2.187) 2.241 8.354 ( 0.346 -0.000 -2.109) 2.137 8.421 ( 0.631 -0.000 -0.829) 1.042 8.626 ( 0.494 -0.000 -2.435) 2.485 8.650 ( -0.612 0.000 1.801) 1.903 8.723 ( 0.906 -0.000 0.431) 1.003 8.747 ( 0.848 -0.000 -0.128) 0.858 9.266 ( -2.459 0.000 1.079) 2.685 9.316 ( 1.453 -0.000 -1.856) 2.358 9.405 ( 2.410 -0.000 0.283) 2.427 9.452 ( -0.790 0.000 -0.904) 1.201 9.475 ( 2.038 -0.000 0.848) 2.207 9.539 ( -2.932 0.000 1.237) 3.182 9.702 ( -5.738 0.000 -1.710) 5.987 10.027 ( -2.935 0.000 -4.073) 5.021 10.404 ( 0.977 -0.000 3.233) 3.377 10.485 ( 1.057 -0.000 0.470) 1.157 10.615 ( 2.335 -0.000 2.133) 3.163 10.644 ( 4.565 -0.000 -2.584) 5.245 ======================= Grid point 166 (69/70) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -6.242 -1.486 7.708) 10.029 0.519 ( -11.582 -4.932 1.691) 12.702 0.630 ( -3.697 -2.322 0.004) 4.365 0.677 ( -1.895 1.405 -2.487) 3.428 0.711 ( -1.050 -1.720 -1.015) 2.257 0.725 ( -4.405 0.819 8.253) 9.391 0.885 ( 0.125 2.034 0.064) 2.038 0.902 ( -4.323 3.499 -0.423) 5.578 0.951 ( -3.237 -2.590 -1.214) 4.319 0.987 ( -2.374 0.785 -1.943) 3.167 1.040 ( -3.430 -1.767 3.980) 5.544 1.102 ( -2.840 -0.956 -0.589) 3.054 1.113 ( -5.052 -2.679 0.721) 5.763 1.187 ( -2.020 -3.039 2.041) 4.181 1.216 ( -6.511 -2.218 0.677) 6.912 1.287 ( -3.547 -1.414 -1.350) 4.051 1.335 ( -0.183 -1.693 0.108) 1.706 1.370 ( -2.400 0.640 -0.617) 2.559 1.455 ( -2.005 -0.616 0.586) 2.178 1.597 ( -1.831 -0.283 2.322) 2.970 1.685 ( 0.955 1.547 0.854) 2.008 1.709 ( -0.864 -2.956 -6.039) 6.779 1.741 ( -2.386 0.397 -1.599) 2.900 1.903 ( -0.422 0.048 0.419) 0.597 1.944 ( -0.144 -1.542 -3.836) 4.136 2.043 ( -0.795 -0.091 -1.740) 1.916 2.099 ( 5.975 -0.128 1.007) 6.061 2.145 ( 1.700 1.340 0.502) 2.222 2.187 ( -0.775 -0.269 -0.929) 1.240 2.303 ( -0.144 -0.706 -0.193) 0.746 2.321 ( -2.720 -1.883 -0.302) 3.322 2.413 ( 0.588 0.990 0.461) 1.240 2.449 ( 2.422 -2.017 -0.357) 3.173 2.497 ( -1.780 -0.190 1.009) 2.055 2.640 ( -2.129 0.940 2.649) 3.526 2.719 ( 1.032 2.024 0.254) 2.286 2.851 ( 1.469 -1.363 -4.913) 5.306 2.882 ( -3.914 -2.202 5.699) 7.256 3.042 ( 2.082 -3.580 -1.316) 4.345 3.073 ( -1.098 -4.338 0.614) 4.517 3.475 ( -1.824 -1.574 3.375) 4.147 3.548 ( 2.195 -0.275 -5.025) 5.490 3.807 ( -0.485 1.703 2.551) 3.105 3.871 ( 4.355 -1.320 -1.414) 4.765 4.058 ( -4.703 -3.017 2.573) 6.151 4.152 ( -0.548 -5.375 -4.227) 6.860 4.276 ( 0.660 -0.652 1.813) 2.037 4.351 ( 1.518 -3.945 -0.130) 4.229 5.874 ( -1.222 