----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:29:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.443990100556649 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721091529999999 0.000000000000000 c -2.522211900091928 0.000000000000000 5.735674168466271 Atomic positions (fractional): *1 K 0.94594274080634 0.15130933731202 0.96086669282122 39.098 2 K 0.94594274080634 0.34869066268798 0.46086669282122 39.098 3 K 0.05405725919366 0.65130933731202 0.53913330717878 39.098 4 K 0.05405725919366 0.84869066268798 0.03913330717878 39.098 *5 Li 0.44036657874803 0.25476375119418 0.53861767040888 6.941 6 Li 0.44036657874803 0.24523624880582 0.03861767040888 6.941 7 Li 0.55963342125197 0.74523624880582 0.46138232959112 6.941 8 Li 0.55963342125197 0.75476375119418 0.96138232959112 6.941 *9 Y 0.31788467562261 0.00267407104379 0.67984761667008 88.906 10 Y 0.68211532437739 0.99732592895621 0.32015238332992 88.906 11 Y 0.31788467562261 0.49732592895621 0.17984761667008 88.906 12 Y 0.68211532437739 0.50267407104379 0.82015238332992 88.906 *13 F 0.70924142755657 0.32594839117003 0.71964068730391 18.998 *14 F 0.53727021478954 0.39507453516297 0.03636818895243 18.998 15 F 0.29075857244343 0.67405160882997 0.28035931269609 18.998 *16 F 0.95658362982379 0.99100159917311 0.67390754271493 18.998 17 F 0.29075857244343 0.82594839117003 0.78035931269609 18.998 18 F 0.46272978521046 0.60492546483703 0.96363181104757 18.998 19 F 0.53727021478954 0.10492546483703 0.53636818895243 18.998 *20 F 0.33538339158382 0.46740517988382 0.54806797144804 18.998 *21 F 0.27741612005323 0.19517432303245 0.72153062375186 18.998 22 F 0.72258387994677 0.69517432303245 0.77846937624814 18.998 23 F 0.66461660841618 0.53259482011618 0.45193202855196 18.998 24 F 0.04341637017621 0.00899840082689 0.32609245728507 18.998 25 F 0.72258387994677 0.80482567696755 0.27846937624814 18.998 26 F 0.04341637017621 0.49100159917311 0.82609245728507 18.998 27 F 0.33538339158382 0.03259482011618 0.04806797144804 18.998 28 F 0.27741612005323 0.30482567696755 0.22153062375186 18.998 29 F 0.66461660841618 0.96740517988382 0.95193202855196 18.998 30 F 0.70924142755657 0.17405160882997 0.21964068730391 18.998 31 F 0.46272978521046 0.89507453516297 0.46363181104757 18.998 32 F 0.95658362982379 0.50899840082689 0.17390754271493 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.443990100556649 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721091529999999 0.000000000000000 c -2.522211900091928 0.000000000000000 5.735674168466271 Atomic positions (fractional): *1 K 0.94594274080634 0.15130933731202 0.96086669282122 39.098 > 1 2 K 0.94594274080634 0.34869066268798 0.46086669282122 39.098 > 2 3 K 0.05405725919366 0.65130933731202 0.53913330717878 39.098 > 3 4 K 0.05405725919366 0.84869066268798 0.03913330717878 39.098 > 4 *5 Li 0.44036657874803 0.25476375119418 0.53861767040888 6.941 > 5 6 Li 0.44036657874803 0.24523624880582 0.03861767040888 6.941 > 6 7 Li 0.55963342125197 0.74523624880582 0.46138232959112 6.941 > 7 8 Li 0.55963342125197 0.75476375119418 0.96138232959112 6.941 > 8 *9 Y 0.31788467562261 0.00267407104379 0.67984761667008 88.906 > 9 10 Y 0.68211532437739 0.99732592895621 0.32015238332992 88.906 > 10 11 Y 0.31788467562261 0.49732592895621 0.17984761667008 88.906 > 11 12 Y 0.68211532437739 0.50267407104379 0.82015238332992 88.906 > 12 *13 F 0.70924142755657 0.32594839117003 0.71964068730391 18.998 > 13 *14 F 0.53727021478954 0.39507453516297 0.03636818895243 18.998 > 14 15 F 0.29075857244343 0.67405160882997 0.28035931269609 18.998 > 15 *16 F 0.95658362982379 0.99100159917311 0.67390754271493 18.998 > 16 17 F 0.29075857244343 0.82594839117003 0.78035931269609 18.998 > 17 18 F 0.46272978521046 0.60492546483703 0.96363181104757 18.998 > 18 19 F 0.53727021478954 0.10492546483703 0.53636818895243 18.998 > 19 *20 F 0.33538339158382 0.46740517988382 0.54806797144804 18.998 > 20 *21 F 0.27741612005323 0.19517432303245 0.72153062375186 18.998 > 21 22 F 0.72258387994677 0.69517432303245 0.77846937624814 18.998 > 22 23 F 0.66461660841618 0.53259482011618 0.45193202855196 18.998 > 23 24 F 0.04341637017621 0.00899840082689 0.32609245728507 18.998 > 24 25 F 0.72258387994677 0.80482567696755 0.27846937624814 18.998 > 25 26 F 0.04341637017621 0.49100159917311 0.82609245728507 18.998 > 26 27 F 0.33538339158382 0.03259482011618 0.04806797144804 18.998 > 27 28 F 0.27741612005323 0.30482567696755 0.22153062375186 18.998 > 28 29 F 0.66461660841618 0.96740517988382 0.95193202855196 18.998 > 29 30 F 0.70924142755657 0.17405160882997 0.21964068730391 18.998 > 30 31 F 0.46272978521046 0.89507453516297 0.46363181104757 18.998 > 31 32 F 0.95658362982379 0.50899840082689 0.17390754271493 18.998 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.887980201113297 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721091529999999 0.000000000000000 c -5.044423800183856 0.000000000000000 11.471348336932541 Atomic positions (fractional): *1 K 0.47297137040317 0.15130933731202 0.48043334641061 39.098 > 1 2 K 0.97297137040317 0.15130933731202 0.48043334641061 39.098 > 1 3 K 0.47297137040317 0.15130933731202 0.98043334641061 39.098 > 1 4 K 0.97297137040317 0.15130933731202 0.98043334641061 39.098 > 1 5 K 0.47297137040317 0.34869066268798 0.23043334641061 39.098 > 2 6 K 0.97297137040317 0.34869066268798 0.23043334641061 39.098 > 2 7 K 0.47297137040317 0.34869066268798 0.73043334641061 39.098 > 2 8 K 0.97297137040317 0.34869066268798 0.73043334641061 39.098 > 2 9 K 0.02702862959683 0.65130933731202 0.26956665358939 39.098 > 3 10 K 0.52702862959683 0.65130933731202 0.26956665358939 39.098 > 3 11 K 0.02702862959683 0.65130933731202 0.76956665358939 39.098 > 3 12 K 0.52702862959683 0.65130933731202 0.76956665358939 39.098 > 3 13 K 0.02702862959683 0.84869066268798 0.01956665358939 39.098 > 4 14 K 0.52702862959683 0.84869066268798 0.01956665358939 39.098 > 4 15 K 0.02702862959683 0.84869066268798 0.51956665358939 39.098 > 4 16 K 0.52702862959683 0.84869066268798 0.51956665358939 39.098 > 4 *17 Li 0.22018328937401 0.25476375119418 0.26930883520444 6.941 > 5 18 Li 0.72018328937401 0.25476375119418 0.26930883520444 6.941 > 5 19 Li 0.22018328937401 0.25476375119418 0.76930883520444 6.941 > 5 20 Li 0.72018328937401 0.25476375119418 0.76930883520444 6.941 > 5 21 Li 0.22018328937401 0.24523624880582 0.01930883520444 6.941 > 6 22 Li 0.72018328937401 0.24523624880582 0.01930883520444 6.941 > 6 23 Li 0.22018328937401 0.24523624880582 0.51930883520444 6.941 > 6 24 Li 0.72018328937401 0.24523624880582 0.51930883520444 6.941 > 6 25 Li 0.27981671062599 0.74523624880582 0.23069116479556 6.941 > 7 26 Li 0.77981671062599 0.74523624880582 0.23069116479556 6.941 > 7 27 Li 0.27981671062599 0.74523624880582 0.73069116479556 6.941 > 7 28 Li 0.77981671062599 0.74523624880582 0.73069116479556 6.941 > 7 29 Li 0.27981671062599 0.75476375119418 0.48069116479556 6.941 > 8 30 Li 0.77981671062599 0.75476375119418 0.48069116479556 6.941 > 8 31 Li 0.27981671062599 0.75476375119418 0.98069116479556 6.941 > 8 32 Li 0.77981671062599 0.75476375119418 0.98069116479556 6.941 > 8 *33 Y 0.15894233781131 0.00267407104379 0.33992380833504 88.906 > 9 34 Y 0.65894233781131 0.00267407104379 0.33992380833504 88.906 > 9 35 Y 0.15894233781131 0.00267407104379 0.83992380833504 88.906 > 9 36 Y 0.65894233781131 0.00267407104379 0.83992380833504 88.906 > 9 37 Y 0.34105766218869 0.99732592895621 0.16007619166496 88.906 > 10 38 Y 0.84105766218869 0.99732592895621 0.16007619166496 88.906 > 10 39 Y 0.34105766218869 0.99732592895621 0.66007619166496 88.906 > 10 40 Y 0.84105766218869 0.99732592895621 0.66007619166496 88.906 > 10 41 Y 0.15894233781131 0.49732592895621 0.08992380833504 88.906 > 11 42 Y 0.65894233781131 0.49732592895621 0.08992380833504 88.906 > 11 43 Y 0.15894233781131 0.49732592895621 0.58992380833504 88.906 > 11 44 Y 0.65894233781131 0.49732592895621 0.58992380833504 88.906 > 11 45 Y 0.34105766218869 0.50267407104379 0.41007619166496 88.906 > 12 46 Y 0.84105766218869 0.50267407104379 0.41007619166496 88.906 > 12 47 Y 0.34105766218869 0.50267407104379 0.91007619166496 88.906 > 12 48 Y 0.84105766218869 0.50267407104379 0.91007619166496 88.906 > 12 *49 F 0.35462071377828 0.32594839117003 0.35982034365195 18.998 > 13 50 F 0.85462071377828 0.32594839117003 0.35982034365195 18.998 > 13 51 F 0.35462071377828 0.32594839117003 0.85982034365195 18.998 > 13 52 F 0.85462071377828 0.32594839117003 0.85982034365195 18.998 > 13 *53 F 0.26863510739477 0.39507453516297 0.01818409447621 18.998 > 14 54 F 0.76863510739477 0.39507453516297 0.01818409447621 18.998 > 14 55 F 0.26863510739477 0.39507453516297 0.51818409447621 18.998 > 14 56 F 0.76863510739477 0.39507453516297 0.51818409447621 18.998 > 14 57 F 0.14537928622172 0.67405160882997 0.14017965634805 18.998 > 15 58 F 0.64537928622172 0.67405160882997 0.14017965634805 18.998 > 15 59 F 0.14537928622172 0.67405160882997 0.64017965634805 18.998 > 15 60 F 0.64537928622172 0.67405160882997 0.64017965634805 18.998 > 15 *61 F 0.47829181491190 0.99100159917311 0.33695377135747 18.998 > 16 62 F 0.97829181491190 0.99100159917311 0.33695377135747 18.998 > 16 63 F 0.47829181491190 0.99100159917311 0.83695377135747 18.998 > 16 64 F 0.97829181491190 0.99100159917311 0.83695377135747 18.998 > 16 65 F 0.14537928622172 0.82594839117003 0.39017965634805 18.998 > 17 66 F 0.64537928622172 0.82594839117003 0.39017965634805 18.998 > 17 67 F 0.14537928622172 0.82594839117003 0.89017965634805 18.998 > 17 68 F 0.64537928622172 0.82594839117003 0.89017965634805 18.998 > 17 69 F 0.23136489260523 0.60492546483703 0.48181590552379 18.998 > 18 70 F 0.73136489260523 0.60492546483703 0.48181590552379 18.998 > 18 71 F 0.23136489260523 0.60492546483703 0.98181590552379 18.998 > 18 72 F 0.73136489260523 0.60492546483703 0.98181590552379 18.998 > 18 73 F 0.26863510739477 0.10492546483703 0.26818409447621 18.998 > 19 74 F 0.76863510739477 0.10492546483703 0.26818409447621 18.998 > 19 75 F 0.26863510739477 0.10492546483703 0.76818409447621 18.998 > 19 76 F 0.76863510739477 0.10492546483703 0.76818409447621 18.998 > 19 *77 F 0.16769169579191 0.46740517988382 0.27403398572402 18.998 > 20 78 F 0.66769169579191 0.46740517988382 0.27403398572402 18.998 > 20 79 F 0.16769169579191 0.46740517988382 0.77403398572402 18.998 > 20 80 F 0.66769169579191 0.46740517988382 0.77403398572402 18.998 > 20 *81 F 0.13870806002662 0.19517432303245 0.36076531187593 18.998 > 21 82 F 0.63870806002662 0.19517432303245 0.36076531187593 18.998 > 21 83 F 0.13870806002662 0.19517432303245 0.86076531187593 18.998 > 21 84 F 0.63870806002662 0.19517432303245 0.86076531187593 18.998 > 21 85 F 0.36129193997338 0.69517432303245 0.38923468812407 18.998 > 22 86 F 0.86129193997338 0.69517432303245 0.38923468812407 18.998 > 22 87 F 0.36129193997338 0.69517432303245 0.88923468812407 18.998 > 22 88 F 0.86129193997338 0.69517432303245 0.88923468812407 18.998 > 22 89 F 0.33230830420809 0.53259482011618 0.22596601427598 18.998 > 23 90 F 0.83230830420809 0.53259482011618 0.22596601427598 18.998 > 23 91 F 0.33230830420809 0.53259482011618 0.72596601427598 18.998 > 23 92 F 0.83230830420809 0.53259482011618 0.72596601427598 18.998 > 23 93 F 0.02170818508810 0.00899840082689 0.16304622864253 18.998 > 24 94 F 0.52170818508810 0.00899840082689 0.16304622864253 18.998 > 24 95 F 0.02170818508810 0.00899840082689 0.66304622864253 18.998 > 24 96 F 0.52170818508810 0.00899840082689 0.66304622864253 18.998 > 24 97 F 0.36129193997338 0.80482567696755 0.13923468812407 18.998 > 25 98 F 0.86129193997338 0.80482567696755 0.13923468812407 18.998 > 25 99 F 0.36129193997338 0.80482567696755 0.63923468812407 18.998 > 25 100 F 0.86129193997338 0.80482567696755 0.63923468812407 18.998 > 25 101 F 0.02170818508810 0.49100159917311 0.41304622864253 18.998 > 26 102 F 0.52170818508810 0.49100159917311 0.41304622864253 18.998 > 26 103 F 0.02170818508810 0.49100159917311 0.91304622864253 18.998 > 26 104 F 0.52170818508810 0.49100159917311 0.91304622864253 18.998 > 26 105 F 0.16769169579191 0.03259482011618 0.02403398572402 18.998 > 27 106 F 0.66769169579191 0.03259482011618 0.02403398572402 18.998 > 27 107 F 0.16769169579191 0.03259482011618 0.52403398572402 18.998 > 27 108 F 0.66769169579191 0.03259482011618 0.52403398572402 18.998 > 27 109 F 0.13870806002662 0.30482567696755 0.11076531187593 18.998 > 28 110 F 0.63870806002662 0.30482567696755 0.11076531187593 18.998 > 28 111 F 0.13870806002662 0.30482567696755 0.61076531187593 18.998 > 28 112 F 0.63870806002662 0.30482567696755 0.61076531187593 18.998 > 28 113 F 0.33230830420809 0.96740517988382 0.47596601427598 18.998 > 29 114 F 0.83230830420809 0.96740517988382 0.47596601427598 18.998 > 29 115 F 0.33230830420809 0.96740517988382 0.97596601427598 18.998 > 29 116 F 0.83230830420809 0.96740517988382 0.97596601427598 18.998 > 29 117 F 0.35462071377828 0.17405160882997 0.10982034365195 18.998 > 30 118 F 0.85462071377828 0.17405160882997 0.10982034365195 18.998 > 30 119 F 0.35462071377828 0.17405160882997 0.60982034365195 18.998 > 30 120 F 0.85462071377828 0.17405160882997 0.60982034365195 18.998 > 30 121 F 0.23136489260523 0.89507453516297 0.23181590552379 18.998 > 31 122 F 0.73136489260523 0.89507453516297 0.23181590552379 18.998 > 31 123 F 0.23136489260523 0.89507453516297 0.73181590552379 18.998 > 31 124 F 0.73136489260523 0.89507453516297 0.73181590552379 18.998 > 31 125 F 0.47829181491190 0.50899840082689 0.08695377135747 18.998 > 32 126 F 0.97829181491190 0.50899840082689 0.08695377135747 18.998 > 32 127 F 0.47829181491190 0.50899840082689 0.58695377135747 18.998 > 32 128 F 0.97829181491190 0.50899840082689 0.58695377135747 18.998 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2458337 0.0000000 0.0037268 0.0000000 2.2105470 0.0000000 0.0037253 0.0000000 2.2570555 -------------------------- Born effective charges -------------------------- 1 K 1.2257097 -0.0279092 -0.0056129 -0.0154517 1.2295100 -0.0136825 -0.0209709 -0.0001400 1.1780341 2 K 1.2257097 0.0279092 -0.0056129 0.0154517 1.2295100 0.0136825 -0.0209709 0.0001400 1.1780341 3 K 1.2257097 0.0279092 -0.0056129 0.0154517 1.2295100 0.0136825 -0.0209709 0.0001400 1.1780341 4 K 1.2257097 -0.0279092 -0.0056129 -0.0154517 1.2295100 -0.0136825 -0.0209709 -0.0001400 1.1780341 5 Li 0.9231111 0.0206305 -0.0121125 0.0560107 1.1958464 -0.0581950 0.0066274 -0.0207566 0.9981775 6 Li 0.9231111 -0.0206305 -0.0121125 -0.0560107 1.1958464 0.0581950 0.0066274 0.0207566 0.9981775 7 Li 0.9231111 0.0206305 -0.0121125 0.0560107 1.1958464 -0.0581950 0.0066274 -0.0207566 0.9981775 8 Li 0.9231111 -0.0206305 -0.0121125 -0.0560107 1.1958464 0.0581950 0.0066274 0.0207566 0.9981775 9 Y 3.5925884 0.0184599 0.0663401 0.0110758 3.2151363 -0.0756275 0.0820940 -0.0569797 3.7113245 10 Y 3.5925884 0.0184599 0.0663401 0.0110758 3.2151363 -0.0756275 0.0820940 -0.0569797 3.7113245 11 Y 3.5925884 -0.0184599 0.0663401 -0.0110758 3.2151363 0.0756275 0.0820940 0.0569797 3.7113245 12 Y 3.5925884 -0.0184599 0.0663401 -0.0110758 3.2151363 0.0756275 0.0820940 0.0569797 3.7113245 13 F -0.9296488 0.1149371 0.0235655 0.1014467 -1.5148367 -0.1555603 -0.0067884 -0.1350781 -0.9322853 14 F -1.3354126 -0.0047151 0.3691571 0.0063881 -1.1027147 0.0589650 0.3788508 0.0795643 -1.0172087 15 F -0.9296488 0.1149371 0.0235655 0.1014467 -1.5148367 -0.1555603 -0.0067884 -0.1350781 -0.9322853 16 F -1.4318895 -0.0067694 -0.3114880 0.0125667 -0.7390514 0.0204907 -0.2980904 -0.0099966 -1.3895725 17 F -0.9296488 -0.1149371 0.0235655 -0.1014467 -1.5148367 0.1555603 -0.0067884 0.1350781 -0.9322853 18 F -1.3354126 -0.0047151 0.3691571 0.0063881 -1.1027147 0.0589650 0.3788508 0.0795643 -1.0172087 19 F -1.3354126 0.0047151 0.3691571 -0.0063881 -1.1027147 -0.0589650 0.3788508 -0.0795643 -1.0172087 20 F -1.1292822 -0.0798303 -0.1628628 -0.0664447 -0.8345377 0.0031330 -0.1816103 -0.0190053 -1.5896221 21 F -0.9151759 0.0721980 0.0330136 0.0652371 -1.4493521 -0.0304344 0.0398879 -0.0175231 -0.9588474 22 F -0.9151759 -0.0721980 0.0330136 -0.0652371 -1.4493521 0.0304344 0.0398879 0.0175231 -0.9588474 23 F -1.1292822 -0.0798303 -0.1628628 -0.0664447 -0.8345377 0.0031330 -0.1816103 -0.0190053 -1.5896221 24 F -1.4318895 -0.0067694 -0.3114880 0.0125667 -0.7390514 0.0204907 -0.2980904 -0.0099966 -1.3895725 25 F -0.9151759 0.0721980 0.0330136 0.0652371 -1.4493521 -0.0304344 0.0398879 -0.0175231 -0.9588474 26 F -1.4318895 0.0067694 -0.3114880 -0.0125667 -0.7390514 -0.0204907 -0.2980904 0.0099966 -1.3895725 27 F -1.1292822 0.0798303 -0.1628628 0.0664447 -0.8345377 -0.0031330 -0.1816103 0.0190053 -1.5896221 28 F -0.9151759 -0.0721980 0.0330136 -0.0652371 -1.4493521 0.0304344 0.0398879 0.0175231 -0.9588474 29 F -1.1292822 0.0798303 -0.1628628 0.0664447 -0.8345377 -0.0031330 -0.1816103 0.0190053 -1.5896221 30 F -0.9296488 -0.1149371 0.0235655 -0.1014467 -1.5148367 0.1555603 -0.0067884 0.1350781 -0.9322853 31 F -1.3354126 0.0047151 0.3691571 -0.0063881 -1.1027147 -0.0589650 0.3788508 -0.0795643 -1.0172087 32 F -1.4318895 0.0067694 -0.3114880 -0.0125667 -0.7390514 -0.0204907 -0.2980904 0.0099966 -1.3895725 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.593 Solver_block: 200 / 960 - Time: 1.453 Solver_block: 300 / 960 - Time: 1.396 Solver_block: 400 / 960 - Time: 1.327 Solver_block: 500 / 960 - Time: 1.260 Solver_block: 600 / 960 - Time: 1.240 Solver_block: 700 / 960 - Time: 1.688 Solver_block: 800 / 960 - Time: 1.324 Solver_block: 900 / 960 - Time: 2.518 Solver_block: 960 / 960 - Time: 1.833 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.145 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:30:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:30:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.443990100556649 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721091529999999 0.000000000000000 c -2.522211900091928 0.000000000000000 5.735674168466271 Atomic positions (fractional): 1 K 0.94594274080634 0.15130933731202 0.96086669282122 39.098 2 K 0.94594274080634 0.34869066268798 0.46086669282122 39.098 3 K 0.05405725919366 0.65130933731202 0.53913330717878 39.098 4 K 0.05405725919366 0.84869066268798 0.03913330717878 39.098 5 Li 0.44036657874803 0.25476375119418 0.53861767040888 6.941 6 Li 0.44036657874803 0.24523624880582 0.03861767040888 6.941 7 Li 0.55963342125197 0.74523624880582 0.46138232959112 6.941 8 Li 0.55963342125197 0.75476375119418 0.96138232959112 6.941 9 Y 0.31788467562261 0.00267407104379 0.67984761667008 88.906 10 Y 0.68211532437739 0.99732592895621 0.32015238332992 88.906 11 Y 0.31788467562261 0.49732592895621 0.17984761667008 88.906 12 Y 0.68211532437739 0.50267407104379 0.82015238332992 88.906 13 F 0.70924142755657 0.32594839117003 0.71964068730391 18.998 14 F 0.53727021478954 0.39507453516297 0.03636818895243 18.998 15 F 0.29075857244343 0.67405160882997 0.28035931269609 18.998 16 F 0.95658362982379 0.99100159917311 0.67390754271493 18.998 17 F 0.29075857244343 0.82594839117003 0.78035931269609 18.998 18 F 0.46272978521046 0.60492546483703 0.96363181104757 18.998 19 F 0.53727021478954 0.10492546483703 0.53636818895243 18.998 20 F 0.33538339158382 0.46740517988382 0.54806797144804 18.998 21 F 0.27741612005323 0.19517432303245 0.72153062375186 18.998 22 F 0.72258387994677 0.69517432303245 0.77846937624814 18.998 23 F 0.66461660841618 0.53259482011618 0.45193202855196 18.998 24 F 0.04341637017621 0.00899840082689 0.32609245728507 18.998 25 F 0.72258387994677 0.80482567696755 0.27846937624814 18.998 26 F 0.04341637017621 0.49100159917311 0.82609245728507 18.998 27 F 0.33538339158382 0.03259482011618 0.04806797144804 18.998 28 F 0.27741612005323 0.30482567696755 0.22153062375186 18.998 29 F 0.66461660841618 0.96740517988382 0.95193202855196 18.998 30 F 0.70924142755657 0.17405160882997 0.21964068730391 18.998 31 F 0.46272978521046 0.89507453516297 0.46363181104757 18.998 32 F 0.95658362982379 0.50899840082689 0.17390754271493 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.887980201113297 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721091529999999 0.000000000000000 c -5.044423800183856 0.000000000000000 11.471348336932541 Atomic positions (fractional): 1 K 0.47297137040317 0.15130933731202 0.48043334641061 39.098 > 1 2 K 0.97297137040317 0.15130933731202 0.48043334641061 39.098 > 1 3 K 0.47297137040317 0.15130933731202 0.98043334641061 39.098 > 1 4 K 0.97297137040317 0.15130933731202 0.98043334641061 39.098 > 1 5 K 0.47297137040317 0.34869066268798 0.23043334641061 39.098 > 5 6 K 0.97297137040317 0.34869066268798 0.23043334641061 39.098 > 5 7 K 0.47297137040317 0.34869066268798 0.73043334641061 39.098 > 5 8 K 0.97297137040317 0.34869066268798 0.73043334641061 39.098 > 5 9 K 0.02702862959683 0.65130933731202 0.26956665358939 39.098 > 9 10 K 0.52702862959683 0.65130933731202 0.26956665358939 39.098 > 9 11 K 0.02702862959683 0.65130933731202 0.76956665358939 39.098 > 9 12 K 0.52702862959683 0.65130933731202 0.76956665358939 39.098 > 9 13 K 0.02702862959683 0.84869066268798 0.01956665358939 39.098 > 13 14 K 0.52702862959683 0.84869066268798 0.01956665358939 39.098 > 13 15 K 0.02702862959683 0.84869066268798 0.51956665358939 39.098 > 13 16 K 0.52702862959683 0.84869066268798 0.51956665358939 39.098 > 13 17 Li 0.22018328937401 0.25476375119418 0.26930883520444 6.941 > 17 18 Li 0.72018328937401 0.25476375119418 0.26930883520444 6.941 > 17 19 Li 0.22018328937401 0.25476375119418 0.76930883520444 6.941 > 17 20 Li 0.72018328937401 0.25476375119418 0.76930883520444 6.941 > 17 21 Li 0.22018328937401 0.24523624880582 0.01930883520444 6.941 > 21 22 Li 0.72018328937401 0.24523624880582 0.01930883520444 6.941 > 21 23 Li 0.22018328937401 0.24523624880582 0.51930883520444 6.941 > 21 24 Li 0.72018328937401 0.24523624880582 0.51930883520444 6.941 > 21 25 Li 0.27981671062599 0.74523624880582 0.23069116479556 6.941 > 25 26 Li 0.77981671062599 0.74523624880582 0.23069116479556 6.941 > 25 27 Li 0.27981671062599 0.74523624880582 0.73069116479556 6.941 > 25 28 Li 0.77981671062599 0.74523624880582 0.73069116479556 6.941 > 25 29 Li 0.27981671062599 0.75476375119418 0.48069116479556 6.941 > 29 30 Li 0.77981671062599 0.75476375119418 0.48069116479556 6.941 > 29 31 Li 0.27981671062599 0.75476375119418 0.98069116479556 6.941 > 29 32 Li 0.77981671062599 0.75476375119418 0.98069116479556 6.941 > 29 33 Y 0.15894233781131 0.00267407104379 0.33992380833504 88.906 > 33 34 Y 0.65894233781131 0.00267407104379 0.33992380833504 88.906 > 33 35 Y 0.15894233781131 0.00267407104379 0.83992380833504 88.906 > 33 36 Y 0.65894233781131 0.00267407104379 0.83992380833504 88.906 > 33 37 Y 0.34105766218869 0.99732592895621 0.16007619166496 88.906 > 37 38 Y 0.84105766218869 0.99732592895621 0.16007619166496 88.906 > 37 39 Y 0.34105766218869 0.99732592895621 0.66007619166496 88.906 > 37 40 Y 0.84105766218869 0.99732592895621 0.66007619166496 88.906 > 37 41 Y 0.15894233781131 0.49732592895621 0.08992380833504 88.906 > 41 42 Y 0.65894233781131 0.49732592895621 0.08992380833504 88.906 > 41 43 Y 0.15894233781131 0.49732592895621 0.58992380833504 88.906 > 41 44 Y 0.65894233781131 0.49732592895621 0.58992380833504 88.906 > 41 45 Y 0.34105766218869 0.50267407104379 0.41007619166496 88.906 > 45 46 Y 0.84105766218869 0.50267407104379 0.41007619166496 88.906 > 45 47 Y 0.34105766218869 0.50267407104379 0.91007619166496 88.906 > 45 48 Y 0.84105766218869 0.50267407104379 0.91007619166496 88.906 > 45 49 F 0.35462071377828 0.32594839117003 0.35982034365195 18.998 > 49 50 F 0.85462071377828 0.32594839117003 0.35982034365195 18.998 > 49 51 F 0.35462071377828 0.32594839117003 0.85982034365195 18.998 > 49 52 F 0.85462071377828 0.32594839117003 0.85982034365195 18.998 > 49 53 F 0.26863510739477 0.39507453516297 0.01818409447621 18.998 > 53 54 F 0.76863510739477 0.39507453516297 0.01818409447621 18.998 > 53 55 F 0.26863510739477 0.39507453516297 0.51818409447621 18.998 > 53 56 F 0.76863510739477 0.39507453516297 0.51818409447621 18.998 > 53 57 F 0.14537928622172 0.67405160882997 0.14017965634805 18.998 > 57 58 F 0.64537928622172 0.67405160882997 0.14017965634805 18.998 > 57 59 F 0.14537928622172 0.67405160882997 0.64017965634805 18.998 > 57 60 F 0.64537928622172 0.67405160882997 0.64017965634805 18.998 > 57 61 F 0.47829181491190 0.99100159917311 0.33695377135747 18.998 > 61 62 F 0.97829181491190 0.99100159917311 0.33695377135747 18.998 > 61 63 F 0.47829181491190 0.99100159917311 0.83695377135747 18.998 > 61 64 F 0.97829181491190 0.99100159917311 0.83695377135747 18.998 > 61 65 F 0.14537928622172 0.82594839117003 0.39017965634805 18.998 > 65 66 F 0.64537928622172 0.82594839117003 0.39017965634805 18.998 > 65 67 F 0.14537928622172 0.82594839117003 0.89017965634805 18.998 > 65 68 F 0.64537928622172 0.82594839117003 0.89017965634805 18.998 > 65 69 F 0.23136489260523 0.60492546483703 0.48181590552379 18.998 > 69 70 F 0.73136489260523 0.60492546483703 0.48181590552379 18.998 > 69 71 F 0.23136489260523 0.60492546483703 0.98181590552379 18.998 > 69 72 F 0.73136489260523 0.60492546483703 0.98181590552379 18.998 > 69 73 F 0.26863510739477 0.10492546483703 0.26818409447621 18.998 > 73 74 F 0.76863510739477 0.10492546483703 0.26818409447621 18.998 > 73 75 F 0.26863510739477 0.10492546483703 0.76818409447621 18.998 > 73 76 F 0.76863510739477 0.10492546483703 0.76818409447621 18.998 > 73 77 F 0.16769169579191 0.46740517988382 0.27403398572402 18.998 > 77 78 F 0.66769169579191 0.46740517988382 0.27403398572402 18.998 > 77 79 F 0.16769169579191 0.46740517988382 0.77403398572402 18.998 > 77 80 F 0.66769169579191 0.46740517988382 0.77403398572402 18.998 > 77 81 F 0.13870806002662 0.19517432303245 0.36076531187593 18.998 > 81 82 F 0.63870806002662 0.19517432303245 0.36076531187593 18.998 > 81 83 F 0.13870806002662 0.19517432303245 0.86076531187593 18.998 > 81 84 F 0.63870806002662 0.19517432303245 0.86076531187593 18.998 > 81 85 F 0.36129193997338 0.69517432303245 0.38923468812407 18.998 > 85 86 F 0.86129193997338 0.69517432303245 0.38923468812407 18.998 > 85 87 F 0.36129193997338 0.69517432303245 0.88923468812407 18.998 > 85 88 F 0.86129193997338 0.69517432303245 0.88923468812407 18.998 > 85 89 F 0.33230830420809 0.53259482011618 0.22596601427598 18.998 > 89 90 F 0.83230830420809 0.53259482011618 0.22596601427598 18.998 > 89 91 F 0.33230830420809 0.53259482011618 0.72596601427598 18.998 > 89 92 F 0.83230830420809 0.53259482011618 0.72596601427598 18.998 > 89 93 F 0.02170818508810 0.00899840082689 0.16304622864253 18.998 > 93 94 F 0.52170818508810 0.00899840082689 0.16304622864253 18.998 > 93 95 F 0.02170818508810 0.00899840082689 0.66304622864253 18.998 > 93 96 F 0.52170818508810 0.00899840082689 0.66304622864253 18.998 > 93 97 F 0.36129193997338 0.80482567696755 0.13923468812407 18.998 > 97 98 F 0.86129193997338 0.80482567696755 0.13923468812407 18.998 > 97 99 F 0.36129193997338 0.80482567696755 0.63923468812407 18.998 > 97 100 F 0.86129193997338 0.80482567696755 0.63923468812407 18.998 > 97 101 F 0.02170818508810 0.49100159917311 0.41304622864253 18.998 > 101 102 F 0.52170818508810 0.49100159917311 0.41304622864253 18.998 > 101 103 F 0.02170818508810 0.49100159917311 0.91304622864253 18.998 > 101 104 F 0.52170818508810 0.49100159917311 0.91304622864253 18.998 > 101 105 F 0.16769169579191 0.03259482011618 0.02403398572402 18.998 > 105 106 F 0.66769169579191 0.03259482011618 0.02403398572402 18.998 > 105 107 F 0.16769169579191 0.03259482011618 0.52403398572402 18.998 > 105 108 F 0.66769169579191 0.03259482011618 0.52403398572402 18.998 > 105 109 F 0.13870806002662 0.30482567696755 0.11076531187593 18.998 > 109 110 F 0.63870806002662 0.30482567696755 0.11076531187593 18.998 > 109 111 F 0.13870806002662 0.30482567696755 0.61076531187593 18.998 > 109 112 F 0.63870806002662 0.30482567696755 0.61076531187593 18.998 > 109 113 F 0.33230830420809 0.96740517988382 0.47596601427598 18.998 > 113 114 F 0.83230830420809 0.96740517988382 0.47596601427598 18.998 > 113 115 F 0.33230830420809 0.96740517988382 0.97596601427598 18.998 > 113 116 F 0.83230830420809 0.96740517988382 0.97596601427598 18.998 > 113 117 F 0.35462071377828 0.17405160882997 0.10982034365195 18.998 > 117 118 F 0.85462071377828 0.17405160882997 0.10982034365195 18.998 > 117 119 F 0.35462071377828 0.17405160882997 0.60982034365195 18.998 > 117 120 F 0.85462071377828 0.17405160882997 0.60982034365195 18.998 > 117 121 F 0.23136489260523 0.89507453516297 0.23181590552379 18.998 > 121 122 F 0.73136489260523 0.89507453516297 0.23181590552379 18.998 > 121 123 F 0.23136489260523 0.89507453516297 0.73181590552379 18.998 > 121 124 F 0.73136489260523 0.89507453516297 0.73181590552379 18.998 > 121 125 F 0.47829181491190 0.50899840082689 0.08695377135747 18.998 > 125 126 F 0.97829181491190 0.50899840082689 0.08695377135747 18.998 > 125 127 F 0.47829181491190 0.50899840082689 0.58695377135747 18.998 > 125 128 F 0.97829181491190 0.50899840082689 0.58695377135747 18.998 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2458337 0.0000000 0.0037268 0.0000000 2.2105470 0.0000000 0.0037253 0.0000000 2.2570555 -------------------------- Born effective charges -------------------------- 1 K 1.2257097 -0.0279092 -0.0056129 -0.0154517 1.2295100 -0.0136825 -0.0209709 -0.0001400 1.1780341 2 K 1.2257097 0.0279092 -0.0056129 0.0154517 1.2295100 0.0136825 -0.0209709 0.0001400 1.1780341 3 K 1.2257097 0.0279092 -0.0056129 0.0154517 1.2295100 0.0136825 -0.0209709 0.0001400 1.1780341 4 K 1.2257097 -0.0279092 -0.0056129 -0.0154517 1.2295100 -0.0136825 -0.0209709 -0.0001400 1.1780341 5 Li 0.9231111 0.0206305 -0.0121125 0.0560107 1.1958464 -0.0581950 0.0066274 -0.0207566 0.9981775 6 Li 0.9231111 -0.0206305 -0.0121125 -0.0560107 1.1958464 0.0581950 0.0066274 0.0207566 0.9981775 7 Li 0.9231111 0.0206305 -0.0121125 0.0560107 1.1958464 -0.0581950 0.0066274 -0.0207566 0.9981775 8 Li 0.9231111 -0.0206305 -0.0121125 -0.0560107 1.1958464 0.0581950 0.0066274 0.0207566 0.9981775 9 Y 3.5925884 0.0184599 0.0663401 0.0110758 3.2151363 -0.0756275 0.0820940 -0.0569797 3.7113245 10 Y 3.5925884 0.0184599 0.0663401 0.0110758 3.2151363 -0.0756275 0.0820940 -0.0569797 3.7113245 11 Y 3.5925884 -0.0184599 0.0663401 -0.0110758 3.2151363 0.0756275 0.0820940 0.0569797 3.7113245 12 Y 3.5925884 -0.0184599 0.0663401 -0.0110758 3.2151363 0.0756275 0.0820940 0.0569797 3.7113245 13 F -0.9296488 0.1149371 0.0235655 0.1014467 -1.5148367 -0.1555603 -0.0067884 -0.1350781 -0.9322853 14 F -1.3354126 -0.0047151 0.3691571 0.0063881 -1.1027147 0.0589650 0.3788508 0.0795643 -1.0172087 15 F -0.9296488 0.1149371 0.0235655 0.1014467 -1.5148367 -0.1555603 -0.0067884 -0.1350781 -0.9322853 16 F -1.4318895 -0.0067694 -0.3114880 0.0125667 -0.7390514 0.0204907 -0.2980904 -0.0099966 -1.3895725 17 F -0.9296488 -0.1149371 0.0235655 -0.1014467 -1.5148367 0.1555603 -0.0067884 0.1350781 -0.9322853 18 F -1.3354126 -0.0047151 0.3691571 0.0063881 -1.1027147 0.0589650 0.3788508 0.0795643 -1.0172087 19 F -1.3354126 0.0047151 0.3691571 -0.0063881 -1.1027147 -0.0589650 0.3788508 -0.0795643 -1.0172087 20 F -1.1292822 -0.0798303 -0.1628628 -0.0664447 -0.8345377 0.0031330 -0.1816103 -0.0190053 -1.5896221 21 F -0.9151759 0.0721980 0.0330136 0.0652371 -1.4493521 -0.0304344 0.0398879 -0.0175231 -0.9588474 22 F -0.9151759 -0.0721980 0.0330136 -0.0652371 -1.4493521 0.0304344 0.0398879 0.0175231 -0.9588474 23 F -1.1292822 -0.0798303 -0.1628628 -0.0664447 -0.8345377 0.0031330 -0.1816103 -0.0190053 -1.5896221 24 F -1.4318895 -0.0067694 -0.3114880 0.0125667 -0.7390514 0.0204907 -0.2980904 -0.0099966 -1.3895725 25 F -0.9151759 0.0721980 0.0330136 0.0652371 -1.4493521 -0.0304344 0.0398879 -0.0175231 -0.9588474 26 F -1.4318895 0.0067694 -0.3114880 -0.0125667 -0.7390514 -0.0204907 -0.2980904 0.0099966 -1.3895725 27 F -1.1292822 0.0798303 -0.1628628 0.0664447 -0.8345377 -0.0031330 -0.1816103 0.0190053 -1.5896221 28 F -0.9151759 -0.0721980 0.0330136 -0.0652371 -1.4493521 0.0304344 0.0398879 0.0175231 -0.9588474 29 F -1.1292822 0.0798303 -0.1628628 0.0664447 -0.8345377 -0.0031330 -0.1816103 0.0190053 -1.5896221 30 F -0.9296488 -0.1149371 0.0235655 -0.1014467 -1.5148367 0.1555603 -0.0067884 0.1350781 -0.9322853 31 F -1.3354126 0.0047151 0.3691571 -0.0063881 -1.1027147 -0.0589650 0.3788508 -0.0795643 -1.0172087 32 F -1.4318895 0.0067694 -0.3114880 -0.0125667 -0.7390514 -0.0204907 -0.2980904 0.0099966 -1.3895725 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 61, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 77, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:31:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:31:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.443990100556649 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721091529999999 0.000000000000000 c -2.522211900091928 0.000000000000000 5.735674168466271 Atomic positions (fractional): 1 K 0.94594274080634 0.15130933731202 0.96086669282122 39.098 2 K 0.94594274080634 0.34869066268798 0.46086669282122 39.098 3 K 0.05405725919366 0.65130933731202 0.53913330717878 39.098 4 K 0.05405725919366 0.84869066268798 0.03913330717878 39.098 5 Li 0.44036657874803 0.25476375119418 0.53861767040888 6.941 6 Li 0.44036657874803 0.24523624880582 0.03861767040888 6.941 7 Li 0.55963342125197 0.74523624880582 0.46138232959112 6.941 8 Li 0.55963342125197 0.75476375119418 0.96138232959112 6.941 9 Y 0.31788467562261 0.00267407104379 0.67984761667008 88.906 10 Y 0.68211532437739 0.99732592895621 0.32015238332992 88.906 11 Y 0.31788467562261 0.49732592895621 0.17984761667008 88.906 12 Y 0.68211532437739 0.50267407104379 0.82015238332992 88.906 13 F 0.70924142755657 0.32594839117003 0.71964068730391 18.998 14 F 0.53727021478954 0.39507453516297 0.03636818895243 18.998 15 F 0.29075857244343 0.67405160882997 0.28035931269609 18.998 16 F 0.95658362982379 0.99100159917311 0.67390754271493 18.998 17 F 0.29075857244343 0.82594839117003 0.78035931269609 18.998 18 F 0.46272978521046 0.60492546483703 0.96363181104757 18.998 19 F 0.53727021478954 0.10492546483703 0.53636818895243 18.998 20 F 0.33538339158382 0.46740517988382 0.54806797144804 18.998 21 F 0.27741612005323 0.19517432303245 0.72153062375186 18.998 22 F 0.72258387994677 0.69517432303245 0.77846937624814 18.998 23 F 0.66461660841618 0.53259482011618 0.45193202855196 18.998 24 F 0.04341637017621 0.00899840082689 0.32609245728507 18.998 25 F 0.72258387994677 0.80482567696755 0.27846937624814 18.998 26 F 0.04341637017621 0.49100159917311 0.82609245728507 18.998 27 F 0.33538339158382 0.03259482011618 0.04806797144804 18.998 28 F 0.27741612005323 0.30482567696755 0.22153062375186 18.998 29 F 0.66461660841618 0.96740517988382 0.95193202855196 18.998 30 F 0.70924142755657 0.17405160882997 0.21964068730391 18.998 31 F 0.46272978521046 0.89507453516297 0.46363181104757 18.998 32 F 0.95658362982379 0.50899840082689 0.17390754271493 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.887980201113297 0.000000000000000 0.000000000000000 b 0.000000000000000 11.721091529999999 0.000000000000000 c -5.044423800183856 0.000000000000000 11.471348336932541 Atomic positions (fractional): 1 K 0.47297137040317 0.15130933731202 0.48043334641061 39.098 > 1 2 K 0.97297137040317 0.15130933731202 0.48043334641061 39.098 > 1 3 K 0.47297137040317 0.15130933731202 0.98043334641061 39.098 > 1 4 K 0.97297137040317 0.15130933731202 0.98043334641061 39.098 > 1 5 K 0.47297137040317 0.34869066268798 0.23043334641061 39.098 > 5 6 K 0.97297137040317 0.34869066268798 0.23043334641061 39.098 > 5 7 K 0.47297137040317 0.34869066268798 0.73043334641061 39.098 > 5 8 K 0.97297137040317 0.34869066268798 0.73043334641061 39.098 > 5 9 K 0.02702862959683 0.65130933731202 0.26956665358939 39.098 > 9 10 K 0.52702862959683 0.65130933731202 0.26956665358939 39.098 > 9 11 K 0.02702862959683 0.65130933731202 0.76956665358939 39.098 > 9 12 K 0.52702862959683 0.65130933731202 0.76956665358939 39.098 > 9 13 K 0.02702862959683 0.84869066268798 0.01956665358939 39.098 > 13 14 K 0.52702862959683 0.84869066268798 0.01956665358939 39.098 > 13 15 K 0.02702862959683 0.84869066268798 0.51956665358939 39.098 > 13 16 K 0.52702862959683 0.84869066268798 0.51956665358939 39.098 > 13 17 Li 0.22018328937401 0.25476375119418 0.26930883520444 6.941 > 17 18 Li 0.72018328937401 0.25476375119418 0.26930883520444 6.941 > 17 19 Li 0.22018328937401 0.25476375119418 0.76930883520444 6.941 > 17 20 Li 0.72018328937401 0.25476375119418 0.76930883520444 6.941 > 17 21 Li 0.22018328937401 0.24523624880582 0.01930883520444 6.941 > 21 22 Li 0.72018328937401 0.24523624880582 0.01930883520444 6.941 > 21 23 Li 0.22018328937401 0.24523624880582 0.51930883520444 6.941 > 21 24 Li 0.72018328937401 0.24523624880582 0.51930883520444 6.941 > 21 25 Li 0.27981671062599 0.74523624880582 0.23069116479556 6.941 > 25 26 Li 0.77981671062599 0.74523624880582 0.23069116479556 6.941 > 25 27 Li 0.27981671062599 0.74523624880582 0.73069116479556 6.941 > 25 28 Li 0.77981671062599 0.74523624880582 0.73069116479556 6.941 > 25 29 Li 0.27981671062599 0.75476375119418 0.48069116479556 6.941 > 29 30 Li 0.77981671062599 0.75476375119418 0.48069116479556 6.941 > 29 31 Li 0.27981671062599 0.75476375119418 0.98069116479556 6.941 > 29 32 Li 0.77981671062599 0.75476375119418 0.98069116479556 6.941 > 29 33 Y 0.15894233781131 0.00267407104379 0.33992380833504 88.906 > 33 34 Y 0.65894233781131 0.00267407104379 0.33992380833504 88.906 > 33 35 Y 0.15894233781131 0.00267407104379 0.83992380833504 88.906 > 33 36 Y 0.65894233781131 0.00267407104379 0.83992380833504 88.906 > 33 37 Y 0.34105766218869 0.99732592895621 0.16007619166496 88.906 > 37 38 Y 0.84105766218869 0.99732592895621 0.16007619166496 88.906 > 37 39 Y 0.34105766218869 0.99732592895621 0.66007619166496 88.906 > 37 40 Y 0.84105766218869 0.99732592895621 0.66007619166496 88.906 > 37 41 Y 0.15894233781131 0.49732592895621 0.08992380833504 88.906 > 41 42 Y 0.65894233781131 0.49732592895621 0.08992380833504 88.906 > 41 43 Y 0.15894233781131 0.49732592895621 0.58992380833504 88.906 > 41 44 Y 0.65894233781131 0.49732592895621 0.58992380833504 88.906 > 41 45 Y 0.34105766218869 0.50267407104379 0.41007619166496 88.906 > 45 46 Y 0.84105766218869 0.50267407104379 0.41007619166496 88.906 > 45 47 Y 0.34105766218869 0.50267407104379 0.91007619166496 88.906 > 45 48 Y 0.84105766218869 0.50267407104379 0.91007619166496 88.906 > 45 49 F 0.35462071377828 0.32594839117003 0.35982034365195 18.998 > 49 50 F 0.85462071377828 0.32594839117003 0.35982034365195 18.998 > 49 51 F 0.35462071377828 0.32594839117003 0.85982034365195 18.998 > 49 52 F 0.85462071377828 0.32594839117003 0.85982034365195 18.998 > 49 53 F 0.26863510739477 0.39507453516297 0.01818409447621 18.998 > 53 54 F 0.76863510739477 0.39507453516297 0.01818409447621 18.998 > 53 55 F 0.26863510739477 0.39507453516297 0.51818409447621 18.998 > 53 56 F 0.76863510739477 0.39507453516297 0.51818409447621 18.998 > 53 57 F 0.14537928622172 0.67405160882997 0.14017965634805 18.998 > 57 58 F 0.64537928622172 0.67405160882997 0.14017965634805 18.998 > 57 59 F 0.14537928622172 0.67405160882997 0.64017965634805 18.998 > 57 60 F 0.64537928622172 0.67405160882997 0.64017965634805 18.998 > 57 61 F 0.47829181491190 0.99100159917311 0.33695377135747 18.998 > 61 62 F 0.97829181491190 0.99100159917311 0.33695377135747 18.998 > 61 63 F 0.47829181491190 0.99100159917311 0.83695377135747 18.998 > 61 64 F 0.97829181491190 0.99100159917311 0.83695377135747 18.998 > 61 65 F 0.14537928622172 0.82594839117003 0.39017965634805 18.998 > 65 66 F 0.64537928622172 0.82594839117003 0.39017965634805 18.998 > 65 67 F 0.14537928622172 0.82594839117003 0.89017965634805 18.998 > 65 68 F 0.64537928622172 0.82594839117003 0.89017965634805 18.998 > 65 69 F 0.23136489260523 0.60492546483703 0.48181590552379 18.998 > 69 70 F 0.73136489260523 0.60492546483703 0.48181590552379 18.998 > 69 71 F 0.23136489260523 0.60492546483703 0.98181590552379 18.998 > 69 72 F 0.73136489260523 0.60492546483703 0.98181590552379 18.998 > 69 73 F 0.26863510739477 0.10492546483703 0.26818409447621 18.998 > 73 74 F 0.76863510739477 0.10492546483703 0.26818409447621 18.998 > 73 75 F 0.26863510739477 0.10492546483703 0.76818409447621 18.998 > 73 76 F 0.76863510739477 0.10492546483703 0.76818409447621 18.998 > 73 77 F 0.16769169579191 0.46740517988382 0.27403398572402 18.998 > 77 78 F 0.66769169579191 0.46740517988382 0.27403398572402 18.998 > 77 79 F 0.16769169579191 0.46740517988382 0.77403398572402 18.998 > 77 80 F 0.66769169579191 0.46740517988382 0.77403398572402 18.998 > 77 81 F 0.13870806002662 0.19517432303245 0.36076531187593 18.998 > 81 82 F 0.63870806002662 0.19517432303245 0.36076531187593 18.998 > 81 83 F 0.13870806002662 0.19517432303245 0.86076531187593 18.998 > 81 84 F 0.63870806002662 0.19517432303245 0.86076531187593 18.998 > 81 85 F 0.36129193997338 0.69517432303245 0.38923468812407 18.998 > 85 86 F 0.86129193997338 0.69517432303245 0.38923468812407 18.998 > 85 87 F 0.36129193997338 0.69517432303245 0.88923468812407 18.998 > 85 88 F 0.86129193997338 0.69517432303245 0.88923468812407 18.998 > 85 89 F 0.33230830420809 0.53259482011618 0.22596601427598 18.998 > 89 90 F 0.83230830420809 0.53259482011618 0.22596601427598 18.998 > 89 91 F 0.33230830420809 0.53259482011618 0.72596601427598 18.998 > 89 92 F 0.83230830420809 0.53259482011618 0.72596601427598 18.998 > 89 93 F 0.02170818508810 0.00899840082689 0.16304622864253 18.998 > 93 94 F 0.52170818508810 0.00899840082689 0.16304622864253 18.998 > 93 95 F 0.02170818508810 0.00899840082689 0.66304622864253 18.998 > 93 96 F 0.52170818508810 0.00899840082689 0.66304622864253 18.998 > 93 97 F 0.36129193997338 0.80482567696755 0.13923468812407 18.998 > 97 98 F 0.86129193997338 0.80482567696755 0.13923468812407 18.998 > 97 99 F 0.36129193997338 0.80482567696755 0.63923468812407 18.998 > 97 100 F 0.86129193997338 0.80482567696755 0.63923468812407 18.998 > 97 101 F 0.02170818508810 0.49100159917311 0.41304622864253 18.998 > 101 102 F 0.52170818508810 0.49100159917311 0.41304622864253 18.998 > 101 103 F 0.02170818508810 0.49100159917311 0.91304622864253 18.998 > 101 104 F 0.52170818508810 0.49100159917311 0.91304622864253 18.998 > 101 105 F 0.16769169579191 0.03259482011618 0.02403398572402 18.998 > 105 106 F 0.66769169579191 0.03259482011618 0.02403398572402 18.998 > 105 107 F 0.16769169579191 0.03259482011618 0.52403398572402 18.998 > 105 108 F 0.66769169579191 0.03259482011618 0.52403398572402 18.998 > 105 109 F 0.13870806002662 0.30482567696755 0.11076531187593 18.998 > 109 110 F 0.63870806002662 0.30482567696755 0.11076531187593 18.998 > 109 111 F 0.13870806002662 0.30482567696755 0.61076531187593 18.998 > 109 112 F 0.63870806002662 0.30482567696755 0.61076531187593 18.998 > 109 113 F 0.33230830420809 0.96740517988382 0.47596601427598 18.998 > 113 114 F 0.83230830420809 0.96740517988382 0.47596601427598 18.998 > 113 115 F 0.33230830420809 0.96740517988382 0.97596601427598 18.998 > 113 116 F 0.83230830420809 0.96740517988382 0.97596601427598 18.998 > 113 117 F 0.35462071377828 0.17405160882997 0.10982034365195 18.998 > 117 118 F 0.85462071377828 0.17405160882997 0.10982034365195 18.998 > 117 119 F 0.35462071377828 0.17405160882997 0.60982034365195 18.998 > 117 120 F 0.85462071377828 0.17405160882997 0.60982034365195 18.998 > 117 121 F 0.23136489260523 0.89507453516297 0.23181590552379 18.998 > 121 122 F 0.73136489260523 0.89507453516297 0.23181590552379 18.998 > 121 123 F 0.23136489260523 0.89507453516297 0.73181590552379 18.998 > 121 124 F 0.73136489260523 0.89507453516297 0.73181590552379 18.998 > 121 125 F 0.47829181491190 0.50899840082689 0.08695377135747 18.998 > 125 126 F 0.97829181491190 0.50899840082689 0.08695377135747 18.998 > 125 127 F 0.47829181491190 0.50899840082689 0.58695377135747 18.998 > 125 128 F 0.97829181491190 0.50899840082689 0.58695377135747 18.998 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2458337 0.0000000 0.0037268 0.0000000 2.2105470 0.0000000 0.0037253 0.0000000 2.2570555 -------------------------- Born effective charges -------------------------- 1 K 1.2257097 -0.0279092 -0.0056129 -0.0154517 1.2295100 -0.0136825 -0.0209709 -0.0001400 1.1780341 2 K 1.2257097 0.0279092 -0.0056129 0.0154517 1.2295100 0.0136825 -0.0209709 0.0001400 1.1780341 3 K 1.2257097 0.0279092 -0.0056129 0.0154517 1.2295100 0.0136825 -0.0209709 0.0001400 1.1780341 4 K 1.2257097 -0.0279092 -0.0056129 -0.0154517 1.2295100 -0.0136825 -0.0209709 -0.0001400 1.1780341 5 Li 0.9231111 0.0206305 -0.0121125 0.0560107 1.1958464 -0.0581950 0.0066274 -0.0207566 0.9981775 6 Li 0.9231111 -0.0206305 -0.0121125 -0.0560107 1.1958464 0.0581950 0.0066274 0.0207566 0.9981775 7 Li 0.9231111 0.0206305 -0.0121125 0.0560107 1.1958464 -0.0581950 0.0066274 -0.0207566 0.9981775 8 Li 0.9231111 -0.0206305 -0.0121125 -0.0560107 1.1958464 0.0581950 0.0066274 0.0207566 0.9981775 9 Y 3.5925884 0.0184599 0.0663401 0.0110758 3.2151363 -0.0756275 0.0820940 -0.0569797 3.7113245 10 Y 3.5925884 0.0184599 0.0663401 0.0110758 3.2151363 -0.0756275 0.0820940 -0.0569797 3.7113245 11 Y 3.5925884 -0.0184599 0.0663401 -0.0110758 3.2151363 0.0756275 0.0820940 0.0569797 3.7113245 12 Y 3.5925884 -0.0184599 0.0663401 -0.0110758 3.2151363 0.0756275 0.0820940 0.0569797 3.7113245 13 F -0.9296488 0.1149371 0.0235655 0.1014467 -1.5148367 -0.1555603 -0.0067884 -0.1350781 -0.9322853 14 F -1.3354126 -0.0047151 0.3691571 0.0063881 -1.1027147 0.0589650 0.3788508 0.0795643 -1.0172087 15 F -0.9296488 0.1149371 0.0235655 0.1014467 -1.5148367 -0.1555603 -0.0067884 -0.1350781 -0.9322853 16 F -1.4318895 -0.0067694 -0.3114880 0.0125667 -0.7390514 0.0204907 -0.2980904 -0.0099966 -1.3895725 17 F -0.9296488 -0.1149371 0.0235655 -0.1014467 -1.5148367 0.1555603 -0.0067884 0.1350781 -0.9322853 18 F -1.3354126 -0.0047151 0.3691571 0.0063881 -1.1027147 0.0589650 0.3788508 0.0795643 -1.0172087 19 F -1.3354126 0.0047151 0.3691571 -0.0063881 -1.1027147 -0.0589650 0.3788508 -0.0795643 -1.0172087 20 F -1.1292822 -0.0798303 -0.1628628 -0.0664447 -0.8345377 0.0031330 -0.1816103 -0.0190053 -1.5896221 21 F -0.9151759 0.0721980 0.0330136 0.0652371 -1.4493521 -0.0304344 0.0398879 -0.0175231 -0.9588474 22 F -0.9151759 -0.0721980 0.0330136 -0.0652371 -1.4493521 0.0304344 0.0398879 0.0175231 -0.9588474 23 F -1.1292822 -0.0798303 -0.1628628 -0.0664447 -0.8345377 0.0031330 -0.1816103 -0.0190053 -1.5896221 24 F -1.4318895 -0.0067694 -0.3114880 0.0125667 -0.7390514 0.0204907 -0.2980904 -0.0099966 -1.3895725 25 F -0.9151759 0.0721980 0.0330136 0.0652371 -1.4493521 -0.0304344 0.0398879 -0.0175231 -0.9588474 26 F -1.4318895 0.0067694 -0.3114880 -0.0125667 -0.7390514 -0.0204907 -0.2980904 0.0099966 -1.3895725 27 F -1.1292822 0.0798303 -0.1628628 0.0664447 -0.8345377 -0.0031330 -0.1816103 0.0190053 -1.5896221 28 F -0.9151759 -0.0721980 0.0330136 -0.0652371 -1.4493521 0.0304344 0.0398879 0.0175231 -0.9588474 29 F -1.1292822 0.0798303 -0.1628628 0.0664447 -0.8345377 -0.0031330 -0.1816103 0.0190053 -1.5896221 30 F -0.9296488 -0.1149371 0.0235655 -0.1014467 -1.5148367 0.1555603 -0.0067884 0.1350781 -0.9322853 31 F -1.3354126 0.0047151 0.3691571 -0.0063881 -1.1027147 -0.0589650 0.3788508 -0.0795643 -1.0172087 32 F -1.4318895 0.0067694 -0.3114880 -0.0125667 -0.7390514 -0.0204907 -0.2980904 0.0099966 -1.3895725 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 8 4 9 ] 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: 0.55, Number of G-points: 307, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/111) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.660 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.807 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.986 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.636 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 6.076 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.634 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 8.148 ( 0.000 0.000 0.000) 0.000 8.153 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.394 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 0.000 0.000) 0.000 8.673 ( 0.000 0.000 0.000) 0.000 8.794 ( 0.000 0.000 0.000) 0.000 8.848 ( 0.000 0.000 0.000) 0.000 9.029 ( 0.000 0.000 0.000) 0.000 9.224 ( 0.000 0.000 0.000) 0.000 9.258 ( 0.000 0.000 0.000) 0.000 9.612 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 9.883 ( 0.000 0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 10.127 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 10.370 ( 0.000 0.000 0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 10.686 ( 0.000 0.000 0.000) 0.000 10.789 ( 0.000 0.000 0.000) 0.000 10.890 ( 0.000 0.000 0.000) 0.000 11.033 ( 0.000 0.000 0.000) 0.000 11.052 ( 0.000 0.000 0.000) 0.000 11.784 ( 0.000 0.000 0.000) 0.000 11.923 ( 0.000 0.000 0.000) 0.000 12.125 ( 0.000 0.000 0.000) 0.000 12.770 ( 0.000 0.000 0.000) 0.000 12.778 ( 0.000 