1.238 -0.482) 1.805 5.908 ( 0.118 0.577 0.162) 0.611 6.099 ( -0.902 1.740 -0.407) 2.001 6.123 ( -1.224 3.451 0.283) 3.673 6.749 ( 1.608 2.149 -0.103) 2.686 6.863 ( 0.209 1.469 -0.448) 1.550 6.914 ( -0.515 -0.612 1.080) 1.344 6.992 ( -1.753 -0.378 -0.384) 1.834 7.229 ( -0.154 0.097 -0.476) 0.509 7.271 ( -0.736 0.854 0.380) 1.189 7.363 ( -2.832 -2.372 -0.781) 3.776 7.448 ( -1.163 -4.050 -0.917) 4.313 7.856 ( 0.594 -0.353 1.316) 1.486 7.875 ( 1.227 -0.507 -0.824) 1.562 7.981 ( 0.427 0.227 -0.216) 0.530 7.988 ( 0.007 -0.291 -0.295) 0.415 8.267 ( -0.478 1.259 1.949) 2.369 8.310 ( 0.827 1.846 1.128) 2.316 8.357 ( 1.015 -0.545 -0.389) 1.216 8.429 ( 1.066 -0.319 -0.982) 1.484 8.608 ( 1.138 1.518 -1.640) 2.508 8.648 ( -0.330 0.611 0.913) 1.147 8.722 ( 0.873 1.072 0.556) 1.490 8.745 ( 0.827 0.852 -0.307) 1.226 9.250 ( -3.302 -0.606 1.348) 3.617 9.316 ( -0.500 0.462 -2.000) 2.113 9.421 ( 1.571 0.478 -0.459) 1.705 9.448 ( -0.715 -1.101 0.315) 1.350 9.489 ( -1.836 -0.304 0.689) 1.985 9.548 ( -0.237 -2.776 0.336) 2.806 9.682 ( -2.891 -2.321 -1.160) 3.884 9.936 ( -4.880 2.832 -5.995) 8.232 10.422 ( 1.175 0.514 3.262) 3.506 10.498 ( 0.789 -0.174 0.515) 0.959 10.641 ( 1.974 0.283 1.943) 2.785 10.679 ( 4.228 -0.137 -2.318) 4.824 ======================= Grid point 175 (70/70) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( -13.669 0.000 4.650) 14.438 0.374 ( -8.565 0.000 10.298) 13.395 0.554 ( -3.983 0.000 -3.431) 5.257 0.639 ( -6.357 0.000 -4.551) 7.818 0.680 ( -10.748 0.000 3.962) 11.455 0.682 ( 0.858 -0.000 -1.954) 2.134 0.793 ( -15.785 0.000 13.415) 20.716 0.881 ( -2.986 0.000 -0.077) 2.987 0.897 ( 0.466 -0.000 -0.701) 0.842 0.979 ( -5.352 0.000 0.338) 5.363 1.006 ( -1.037 0.000 2.524) 2.729 1.057 ( -0.616 0.000 0.972) 1.150 1.107 ( -4.122 0.000 2.670) 4.911 1.118 ( -5.511 0.000 2.732) 6.150 1.142 ( -0.113 0.000 -1.363) 1.368 1.259 ( -1.311 0.000 -2.224) 2.582 1.333 ( 0.381 -0.000 1.161) 1.222 1.370 ( 0.658 -0.000 -1.277) 1.437 1.417 ( -1.879 0.000 -2.837) 3.403 1.592 ( -0.627 0.000 2.402) 2.483 1.615 ( -3.107 0.000 -10.082) 10.550 1.681 ( -1.072 0.000 -1.006) 1.471 1.780 ( 1.107 -0.000 -0.319) 1.152 1.907 ( 5.723 -0.000 -7.967) 9.809 1.933 ( -2.269 0.000 3.994) 4.593 2.037 ( 0.105 -0.000 0.788) 0.795 2.100 ( -0.268 0.000 -0.858) 0.899 2.174 ( 2.929 -0.000 0.227) 2.938 2.241 ( -0.710 0.000 0.758) 1.038 2.254 ( -0.077 0.000 -2.965) 2.966 2.328 ( -1.016 0.000 3.220) 3.376 2.341 ( -2.442 0.000 -0.040) 2.442 2.474 ( 3.766 -0.000 -0.678) 3.826 2.503 ( 0.747 -0.000 2.155) 2.281 2.683 ( 0.641 -0.000 2.268) 2.357 2.747 ( 1.935 -0.000 0.278) 1.955 2.833 ( 0.152 -0.000 -3.001) 3.005 2.841 ( -3.232 0.000 4.202) 5.301 3.009 ( -0.343 0.000 0.977) 1.035 3.028 ( 1.153 -0.000 -1.384) 1.801 3.448 ( -2.843 0.000 3.646) 4.623 3.554 ( 2.750 -0.000 -5.044) 5.745 3.830 ( -0.458 0.000 0.981) 1.083 3.894 ( 3.959 -0.000 -0.991) 4.081 3.978 ( -6.732 0.000 4.878) 8.313 4.093 ( 1.605 -0.000 -5.258) 5.497 4.287 ( -0.799 0.000 2.961) 3.067 4.318 ( 1.845 -0.000 -1.313) 2.265 5.872 ( -0.908 0.000 -0.182) 0.926 5.888 ( -1.628 0.000 0.135) 1.634 6.098 ( -1.242 0.000 -0.468) 1.327 6.144 ( -1.292 0.000 0.047) 1.293 6.781 ( 1.291 -0.000 0.769) 1.503 6.867 ( 0.246 -0.000 -1.981) 1.996 6.930 ( 0.350 -0.000 1.799) 1.832 6.971 ( -1.853 0.000 -0.456) 1.908 7.236 ( 1.282 -0.000 -0.424) 1.351 7.262 ( -2.763 0.000 -2.469) 3.705 7.301 ( -3.318 0.000 -0.186) 3.324 7.364 ( -4.152 0.000 -0.018) 4.152 7.862 ( 0.272 -0.000 1.276) 1.305 7.879 ( 1.326 -0.000 -0.543) 1.433 7.980 ( -0.459 0.000 0.524) 0.696 7.990 ( 0.552 -0.000 -0.469) 0.724 8.291 ( 1.474 -0.000 2.050) 2.525 8.332 ( -0.001 0.000 1.076) 1.076 8.368 ( 1.562 -0.000 1.258) 2.006 8.437 ( 1.820 -0.000 -1.030) 2.091 8.628 ( 1.170 -0.000 -1.740) 2.096 8.645 ( -1.301 0.000 1.249) 1.803 8.741 ( 0.533 -0.000 0.535) 0.755 8.757 ( 0.538 -0.000 -0.490) 0.728 9.221 ( -2.990 0.000 1.502) 3.346 9.312 ( -0.279 0.000 -3.675) 3.686 9.430 ( -1.255 0.000 0.765) 1.470 9.442 ( 0.720 -0.000 0.670) 0.983 9.483 ( -3.167 0.000 0.186) 3.172 9.525 ( 2.360 -0.000 -2.061) 3.133 9.618 ( -1.568 0.000 -1.558) 2.211 9.845 ( -12.511 0.000 -12.772) 17.879 10.471 ( 3.842 -0.000 3.583) 5.254 10.503 ( 0.234 -0.000 0.988) 1.016 10.670 ( 1.512 -0.000 2.845) 3.222 10.709 ( 3.771 -0.000 -2.225) 4.379 =================== 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 3/20412 10.0 4.152 3.195 2.832 0.000 -0.060 -0.000 3/20412 20.0 1.566 1.196 1.033 0.000 -0.063 -0.000 3/20412 30.0 0.984 0.771 0.646 0.000 -0.048 -0.000 3/20412 40.0 0.732 0.585 0.482 0.000 -0.042 -0.000 3/20412 50.0 0.587 0.479 0.390 0.000 -0.039 -0.000 3/20412 60.0 0.492 0.408 0.329 0.000 -0.035 -0.000 3/20412 70.0 0.425 0.357 0.286 0.000 -0.033 -0.000 3/20412 80.0 0.375 0.317 0.254 0.000 -0.030 -0.000 3/20412 90.0 0.336 0.286 0.228 0.000 -0.028 -0.000 3/20412 100.0 0.305 0.261 0.207 0.000 -0.026 -0.000 3/20412 110.0 0.279 0.240 0.190 0.000 -0.024 -0.000 3/20412 120.0 0.258 0.222 0.176 0.000 -0.022 -0.000 3/20412 130.0 0.239 0.206 0.163 0.000 -0.021 -0.000 3/20412 140.0 0.224 0.193 0.153 0.000 -0.020 -0.000 3/20412 150.0 0.210 0.181 0.143 0.000 -0.019 -0.000 3/20412 160.0 0.198 0.170 0.135 0.000 -0.018 -0.000 3/20412 170.0 0.187 0.161 0.128 0.000 -0.017 -0.000 3/20412 180.0 0.177 0.153 0.121 0.000 -0.016 -0.000 3/20412 190.0 0.169 0.145 0.115 0.000 -0.016 -0.000 3/20412 200.0 0.161 0.138 0.110 0.000 -0.015 -0.000 3/20412 210.0 0.154 0.132 0.105 0.000 -0.014 -0.000 3/20412 220.0 0.147 0.126 0.100 0.000 -0.014 -0.000 3/20412 230.0 0.141 0.121 0.096 0.000 -0.013 -0.000 3/20412 240.0 0.135 0.116 0.092 0.000 -0.013 -0.000 3/20412 250.0 0.130 0.112 0.089 0.000 -0.012 -0.000 3/20412 260.0 0.126 0.108 0.086 0.000 -0.012 -0.000 3/20412 270.0 0.121 0.104 0.083 0.000 -0.011 -0.000 3/20412 280.0 0.117 0.100 0.080 0.000 -0.011 -0.000 3/20412 290.0 0.113 0.097 0.077 0.000 -0.011 -0.000 3/20412 300.0 0.109 0.094 0.075 0.000 -0.010 -0.000 3/20412 310.0 0.106 0.091 0.072 0.000 -0.010 -0.000 3/20412 320.0 0.103 0.088 0.070 0.000 -0.010 -0.000 3/20412 330.0 0.100 0.086 0.068 0.000 -0.009 -0.000 3/20412 340.0 0.097 0.083 0.066 0.000 -0.009 -0.000 3/20412 350.0 0.094 0.081 0.064 0.000 -0.009 -0.000 3/20412 360.0 0.092 0.079 0.063 0.000 -0.009 -0.000 3/20412 370.0 0.089 0.077 0.061 0.000 -0.009 -0.000 3/20412 380.0 0.087 0.075 0.059 0.000 -0.008 -0.000 3/20412 390.0 0.085 0.073 0.058 0.000 -0.008 -0.000 3/20412 400.0 0.083 0.071 0.057 0.000 -0.008 -0.000 3/20412 410.0 0.081 0.069 0.055 0.000 -0.008 -0.000 3/20412 420.0 0.079 0.068 0.054 0.000 -0.008 -0.000 3/20412 430.0 0.077 0.066 0.053 0.000 -0.007 -0.000 3/20412 440.0 0.076 0.065 0.051 0.000 -0.007 -0.000 3/20412 450.0 0.074 0.063 0.050 0.000 -0.007 -0.000 3/20412 460.0 0.072 0.062 0.049 0.000 -0.007 -0.000 3/20412 470.0 0.071 0.061 0.048 0.000 -0.007 -0.000 3/20412 480.0 0.069 0.059 0.047 0.000 -0.007 -0.000 3/20412 490.0 0.068 0.058 0.046 0.000 -0.007 -0.000 3/20412 500.0 0.067 0.057 0.045 0.000 -0.006 -0.000 3/20412 510.0 0.065 0.056 0.045 0.000 -0.006 -0.000 3/20412 520.0 0.064 0.055 0.044 0.000 -0.006 -0.000 3/20412 530.0 0.063 0.054 0.043 0.000 -0.006 -0.000 3/20412 540.0 0.062 0.053 0.042 0.000 -0.006 -0.000 3/20412 550.0 0.061 0.052 0.041 0.000 -0.006 -0.000 3/20412 560.0 0.060 0.051 0.041 0.000 -0.006 -0.000 3/20412 570.0 0.059 0.050 0.040 0.000 -0.006 -0.000 