0.000 0.000) 0.000 12.946 ( 0.000 0.000 0.000) 0.000 12.984 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.271 ( 0.000 0.000 0.000) 0.000 13.788 ( 0.000 0.000 0.000) 0.000 14.080 ( 0.000 0.000 0.000) 0.000 14.338 ( 0.000 0.000 0.000) 0.000 14.344 ( 0.000 0.000 0.000) 0.000 14.953 ( 0.000 0.000 0.000) 0.000 15.007 ( 0.000 0.000 0.000) 0.000 15.355 ( 0.000 0.000 0.000) 0.000 16.835 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/111) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 24.122 0.000 9.171) 25.806 0.597 ( 29.163 0.000 2.465) 29.267 1.199 ( 44.683 0.000 34.975) 56.743 1.784 ( 12.173 0.000 -2.733) 12.476 2.243 ( 19.014 0.000 19.003) 26.882 2.300 ( -1.019 0.000 -8.009) 8.073 2.800 ( -5.468 0.000 6.184) 8.255 2.866 ( 2.524 0.000 2.712) 3.705 2.978 ( -16.969 0.000 -0.672) 16.982 3.043 ( -0.244 0.000 5.747) 5.752 3.353 ( -1.362 0.000 4.534) 4.734 3.447 ( -1.359 0.000 0.154) 1.367 3.449 ( 7.258 0.000 0.531) 7.277 3.507 ( 0.240 0.000 -0.981) 1.010 3.630 ( 11.995 0.000 -1.998) 12.161 3.762 ( 5.494 0.000 -12.169) 13.351 3.902 ( 1.782 0.000 -2.075) 2.735 3.936 ( -1.204 0.000 -1.537) 1.953 4.124 ( -7.772 0.000 -3.401) 8.484 4.136 ( -1.275 0.000 10.508) 10.585 4.274 ( -2.347 0.000 -2.344) 3.317 4.418 ( 4.138 0.000 -3.932) 5.708 4.524 ( 2.504 0.000 4.802) 5.416 4.667 ( -1.446 0.000 -5.408) 5.598 4.787 ( -0.949 0.000 1.828) 2.059 4.836 ( -6.143 0.000 8.733) 10.678 4.986 ( -1.136 0.000 3.496) 3.676 4.994 ( 3.955 0.000 4.989) 6.366 5.013 ( -3.638 0.000 1.068) 3.791 5.298 ( -7.168 0.000 8.378) 11.026 5.376 ( -10.147 0.000 0.626) 10.166 5.429 ( -2.644 0.000 6.805) 7.301 5.526 ( -2.005 0.000 0.468) 2.059 5.538 ( -1.213 0.000 -3.846) 4.033 5.630 ( 0.872 0.000 -0.023) 0.872 5.674 ( -6.215 0.000 -0.677) 6.252 5.760 ( 0.691 0.000 1.898) 2.020 5.928 ( 3.573 0.000 4.848) 6.023 5.975 ( -9.413 0.000 -0.330) 9.419 6.134 ( -4.737 0.000 -6.017) 7.658 6.178 ( 10.215 0.000 -8.064) 13.015 6.302 ( -4.853 0.000 1.306) 5.026 6.545 ( 1.187 0.000 -0.961) 1.527 6.546 ( 0.469 0.000 -3.054) 3.090 6.628 ( 0.729 0.000 -3.440) 3.516 6.935 ( 1.084 0.000 0.096) 1.088 7.070 ( -0.350 0.000 -1.588) 1.627 7.656 ( -3.674 0.000 3.862) 5.331 7.739 ( -0.374 0.000 -1.250) 1.305 7.852 ( 4.357 0.000 -2.813) 5.187 8.042 ( -0.695 0.000 -10.428) 10.451 8.111 ( -4.296 0.000 5.648) 7.096 8.177 ( 3.190 0.000 -6.071) 6.858 8.200 ( 13.811 0.000 -27.320) 30.612 8.278 ( 0.105 0.000 -2.434) 2.437 8.429 ( -6.226 0.000 4.989) 7.978 8.493 ( 4.700 0.000 1.153) 4.840 8.511 ( 3.053 0.000 6.819) 7.471 8.673 ( -1.505 0.000 2.669) 3.064 8.779 ( -0.825 0.000 -1.425) 1.646 9.000 ( 0.390 0.000 -5.327) 5.341 9.089 ( 1.455 0.000 -14.965) 15.035 9.200 ( 0.444 0.000 -5.374) 5.392 9.243 ( -1.542 0.000 0.233) 1.560 9.603 ( -1.471 0.000 1.624) 2.191 9.703 ( -6.649 0.000 -6.373) 9.210 9.829 ( 0.048 0.000 -0.701) 0.703 9.861 ( 3.002 0.000 -1.745) 3.473 10.014 ( -6.135 0.000 6.237) 8.749 10.191 ( 5.225 0.000 8.617) 10.077 10.272 ( 1.105 0.000 -0.965) 1.467 10.385 ( -0.251 0.000 3.429) 3.438 10.438 ( 6.552 0.000 2.305) 6.946 10.644 ( -2.725 0.000 6.001) 6.590 10.835 ( 1.675 0.000 2.226) 2.786 10.922 ( 3.411 0.000 1.164) 3.605 11.109 ( 3.639 0.000 5.205) 6.351 11.117 ( 6.423 0.000 4.602) 7.902 11.813 ( 2.751 0.000 0.708) 2.841 11.827 ( 1.096 0.000 -12.226) 12.275 12.122 ( 6.813 0.000 8.174) 10.641 12.135 ( 1.372 0.000 -1.531) 2.056 12.648 ( -8.382 0.000 -6.634) 10.690 12.773 ( 0.081 0.000 -1.014) 1.018 12.914 ( -1.072 0.000 -4.272) 4.405 12.975 ( -1.009 0.000 0.696) 1.225 13.258 ( -0.333 0.000 -2.371) 2.394 13.511 ( -2.851 0.000 4.815) 5.596 13.779 ( -6.268 0.000 2.006) 6.581 14.097 ( 1.295 0.000 -0.008) 1.295 14.333 ( 0.838 0.000 -2.559) 2.693 14.351 ( -1.249 0.000 3.688) 3.894 14.952 ( -0.524 0.000 1.044) 1.168 15.170 ( 10.868 0.000 7.681) 13.308 16.739 ( -8.204 0.000 -2.559) 8.594 16.912 ( -11.376 0.000 24.162) 26.706 ======================= Grid point 2 (3/111) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 23.228 0.000 9.313) 25.025 1.158 ( 25.738 0.000 2.819) 25.892 2.044 ( 16.700 0.000 -3.704) 17.106 2.082 ( 0.658 0.000 -4.255) 4.305 2.359 ( 31.543 0.000 25.892) 40.808 2.614 ( -17.688 0.000 -0.952) 17.714 2.818 ( 12.712 0.000 18.198) 22.198 2.861 ( 5.697 0.000 4.036) 6.982 3.009 ( 11.328 0.000 1.889) 11.484 3.042 ( -3.594 0.000 12.197) 12.715 3.393 ( -2.053 0.000 1.891) 2.792 3.413 ( 1.239 0.000 3.833) 4.028 3.510 ( 1.281 0.000 -2.063) 2.429 3.561 ( 0.886 0.000 2.615) 2.761 3.713 ( 0.439 0.000 -14.280) 14.287 3.741 ( 1.492 0.000 -1.797) 2.336 3.870 ( 2.360 0.000 -9.837) 10.116 3.940 ( 4.331 0.000 -3.519) 5.581 4.059 ( 0.390 0.000 1.878) 1.918 4.179 ( -1.805 0.000 6.800) 7.036 4.270 ( 2.511 0.000 3.051) 3.952 4.492 ( 6.652 0.000 -3.219) 7.390 4.591 ( 2.223 0.000 2.098) 3.056 4.610 ( -1.644 0.000 -2.826) 3.270 4.703 ( -15.051 0.000 10.248) 18.208 4.776 ( -0.460 0.000 -1.117) 1.207 4.883 ( -8.261 0.000 3.803) 9.094 4.998 ( -4.969 0.000 8.334) 9.703 5.151 ( 5.666 0.000 -0.280) 5.673 5.195 ( -6.078 0.000 -0.833) 6.135 5.236 ( -3.821 0.000 4.208) 5.684 5.363 ( -8.932 0.000 5.944) 10.729 5.472 ( -0.708 0.000 -4.549) 4.604 5.501 ( -7.319 0.000 -2.589) 7.763 5.518 ( -1.734 0.000 -0.895) 1.951 5.672 ( -11.111 0.000 4.274) 11.905 5.722 ( 1.166 0.000 -3.240) 3.443 5.823 ( 0.918 0.000 -0.317) 0.971 5.970 ( -3.803 0.000 -2.043) 4.317 6.026 ( 0.611 0.000 1.279) 1.417 6.177 ( -7.590 0.000 0.426) 7.602 6.361 ( 10.394 0.000 2.668) 10.731 6.513 ( 0.008 0.000 -5.493) 5.493 6.515 ( -1.987 0.000 -6.710) 6.998 6.631 ( 1.677 0.000 -1.728) 2.408 6.960 ( 0.206 0.000 3.154) 3.161 7.091 ( 3.890 0.000 -1.894) 4.326 7.561 ( -9.159 0.000 1.811) 9.336 7.713 ( -0.997 0.000 -1.442) 1.754 7.892 ( 2.408 0.000 -4.844) 5.409 7.947 ( 0.110 0.000 -8.621) 8.622 8.110 ( 0.560 0.000 2.621) 2.680 8.169 ( 0.494 0.000 -9.027) 9.040 8.221 ( 3.223 0.000 0.935) 3.356 8.299 ( 1.046 0.000 -4.474) 4.594 8.347 ( 0.837 0.000 -5.392) 5.457 8.509 ( 1.315 0.000 -7.519) 7.633 8.655 ( -3.170 0.000 4.054) 5.146 8.656 ( 2.322 0.000 9.695) 9.969 8.741 ( -1.464 0.000 -1.800) 2.320 8.974 ( -3.622 0.000 -5.399) 6.501 8.999 ( 4.306 0.000 -4.226) 6.033 9.184 ( 2.527 0.000 -3.502) 4.318 9.206 ( -2.543 0.000 0.716) 2.641 9.538 ( -6.507 0.000 -2.671) 7.034 9.587 ( -1.910 0.000 2.286) 2.979 9.826 ( 0.327 0.000 -1.008) 1.060 9.883 ( -3.325 0.000 3.426) 4.775 9.978 ( 1.751 0.000 -0.270) 1.772 10.268 ( -0.060 0.000 -2.305) 2.306 10.281 ( 1.495 0.000 1.814) 2.351 10.405 ( -0.802 0.000 2.923) 3.031 10.607 ( 5.741 0.000 2.425) 6.232 10.666 ( 0.406 0.000 3.542) 3.566 10.870 ( 0.213 0.000 2.018) 2.029 11.050 ( 6.451 0.000 3.273) 7.233 11.297 ( 8.336 0.000 12.315) 14.871 11.322 ( 9.752 0.000 3.856) 10.487 11.772 ( 1.661 0.000 -6.892) 7.089 11.902 ( 4.852 0.000 2.547) 5.480 12.130 ( 0.283 0.000 -4.618) 4.627 12.336 ( 6.221 0.000 9.579) 11.422 12.400 ( -9.116 0.000 -7.720) 11.946 12.772 ( 0.957 0.000 -1.091) 1.451 12.853 ( 0.601 0.000 -6.809) 6.835 12.964 ( -0.966 0.000 1.359) 1.667 13.215 ( -1.125 0.000 -4.254) 4.400 13.486 ( -4.650 0.000 4.864) 6.728 13.668 ( -5.952 0.000 1.037) 6.042 14.123 ( 1.838 0.000 -1.190) 2.189 14.329 ( 0.933 0.000 -2.322) 2.503 14.353 ( -1.714 0.000 3.544) 3.937 14.952 ( -0.558 0.000 1.530) 1.628 15.459 ( 10.388 0.000 7.654) 12.903 16.513 ( -11.277 0.000 -3.211) 11.725 16.892 ( -5.627 0.000 10.079) 11.543 ======================= Grid point 3 (4/111) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 19.742 0.000 8.272) 21.405 1.603 ( 16.159 0.000 2.024) 16.285 1.960 ( -0.340 0.000 -8.140) 8.147 2.285 ( -14.392 0.000 2.560) 14.618 2.323 ( 13.693 0.000 -4.068) 14.285 2.781 ( -14.106 0.000 3.579) 14.553 2.939 ( 3.725 0.000 6.150) 7.190 3.090 ( 4.460 0.000 4.730) 6.501 3.272 ( 23.416 0.000 12.667) 26.623 3.302 ( -2.266 0.000 -5.770) 6.200 3.418 ( 5.909 0.000 9.622) 11.292 3.472 ( -5.857 0.000 2.356) 6.313 3.560 ( 8.635 0.000 -0.960) 8.688 3.591 ( 3.636 0.000 -2.048) 4.173 3.625 ( 8.160 0.000 2.806) 8.629 3.826 ( 6.727 0.000 1.150) 6.825 3.841 ( -0.968 0.000 -1.637) 1.902 3.963 ( -0.004 0.000 -1.108) 1.108 4.093 ( 4.476 0.000 -5.300) 6.937 4.223 ( 2.336 0.000 1.801) 2.949 4.356 ( -0.274 0.000 4.065) 4.074 4.501 ( -10.907 0.000 6.348) 12.620 4.540 ( -4.359 0.000 0.933) 4.457 4.588 ( 3.866 0.000 -0.873) 3.963 4.702 ( 7.996 0.000 1.555) 8.145 4.704 ( -5.858 0.000 -2.275) 6.284 4.794 ( 0.668 0.000 -1.357) 1.513 4.872 ( -11.174 0.000 6.553) 12.954 5.168 ( -8.164 0.000 -2.871) 8.655 5.179 ( 1.643 0.000 2.050) 2.627 5.234 ( -3.106 0.000 3.411) 4.613 5.249 ( -4.306 0.000 -1.969) 4.735 5.267 ( -14.365 0.000 1.311) 14.425 5.283 ( -8.414 0.000 2.989) 8.929 5.526 ( 3.401 0.000 -5.629) 6.577 5.561 ( 4.452 0.000 -2.934) 5.332 5.752 ( 0.720 0.000 -3.968) 4.033 5.889 ( 1.335 0.000 7.620) 7.736 5.898 ( -2.912 0.000 1.577) 3.312 6.032 ( 0.951 0.000 -6.449) 6.518 6.089 ( -3.859 0.000 8.014) 8.895 6.364 ( -5.416 0.000 -8.879) 10.400 6.410 ( -1.632 0.000 -7.686) 7.857 6.647 ( 10.605 0.000 8.176) 13.391 6.650 ( 1.289 0.000 -0.992) 1.626 7.005 ( 0.262 0.000 6.117) 6.123 7.149 ( 3.458 0.000 -3.679) 5.049 7.346 ( -10.784 0.000 -4.113) 11.541 7.684 ( -0.763 0.000 -0.905) 1.184 7.875 ( 0.604 0.000 -4.233) 4.276 7.907 ( 1.537 0.000 -5.210) 5.432 8.098 ( -1.336 0.000 -4.883) 5.063 8.145 ( 0.107 0.000 2.080) 2.083 8.234 ( -4.745 0.000 4.532) 6.562 8.294 ( 2.302 0.000 2.289) 3.246 8.358 ( 5.261 0.000 -11.883) 12.995 8.471 ( 2.218 0.000 -7.246) 7.578 8.631 ( -2.899 0.000 4.632) 5.464 8.689 ( -0.900 0.000 -2.372) 2.537 8.744 ( -1.037 0.000 5.721) 5.814 8.881 ( -2.437 0.000 -1.980) 3.140 9.094 ( 7.173 0.000 -0.746) 7.212 9.165 ( -1.883 0.000 0.340) 1.913 9.244 ( 5.294 0.000 -1.704) 5.561 9.398 ( -6.737 0.000 -0.347) 6.746 9.565 ( -2.451 0.000 2.297) 3.359 9.821 ( -4.784 0.000 3.466) 5.908 9.825 ( 0.327 0.000 -0.736) 0.805 10.047 ( 4.216 0.000 -0.008) 4.216 10.232 ( -1.206 0.000 -2.962) 3.198 10.319 ( 1.401 0.000 1.066) 1.761 10.399 ( -1.516 0.000 1.086) 1.865 10.692 ( 2.429 0.000 0.329) 2.451 10.703 ( 0.519 0.000 2.335) 2.392 10.883 ( -0.314 0.000 1.368) 1.404 11.174 ( 3.869 0.000 1.371) 4.105 11.516 ( 7.349 0.000 -0.269) 7.354 11.592 ( 8.787 0.000 13.268) 15.914 11.784 ( 2.793 0.000 1.026) 2.975 12.029 ( 3.295 0.000 4.658) 5.706 12.056 ( -1.218 0.000 -8.556) 8.642 12.165 ( -7.859 0.000 -6.548) 10.230 12.498 ( 2.144 0.000 4.647) 5.117 12.787 ( 0.984 0.000 -0.642) 1.174 12.879 ( 8.005 0.000 -4.183) 9.032 12.962 ( -0.533 0.000 1.408) 1.506 13.154 ( -1.043 0.000 -4.090) 4.221 13.374 ( -10.986 0.000 4.665) 11.936 13.601 ( -1.109 0.000 -0.527) 1.228 14.145 ( 1.305 0.000 -1.001) 1.644 14.329 ( 1.210 0.000 -2.449) 2.731 14.346 ( -1.854 0.000 3.103) 3.615 14.956 ( -0.221 0.000 1.055) 1.078 15.668 ( 5.596 0.000 4.233) 7.017 16.294 ( -7.884 0.000 -1.975) 8.128 16.870 ( -2.792 0.000 4.178) 5.025 ======================= Grid point 4 (5/111) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 0.000 0.000) 0.000 1.876 ( 0.000 0.000 0.000) 0.000 1.949 ( -0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.420 ( -0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 -0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 -0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.465 ( -0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 -0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.808 ( -0.000 0.000 -0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 -0.000) 0.000 4.013 ( -0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.414 ( -0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.627 ( -0.000 0.000 0.000) 0.000 4.728 ( -0.000 0.000 -0.000) 0.000 4.738 ( 0.000 0.000 -0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 4.943 ( -0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 -0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.289 ( 0.000 0.000 0.000) 0.000 5.536 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 -0.000) 0.000 5.948 ( 0.000 0.000 -0.000) 0.000 6.041 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 -0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.844 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.158 ( 0.000 0.000 -0.000) 0.000 7.168 ( -0.000 0.000 -0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 7.862 ( 0.000 0.000 -0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.330 ( 0.000 0.000 -0.000) 0.000 8.353 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.623 ( -0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 -0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.211 ( 0.000 0.000 0.000) 0.000 9.289 ( 0.000 0.000 0.000) 0.000 9.305 ( 0.000 0.000 -0.000) 0.000 9.543 ( 0.000 0.000 -0.000) 0.000 9.785 ( 0.000 0.000 -0.000) 0.000 9.825 ( 0.000 0.000 0.000) 0.000 10.104 ( -0.000 0.000 0.000) 0.000 10.193 ( 0.000 0.000 0.000) 0.000 10.347 ( 0.000 0.000 0.000) 0.000 10.379 ( 0.000 0.000 0.000) 0.000 10.716 ( 0.000 0.000 0.000) 0.000 10.719 ( 0.000 0.000 0.000) 0.000 10.885 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 -0.000) 0.000 11.581 ( 0.000 0.000 -0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 11.864 ( 0.000 0.000 0.000) 0.000 11.943 ( 0.000 0.000 0.000) 0.000 12.019 ( 0.000 0.000 0.000) 0.000 12.105 ( 0.000 0.000 0.000) 0.000 12.526 ( 0.000 0.000 0.000) 0.000 12.793 ( 0.000 0.000 0.000) 0.000 12.964 ( 0.000 0.000 0.000) 0.000 13.004 ( 0.000 0.000 0.000) 0.000 13.123 ( 0.000 0.000 0.000) 0.000 13.230 ( 0.000 0.000 0.000) 0.000 13.592 ( 0.000 0.000 0.000) 0.000 14.153 ( 0.000 0.000 0.000) 0.000 14.332 ( 0.000 0.000 0.000) 0.000 14.339 ( 0.000 0.000 -0.000) 0.000 14.959 ( 0.000 0.000 0.000) 0.000 15.741 ( 0.000 0.000 0.000) 0.000 16.205 ( 0.000 0.000 0.000) 0.000 16.860 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/111) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 25.658 0.000) 25.658 0.581 ( 0.000 26.786 0.000) 26.786 1.013 ( 0.000 45.718 0.000) 45.718 1.490 ( 0.000 -14.983 0.000) 14.983 1.638 ( 0.000 -21.563 0.000) 21.563 2.551 ( 0.000 12.383 0.000) 12.383 2.604 ( 0.000 -24.204 0.000) 24.204 2.832 ( 0.000 -1.218 0.000) 1.218 3.127 ( 0.000 1.697 0.000) 1.697 3.289 ( 0.000 7.468 0.000) 7.468 3.324 ( 0.000 -4.353 0.000) 4.353 3.382 ( 0.000 -0.124 0.000) 0.124 3.448 ( 0.000 0.215 0.000) 0.215 3.454 ( 0.000 3.839 0.000) 3.839 3.554 ( 0.000 8.557 0.000) 8.557 3.726 ( 0.000 -1.842 0.000) 1.842 3.876 ( 0.000 -1.588 0.000) 1.588 3.950 ( 0.000 -1.146 0.000) 1.146 4.130 ( 0.000 2.090 0.000) 2.090 4.217 ( 0.000 -4.302 0.000) 4.302 4.340 ( 0.000 -8.778 0.000) 8.778 4.341 ( 0.000 -0.374 0.000) 0.374 4.494 ( 0.000 -3.744 0.000) 3.744 4.681 ( 0.000 -0.767 0.000) 0.767 4.713 ( 0.000 -9.330 0.000) 9.330 4.898 ( 0.000 3.138 0.000) 3.138 4.911 ( 0.000 8.813 0.000) 8.813 4.973 ( 0.000 2.632 0.000) 2.632 4.986 ( 0.000 -8.715 0.000) 8.715 5.183 ( 0.000 12.334 0.000) 12.334 5.341 ( 0.000 -4.959 0.000) 4.959 5.486 ( 0.000 0.781 0.000) 0.781 5.544 ( 0.000 1.498 0.000) 1.498 5.576 ( 0.000 -4.264 0.000) 4.264 5.670 ( 0.000 0.733 0.000) 0.733 5.693 ( 0.000 -0.789 0.000) 0.789 5.797 ( 0.000 2.232 0.000) 2.232 5.879 ( 0.000 3.839 0.000) 3.839 5.924 ( 0.000 5.351 0.000) 5.351 6.117 ( 0.000 2.828 0.000) 2.828 6.248 ( 0.000 1.822 0.000) 1.822 6.319 ( 0.000 -6.713 0.000) 6.713 6.540 ( 0.000 -0.609 0.000) 0.609 6.574 ( 0.000 -4.552 0.000) 4.552 6.696 ( 0.000 7.239 0.000) 7.239 7.029 ( 0.000 -5.853 0.000) 5.853 7.069 ( 0.000 4.883 0.000) 4.883 7.496 ( 0.000 -11.835 0.000) 11.835 7.813 ( 0.000 7.583 0.000) 7.583 7.856 ( 0.000 0.142 0.000) 0.142 7.874 ( 0.000 -0.572 0.000) 0.572 8.149 ( 0.000 -0.315 0.000) 0.315 8.207 ( 0.000 -6.001 0.000) 6.001 8.211 ( 0.000 1.883 0.000) 1.883 8.350 ( 0.000 1.376 0.000) 1.376 8.365 ( 0.000 -0.204 0.000) 0.204 8.472 ( 0.000 5.461 0.000) 5.461 8.604 ( 0.000 0.630 0.000) 0.630 8.694 ( 0.000 1.254 0.000) 1.254 8.833 ( 0.000 -3.204 0.000) 3.204 8.902 ( 0.000 6.090 0.000) 6.090 9.059 ( 0.000 2.584 0.000) 2.584 9.194 ( 0.000 -2.747 0.000) 2.747 9.464 ( 0.000 -15.644 0.000) 15.644 9.699 ( 0.000 -1.330 0.000) 1.330 9.777 ( 0.000 -3.085 0.000) 3.085 9.915 ( 0.000 1.260 0.000) 1.260 9.949 ( 0.000 -0.301 0.000) 0.301 10.066 ( 0.000 -0.830 0.000) 0.830 10.074 ( 0.000 -1.209 0.000) 1.209 10.212 ( 0.000 9.998 0.000) 9.998 10.428 ( 0.000 2.687 0.000) 2.687 10.433 ( 0.000 5.770 0.000) 5.770 10.465 ( 0.000 6.708 0.000) 6.708 10.680 ( 0.000 -0.325 0.000) 0.325 10.808 ( 0.000 1.856 0.000) 1.856 10.963 ( 0.000 -5.613 0.000) 5.613 11.037 ( 0.000 -1.583 0.000) 1.583 11.678 ( 0.000 -8.031 0.000) 8.031 11.714 ( 0.000 -5.722 0.000) 5.722 12.160 ( 0.000 12.599 0.000) 12.599 12.455 ( 0.000 4.762 0.000) 4.762 12.659 ( 0.000 -7.249 0.000) 7.249 12.718 ( 0.000 -8.934 0.000) 8.934 12.889 ( 0.000 1.835 0.000) 1.835 12.942 ( 0.000 -0.346 0.000) 0.346 13.208 ( 0.000 9.601 0.000) 9.601 13.474 ( 0.000 -2.825 0.000) 2.825 13.814 ( 0.000 2.583 0.000) 2.583 14.020 ( 0.000 -5.024 0.000) 5.024 14.388 ( 0.000 4.390 0.000) 4.390 14.620 ( 0.000 -4.449 0.000) 4.449 15.079 ( 0.000 5.764 0.000) 5.764 15.317 ( 0.000 -3.503 0.000) 3.503 16.781 ( 0.000 0.772 0.000) 0.772 16.825 ( 0.000 -0.861 0.000) 0.861 ======================= Grid point 10 (7/111) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 13.894 19.222 7.769) 24.958 0.900 ( 19.867 20.084 4.245) 28.567 1.508 ( 32.745 23.363 22.466) 46.074 1.614 ( 12.252 -13.554 -0.728) 18.285 1.839 ( 12.335 -20.422 6.985) 24.859 2.541 ( 3.992 -1.346 5.421) 6.866 2.704 ( 5.614 -2.312 5.252) 8.028 2.867 ( 2.486 -0.548 3.350) 4.207 3.031 ( -11.804 4.678 0.637) 12.713 3.151 ( -6.723 5.525 1.593) 8.846 3.383 ( 1.197 -0.955 1.169) 1.926 3.401 ( -0.440 2.211 3.848) 4.460 3.457 ( 2.570 -0.434 2.395) 3.539 3.523 ( 2.792 0.917 0.530) 2.986 3.611 ( 3.715 1.844 -0.704) 4.207 3.743 ( 4.248 -1.783 -6.348) 7.844 3.894 ( -1.829 -3.723 -4.792) 6.338 3.926 ( 2.956 -0.364 -1.396) 3.289 4.097 ( -3.068 -1.021 -2.103) 3.858 4.181 ( 0.389 2.584 5.982) 6.528 4.308 ( -1.984 1.954 -0.467) 2.824 4.423 ( 0.864 -7.874 2.069) 8.187 4.499 ( 4.106 3.256 -2.072) 5.635 4.644 ( -0.910 -0.949 -2.215) 2.576 4.720 ( -4.752 -4.392 3.811) 7.509 4.809 ( -4.184 -0.204 3.661) 5.563 4.914 ( -5.541 -8.217 0.827) 9.945 4.924 ( 1.885 -0.962 0.681) 2.223 5.078 ( 2.519 -0.540 -2.286) 3.444 5.227 ( -2.209 4.490 6.311) 8.054 5.348 ( -3.955 -5.014 4.851) 8.020 5.381 ( -5.262 -2.332 -3.058) 6.518 5.498 ( -4.957 0.844 3.083) 5.898 5.639 ( 0.195 0.909 9.875) 9.919 5.655 ( -0.201 3.935 -1.403) 4.182 5.720 ( 1.523 -1.172 -0.514) 1.989 5.748 ( -3.826 6.286 -1.683) 7.549 5.917 ( -2.464 0.303 -1.077) 2.706 5.979 ( 3.542 0.104 3.433) 4.934 6.079 ( 0.385 0.209 -6.240) 6.255 6.225 ( -1.076 1.251 -0.270) 1.672 6.294 ( -1.536 -3.425 -0.818) 3.842 6.527 ( 0.216 -1.129 -3.197) 3.397 6.559 ( 0.414 -3.713 -4.702) 6.006 6.673 ( -0.893 8.384 -0.819) 8.471 6.978 ( -1.273 -1.242 -4.023) 4.398 7.062 ( -0.214 2.796 1.404) 3.136 7.500 ( -0.717 -13.343 0.479) 13.371 7.746 ( -4.034 3.041 -0.448) 5.072 7.864 ( 2.928 -2.512 -5.751) 6.925 7.931 ( 5.962 0.011 -7.875) 9.877 8.096 ( -3.300 -0.413 -1.158) 3.521 8.167 ( -1.225 -0.358 0.316) 1.315 8.225 ( 2.845 -1.989 -4.093) 5.367 8.336 ( -0.924 7.292 -9.078) 11.681 8.400 ( 0.018 0.514 6.718) 6.738 8.482 ( 2.218 -1.484 7.511) 7.971 8.595 ( -1.506 0.597 1.020) 1.915 8.730 ( 1.613 5.023 -0.372) 5.289 8.799 ( -0.932 -0.168 -1.335) 1.637 8.952 ( 1.062 -1.478 -1.306) 2.240 9.023 ( -0.183 1.814 -5.795) 6.075 9.174 ( 0.586 -2.030 -4.676) 5.132 9.400 ( -0.686 -4.641 -11.729) 12.632 9.638 ( -5.277 2.432 -6.134) 8.449 9.730 ( -0.075 -5.612 1.866) 5.915 9.752 ( -6.377 1.899 -2.966) 7.284 9.824 ( 0.061 0.686 -0.664) 0.957 10.120 ( 0.066 5.251 3.281) 6.192 10.234 ( 0.619 5.028 5.256) 7.300 10.293 ( 1.520 -1.646 2.069) 3.050 10.375 ( -0.144 -0.419 1.064) 1.152 10.486 ( 4.456 5.549 0.200) 7.120 10.614 ( -0.933 -2.668 8.512) 8.969 10.740 ( 6.412 0.989 8.776) 10.914 10.926 ( 8.421 1.732 0.262) 8.601 11.070 ( 4.045 -2.359 4.069) 6.204 11.100 ( 6.685 -2.993 7.463) 10.457 11.751 ( 3.578 -5.002 0.592) 6.179 11.843 ( 10.018 -13.076 8.878) 18.712 12.106 ( -2.600 16.519 -8.723) 18.861 12.305 ( -3.602 7.192 -4.711) 9.322 12.582 ( -7.283 -4.852 -4.892) 10.026 12.730 ( 0.151 -11.132 2.013) 11.314 12.839 ( -2.732 -0.387 -2.139) 3.491 12.882 ( -2.928 -2.231 -2.475) 4.436 13.261 ( 4.376 4.905 -6.303) 9.107 13.484 ( -0.760 -3.932 1.959) 4.458 13.743 ( -3.582 2.812 -2.769) 5.330 13.975 ( -4.823 -5.556 4.347) 8.546 14.399 ( -0.540 4.906 2.485) 5.526 14.616 ( -0.361 -0.170 0.815) 0.908 15.183 ( 1.386 13.682 0.227) 13.754 15.278 ( 6.507 8.481 2.252) 10.925 16.713 ( -9.394 -2.243 -0.811) 9.692 16.759 ( -7.595 -7.496 12.441) 16.391 ======================= Grid point 11 (8/111) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 17.681 9.014 8.537) 21.604 1.339 ( 22.172 12.782 1.274) 25.624 1.839 ( 7.926 -15.809 -0.539) 17.693 1.960 ( 10.432 -11.721 -4.767) 16.399 2.466 ( 33.242 9.269 22.644) 41.276 2.715 ( -17.062 8.658 0.351) 19.136 2.807 ( 7.488 -2.039 9.134) 11.986 2.947 ( 10.194 5.286 10.600) 15.628 3.002 ( -0.111 -2.527 -1.135) 2.773 3.086 ( 6.361 3.093 15.317) 16.871 3.379 ( -0.431 0.691 -2.410) 2.544 3.437 ( -0.760 1.690 5.448) 5.755 3.495 ( -0.137 -0.579 1.495) 1.609 3.580 ( 0.682 2.201 -0.906) 2.476 3.632 ( 3.449 -2.310 -0.760) 4.220 3.791 ( 6.444 -1.266 -8.714) 10.911 3.872 ( -1.319 -1.682 -1.782) 2.782 3.942 ( 5.803 0.710 -7.772) 9.725 4.074 ( 0.610 2.577 1.731) 3.164 4.204 ( -2.856 0.822 5.548) 6.294 4.302 ( 0.403 2.186 2.893) 3.648 4.444 ( 1.865 -5.637 -1.049) 6.030 4.561 ( 2.052 0.382 -0.447) 2.134 4.618 ( -2.007 3.198 0.620) 3.826 4.661 ( -4.990 -4.083 3.604) 7.386 4.732 ( -6.586 -3.563 6.002) 9.597 4.814 ( -5.251 -6.126 2.277) 8.384 4.947 ( 1.517 -7.449 -2.732) 8.078 5.050 ( -2.679 -0.953 -3.133) 4.231 5.183 ( -8.258 -0.400 0.777) 8.305 5.252 ( -1.867 0.206 4.508) 4.884 5.327 ( -3.150 -7.181 0.643) 7.868 5.426 ( -6.755 4.828 5.605) 10.017 5.604 ( -8.349 3.132 0.811) 8.954 5.640 ( -7.798 -0.964 1.822) 8.066 5.668 ( 0.015 9.587 -2.046) 9.802 5.737 ( 2.453 0.091 -4.080) 4.761 5.837 ( -0.223 3.032 1.595) 3.433 5.995 ( -4.717 -0.392 -1.145) 4.870 6.048 ( 1.319 0.477 1.332) 1.934 6.180 ( -4.919 1.575 1.432) 5.360 6.324 ( 3.581 -4.455 -1.840) 6.005 6.500 ( 1.788 -0.143 -4.147) 4.519 6.527 ( 1.401 -0.604 -5.665) 5.867 6.665 ( 0.537 5.549 -0.542) 5.601 6.949 ( -0.909 -1.856 1.833) 2.762 7.094 ( 3.156 1.149 -1.249) 3.584 7.445 ( -5.539 -11.942 -0.133) 13.165 7.652 ( -3.811 -0.530 -2.804) 4.761 7.849 ( 1.886 -10.553 -9.453) 14.293 7.956 ( 2.054 3.229 -3.918) 5.477 8.058 ( 0.948 1.522 -2.409) 3.003 8.172 ( -0.305 -0.939 3.574) 3.708 8.230 ( -1.474 7.697 -2.310) 8.170 8.277 ( 4.265 -2.015 -7.436) 8.806 8.460 ( 2.759 4.196 -0.416) 5.039 8.525 ( -0.314 0.878 -7.613) 7.670 8.584 ( -1.494 -3.740 7.400) 8.425 8.749 ( -1.705 2.986 2.988) 4.555 8.776 ( -1.771 1.601 3.757) 4.451 8.914 ( -0.401 -1.036 -4.478) 4.613 9.001 ( 2.999 -0.169 -4.474) 5.389 9.152 ( 0.921 -0.085 -3.884) 3.992 9.298 ( -1.966 1.571 -4.451) 5.114 9.495 ( -5.619 -1.289 -3.319) 6.652 9.654 ( -3.580 0.376 1.464) 3.886 9.756 ( 0.026 -5.167 2.190) 5.612 9.840 ( 2.110 -0.708 -2.064) 3.035 10.107 ( -2.383 8.885 3.490) 9.839 10.261 ( -0.109 1.301 -0.957) 1.618 10.306 ( 0.814 0.675 0.414) 1.136 10.397 ( -0.203 -1.512 1.811) 2.367 10.565 ( 3.232 -0.827 0.004) 3.336 10.654 ( 0.464 -1.740 4.189) 4.560 10.923 ( 3.779 5.217 4.767) 8.014 11.081 ( 5.641 1.699 2.078) 6.247 11.257 ( 10.252 -0.546 9.801) 14.194 11.333 ( 8.834 -0.779 8.687) 12.414 11.859 ( 5.712 -2.118 2.777) 6.695 11.963 ( -0.770 11.514 -7.879) 13.973 12.119 ( 6.437 -3.849 4.546) 8.770 12.286 ( 2.746 -1.011 1.430) 3.257 12.362 ( -8.291 -2.768 -5.723) 10.448 12.750 ( 0.654 -8.152 0.817) 8.219 12.763 ( -2.113 -3.083 -4.712) 6.015 12.819 ( -2.003 -6.405 -0.198) 6.714 13.246 ( 0.981 3.749 -8.336) 9.193 13.450 ( -4.291 -5.059 1.240) 6.749 13.676 ( -1.714 4.031 -0.558) 4.416 13.935 ( -2.842 -7.056 3.549) 8.394 14.404 ( -0.963 5.402 2.315) 5.956 14.624 ( 0.164 2.820 1.039) 3.010 15.133 ( -2.022 21.011 -2.055) 21.208 15.547 ( 11.567 5.706 6.509) 14.447 16.468 ( -12.955 -3.141 -2.374) 13.540 16.732 ( -4.996 -12.735 9.020) 16.385 ======================= Grid point 12 (9/111) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 14.967 0.864 7.255) 16.655 1.710 ( 11.660 4.273 -0.262) 12.422 1.907 ( 8.844 -3.132 -3.016) 9.855 2.224 ( 15.251 -8.541 -3.326) 17.794 2.393 ( -14.963 8.816 1.641) 17.444 2.753 ( -14.054 -3.802 0.271) 14.562 2.878 ( 0.059 -1.656 5.481) 5.725 3.056 ( 7.325 -4.170 0.284) 8.433 3.310 ( 6.010 3.751 4.442) 8.362 3.379 ( 5.083 3.679 6.128) 8.771 3.424 ( 1.510 0.137 2.899) 3.271 3.477 ( 3.064 -0.449 0.351) 3.117 3.567 ( 2.025 3.716 3.584) 5.546 3.653 ( 13.846 5.072 13.335) 19.881 3.727 ( 9.132 7.355 -4.793) 12.667 3.800 ( 0.651 -0.996 1.091) 1.614 3.855 ( 6.143 0.600 -4.427) 7.596 4.002 ( -0.030 2.219 1.130) 2.490 4.117 ( 4.062 2.930 -2.598) 5.642 4.236 ( 1.905 0.416 3.082) 3.647 4.341 ( -3.382 -6.818 7.728) 10.846 4.443 ( 2.604 -5.767 -3.261) 7.119 4.491 ( -7.764 2.384 5.851) 10.010 4.605 ( -1.752 -2.324 -3.481) 4.537 4.642 ( -3.570 4.487 2.065) 6.094 4.686 ( -1.178 -6.169 4.517) 7.736 4.748 ( 0.083 0.745 0.734) 1.049 4.934 ( -0.473 -4.246 -7.079) 8.269 4.998 ( 1.177 -8.683 0.867) 8.805 5.052 ( -3.175 -6.539 -1.020) 7.340 5.189 ( -11.374 -0.366 2.768) 11.711 5.263 ( -5.017 1.437 2.551) 5.809 5.307 ( -16.306 1.837 -2.396) 16.583 5.352 ( -2.860 1.272 3.696) 4.843 5.578 ( 2.757 3.425 -3.684) 5.736 5.693 ( 2.677 9.326 -1.589) 9.832 5.727 ( -0.245 -1.984 -4.054) 4.520 5.882 ( -1.026 0.331 4.374) 4.505 5.933 ( -1.775 1.974 4.832) 5.513 6.056 ( 1.537 1.583 -5.160) 5.612 6.110 ( -4.312 1.357 4.386) 6.299 6.245 ( -4.371 -6.782 -8.707) 11.870 6.495 ( 0.641 4.130 -4.294) 5.992 6.612 ( 5.093 -1.898 0.889) 5.507 6.703 ( 3.980 3.905 4.374) 7.087 6.962 ( -1.262 -4.343 5.010) 6.750 7.134 ( 2.525 -0.120 -4.385) 5.061 7.300 ( -7.284 -4.405 -1.777) 8.696 7.577 ( -1.185 -4.846 -2.452) 5.558 7.786 ( -0.099 -15.321 -7.529) 17.071 7.965 ( 1.473 4.474 -1.480) 4.937 8.058 ( 0.013 8.497 -0.715) 8.527 8.161 ( -1.944 -1.533 0.356) 2.501 8.226 ( 0.908 2.038 1.203) 2.535 8.294 ( 1.990 0.884 -4.774) 5.247 8.452 ( 2.706 -0.655 -10.356) 10.724 8.494 ( 0.247 4.776 0.357) 4.795 8.597 ( -1.742 -2.053 3.702) 4.578 8.717 ( -0.978 0.706 -1.357) 1.816 8.765 ( -4.614 -0.295 6.466) 7.949 8.917 ( 3.258 4.337 -2.652) 6.039 9.059 ( 4.024 -3.682 0.090) 5.455 9.149 ( 1.159 2.228 -0.640) 2.592 9.252 ( -0.144 -0.729 -1.702) 1.857 9.362 ( -6.291 -1.718 -1.000) 6.598 9.615 ( -1.863 0.399 1.254) 2.281 9.766 ( -0.571 -4.199 1.722) 4.574 9.853 ( 0.768 -0.523 -1.658) 1.901 10.115 ( 0.074 7.768 3.493) 8.517 10.236 ( -0.527 1.161 -2.736) 3.018 10.332 ( 1.348 0.922 0.292) 1.659 10.394 ( -1.117 -0.588 0.923) 1.564 10.613 ( 1.585 -2.701 0.374) 3.154 10.696 ( 0.522 -1.326 2.766) 3.111 10.988 ( 1.119 6.400 1.171) 6.602 11.175 ( 3.044 -0.668 0.460) 3.150 11.514 ( 7.521 0.812 4.587) 8.847 11.586 ( 8.425 -0.913 10.319) 13.352 11.897 ( 0.205 7.652 -2.701) 8.117 12.015 ( 4.481 -0.402 2.429) 5.113 12.110 ( -2.114 3.177 -7.937) 8.806 12.177 ( -5.175 4.131 -0.984) 6.694 12.486 ( 7.183 -5.309 7.738) 11.818 12.699 ( 1.348 -7.045 -6.002) 9.352 12.769 ( 0.490 -6.637 0.631) 6.685 12.794 ( -2.139 -10.550 2.728) 11.105 13.173 ( -0.977 3.071 -7.817) 8.456 13.353 ( -5.626 -4.168 0.652) 7.033 13.658 ( -0.337 5.175 0.250) 5.192 13.919 ( -1.099 -7.969 1.555) 8.193 14.403 ( -0.700 5.491 1.340) 5.695 14.635 ( 0.170 3.864 0.520) 3.903 15.087 ( -1.307 19.925 -0.902) 19.988 15.790 ( 8.980 6.421 3.579) 11.605 16.211 ( -11.163 -4.537 -1.419) 12.133 16.716 ( -2.492 -13.473 4.194) 14.329 ======================= Grid point 13 (10/111) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 -3.424 0.000) 3.424 1.776 ( -0.000 0.440 -0.000) 0.440 2.137 ( -0.000 8.973 0.000) 8.973 2.153 ( 0.000 2.084 0.000) 2.084 2.394 ( 0.000 -2.197 0.000) 2.197 2.558 ( 0.000 -7.743 -0.000) 7.743 2.890 ( 0.000 -1.859 -0.000) 1.859 3.112 ( 0.000 -5.283 0.000) 5.283 3.351 ( 0.000 5.287 0.000) 5.287 3.362 ( 0.000 1.115 0.000) 1.115 3.467 ( 0.000 -0.320 0.000) 0.320 3.493 ( -0.000 -1.835 0.000) 1.835 3.604 ( 0.000 5.773 -0.000) 5.773 3.786 ( 0.000 -0.435 -0.000) 0.435 3.830 ( 0.000 2.262 0.000) 2.262 3.935 ( 0.000 1.876 0.000) 1.876 3.989 ( 0.000 3.740 0.000) 3.740 4.107 ( 0.000 7.533 0.000) 7.533 4.142 ( 0.000 3.212 -0.000) 3.212 4.300 ( 0.000 2.538 0.000) 2.538 4.314 ( -0.000 -8.327 -0.000) 8.327 4.322 ( 0.000 4.629 0.000) 4.629 4.508 ( 0.000 4.104 0.000) 4.104 4.535 ( -0.000 -5.373 0.000) 5.373 4.657 ( -0.000 -4.811 0.000) 4.811 4.674 ( 0.000 -2.807 -0.000) 2.807 4.745 ( 0.000 -2.224 -0.000) 2.224 4.952 ( 0.000 -1.086 0.000) 1.086 4.980 ( -0.000 1.653 0.000) 1.653 5.027 ( -0.000 -9.306 0.000) 9.306 5.052 ( 0.000 -7.277 0.000) 7.277 5.136 ( 0.000 4.285 0.000) 4.285 5.146 ( -0.000 -1.893 0.000) 1.893 5.361 ( 0.000 1.732 0.000) 1.732 5.643 ( 0.000 1.262 0.000) 1.262 5.661 ( -0.000 -2.321 -0.000) 2.321 5.715 ( 0.000 9.444 0.000) 9.444 5.882 ( 0.000 0.315 -0.000) 0.315 5.959 ( 0.000 1.039 -0.000) 1.039 6.053 ( 0.000 1.138 0.000) 1.138 6.076 ( 0.000 -0.358 -0.000) 0.358 6.141 ( 0.000 -5.071 0.000) 5.071 6.481 ( 0.000 7.864 0.000) 7.864 6.645 ( 0.000 -1.114 0.000) 1.114 6.832 ( 0.000 -1.441 0.000) 1.441 6.957 ( 0.000 -6.417 0.000) 6.417 7.122 ( 0.000 -0.634 -0.000) 0.634 7.208 ( 0.000 1.853 -0.000) 1.853 7.559 ( 0.000 -5.950 0.000) 5.950 7.748 ( 0.000 -17.404 0.000) 17.404 7.976 ( 0.000 5.431 0.000) 5.431 8.053 ( 0.000 12.046 0.000) 12.046 8.143 ( 0.000 -3.673 0.000) 3.673 8.239 ( 0.000 -0.598 0.000) 0.598 8.284 ( 0.000 3.095 0.000) 3.095 8.454 ( 0.000 -2.878 -0.000) 2.878 8.483 ( 0.000 5.216 0.000) 5.216 8.597 ( 0.000 -0.950 0.000) 0.950 8.704 ( -0.000 1.129 0.000) 1.129 8.739 ( 0.000 -1.099 -0.000) 1.099 8.946 ( 0.000 7.149 0.000) 7.149 9.092 ( 0.000 -3.441 0.000) 3.441 9.222 ( -0.000 2.270 0.000) 2.270 9.240 ( 0.000 -3.034 -0.000) 3.034 9.249 ( -0.000 -3.408 0.000) 3.408 9.602 ( 0.000 0.695 -0.000) 0.695 9.767 ( 0.000 -3.822 -0.000) 3.822 9.850 ( 0.000 0.425 0.000) 0.425 10.143 ( 0.000 6.304 -0.000) 6.304 10.210 ( 0.000 1.810 0.000) 1.810 10.352 ( 0.000 0.578 0.000) 0.578 10.381 ( 0.000 0.145 0.000) 0.145 10.631 ( 0.000 -3.045 0.000) 3.045 10.714 ( 0.000 -1.023 0.000) 1.023 11.002 ( 0.000 6.660 -0.000) 6.660 11.206 ( 0.000 -1.684 -0.000) 1.684 11.609 ( 0.000 2.542 -0.000) 2.542 11.756 ( 0.000 -2.551 0.000) 2.551 11.884 ( 0.000 1.917 0.000) 1.917 11.987 ( 0.000 -2.403 0.000) 2.403 12.087 ( 0.000 12.093 0.000) 12.093 12.140 ( 0.000 4.089 0.000) 4.089 12.581 ( 0.000 4.640 0.000) 4.640 12.737 ( -0.000 -13.536 0.000) 13.536 12.763 ( 0.000 -21.566 -0.000) 21.566 12.778 ( 0.000 -1.728 0.000) 1.728 13.113 ( 0.000 3.778 0.000) 3.778 13.292 ( 0.000 -2.640 0.000) 2.640 13.657 ( 0.000 5.415 0.000) 5.415 13.916 ( 0.000 -8.220 0.000) 8.220 14.402 ( 0.000 5.457 0.000) 5.457 14.638 ( 0.000 4.150 0.000) 4.150 15.070 ( 0.000 19.080 0.000) 19.080 15.936 ( 0.000 16.183 0.000) 16.183 16.050 ( 0.000 -14.346 0.000) 14.346 16.709 ( 0.000 -13.428 0.000) 13.428 ======================= Grid point 18 (11/111) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 -22.518 0.000) 22.518 1.079 ( 0.000 22.518 0.000) 22.518 1.134 ( 0.000 -24.892 0.000) 24.892 1.134 ( 0.000 24.892 0.000) 24.892 1.921 ( 0.000 -38.282 0.000) 38.282 1.921 ( 0.000 38.282 0.000) 38.282 2.754 ( 0.000 -6.455 0.000) 6.455 2.754 ( 0.000 6.455 0.000) 6.455 3.208 ( 0.000 -5.389 0.000) 5.389 3.208 ( 0.000 5.389 0.000) 5.389 3.405 ( 0.000 -1.575 0.000) 1.575 3.405 ( 0.000 1.575 0.000) 1.575 3.457 ( 0.000 -2.208 0.000) 2.208 3.457 ( 0.000 2.208 0.000) 2.208 3.740 ( 0.000 -1.017 0.000) 1.017 3.740 ( 0.000 1.017 0.000) 1.017 3.854 ( 0.000 -6.123 0.000) 6.123 3.854 ( 0.000 6.123 0.000) 6.123 4.120 ( 0.000 -2.829 0.000) 2.829 4.120 ( 0.000 2.829 0.000) 2.829 4.292 ( 0.000 -3.217 0.000) 3.217 4.292 ( 0.000 3.217 0.000) 3.217 4.533 ( 0.000 -5.803 0.000) 5.803 4.533 ( 0.000 5.803 0.000) 5.803 4.781 ( 0.000 -8.621 0.000) 8.621 4.781 ( 0.000 8.621 0.000) 8.621 4.963 ( 0.000 -2.506 0.000) 2.506 4.963 ( 0.000 2.506 0.000) 2.506 5.150 ( 0.000 -11.455 0.000) 11.455 5.150 ( 0.000 11.455 0.000) 11.455 5.407 ( 0.000 -8.146 0.000) 8.146 5.407 ( 0.000 8.146 0.000) 8.146 5.545 ( 0.000 -1.030 0.000) 1.030 5.545 ( 0.000 1.030 0.000) 1.030 5.692 ( 0.000 -0.690 0.000) 0.690 5.692 ( 0.000 0.690 0.000) 0.690 5.874 ( 0.000 -3.933 0.000) 3.933 5.874 ( 0.000 3.933 0.000) 3.933 6.077 ( 0.000 -7.274 0.000) 7.274 6.077 ( 0.000 7.274 0.000) 7.274 6.255 ( 0.000 -0.914 0.000) 0.914 6.255 ( 0.000 0.914 0.000) 0.914 6.524 ( 0.000 -0.169 0.000) 0.169 6.524 ( 0.000 0.169 0.000) 0.169 6.866 ( 0.000 -8.502 0.000) 8.502 6.866 ( 0.000 8.502 0.000) 8.502 7.238 ( 0.000 -10.813 0.000) 10.813 7.238 ( 0.000 10.813 0.000) 10.813 7.860 ( 0.000 -0.349 0.000) 0.349 7.860 ( 0.000 0.349 0.000) 0.349 8.011 ( 0.000 -9.560 0.000) 9.560 8.011 ( 0.000 9.560 0.000) 