3/20412 580.0 0.058 0.049 0.039 0.000 -0.006 -0.000 3/20412 590.0 0.057 0.048 0.039 0.000 -0.005 -0.000 3/20412 600.0 0.056 0.048 0.038 0.000 -0.005 -0.000 3/20412 610.0 0.055 0.047 0.037 0.000 -0.005 -0.000 3/20412 620.0 0.054 0.046 0.037 0.000 -0.005 -0.000 3/20412 630.0 0.053 0.045 0.036 0.000 -0.005 -0.000 3/20412 640.0 0.052 0.045 0.036 0.000 -0.005 -0.000 3/20412 650.0 0.051 0.044 0.035 0.000 -0.005 -0.000 3/20412 660.0 0.051 0.043 0.035 0.000 -0.005 -0.000 3/20412 670.0 0.050 0.043 0.034 0.000 -0.005 -0.000 3/20412 680.0 0.049 0.042 0.034 0.000 -0.005 -0.000 3/20412 690.0 0.049 0.041 0.033 0.000 -0.005 -0.000 3/20412 700.0 0.048 0.041 0.033 0.000 -0.005 -0.000 3/20412 710.0 0.047 0.040 0.032 0.000 -0.005 -0.000 3/20412 720.0 0.047 0.040 0.032 0.000 -0.004 -0.000 3/20412 730.0 0.046 0.039 0.031 0.000 -0.004 -0.000 3/20412 740.0 0.045 0.039 0.031 0.000 -0.004 -0.000 3/20412 750.0 0.045 0.038 0.030 0.000 -0.004 -0.000 3/20412 760.0 0.044 0.038 0.030 0.000 -0.004 -0.000 3/20412 770.0 0.044 0.037 0.030 0.000 -0.004 -0.000 3/20412 780.0 0.043 0.037 0.029 0.000 -0.004 -0.000 3/20412 790.0 0.042 0.036 0.029 0.000 -0.004 -0.000 3/20412 800.0 0.042 0.036 0.029 0.000 -0.004 -0.000 3/20412 810.0 0.041 0.035 0.028 0.000 -0.004 -0.000 3/20412 820.0 0.041 0.035 0.028 0.000 -0.004 -0.000 3/20412 830.0 0.040 0.035 0.028 0.000 -0.004 -0.000 3/20412 840.0 0.040 0.034 0.027 0.000 -0.004 -0.000 3/20412 850.0 0.039 0.034 0.027 0.000 -0.004 -0.000 3/20412 860.0 0.039 0.033 0.027 0.000 -0.004 -0.000 3/20412 870.0 0.039 0.033 0.026 0.000 -0.004 -0.000 3/20412 880.0 0.038 0.033 0.026 0.000 -0.004 -0.000 3/20412 890.0 0.038 0.032 0.026 0.000 -0.004 -0.000 3/20412 900.0 0.037 0.032 0.025 0.000 -0.004 -0.000 3/20412 910.0 0.037 0.032 0.025 0.000 -0.004 -0.000 3/20412 920.0 0.036 0.031 0.025 0.000 -0.004 -0.000 3/20412 930.0 0.036 0.031 0.025 0.000 -0.003 -0.000 3/20412 940.0 0.036 0.031 0.024 0.000 -0.003 -0.000 3/20412 950.0 0.035 0.030 0.024 0.000 -0.003 -0.000 3/20412 960.0 0.035 0.030 0.024 0.000 -0.003 -0.000 3/20412 970.0 0.035 0.030 0.024 0.000 -0.003 -0.000 3/20412 980.0 0.034 0.029 0.023 0.000 -0.003 -0.000 3/20412 990.0 0.034 0.029 0.023 0.000 -0.003 -0.000 3/20412 1000.0 0.034 0.029 0.023 0.000 -0.003 -0.000 3/20412 Thermal conductivity related properties were written into "kappa-m993.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:29:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|