9.560 8.193 ( 0.000 -1.950 0.000) 1.950 8.193 ( 0.000 1.950 0.000) 1.950 8.370 ( 0.000 -0.285 0.000) 0.285 8.370 ( 0.000 0.285 0.000) 0.285 8.588 ( 0.000 -3.238 0.000) 3.238 8.588 ( 0.000 3.238 0.000) 3.238 8.742 ( 0.000 -4.143 0.000) 4.143 8.742 ( 0.000 4.143 0.000) 4.143 9.101 ( 0.000 -8.887 0.000) 8.887 9.101 ( 0.000 8.887 0.000) 8.887 9.146 ( 0.000 -8.653 0.000) 8.653 9.146 ( 0.000 8.653 0.000) 8.653 9.720 ( 0.000 -2.187 0.000) 2.187 9.720 ( 0.000 2.187 0.000) 2.187 9.941 ( 0.000 -0.872 0.000) 0.872 9.941 ( 0.000 0.872 0.000) 0.872 10.051 ( 0.000 -0.045 0.000) 0.045 10.051 ( 0.000 0.045 0.000) 0.045 10.380 ( 0.000 -4.780 0.000) 4.780 10.380 ( 0.000 4.780 0.000) 4.780 10.560 ( 0.000 -1.517 0.000) 1.517 10.560 ( 0.000 1.517 0.000) 1.517 10.728 ( 0.000 -7.274 0.000) 7.274 10.728 ( 0.000 7.274 0.000) 7.274 10.968 ( 0.000 -4.891 0.000) 4.891 10.968 ( 0.000 4.891 0.000) 4.891 11.609 ( 0.000 -2.036 0.000) 2.036 11.609 ( 0.000 2.036 0.000) 2.036 12.432 ( 0.000 -12.503 0.000) 12.503 12.432 ( 0.000 12.503 0.000) 12.503 12.571 ( 0.000 -5.780 0.000) 5.780 12.571 ( 0.000 5.780 0.000) 5.780 12.927 ( 0.000 -1.249 0.000) 1.249 12.927 ( 0.000 1.249 0.000) 1.249 13.379 ( 0.000 -6.201 0.000) 6.201 13.379 ( 0.000 6.201 0.000) 6.201 13.901 ( 0.000 -5.370 0.000) 5.370 13.901 ( 0.000 5.370 0.000) 5.370 14.504 ( 0.000 -5.942 0.000) 5.942 14.504 ( 0.000 5.942 0.000) 5.942 15.212 ( 0.000 -6.054 0.000) 6.054 15.212 ( 0.000 6.054 0.000) 6.054 16.803 ( 0.000 -1.153 0.000) 1.153 16.803 ( 0.000 1.153 0.000) 1.153 ======================= Grid point 20 (12/111) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 10.507 -21.068 3.228) 23.763 1.210 ( 10.507 21.068 3.228) 23.763 1.358 ( 13.271 -21.784 5.977) 26.199 1.358 ( 13.271 21.784 5.977) 26.199 2.128 ( 18.341 -27.416 10.452) 34.602 2.128 ( 18.341 27.416 10.452) 34.602 2.812 ( 4.135 -4.886 4.540) 7.848 2.812 ( 4.135 4.886 4.540) 7.848 3.146 ( -7.041 -4.935 0.763) 8.633 3.146 ( -7.041 4.935 0.763) 8.633 3.419 ( 0.166 -3.229 1.217) 3.455 3.419 ( 0.166 3.229 1.217) 3.455 3.498 ( 1.624 -4.120 5.484) 7.049 3.498 ( 1.624 4.120 5.484) 7.049 3.687 ( -3.676 -4.663 -3.389) 6.837 3.687 ( -3.676 4.663 -3.389) 6.837 3.861 ( 4.710 -3.478 -4.409) 7.329 3.861 ( 4.710 3.478 -4.409) 7.329 4.167 ( 1.920 -6.441 1.119) 6.814 4.167 ( 1.920 6.441 1.119) 6.814 4.307 ( 0.748 -1.523 1.476) 2.249 4.307 ( 0.748 1.523 1.476) 2.249 4.557 ( 1.129 -4.991 2.540) 5.713 4.557 ( 1.129 4.991 2.540) 5.713 4.738 ( -5.224 -6.932 1.418) 8.795 4.738 ( -5.224 6.932 1.418) 8.795 4.898 ( -3.723 -3.134 -2.026) 5.271 4.898 ( -3.723 3.134 -2.026) 5.271 5.152 ( 1.529 -8.143 -3.807) 9.118 5.152 ( 1.529 8.143 -3.807) 9.118 5.340 ( -6.140 -2.940 0.146) 6.809 5.340 ( -6.140 2.940 0.146) 6.809 5.572 ( -3.183 -4.918 11.071) 12.526 5.572 ( -3.183 4.918 11.071) 12.526 5.709 ( 1.197 -1.371 -1.032) 2.092 5.709 ( 1.197 1.371 -1.032) 2.092 5.912 ( 3.403 -6.654 -1.843) 7.697 5.912 ( 3.403 6.654 -1.843) 7.697 6.006 ( -6.074 -6.496 0.200) 8.896 6.006 ( -6.074 6.496 0.200) 8.896 6.250 ( 0.300 -1.906 -0.835) 2.103 6.250 ( 0.300 1.906 -0.835) 2.103 6.509 ( 0.503 -0.149 -4.111) 4.144 6.509 ( 0.503 0.149 -4.111) 4.144 6.858 ( -0.012 -8.008 -1.402) 8.130 6.858 ( -0.012 8.008 -1.402) 8.130 7.224 ( -1.164 -11.091 -0.797) 11.180 7.224 ( -1.164 11.091 -0.797) 11.180 7.803 ( -3.183 -2.330 -3.453) 5.242 7.803 ( -3.183 2.330 -3.453) 5.242 8.025 ( 1.685 -5.902 -3.548) 7.090 8.025 ( 1.685 5.902 -3.548) 7.090 8.175 ( 0.833 -2.464 -2.278) 3.457 8.175 ( 0.833 2.464 -2.278) 3.457 8.424 ( 0.804 -1.779 8.717) 8.933 8.424 ( 0.804 1.779 8.717) 8.933 8.542 ( -0.987 -6.498 -5.614) 8.643 8.542 ( -0.987 6.498 -5.614) 8.643 8.770 ( 0.156 -0.975 2.060) 2.284 8.770 ( 0.156 0.975 2.060) 2.284 9.034 ( -0.685 -3.443 -8.216) 8.934 9.034 ( -0.685 3.443 -8.216) 8.934 9.194 ( 2.659 -7.908 -0.087) 8.344 9.194 ( 2.659 7.908 -0.087) 8.344 9.658 ( -5.002 -0.942 -4.941) 7.094 9.658 ( -5.002 0.942 -4.941) 7.094 9.814 ( -2.165 -2.134 -1.070) 3.223 9.814 ( -2.165 2.134 -1.070) 3.223 10.208 ( 4.289 -4.116 3.626) 6.964 10.208 ( 4.289 4.116 3.626) 6.964 10.349 ( -2.144 -3.527 0.864) 4.217 10.349 ( -2.144 3.527 0.864) 4.217 10.572 ( 0.053 -1.999 1.924) 2.775 10.572 ( 0.053 1.999 1.924) 2.775 10.886 ( 8.051 -8.695 10.895) 16.098 10.886 ( 8.051 8.695 10.895) 16.098 11.039 ( 6.695 -2.596 2.620) 7.644 11.039 ( 6.695 2.596 2.620) 7.644 11.681 ( 5.975 -1.092 3.506) 7.013 11.681 ( 5.975 1.092 3.506) 7.013 12.407 ( -1.593 -6.452 -8.678) 10.930 12.407 ( -1.593 6.452 -8.678) 10.930 12.488 ( -5.082 -2.173 1.580) 5.749 12.488 ( -5.082 2.173 1.580) 5.749 12.859 ( -3.802 -0.824 -3.112) 4.982 12.859 ( -3.802 0.824 -3.112) 4.982 13.380 ( 1.449 -5.459 -4.718) 7.360 13.380 ( 1.449 5.459 -4.718) 7.360 13.847 ( -4.589 -6.034 2.159) 7.882 13.847 ( -4.589 6.034 2.159) 7.882 14.522 ( 0.013 -6.102 2.756) 6.696 14.522 ( 0.013 6.102 2.756) 6.696 15.350 ( 9.399 -3.103 3.680) 10.560 15.350 ( 9.399 3.103 3.680) 10.560 16.683 ( -10.932 -0.879 1.375) 11.053 16.683 ( -10.932 0.879 1.375) 11.053 ======================= Grid point 22 (13/111) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 9.092 -16.951 4.161) 19.680 1.450 ( 9.092 16.951 4.161) 19.680 1.660 ( 17.652 -14.449 -1.055) 22.836 1.660 ( 17.652 14.449 -1.055) 22.836 2.677 ( 19.111 -9.308 9.967) 23.478 2.677 ( 19.111 9.308 9.967) 23.478 2.896 ( -9.037 -6.284 1.123) 11.064 2.896 ( -9.037 6.284 1.123) 11.064 3.074 ( 8.302 -4.753 14.007) 16.962 3.074 ( 8.302 4.753 14.007) 16.962 3.426 ( 0.154 -1.671 -0.319) 1.708 3.426 ( 0.154 1.671 -0.319) 1.708 3.570 ( 0.199 -4.381 4.776) 6.484 3.570 ( 0.199 4.381 4.776) 6.484 3.657 ( 3.995 -6.951 -0.031) 8.017 3.657 ( 3.995 6.951 -0.031) 8.017 3.909 ( 4.949 -4.226 -7.834) 10.185 3.909 ( 4.949 4.226 -7.834) 10.185 4.176 ( -1.971 -4.663 2.257) 5.543 4.176 ( -1.971 4.663 2.257) 5.543 4.338 ( 0.197 -2.008 2.034) 2.865 4.338 ( 0.197 2.008 2.034) 2.865 4.582 ( -3.073 -1.207 3.041) 4.489 4.582 ( -3.073 1.207 3.041) 4.489 4.672 ( 0.795 -2.637 0.403) 2.784 4.672 ( 0.795 2.637 0.403) 2.784 4.801 ( -5.333 -6.674 -0.209) 8.546 4.801 ( -5.333 6.674 -0.209) 8.546 5.108 ( -3.292 -5.819 -6.566) 9.371 5.108 ( -3.292 5.819 -6.566) 9.371 5.247 ( -3.416 -2.691 4.655) 6.370 5.247 ( -3.416 2.691 4.655) 6.370 5.543 ( -9.423 -5.186 6.536) 12.586 5.543 ( -9.423 5.186 6.536) 12.586 5.695 ( -0.425 -2.967 -2.799) 4.100 5.695 ( -0.425 2.967 -2.799) 4.100 5.869 ( -2.809 -6.411 -1.085) 7.083 5.869 ( -2.809 6.411 -1.085) 7.083 5.989 ( 1.094 -4.905 2.237) 5.501 5.989 ( 1.094 4.905 2.237) 5.501 6.238 ( -1.997 -3.026 -1.141) 3.801 6.238 ( -1.997 3.026 -1.141) 3.801 6.500 ( 3.473 -0.771 -4.572) 5.793 6.500 ( 3.473 0.771 -4.572) 5.793 6.844 ( -1.134 -8.200 0.347) 8.285 6.844 ( -1.134 8.200 0.347) 8.285 7.191 ( -0.670 -8.894 -1.298) 9.013 7.191 ( -0.670 8.894 -1.298) 9.013 7.692 ( -3.896 -4.153 -6.158) 8.387 7.692 ( -3.896 4.153 -6.158) 8.387 8.029 ( 1.106 -3.407 -0.640) 3.638 8.029 ( 1.106 3.407 -0.640) 3.638 8.205 ( 4.234 -3.695 -4.052) 6.928 8.205 ( 4.234 3.695 -4.052) 6.928 8.453 ( -3.239 -8.871 -1.137) 9.512 8.453 ( -3.239 8.871 -1.137) 9.512 8.522 ( 2.782 -2.174 0.082) 3.532 8.522 ( 2.782 2.174 0.082) 3.532 8.760 ( -3.357 -1.044 4.140) 5.431 8.760 ( -3.357 1.044 4.140) 5.431 8.975 ( 1.900 -3.108 -7.165) 8.038 8.975 ( 1.900 3.108 -7.165) 8.038 9.230 ( 1.754 -6.619 -1.679) 7.050 9.230 ( 1.754 6.619 -1.679) 7.050 9.517 ( -5.733 -4.418 -1.119) 7.324 9.517 ( -5.733 4.418 -1.119) 7.324 9.804 ( 0.052 -3.476 0.258) 3.486 9.804 ( 0.052 3.476 0.258) 3.486 10.246 ( -0.717 -4.019 0.940) 4.190 10.246 ( -0.717 4.019 0.940) 4.190 10.347 ( 1.036 -2.876 0.034) 3.057 10.347 ( 1.036 2.876 0.034) 3.057 10.600 ( 0.634 -2.969 2.824) 4.147 10.600 ( 0.634 2.969 2.824) 4.147 11.052 ( 4.169 -4.957 1.635) 6.681 11.052 ( 4.169 4.957 1.635) 6.681 11.293 ( 10.304 -2.790 10.968) 15.306 11.293 ( 10.304 2.790 10.968) 15.306 11.889 ( 9.539 -6.995 7.290) 13.895 11.889 ( 9.539 6.995 7.290) 13.895 12.229 ( -4.977 -7.027 -9.393) 12.743 12.229 ( -4.977 7.027 -9.393) 12.743 12.467 ( -0.898 -12.736 1.588) 12.866 12.467 ( -0.898 12.736 1.588) 12.866 12.767 ( -2.415 -1.641 -3.327) 4.426 12.767 ( -2.415 1.641 -3.327) 4.426 13.337 ( -1.158 -4.771 -5.894) 7.671 13.337 ( -1.158 4.771 -5.894) 7.671 13.798 ( -2.770 -6.307 3.044) 7.532 13.798 ( -2.770 6.307 3.044) 7.532 14.540 ( -0.592 -6.638 2.686) 7.185 14.540 ( -0.592 6.638 2.686) 7.185 15.534 ( 6.420 -10.493 0.675) 12.320 15.534 ( 6.420 10.493 0.675) 12.320 16.485 ( -10.272 -7.194 3.575) 13.040 16.485 ( -10.272 7.194 3.575) 13.040 ======================= Grid point 24 (14/111) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 7.901 -7.137 2.598) 10.959 1.642 ( 7.901 7.137 2.598) 10.959 2.009 ( 17.656 -10.219 -1.151) 20.432 2.009 ( 17.656 10.219 -1.151) 20.432 2.594 ( -14.881 -9.279 -0.570) 17.547 2.594 ( -14.881 9.279 -0.570) 17.547 2.944 ( 2.883 -5.595 3.022) 6.982 2.944 ( 2.883 5.595 3.022) 6.982 3.382 ( 3.517 -2.440 2.017) 4.732 3.382 ( 3.517 2.440 2.017) 4.732 3.444 ( 1.828 -1.740 -0.648) 2.605 3.444 ( 1.828 1.740 -0.648) 2.605 3.705 ( 6.174 -5.905 8.820) 12.280 3.705 ( 6.174 5.905 8.820) 12.280 3.770 ( 5.870 -4.935 4.269) 8.777 3.770 ( 5.870 4.935 4.269) 8.777 3.982 ( 10.354 -6.285 -1.953) 12.268 3.982 ( 10.354 6.285 -1.953) 12.268 4.174 ( 1.109 -2.319 3.663) 4.475 4.174 ( 1.109 2.319 3.663) 4.475 4.311 ( -4.598 -3.551 1.663) 6.043 4.311 ( -4.598 3.551 1.663) 6.043 4.555 ( -1.246 -3.656 2.901) 4.831 4.555 ( -1.246 3.656 2.901) 4.831 4.673 ( -3.934 -7.971 -2.121) 9.138 4.673 ( -3.934 7.971 -2.121) 9.138 4.769 ( 4.761 -1.887 1.316) 5.287 4.769 ( 4.761 1.887 1.316) 5.287 4.950 ( -6.714 -1.770 -4.459) 8.252 4.950 ( -6.714 1.770 -4.459) 8.252 5.243 ( -4.012 -3.588 3.749) 6.559 5.243 ( -4.012 3.588 3.749) 6.559 5.336 ( -10.346 -1.069 -1.420) 10.498 5.336 ( -10.346 1.069 -1.420) 10.498 5.665 ( -0.042 -3.671 -2.760) 4.593 5.665 ( -0.042 3.671 -2.760) 4.593 5.852 ( -0.216 -4.295 1.721) 4.632 5.852 ( -0.216 4.295 1.721) 4.632 6.015 ( -0.741 -5.582 2.640) 6.219 6.015 ( -0.741 5.582 2.640) 6.219 6.144 ( -3.186 -2.415 -5.585) 6.869 6.144 ( -3.186 2.415 -5.585) 6.869 6.566 ( 4.250 -2.521 -0.630) 4.981 6.566 ( 4.250 2.521 -0.630) 4.981 6.827 ( -1.472 -7.273 2.856) 7.951 6.827 ( -1.472 7.273 2.856) 7.951 7.185 ( 0.777 -4.937 -1.269) 5.156 7.185 ( 0.777 4.937 -1.269) 5.156 7.564 ( -3.196 -4.440 -5.741) 7.930 7.564 ( -3.196 4.440 -5.741) 7.930 8.052 ( 0.432 -3.563 1.854) 4.039 8.052 ( 0.432 3.563 1.854) 4.039 8.246 ( 3.996 -4.223 -5.824) 8.229 8.246 ( 3.996 4.223 -5.824) 8.229 8.374 ( -2.577 -6.850 -2.457) 7.720 8.374 ( -2.577 6.850 -2.457) 7.720 8.558 ( 0.707 -1.649 0.678) 1.918 8.558 ( 0.707 1.649 0.678) 1.918 8.730 ( -2.743 -1.509 2.653) 4.104 8.730 ( -2.743 1.509 2.653) 4.104 8.994 ( 4.048 -2.438 -2.595) 5.391 8.994 ( 4.048 2.438 -2.595) 5.391 9.231 ( -0.836 -2.077 -0.495) 2.293 9.231 ( -0.836 2.077 -0.495) 2.293 9.426 ( -3.265 -10.203 0.548) 10.727 9.426 ( -3.265 10.203 0.548) 10.727 9.806 ( -0.087 -4.019 0.078) 4.021 9.806 ( -0.087 4.019 0.078) 4.021 10.240 ( -0.328 -2.565 0.568) 2.647 10.240 ( -0.328 2.565 0.568) 2.647 10.365 ( 0.845 -2.008 -0.329) 2.203 10.365 ( 0.845 2.008 -0.329) 2.203 10.637 ( 0.606 -3.723 2.463) 4.505 10.637 ( 0.606 3.723 2.463) 4.505 11.114 ( 1.818 -4.980 -0.176) 5.304 11.114 ( 1.818 4.980 -0.176) 5.304 11.551 ( 7.702 -2.192 7.691) 11.103 11.551 ( 7.702 2.192 7.691) 11.103 12.012 ( -2.447 -2.533 -4.456) 5.680 12.012 ( -2.447 2.533 -4.456) 5.680 12.200 ( 6.926 -9.762 4.378) 12.745 12.200 ( 6.926 9.762 4.378) 12.745 12.453 ( -1.543 -13.999 0.555) 14.094 12.453 ( -1.543 13.999 0.555) 14.094 12.716 ( -0.569 -3.888 -1.930) 4.378 12.716 ( -0.569 3.888 -1.930) 4.378 13.248 ( -2.682 -4.330 -4.730) 6.951 13.248 ( -2.682 4.330 -4.730) 6.951 13.784 ( -0.994 -5.975 1.803) 6.320 13.784 ( -0.994 5.975 1.803) 6.320 14.546 ( -0.578 -7.170 1.531) 7.354 14.546 ( -0.578 7.170 1.531) 7.354 15.606 ( 1.888 -21.807 -1.212) 21.922 15.606 ( 1.888 21.807 -1.212) 21.922 16.369 ( -4.841 -16.566 3.325) 17.576 16.369 ( -4.841 16.566 3.325) 17.576 ======================= Grid point 26 (15/111) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 0.000 -1.786 -0.000) 1.786 1.750 ( 0.000 1.786 0.000) 1.786 2.246 ( -0.000 -1.424 0.000) 1.424 2.246 ( 0.000 1.424 0.000) 1.424 2.372 ( 0.000 -4.341 -0.000) 4.341 2.372 ( 0.000 4.341 0.000) 4.341 2.968 ( 0.000 -6.999 0.000) 6.999 2.968 ( 0.000 6.999 0.000) 6.999 3.404 ( -0.000 -1.120 0.000) 1.120 3.404 ( 0.000 1.120 -0.000) 1.120 3.452 ( 0.000 -0.906 0.000) 0.906 3.452 ( 0.000 0.906 0.000) 0.906 3.743 ( 0.000 -4.902 0.000) 4.902 3.743 ( 0.000 4.902 0.000) 4.902 3.899 ( 0.000 -4.053 -0.000) 4.053 3.899 ( 0.000 4.053 -0.000) 4.053 4.097 ( 0.000 -6.332 0.000) 6.332 4.097 ( 0.000 6.332 -0.000) 6.332 4.246 ( 0.000 -2.549 0.000) 2.549 4.246 ( 0.000 2.549 -0.000) 2.549 4.323 ( -0.000 -0.495 0.000) 0.495 4.323 ( 0.000 0.495 0.000) 0.495 4.575 ( 0.000 -1.335 0.000) 1.335 4.575 ( 0.000 1.335 0.000) 1.335 4.588 ( -0.000 -7.276 -0.000) 7.276 4.588 ( 0.000 7.276 0.000) 7.276 4.798 ( 0.000 -11.168 0.000) 11.168 4.798 ( -0.000 11.168 -0.000) 11.168 4.913 ( 0.000 -1.258 0.000) 1.258 4.913 ( 0.000 1.258 0.000) 1.258 5.080 ( -0.000 -3.706 -0.000) 3.706 5.080 ( -0.000 3.706 -0.000) 3.706 5.289 ( 0.000 -6.723 -0.000) 6.723 5.289 ( 0.000 6.723 0.000) 6.723 5.653 ( 0.000 -0.324 0.000) 0.324 5.653 ( 0.000 0.324 0.000) 0.324 5.861 ( 0.000 -3.196 0.000) 3.196 5.861 ( 0.000 3.196 0.000) 3.196 6.010 ( 0.000 -4.246 -0.000) 4.246 6.010 ( 0.000 4.246 0.000) 4.246 6.085 ( 0.000 -1.539 0.000) 1.539 6.085 ( 0.000 1.539 0.000) 1.539 6.608 ( 0.000 -3.175 0.000) 3.175 6.608 ( 0.000 3.175 0.000) 3.175 6.832 ( 0.000 -3.521 -0.000) 3.521 6.832 ( 0.000 3.521 0.000) 3.521 7.186 ( 0.000 -4.531 -0.000) 4.531 7.186 ( 0.000 4.531 0.000) 4.531 7.504 ( 0.000 -3.021 0.000) 3.021 7.504 ( 0.000 3.021 0.000) 3.021 8.066 ( 0.000 -3.362 0.000) 3.362 8.066 ( 0.000 3.362 0.000) 3.362 8.259 ( -0.000 -5.828 0.000) 5.828 8.259 ( 0.000 5.828 0.000) 5.828 8.334 ( 0.000 -7.191 -0.000) 7.191 8.334 ( 0.000 7.191 -0.000) 7.191 8.569 ( 0.000 -2.971 0.000) 2.971 8.569 ( 0.000 2.971 0.000) 2.971 8.709 ( -0.000 -1.025 0.000) 1.025 8.709 ( 0.000 1.025 0.000) 1.025 9.040 ( 0.000 -1.837 0.000) 1.837 9.040 ( 0.000 1.837 0.000) 1.837 9.208 ( 0.000 -0.285 0.000) 0.285 9.208 ( 0.000 0.285 0.000) 0.285 9.398 ( 0.000 -13.472 -0.000) 13.472 9.398 ( 0.000 13.472 -0.000) 13.472 9.805 ( 0.000 -4.118 0.000) 4.118 9.805 ( 0.000 4.118 0.000) 4.118 10.241 ( 0.000 -0.610 0.000) 0.610 10.241 ( 0.000 0.610 0.000) 0.610 10.372 ( 0.000 -1.105 0.000) 1.105 10.372 ( 0.000 1.105 0.000) 1.105 10.655 ( 0.000 -4.041 0.000) 4.041 10.655 ( 0.000 4.041 0.000) 4.041 11.129 ( 0.000 -5.223 -0.000) 5.223 11.129 ( 0.000 5.223 -0.000) 5.223 11.682 ( 0.000 -3.988 0.000) 3.988 11.682 ( 0.000 3.988 0.000) 3.988 11.934 ( 0.000 -2.522 0.000) 2.522 11.934 ( 0.000 2.522 0.000) 2.522 12.318 ( 0.000 -8.070 0.000) 8.070 12.318 ( -0.000 8.070 0.000) 8.070 12.430 ( 0.000 -8.619 -0.000) 8.619 12.430 ( 0.000 8.619 0.000) 8.619 12.704 ( 0.000 -5.144 0.000) 5.144 12.704 ( 0.000 5.144 0.000) 5.144 13.192 ( 0.000 -4.525 0.000) 4.525 13.192 ( 0.000 4.525 0.000) 4.525 13.783 ( 0.000 -5.769 0.000) 5.769 13.783 ( 0.000 5.769 0.000) 5.769 14.547 ( 0.000 -7.375 0.000) 7.375 14.547 ( 0.000 7.375 0.000) 7.375 15.615 ( 0.000 -25.487 0.000) 25.487 15.615 ( 0.000 25.487 0.000) 25.487 16.339 ( 0.000 -19.774 0.000) 19.774 16.339 ( 0.000 19.774 0.000) 19.774 ======================= Grid point 45 (16/111) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -2.949 0.000 26.992) 27.152 0.585 ( -6.258 0.000 29.766) 30.417 1.048 ( 14.529 0.000 52.963) 54.920 1.738 ( -5.096 0.000 7.792) 9.310 2.152 ( 11.382 0.000 18.548) 21.762 2.277 ( -5.637 0.000 -5.732) 8.039 2.696 ( 8.150 0.000 -9.908) 12.829 2.836 ( 6.979 0.000 -4.573) 8.344 3.122 ( 1.400 0.000 7.290) 7.424 3.200 ( 7.406 0.000 -0.185) 7.408 3.308 ( -12.618 0.000 -5.793) 13.884 3.394 ( 2.781 0.000 1.057) 2.975 3.424 ( 0.649 0.000 0.152) 0.667 3.446 ( 4.292 0.000 1.475) 4.539 3.515 ( 0.726 0.000 2.294) 2.406 3.723 ( -6.059 0.000 -3.133) 6.821 3.937 ( -7.469 0.000 3.366) 8.192 3.949 ( -0.211 0.000 -1.571) 1.585 4.148 ( 1.621 0.000 -6.789) 6.980 4.158 ( 7.395 0.000 3.644) 8.244 4.301 ( -1.591 0.000 -6.590) 6.779 4.406 ( -6.317 0.000 5.574) 8.425 4.536 ( 2.812 0.000 2.512) 3.771 4.699 ( -4.394 0.000 -3.699) 5.744 4.778 ( -0.733 0.000 -0.567) 0.926 4.909 ( 2.925 0.000 4.927) 5.730 4.918 ( 5.554 0.000 5.016) 7.484 4.988 ( 2.734 0.000 3.311) 4.294 5.071 ( 4.669 0.000 2.290) 5.200 5.121 ( 19.124 0.000 -3.641) 19.467 5.361 ( 3.793 0.000 1.938) 4.259 5.505 ( 1.497 0.000 2.358) 2.793 5.521 ( 3.269 0.000 -2.328) 4.013 5.569 ( -6.533 0.000 -6.987) 9.565 5.671 ( 2.552 0.000 -4.134) 4.858 5.739 ( 1.802 0.000 0.303) 1.827 5.820 ( 3.765 0.000 1.994) 4.260 5.860 ( 5.975 0.000 1.399) 6.136 6.022 ( -4.698 0.000 4.471) 6.485 6.073 ( -8.938 0.000 -0.192) 8.940 6.085 ( -0.651 0.000 -8.171) 8.197 6.379 ( -0.180 0.000 -0.327) 0.373 6.562 ( -1.570 0.000 2.874) 3.275 6.589 ( -4.770 0.000 3.617) 5.986 6.621 ( -2.655 0.000 -1.060) 2.859 6.875 ( 1.439 0.000 -3.817) 4.079 7.118 ( -3.183 0.000 1.729) 3.622 7.618 ( 0.478 0.000 -2.945) 2.983 7.766 ( -1.919 0.000 1.430) 2.393 7.818 ( -3.393 0.000 0.370) 3.413 7.966 ( 6.469 0.000 -10.912) 12.685 7.982 ( -20.711 0.000 1.148) 20.743 8.094 ( 0.240 0.000 -4.806) 4.812 8.175 ( 1.916 0.000 -4.574) 4.959 8.250 ( 0.714 0.000 -4.734) 4.788 8.440 ( 1.024 0.000 4.293) 4.414 8.520 ( 0.018 0.000 2.184) 2.185 8.535 ( 2.789 0.000 4.252) 5.085 8.758 ( -0.183 0.000 -3.319) 3.324 8.781 ( 1.485 0.000 -5.942) 6.125 8.860 ( -11.549 0.000 -3.872) 12.181 8.997 ( -4.558 0.000 -3.047) 5.483 9.217 ( -3.323 0.000 -0.489) 3.359 9.297 ( -1.435 0.000 2.853) 3.193 9.677 ( -1.206 0.000 5.395) 5.528 9.742 ( -4.389 0.000 -5.714) 7.205 9.825 ( -2.547 0.000 -0.270) 2.561 9.836 ( -1.010 0.000 -0.164) 1.023 10.138 ( 2.943 0.000 0.438) 2.976 10.184 ( 6.255 0.000 11.096) 12.737 10.300 ( -1.780 0.000 4.294) 4.649 10.337 ( 4.621 0.000 -0.082) 4.622 10.418 ( 0.364 0.000 2.531) 2.557 10.580 ( 12.163 0.000 2.795) 12.480 10.783 ( 1.172 0.000 -0.521) 1.282 10.895 ( 0.134 0.000 1.230) 1.238 11.098 ( 0.222 0.000 6.628) 6.631 11.170 ( -0.217 0.000 10.820) 10.822 11.778 ( 0.813 0.000 -0.376) 0.896 11.942 ( -1.244 0.000 2.001) 2.356 12.144 ( -2.097 0.000 1.785) 2.754 12.590 ( -22.286 0.000 -2.943) 22.479 12.746 ( 0.317 0.000 -3.229) 3.245 12.804 ( -15.367 0.000 -1.977) 15.493 12.902 ( -2.340 0.000 -4.288) 4.885 12.906 ( 2.931 0.000 -6.335) 6.980 13.345 ( -4.523 0.000 5.948) 7.472 13.713 ( -5.667 0.000 -1.775) 5.938 13.972 ( -18.043 0.000 -5.648) 18.907 14.267 ( 1.957 0.000 -4.118) 4.559 14.345 ( -24.899 0.000 10.958) 27.203 14.412 ( -0.566 0.000 3.803) 3.845 14.977 ( -0.073 0.000 2.491) 2.492 15.045 ( 7.378 0.000 3.435) 8.139 16.245 ( 83.698 0.000 -3.920) 83.789 16.739 ( 1.532 0.000 -9.544) 9.666 ======================= Grid point 46 (17/111) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 13.713 0.000 21.013) 25.091 0.886 ( 12.731 0.000 23.109) 26.384 1.814 ( 6.256 0.000 5.862) 8.574 1.946 ( 23.429 0.000 29.966) 38.038 2.138 ( 3.989 0.000 -0.211) 3.994 2.682 ( 20.814 0.000 22.293) 30.499 2.804 ( 9.454 0.000 -4.455) 10.451 2.874 ( -1.013 0.000 1.618) 1.909 2.968 ( -15.731 0.000 -0.547) 15.741 3.226 ( 1.478 0.000 8.842) 8.965 3.399 ( -0.299 0.000 -5.349) 5.358 3.413 ( 10.919 0.000 -2.847) 11.284 3.476 ( 0.444 0.000 6.898) 6.912 3.486 ( 2.879 0.000 -0.400) 2.907 3.589 ( -4.669 0.000 -3.943) 6.111 3.630 ( 6.639 0.000 1.293) 6.764 3.762 ( -5.291 0.000 -9.365) 10.756 3.891 ( -3.034 0.000 -3.172) 4.389 4.133 ( -1.973 0.000 3.479) 4.000 4.255 ( -2.196 0.000 0.728) 2.313 4.283 ( 6.503 0.000 -9.293) 11.342 4.364 ( -2.195 0.000 7.275) 7.599 4.589 ( 1.452 0.000 0.464) 1.524 4.646 ( -0.700 0.000 2.245) 2.352 4.761 ( -0.454 0.000 -2.002) 2.052 4.999 ( 1.754 0.000 -1.657) 2.413 5.040 ( -3.031 0.000 6.687) 7.342 5.052 ( 0.843 0.000 9.117) 9.156 5.076 ( -1.903 0.000 3.561) 4.037 5.256 ( 7.531 0.000 -9.592) 12.196 5.310 ( -7.963 0.000 -8.598) 11.719 5.387 ( -2.491 0.000 4.280) 4.952 5.503 ( -4.451 0.000 -1.417) 4.671 5.536 ( -2.706 0.000 1.141) 2.937 5.644 ( -1.198 0.000 -0.772) 1.425 5.710 ( -3.806 0.000 0.234) 3.813 5.840 ( -2.230 0.000 3.952) 4.538 5.932 ( -4.563 0.000 -1.000) 4.672 5.955 ( -2.147 0.000 -10.074) 10.300 6.037 ( 3.867 0.000 6.121) 7.240 6.252 ( 9.978 0.000 8.682) 13.227 6.306 ( -4.807 0.000 -2.911) 5.620 6.497 ( -4.874 0.000 -2.213) 5.353 6.510 ( -4.374 0.000 0.207) 4.379 6.602 ( 0.800 0.000 0.010) 0.800 6.927 ( 5.011 0.000 -0.170) 5.013 7.066 ( -2.248 0.000 0.885) 2.416 7.612 ( 3.731 0.000 -11.212) 11.816 7.729 ( -4.469 0.000 1.276) 4.647 7.765 ( 0.645 0.000 -6.208) 6.242 7.772 ( -1.877 0.000 -4.230) 4.628 8.002 ( 5.046 0.000 -7.391) 8.949 8.022 ( -2.086 0.000 -2.871) 3.548 8.171 ( 1.777 0.000 -3.438) 3.870 8.204 ( -0.843 0.000 -5.253) 5.320 8.509 ( 1.256 0.000 3.684) 3.892 8.511 ( -4.295 0.000 2.133) 4.795 8.671 ( 4.665 0.000 4.997) 6.836 8.704 ( 0.499 0.000 0.127) 0.515 8.715 ( -0.495 0.000 -4.620) 4.646 8.865 ( 5.012 0.000 -9.773) 10.983 8.908 ( -0.046 0.000 -3.348) 3.349 9.145 ( -2.466 0.000 -0.811) 2.596 9.280 ( -2.128 0.000 1.642) 2.688 9.624 ( -4.753 0.000 -1.354) 4.942 9.676 ( -2.748 0.000 3.924) 4.790 9.811 ( 1.461 0.000 -0.474) 1.536 9.825 ( -0.727 0.000 0.881) 1.142 10.152 ( -2.681 0.000 3.834) 4.678 10.268 ( 1.447 0.000 0.494) 1.529 10.275 ( -3.717 0.000 3.302) 4.972 10.439 ( 0.463 0.000 2.333) 2.379 10.532 ( 5.798 0.000 6.015) 8.354 10.712 ( 1.244 0.000 3.461) 3.677 10.861 ( 4.593 0.000 1.066) 4.715 10.969 ( 5.172 0.000 3.287) 6.128 11.213 ( 5.030 0.000 8.611) 9.972 11.320 ( 4.729 0.000 15.256) 15.972 11.826 ( 4.007 0.000 1.048) 4.142 11.840 ( -8.390 0.000 3.812) 9.215 12.121 ( -1.499 0.000 -0.167) 1.508 12.359 ( -0.978 0.000 7.436) 7.500 12.547 ( -11.781 0.000 -2.215) 11.988 12.731 ( 1.328 0.000 -3.116) 3.387 12.801 ( -2.561 0.000 -7.242) 7.682 12.903 ( 2.467 0.000 -6.407) 6.865 13.295 ( -5.173 0.000 4.516) 6.867 13.602 ( -4.252 0.000 3.030) 5.221 13.785 ( -4.055 0.000 -0.941) 4.162 14.215 ( -7.799 0.000 10.905) 13.407 14.269 ( 1.717 0.000 -3.843) 4.209 14.426 ( -1.491 0.000 3.834) 4.114 14.989 ( -1.041 0.000 2.630) 2.828 15.299 ( 12.503 0.000 4.930) 13.439 16.609 ( -5.400 0.000 -10.330) 11.657 16.861 ( 12.366 0.000 -15.472) 19.806 ======================= Grid point 47 (18/111) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 17.832 0.000 16.177) 24.077 1.368 ( 17.114 0.000 17.479) 24.463 1.885 ( -3.292 0.000 -12.441) 12.869 2.048 ( 12.318 0.000 4.204) 13.015 2.604 ( -15.981 0.000 -0.006) 15.981 2.907 ( 15.768 0.000 12.195) 19.933 2.948 ( 10.469 0.000 -5.011) 11.607 2.962 ( 15.256 0.000 18.827) 24.232 3.091 ( -6.204 0.000 8.642) 10.639 3.253 ( -3.366 0.000 -8.053) 8.728 3.387 ( 7.674 0.000 13.922) 15.897 3.480 ( 1.181 0.000 -7.288) 7.383 3.482 ( 0.902 0.000 -0.783) 1.195 3.576 ( 4.063 0.000 4.189) 5.836 3.604 ( -0.590 0.000 1.018) 1.177 3.692 ( 5.154 0.000 -2.897) 5.912 3.706 ( 4.916 0.000 -1.339) 5.095 3.856 ( 2.855 0.000 -3.479) 4.501 4.104 ( -3.724 0.000 1.863) 4.164 4.227 ( 1.469 0.000 0.601) 1.587 4.362 ( 8.272 0.000 -9.118) 12.311 4.401 ( 0.420 0.000 5.455) 5.472 4.616 ( 2.146 0.000 -0.614) 2.232 4.644 ( -2.301 0.000 2.570) 3.449 4.722 ( -2.554 0.000 -0.013) 2.554 4.872 ( -14.225 0.000 4.332) 14.870 4.899 ( -8.060 0.000 -2.824) 8.540 5.104 ( 1.812 0.000 -3.204) 3.681 5.123 ( -4.022 0.000 3.890) 5.596 5.195 ( -1.939 0.000 1.691) 2.573 5.317 ( 1.456 0.000 0.341) 1.495 5.393 ( -0.107 0.000 -4.228) 4.229 5.402 ( -0.158 0.000 6.680) 6.682 5.479 ( -3.582 0.000 3.272) 4.851 5.584 ( -14.538 0.000 -6.571) 15.954 5.590 ( -10.342 0.000 5.824) 11.869 5.693 ( -2.408 0.000 -0.164) 2.414 5.825 ( 1.497 0.000 -9.536) 9.653 5.948 ( 0.840 0.000 5.443) 5.507 6.078 ( -4.916 0.000 0.436) 4.936 6.232 ( -1.377 0.000 4.568) 4.771 6.362 ( -4.745 0.000 -6.965) 8.428 6.387 ( -1.587 0.000 -2.946) 3.346 6.567 ( 7.707 0.000 12.987) 15.102 6.627 ( 1.261 0.000 0.867) 1.530 7.023 ( 2.142 0.000 1.428) 2.574 7.071 ( 2.536 0.000 1.797) 3.108 7.461 ( -8.345 0.000 -12.315) 14.876 7.647 ( 2.358 0.000 -9.605) 9.890 7.742 ( 4.056 0.000 -9.104) 9.967 7.756 ( 1.385 0.000 -2.990) 3.295 8.029 ( 3.614 0.000 -1.984) 4.122 8.042 ( 5.701 0.000 -6.796) 8.871 8.147 ( 0.116 0.000 -5.987) 5.988 8.165 ( 1.405 0.000 -7.378) 7.510 8.411 ( -5.865 0.000 1.069) 5.961 8.537 ( -1.486 0.000 6.252) 6.426 8.668 ( 0.054 0.000 -4.581) 4.581 8.758 ( 0.680 0.000 6.011) 6.049 8.771 ( 1.905 0.000 2.759) 3.353 8.841 ( 0.628 0.000 -6.940) 6.969 8.957 ( 5.419 0.000 0.141) 5.420 9.131 ( 2.166 0.000 -1.532) 2.653 9.243 ( -2.559 0.000 0.238) 2.570 9.534 ( -5.326 0.000 3.078) 6.152 9.652 ( -2.559 0.000 2.986) 3.933 9.817 ( -0.767 0.000 0.612) 0.982 9.849 ( 2.343 0.000 -1.897) 3.015 10.124 ( -5.455 0.000 9.485) 10.941 10.219 ( -2.189 0.000 -2.106) 3.038 10.301 ( 1.878 0.000 -0.019) 1.878 10.444 ( -1.769 0.000 1.579) 2.371 10.642 ( 3.008 0.000 1.717) 3.463 10.763 ( 0.237 0.000 5.042) 5.048 10.922 ( -0.189 0.000 3.009) 3.015 11.100 ( 5.176 0.000 1.677) 5.441 11.414 ( 6.844 0.000 9.386) 11.616 11.586 ( 7.537 0.000 15.127) 16.901 11.788 ( -0.673 0.000 4.409) 4.460 11.938 ( 5.012 0.000 0.548) 5.042 12.075 ( -2.058 0.000 -0.080) 2.060 12.270 ( -9.380 0.000 -5.728) 10.991 12.495 ( 2.458 0.000 4.788) 5.382 12.724 ( 2.245 0.000 -5.582) 6.017 12.757 ( 2.658 0.000 -0.140) 2.661 12.893 ( 2.245 0.000 -6.757) 7.120 13.229 ( -4.920 0.000 3.930) 6.297 13.576 ( -2.229 0.000 3.599) 4.233 13.673 ( -7.771 0.000 -0.332) 7.778 14.178 ( -3.600 0.000 6.677) 7.586 14.268 ( 1.625 0.000 -3.857) 4.185 14.419 ( -2.236 0.000 3.130) 3.847 14.980 ( -1.459 0.000 1.218) 1.901 15.548 ( 9.582 0.000 1.417) 9.687 16.393 ( -7.368 0.000 -8.779) 11.462 16.861 ( 1.847 0.000 -10.643) 10.802 ======================= Grid point 48 (19/111) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 4.858 0.000 5.827) 7.587 1.794 ( 13.737 0.000 12.235) 18.396 1.810 ( 7.733 0.000 0.169) 7.735 2.293 ( 8.275 0.000 0.813) 8.315 2.333 ( -11.902 0.000 2.580) 12.178 2.836 ( -13.862 0.000 1.573) 13.951 2.953 ( 0.450 0.000 -2.230) 2.275 3.084 ( 5.540 0.000 -6.765) 8.744 3.188 ( 1.603 0.000 -3.711) 4.042 3.381 ( -3.932 0.000 -3.166) 5.048 3.413 ( 1.957 0.000 -8.139) 8.371 3.536 ( -3.191 0.000 1.808) 3.668 3.589 ( 2.225 0.000 4.550) 5.065 3.639 ( 18.554 0.000 4.395) 19.068 3.719 ( 6.981 0.000 0.367) 6.990 3.840 ( 6.477 0.000 3.588) 7.404 3.853 ( 0.360 0.000 5.531) 5.542 3.907 ( 7.520 0.000 -1.166) 7.609 4.038 ( -0.473 0.000 -0.332) 0.577 4.294 ( 2.076 0.000 2.293) 3.093 4.395 ( 3.832 0.000 -10.762) 11.424 4.446 ( -5.971 0.000 4.421) 7.430 4.610 ( -11.793 0.000 2.114) 11.981 4.644 ( 3.491 0.000 -0.409) 3.515 4.672 ( -6.349 0.000 -1.167) 6.456 4.711 ( 6.223 0.000 0.824) 6.278 4.730 ( -1.031 0.000 -2.718) 2.907 4.959 ( -9.542 0.000 2.765) 9.935 5.087 ( 1.088 0.000 -5.889) 5.989 5.140 ( -18.500 0.000 -3.456) 18.820 5.231 ( -1.979 0.000 1.551) 2.514 5.291 ( -14.132 0.000 1.354) 14.197 5.316 ( -3.178 0.000 3.786) 4.943 5.420 ( -5.476 0.000 7.805) 9.534 5.477 ( 3.357 0.000 2.099) 3.959 5.571 ( 5.329 0.000 3.374) 6.307 5.687 ( 1.915 0.000 -1.765) 2.605 5.862 ( 5.684 0.000 -6.072) 8.317 5.956 ( -5.229 0.000 0.954) 5.315 5.958 ( -2.639 0.000 -1.751) 3.167 6.189 ( -4.165 0.000 -5.475) 6.879 6.293 ( -1.541 0.000 8.936) 9.068 6.366 ( 0.879 0.000 4.437) 4.523 6.662 ( 0.981 0.000 1.998) 2.226 6.811 ( 5.665 0.000 6.693) 8.768 7.004 ( -0.727 0.000 -6.323) 6.364 7.175 ( 2.676 0.000 6.216) 6.768 7.183 ( -7.184 0.000 -11.162) 13.274 7.638 ( 3.359 0.000 -6.372) 7.203 7.779 ( 5.499 0.000 -4.232) 6.939 7.786 ( 4.119 0.000 -1.300) 4.320 8.076 ( 1.054 0.000 1.496) 1.831 8.093 ( 5.012 0.000 -14.441) 15.286 8.110 ( 2.731 0.000 -8.780) 9.195 8.115 ( 2.754 0.000 -3.980) 4.840 8.346 ( -1.175 0.000 1.314) 1.763 8.574 ( 0.036 0.000 4.436) 4.436 8.646 ( 0.431 0.000 -1.087) 1.169 8.790 ( 0.899 0.000 -2.861) 2.999 8.798 ( -1.273 0.000 3.068) 3.322 8.802 ( -4.701 0.000 8.497) 9.711 9.077 ( 4.739 0.000 1.858) 5.090 9.192 ( -0.513 0.000 -2.777) 2.824 9.201 ( 6.085 0.000 -2.142) 6.452 9.458 ( -7.556 0.000 7.439) 10.604 9.624 ( -3.102 0.000 2.491) 3.978 9.811 ( 0.288 0.000 -0.498) 0.576 9.826 ( -2.865 0.000 -2.031) 3.512 10.114 ( -2.537 0.000 4.468) 5.138 10.185 ( 0.721 0.000 0.143) 0.735 10.336 ( 1.819 0.000 -0.834) 2.001 10.404 ( -2.896 0.000 0.664) 2.971 10.696 ( 1.739 0.000 0.386) 1.782 10.798 ( -1.512 0.000 5.593) 5.794 10.914 ( -2.400 0.000 1.864) 3.039 11.185 ( 3.012 0.000 -0.589) 3.069 11.608 ( 3.349 0.000 11.474) 11.953 11.787 ( 0.840 0.000 2.118) 2.279 11.861 ( 2.432 0.000 4.187) 4.843 11.938 ( 0.705 0.000 0.803) 1.069 12.060 ( -6.245 0.000 -3.882) 7.354 12.120 ( 1.266 0.000 4.699) 4.867 12.513 ( -0.185 0.000 -2.660) 2.666 12.808 ( 0.619 0.000 2.874) 2.940 12.835 ( 9.843 0.000 -0.617) 9.862 12.879 ( 2.702 0.000 -7.044) 7.544 13.196 ( -2.274 0.000 5.769) 6.201 13.449 ( -13.404 0.000 2.423) 13.621 13.592 ( -0.069 0.000 0.287) 0.295 14.185 ( -1.165 0.000 4.988) 5.123 14.268 ( 1.841 0.000 -3.892) 4.306 14.396 ( -2.235 0.000 2.175) 3.119 14.957 ( -0.864 0.000 -0.939) 1.276 15.679 ( 4.483 0.000 -3.013) 5.401 16.212 ( -3.793 0.000 -6.330) 7.380 16.791 ( 1.004 0.000 -11.362) 11.406 ======================= Grid point 49 (20/111) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 1.432 0.000 5.275) 5.466 1.887 ( -13.363 0.000 1.386) 13.435 1.968 ( 4.487 0.000 4.498) 6.354 2.166 ( -8.747 0.000 1.994) 8.972 2.432 ( 9.677 0.000 0.940) 9.722 2.691 ( -7.605 0.000 5.555) 9.418 2.923 ( -0.951 0.000 -6.352) 6.422 3.034 ( 1.037 0.000 -10.266) 10.319 3.277 ( 4.732 0.000 0.853) 4.808 3.303 ( 3.081 0.000 -6.640) 7.320 3.379 ( 0.589 0.000 -6.352) 6.379 3.469 ( -6.033 0.000 1.009) 6.117 3.661 ( 1.352 0.000 1.012) 1.689 3.746 ( -6.359 0.000 -3.352) 7.188 3.777 ( 3.346 0.000 -5.871) 6.757 3.808 ( -0.166 0.000 0.473) 0.501 3.946 ( 0.295 0.000 -1.276) 1.310 3.984 ( -21.772 0.000 -2.275) 21.891 4.049 ( 2.662 0.000 -5.794) 6.376 4.215 ( 5.403 0.000 -1.152) 5.524 4.338 ( -0.339 0.000 3.510) 3.527 4.404 ( 5.296 0.000 -5.382) 7.551 4.473 ( -2.555 0.000 0.884) 2.704 4.541 ( -2.259 0.000 -4.478) 5.016 4.662 ( -0.020 0.000 -3.042) 3.042 4.792 ( -5.565 0.000 3.709) 6.688 4.863 ( 0.163 0.000 5.446) 5.448 4.907 ( -3.823 0.000 -2.619) 4.633 4.932 ( 6.371 0.000 0.556) 6.395 5.001 ( 1.082 0.000 -0.175) 1.096 5.091 ( 3.851 0.000 -4.296) 5.769 5.234 ( -2.740 0.000 2.161) 3.489 5.286 ( -3.185 0.000 4.534) 5.541 5.368 ( -6.120 0.000 5.052) 7.936 5.586 ( 3.517 0.000 2.416) 4.267 5.617 ( 0.539 0.000 -1.026) 1.159 5.777 ( 3.312 0.000 6.138) 6.975 5.826 ( -0.224 0.000 -4.293) 4.299 5.854 ( -3.240 0.000 -4.908) 5.881 5.969 ( 1.178 0.000 0.653) 1.347 6.115 ( -0.428 0.000 -0.891) 0.989 6.376 ( 2.118 0.000 9.890) 10.114 6.475 ( 2.210 0.000 10.243) 10.479 6.693 ( -0.290 0.000 3.351) 3.364 6.750 ( -8.430 0.000 -7.929) 11.574 6.922 ( -0.136 0.000 -8.728) 8.729 7.155 ( 8.613 0.000 -3.538) 9.311 7.241 ( -1.020 0.000 4.031) 4.158 7.662 ( 2.870 0.000 -2.077) 3.543 7.859 ( 3.627 0.000 -0.084) 3.628 7.876 ( 4.075 0.000 1.463) 4.329 8.035 ( 2.564 0.000 -10.603) 10.908 8.086 ( 2.696 0.000 -7.385) 7.862 8.133 ( 1.732 0.000 4.885) 5.183 8.173 ( 6.119 0.000 -7.318) 9.539 8.394 ( 4.683 0.000 1.065) 4.803 8.590 ( 0.242 0.000 -2.461) 2.473 8.666 ( 1.434 0.000 1.171) 1.851 8.780 ( -7.594 0.000 13.763) 15.719 8.790 ( -4.683 0.000 9.083) 10.220 8.794 ( 3.853 0.000 -4.799) 6.154 9.099 ( -0.633 0.000 -0.812) 1.029 9.254 ( 6.286 0.000 -1.715) 6.516 9.283 ( 2.370 0.000 -1.558) 2.836 9.366 ( -8.359 0.000 9.511) 12.663 9.566 ( -3.294 0.000 0.849) 3.402 9.765 ( -1.028 0.000 -0.576) 1.178 9.820 ( 0.940 0.000 -0.548) 1.088 10.088 ( -1.201 0.000 -0.901) 1.502 10.236 ( 1.460 0.000 3.798) 4.069 10.336 ( -0.347 0.000 -3.969) 3.984 10.370 ( -0.850 0.000 1.758) 1.952 10.713 ( -0.193 0.000 -0.141) 0.239 10.792 ( -4.571 0.000 6.203) 7.705 10.880 ( -1.127 0.000 -0.621) 1.287 11.200 ( -0.380 0.000 -2.307) 2.338 11.635 ( -8.351 0.000 -9.733) 12.825 11.670 ( -7.106 0.000 1.638) 7.292 11.854 ( -0.673 0.000 6.486) 6.520 12.024 ( -0.096 0.000 1.228) 1.232 12.105 ( 6.117 0.000 7.319) 9.538 12.148 ( -0.353 0.000 6.757) 6.766 12.473 ( -0.965 0.000 -5.195) 5.284 12.828 ( -0.641 0.000 2.535) 2.615 12.877 ( 1.939 0.000 -5.118) 5.473 13.007 ( 5.070 0.000 0.265) 5.077 13.234 ( -0.410 0.000 8.192) 8.202 13.236 ( -6.502 0.000 1.180) 6.608 13.597 ( 0.043 0.000 0.669) 0.670 14.206 ( -1.338 0.000 5.160) 5.330 14.272 ( 1.969 0.000 -4.076) 4.527 14.375 ( -1.513 0.000 1.504) 2.133 14.935 ( 0.060 0.000 -2.243) 2.244 15.670 ( -0.998 0.000 -7.134) 7.203 16.164 ( 3.796 0.000 -4.177) 5.644 16.712 ( 2.241 0.000 -14.819) 14.987 ======================= Grid point 50 (21/111) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -23.327 0.000 -1.026) 23.350 1.684 ( -23.119 0.000 8.607) 24.669 2.097 ( 2.216 0.000 5.786) 6.196 2.228 ( 17.066 0.000 -3.163) 17.356 2.438 ( -14.534 0.000 6.634) 15.977 2.657 ( -18.725 0.000 -17.570) 25.677 2.677 ( 5.489 0.000 -7.901) 9.621 2.962 ( -1.040 0.000 -7.408) 7.481 3.168 ( -23.849 0.000 0.419) 23.852 3.230 ( -13.368 0.000 -9.490) 16.394 3.340 ( -4.646 0.000 -6.721) 8.171 3.412 ( -1.930 0.000 -2.075) 2.834 3.419 ( 10.725 0.000 -3.863) 11.400 3.610 ( -7.439 0.000 2.126) 7.737 3.762 ( -1.677 0.000 -4.041) 4.375 3.810 ( 3.943 0.000 6.176) 7.328 3.834 ( 4.885 0.000 1.171) 5.024 3.907 ( 1.964 0.000 -4.674) 5.070 4.149 ( 7.603 0.000 -2.150) 7.901 4.226 ( -7.191 0.000 -2.715) 7.686 4.339 ( -0.747 0.000 4.202) 4.268 4.384 ( -2.097 0.000 -0.813) 2.249 4.576 ( 7.069 0.000 3.508) 7.892 4.577 ( 5.217 0.000 -6.035) 7.977 4.679 ( -6.682 0.000 0.094) 6.682 4.679 ( 5.590 0.000 -2.798) 6.251 4.754 ( -0.721 0.000 -2.899) 2.987 4.832 ( -3.221 0.000 2.806) 4.272 5.106 ( 4.992 0.000 -9.537) 10.764 5.146 ( 7.474 0.000 -2.077) 7.757 5.175 ( 2.915 0.000 0.743) 3.008 5.248 ( 9.465 0.000 -0.241) 9.468 5.258 ( -4.354 0.000 -1.849) 4.730 5.308 ( 0.509 0.000 2.287) 2.343 5.607 ( -2.003 0.000 1.379) 2.432 5.648 ( 1.201 0.000 3.435) 3.639 5.796 ( -1.188 0.000 4.362) 4.521 5.864 ( 0.133 0.000 5.165) 5.167 5.874 ( 6.322 0.000 -0.244) 6.327 5.980 ( 1.145 0.000 -2.923) 3.140 6.120 ( 0.494 0.000 2.584) 2.631 6.511 ( 3.795 0.000 4.183) 5.648 6.517 ( -7.278 0.000 -2.612) 7.733 6.593 ( -0.349 0.000 7.560) 7.568 6.706 ( -1.749 0.000 4.517) 4.844 6.884 ( 2.723 0.000 -5.171) 5.844 7.204 ( -4.495 0.000 1.384) 4.703 7.310 ( 11.019 0.000 -7.229) 13.178 7.711 ( 2.118 0.000 1.454) 2.569 7.880 ( 1.718 0.000 -6.519) 6.742 7.972 ( 4.920 0.000 2.497) 5.518 8.025 ( 2.002 0.000 -4.282) 4.726 8.071 ( 2.650 0.000 -7.957) 8.387 8.219 ( 3.635 0.000 -4.333) 5.656 8.223 ( 2.051 0.000 5.070) 5.470 8.514 ( 6.043 0.000 0.171) 6.045 8.532 ( -0.766 0.000 -9.518) 9.549 8.713 ( 1.427 0.000 2.235) 2.652 8.742 ( -8.323 0.000 13.380) 15.758 8.772 ( -6.580 0.000 12.501) 14.127 8.880 ( 6.933 0.000 1.297) 7.054 9.096 ( -0.311 0.000 0.851) 0.906 9.250 ( -4.926 0.000 6.335) 8.025 9.257 ( -2.257 0.000 0.320) 2.279 9.431 ( 6.846 0.000 3.435) 7.660 9.564 ( 1.092 0.000 2.128) 2.392 9.775 ( 1.837 0.000 0.107) 1.841 9.833 ( 0.569 0.000 -0.009) 0.569 10.058 ( -1.698 0.000 0.578) 1.794 10.283 ( 0.607 0.000 1.982) 2.073 10.284 ( -1.250 0.000 -4.497) 4.668 10.369 ( -0.224 0.000 -0.338) 0.406 10.676 ( -3.478 0.000 -1.761) 3.898 10.727 ( -5.800 0.000 2.777) 6.430 10.864 ( -0.455 0.000 -0.088) 0.463 11.122 ( -4.747 0.000 -4.775) 6.733 11.371 ( -9.638 0.000 -6.979) 11.899 11.445 ( -10.207 0.000 -8.245) 13.121 11.943 ( -3.865 0.000 -4.057) 5.603 11.964 ( -0.982 0.000 17.291) 17.319 12.226 ( -0.898 0.000 8.812) 8.857 12.314 ( 7.048 0.000 8.302) 10.890 12.371 ( -3.288 0.000 -5.229) 6.176 12.816 ( -2.525 0.000 1.797) 3.099 12.870 ( 2.658 0.000 -5.977) 6.541 12.986 ( -5.099 0.000 6.386) 8.172 13.299 ( 8.518 0.000 -2.128) 8.780 13.303 ( -0.565 0.000 9.197) 9.214 13.609 ( 0.830 0.000 0.694) 1.082 14.215 ( -2.624 0.000 5.707) 6.281 14.273 ( 1.888 0.000 -4.529) 4.907 14.366 ( -0.668 0.000 1.396) 1.548 14.924 ( 0.662 0.000 -1.952) 2.061 15.523 ( -6.221 0.000 -10.278) 12.014 16.284 ( 11.196 0.000 -3.057) 11.606 16.615 ( 3.229 0.000 -21.633) 21.873 ======================= Grid point 51 (22/111) ======================= q-point: (-0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -25.208 0.000 3.632) 25.468 1.214 ( -29.505 0.000 3.623) 29.727 1.823 ( -40.437 0.000 -10.873) 41.874 2.169 ( -17.783 0.000 7.894) 19.457 2.286 ( 8.856 0.000 4.734) 10.042 2.452 ( -20.130 0.000 -16.408) 25.970 2.635 ( 18.776 0.000 1.107) 18.809 2.738 ( -1.315 0.000 -14.959) 15.017 2.794 ( -13.906 0.000 -2.741) 14.174 3.071 ( -1.038 0.000 3.740) 3.881 3.261 ( 2.052 0.000 -5.724) 6.081 3.423 ( 0.395 0.000 -0.215) 0.449 3.486 ( -1.880 0.000 -3.602) 4.063 3.576 ( -1.215 0.000 2.615) 2.883 3.769 ( 5.494 0.000 0.828) 5.557 3.914 ( 2.416 0.000 -0.702) 2.515 3.949 ( 4.440 0.000 -3.515) 5.663 3.984 ( 6.422 0.000 6.192) 8.921 3.997 ( -9.890 0.000 -7.807) 12.600 4.129 ( -10.400 0.000 9.428) 14.037 4.340 ( -2.983 0.000 7.246) 7.836 4.465 ( 9.253 0.000 -7.965) 12.209 4.510 ( -5.855 0.000 -0.326) 5.864 4.612 ( 3.133 0.000 -2.491) 4.002 4.716 ( 2.477 0.000 6.627) 7.075 4.769 ( -0.343 0.000 -1.873) 1.905 4.822 ( 8.006 0.000 -7.096) 10.698 4.822 ( 5.879 0.000 0.021) 5.879 5.058 ( -1.570 0.000 -8.121) 8.272 5.138 ( -2.963 0.000 -10.402) 10.816 5.226 ( 4.224 0.000 1.651) 4.536 5.242 ( 5.052 0.000 -5.115) 7.190 5.359 ( 6.873 0.000 -5.267) 8.659 5.471 ( 11.414 0.000 -2.240) 11.632 5.590 ( -0.597 0.000 2.534) 2.604 5.689 ( -0.190 0.000 3.998) 4.003 5.834 ( -3.457 0.000 7.346) 8.119 5.914 ( 2.231 0.000 5.208) 5.666 5.927 ( -1.825 0.000 -2.176) 2.840 6.033 ( 7.358 0.000 -1.557) 7.521 6.200 ( 5.263 0.000 1.888) 5.591 6.404 ( -4.911 0.000 5.030) 7.029 6.562 ( 0.672 0.000 -0.960) 1.172 6.634 ( -2.145 0.000 6.588) 6.928 6.704 ( -2.130 0.000 3.176) 3.825 6.924 ( 2.345 0.000 0.441) 2.386 7.126 ( -3.684 0.000 1.582) 4.010 7.447 ( 10.200 0.000 -8.433) 13.235 7.755 ( 0.404 0.000 2.768) 2.797 7.854 ( 3.759 0.000 -10.175) 10.847 8.003 ( -1.779 0.000 -1.668) 2.438 8.035 ( 0.491 0.000 -3.132) 3.170 8.139 ( 9.814 0.000 -2.914) 10.238 8.234 ( 1.405 0.000 -3.826) 4.075 8.280 ( 1.543 0.000 0.597) 1.655 8.419 ( -1.904 0.000 -8.534) 8.743 8.593 ( 1.970 0.000 -2.147) 2.914 8.692 ( -6.439 0.000 10.848) 12.615 8.712 ( -7.715 0.000 8.399) 11.404 8.765 ( 0.039 0.000 1.927) 1.927 9.077 ( 8.454 0.000 7.212) 11.113 9.091 ( -1.934 0.000 4.342) 4.753 9.254 ( -0.470 0.000 4.817) 4.840 9.277 ( 1.616 0.000 7.131) 7.311 9.610 ( 0.537 0.000 4.725) 4.756 9.622 ( 8.460 0.000 6.459) 10.644 9.812 ( 1.408 0.000 -1.156) 1.822 9.840 ( -0.007 0.000 0.179) 0.179 10.039 ( -1.422 0.000 3.021) 3.339 10.185 ( -3.873 0.000 -9.676) 10.422 10.288 ( -0.581 0.000 -1.433) 1.546 10.356 ( -0.500 0.000 -0.858) 0.994 10.532 ( -6.990 0.000 -4.922) 8.549 10.612 ( -5.761 0.000 -4.150) 7.100 10.846 ( -1.616 0.000 -0.532) 1.702 10.984 ( -4.515 0.000 -1.647) 4.806 11.188 ( -8.221 0.000 -6.255) 10.331 11.193 ( -6.349 0.000 0.894) 6.412 11.849 ( -2.669 0.000 -2.837) 3.895 12.033 ( -4.162 0.000 3.895) 5.700 12.235 ( -4.386 0.000 5.848) 7.310 12.328 ( 0.231 0.000 20.395) 20.396 12.572 ( 8.942 0.000 10.001) 13.416 12.784 ( -1.137 0.000 -0.204) 1.155 12.878 ( 3.267 0.000 -5.872) 6.720 12.980 ( -2.029 0.000 6.729) 7.029 13.356 ( -2.035 0.000 8.615) 8.852 13.442 ( 6.222 0.000 3.156) 6.977 13.655 ( 3.653 0.000 0.487) 3.685 14.200 ( -3.922 0.000 5.733) 6.946 14.269 ( 1.894 0.000 -4.843) 5.200 14.371 ( -0.224 0.000 1.838) 1.852 14.930 ( 1.045 0.000 -0.466) 1.145 15.272 ( -9.485 0.000 -10.843) 14.406 16.423 ( 0.117 0.000 -36.053) 36.053 16.507 ( 13.635 0.000 -3.888) 14.179 ======================= Grid point 52 (23/111) ======================= q-point: (-0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -22.974 0.000 15.288) 27.596 0.632 ( -28.677 0.000 5.861) 29.270 1.045 ( -38.892 0.000 23.675) 45.531 1.898 ( -17.671 0.000 7.953) 19.378 2.032 ( -7.687 0.000 -1.028) 7.756 2.427 ( -6.343 0.000 4.741) 7.919 2.665 ( 11.325 0.000 -7.663) 13.674 2.666 ( 5.064 0.000 -13.450) 14.372 2.985 ( 15.606 0.000 -0.515) 15.614 3.072 ( -1.504 0.000 4.577) 4.817 3.312 ( 4.307 0.000 0.162) 4.310 3.412 ( -1.616 0.000 -1.841) 2.450 3.423 ( 0.482 0.000 -1.400) 1.481 3.529 ( -5.247 0.000 2.914) 6.002 3.645 ( -15.962 0.000 -2.613) 16.174 3.869 ( -4.940 0.000 -3.853) 6.265 3.954 ( 4.013 0.000 -0.357) 4.029 4.008 ( -7.989 0.000 11.583) 14.071 4.016 ( 6.071 0.000 -3.013) 6.778 4.142 ( 4.699 0.000 -3.138) 5.651 4.404 ( 3.210 0.000 7.922) 8.548 4.419 ( -2.656 0.000 -6.073) 6.629 4.471 ( -0.098 0.000 1.691) 1.694 4.715 ( -0.409 0.000 -2.657) 2.689 4.756 ( 9.075 0.000 -0.322) 9.081 4.794 ( -0.638 0.000 4.836) 4.878 4.895 ( -3.094 0.000 -2.688) 4.099 4.906 ( 5.129 0.000 -2.149) 5.561 4.949 ( -6.124 0.000 -7.723) 9.856 4.984 ( 4.345 0.000 -0.579) 4.384 5.299 ( 5.758 0.000 -6.441) 8.639 5.375 ( 9.219 0.000 0.083) 9.220 5.463 ( 6.332 0.000 -3.250) 7.117 5.586 ( 2.932 0.000 -0.584) 2.990 5.659 ( 4.703 0.000 -0.815) 4.773 5.710 ( -0.174 0.000 2.209) 2.216 5.802 ( -4.157 0.000 5.213) 6.668 5.852 ( -2.948 0.000 -3.103) 4.280 5.990 ( 1.973 0.000 1.520) 2.491 6.120 ( 3.746 0.000 -5.599) 6.736 6.320 ( 4.839 0.000 1.493) 5.064 6.347 ( -8.268 0.000 3.090) 8.827 6.558 ( -0.424 0.000 1.018) 1.103 6.629 ( -3.546 0.000 5.513) 6.555 6.675 ( -2.193 0.000 0.158) 2.199 6.920 ( -2.495 0.000 -0.977) 2.680 7.124 ( 0.148 0.000 3.342) 3.345 7.570 ( 7.748 0.000 -4.534) 8.977 7.775 ( -0.623 0.000 2.316) 2.398 7.860 ( 2.306 0.000 -4.884) 5.401 7.951 ( 0.680 0.000 -4.888) 4.935 8.035 ( 4.729 0.000 -6.474) 8.017 8.197 ( 1.283 0.000 -9.492) 9.578 8.244 ( 2.570 0.000 -4.424) 5.117 8.312 ( 0.470 0.000 -2.343) 2.390 8.377 ( 0.596 0.000 3.160) 3.216 8.541 ( -4.698 0.000 1.024) 4.808 8.586 ( -8.977 0.000 3.678) 9.701 8.716 ( 2.563 0.000 1.807) 3.137 8.775 ( 0.492 0.000 -1.421) 1.504 9.081 ( -2.985 0.000 2.112) 3.657 9.226 ( 1.369 0.000 1.080) 1.744 9.285 ( -0.373 0.000 3.742) 3.760 9.371 ( -5.083 0.000 -5.207) 7.277 9.652 ( -1.435 0.000 3.936) 4.189 9.827 ( 2.808 0.000 4.231) 5.078 9.832 ( -0.773 0.000 -0.923) 1.204 9.857 ( 6.279 0.000 6.973) 9.384 9.991 ( -3.123 0.000 -6.460) 7.175 10.051 ( 0.018 0.000 2.148) 2.148 10.238 ( 0.578 0.000 -2.422) 2.490 10.333 ( -0.421 0.000 -2.405) 2.442 10.418 ( -2.061 0.000 -0.038) 2.061 10.458 ( -4.176 0.000 -1.650) 4.490 10.797 ( -1.603 0.000 -1.137) 1.965 10.918 ( -2.710 0.000 0.803) 2.827 11.075 ( -2.461 0.000 3.102) 3.959 11.130 ( -3.327 0.000 6.418) 7.229 11.792 ( -1.280 0.000 -1.411) 1.904 11.951 ( -2.774 0.000 -0.188) 2.781 12.183 ( -4.230 0.000 3.382) 5.416 12.669 ( 7.553 0.000 11.332) 13.618 12.766 ( -0.054 0.000 -1.836) 1.837 12.848 ( 10.450 0.000 9.840) 14.354 12.895 ( 3.554 0.000 -5.956) 6.936 13.006 ( -0.499 0.000 5.951) 5.972 13.368 ( -3.619 0.000 7.319) 8.165 13.739 ( 3.644 0.000 -0.878) 3.749 13.847 ( 33.178 0.000 55.657) 64.796 14.166 ( -3.643 0.000 5.378) 6.496 14.266 ( 1.979 0.000 -4.656) 5.059 14.388 ( -0.118 0.000 2.899) 2.901 14.953 ( 0.795 0.000 1.253) 1.484 15.033 ( -5.479 0.000 -5.829) 8.000 15.809 ( -29.438 0.000 -58.597) 65.576 16.698 ( 9.606 0.000 -6.662) 11.690 ======================= Grid point 53 (24/111) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -0.001 19.101 16.798) 25.437 0.861 ( 0.301 18.984 21.497) 28.681 1.400 ( 6.413 27.641 34.631) 44.771 1.580 ( -4.212 -13.591 8.952) 16.811 1.772 ( 4.457 -20.984 11.069) 24.140 2.523 ( 1.602 1.131 0.547) 2.036 2.636 ( 5.290 -6.405 0.815) 8.347 2.753 ( 7.269 0.104 -5.492) 9.111 3.145 ( 1.972 0.870 1.649) 2.714 3.265 ( 5.944 -1.692 -4.220) 7.483 3.308 ( -5.807 3.487 1.044) 6.853 3.389 ( 1.317 2.437 -1.837) 3.324 3.463 ( 0.966 3.892 4.220) 5.821 3.499 ( 6.412 3.096 1.589) 7.295 3.520 ( -2.171 2.427 -0.803) 3.354 3.730 ( -4.464 -0.095 -1.523) 4.717 3.912 ( -0.092 -1.738 0.376) 1.780 3.943 ( -6.428 -2.408 0.711) 6.901 4.141 ( 3.923 0.310 -1.045) 4.071 4.162 ( -2.885 -1.910 -4.499) 5.676 4.350 ( -1.393 -2.824 1.612) 3.538 4.377 ( 6.027 2.440 1.435) 6.658 4.450 ( -1.396 -4.990 1.803) 5.487 4.651 ( -0.506 -3.822 0.399) 3.876 4.790 ( -0.953 1.130 -3.869) 4.142 4.820 ( 1.222 -3.563 2.802) 4.694 4.891 ( 3.037 1.782 0.610) 3.574 4.979 ( 3.895 -2.761 1.025) 4.883 5.057 ( 0.365 -3.379 3.467) 4.855 5.181 ( 2.420 -3.291 -7.435) 8.483 5.275 ( 4.381 5.499 3.798) 7.991 5.480 ( 2.675 -2.084 -3.927) 5.188 5.559 ( 5.767 1.121 2.994) 6.594 5.618 ( -2.371 3.450 -4.482) 6.133 5.672 ( -2.408 0.470 0.449) 2.494 5.749 ( 2.129 0.660 4.857) 5.344 5.842 ( -1.550 -3.746 -0.327) 4.067 5.855 ( 7.394 2.885 3.408) 8.637 5.947 ( -1.479 2.111 2.700) 3.733 6.108 ( -6.258 2.224 -1.668) 6.847 6.167 ( 0.568 4.358 -4.325) 6.166 6.328 ( -0.420 -5.057 -0.619) 5.112 6.551 ( -4.395 -1.243 1.556) 4.825 6.579 ( -3.653 -3.068 0.715) 4.824 6.706 ( -0.909 8.001 1.903) 8.274 6.924 ( -0.225 1.209 -6.589) 6.703 7.105 ( -1.343 0.258 1.719) 2.197 7.488 ( -0.137 -12.051 -1.433) 12.137 7.780 ( 1.066 4.965 -3.449) 6.139 7.836 ( -2.829 1.076 -0.262) 3.038 7.929 ( -12.802 -2.834 2.827) 13.413 8.033 ( 3.067 -0.130 -10.528) 10.966 8.106 ( 3.619 1.354 -6.259) 7.356 8.161 ( 0.342 -3.725 -7.242) 8.151 8.222 ( 2.234 4.084 -2.151) 5.128 8.398 ( 3.676 -2.482 1.455) 4.668 8.566 ( -3.688 3.798 4.512) 6.956 8.675 ( 3.153 5.574 0.825) 6.457 8.761 ( -3.205 -0.563 3.350) 4.670 8.779 ( -5.459 -0.734 -3.540) 6.547 8.863 ( 3.700 3.039 -3.516) 5.941 9.019 ( -4.691 1.733 -3.166) 5.919 9.152 ( -3.208 -3.417 -3.714) 5.980 9.318 ( -1.714 -5.305 -4.871) 7.403 9.679 ( -3.294 1.256 -0.871) 3.631 9.748 ( -2.285 -0.201 -1.153) 2.567 9.840 ( -3.213 1.878 -1.892) 4.175 9.847 ( -3.835 -0.570 -1.407) 4.124 10.124 ( 3.066 -0.042 3.793) 4.878 10.229 ( 7.920 -1.234 7.518) 10.990 10.281 ( 0.807 2.110 1.323) 2.618 10.404 ( 0.745 -0.852 -0.719) 1.340 10.459 ( 0.668 9.090 4.164) 10.021 10.660 ( 7.935 5.899 3.720) 10.564 10.739 ( 2.930 -2.741 10.866) 11.583 10.853 ( -2.652 2.456 2.457) 4.371 11.091 ( -0.238 -2.052 5.525) 5.899 11.121 ( 1.250 -5.336 11.647) 12.872 11.717 ( 0.739 -4.830 1.806) 5.209 11.853 ( 2.034 -11.746 9.805) 15.435 12.172 ( -3.316 7.096 0.321) 7.839 12.451 ( -10.942 -4.175 -1.124) 11.765 12.689 ( -5.579 -4.945 -0.595) 7.479 12.783 ( -3.685 -5.014 3.271) 7.029 12.853 ( -1.745 -3.067 -3.110) 4.704 12.948 ( -7.005 -6.632 2.899) 10.073 13.117 ( 2.215 7.950 -6.396) 10.441 13.498 ( -0.743 -9.916 -0.908) 9.986 13.812 ( -3.648 7.157 2.597) 8.442 14.140 ( -2.117 -6.766 8.965) 11.429 14.448 ( 0.247 4.514 5.805) 7.358 14.634 ( -0.213 -1.341 1.109) 1.753 15.106 ( 6.314 5.341 2.383) 8.607 15.243 ( -4.310 5.434 -5.652) 8.947 16.487 ( 31.646 11.774 -18.870) 38.681 16.717 ( 2.379 -2.063 -10.622) 11.079 ======================= Grid point 54 (25/111) ======================= q-point: ( 0.12 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 10.841 12.922 18.904) 25.335 1.063 ( 8.803 15.936 13.707) 22.789 1.676 ( 6.746 -11.772 7.653) 15.578 1.852 ( 0.898 -14.993 -1.240) 15.070 2.148 ( 26.921 9.991 32.306) 43.223 2.723 ( 10.363 -9.179 4.662) 14.608 2.832 ( 13.172 6.490 13.898) 20.218 2.863 ( 6.805 2.304 -1.304) 7.302 3.053 ( -14.501 7.563 1.190) 16.397 3.214 ( 1.957 -0.695 4.181) 4.668 3.332 ( 1.618 -2.086 -5.780) 6.355 3.461 ( 2.610 1.162 -3.480) 4.502 3.503 ( 2.137 -0.241 1.520) 2.633 3.529 ( 1.071 3.645 5.600) 6.767 3.590 ( -0.663 2.918 -1.317) 3.270 3.680 ( 3.645 3.204 -0.348) 4.865 3.758 ( -4.904 -2.217 -5.299) 7.553 3.905 ( -0.881 1.232 -1.362) 2.037 4.117 ( -1.742 -0.558 2.886) 3.417 4.214 ( 4.233 -2.396 -2.197) 5.337 4.314 ( -1.142 0.848 -3.362) 3.650 4.435 ( -0.988 0.746 1.179) 1.709 4.511 ( 2.931 -0.352 2.819) 4.082 4.624 ( -0.491 -0.234 1.527) 1.621 4.791 ( -0.258 -2.239 2.476) 3.348 4.826 ( -0.084 -8.382 -5.185) 9.856 4.953 ( -3.301 -6.133 6.780) 9.720 5.016 ( -4.000 -3.041 3.055) 5.881 5.045 ( -0.418 -3.190 4.360) 5.419 5.175 ( 3.658 -5.754 -7.104) 9.847 5.270 ( -4.085 1.226 -2.470) 4.929 5.419 ( -3.758 -3.980 -1.063) 5.577 5.569 ( 1.990 8.918 -2.467) 9.464 5.615 ( -1.773 3.429 -3.390) 5.138 5.666 ( -1.412 2.599 4.281) 5.204 5.737 ( -3.711 2.429 -0.566) 4.471 5.885 ( 0.569 -1.293 6.212) 6.371 5.899 ( -7.972 2.775 0.403) 8.451 5.970 ( 0.296 -0.212 -3.091) 3.113 6.059 ( 2.538 1.166 3.174) 4.228 6.242 ( 5.971 0.553 4.585) 7.548 6.276 ( -2.402 -2.881 -2.457) 4.484 6.465 ( -3.030 -2.253 -2.134) 4.337 6.511 ( -3.806 -2.382 -0.132) 4.492 6.684 ( -1.677 8.846 1.297) 9.096 6.929 ( 3.652 -0.833 -0.593) 3.793 7.072 ( -1.657 1.298 0.088) 2.107 7.448 ( -0.521 -12.860 -5.580) 14.028 7.696 ( -2.860 -0.826 -5.730) 6.457 7.737 ( -6.094 -1.240 -4.286) 7.553 7.834 ( 2.299 4.079 -3.005) 5.564 8.012 ( 0.810 -0.014 -5.415) 5.475 8.088 ( 2.375 0.586 -8.056) 8.419 8.109 ( 2.092 -3.723 -7.065) 8.255 8.215 ( -0.795 5.813 -2.118) 6.238 8.484 ( 2.507 -1.996 -1.701) 3.628 8.541 ( -2.993 1.539 3.639) 4.956 8.660 ( -0.519 -3.330 0.596) 3.422 8.752 ( 0.114 3.080 -2.724) 4.114 8.797 ( 3.259 7.390 2.607) 8.487 8.864 ( 1.394 -0.116 -6.410) 6.561 8.948 ( -0.402 1.762 -0.146) 1.813 9.106 ( -0.163 -1.152 0.020) 1.163 9.267 ( -0.181 -3.452 -3.275) 4.762 9.580 ( -5.052 -0.766 -0.841) 5.178 9.730 ( 0.226 -0.800 -0.276) 0.876 9.760 ( -4.002 -1.084 2.397) 4.790 9.828 ( -0.606 0.486 1.084) 1.334 10.174 ( 0.315 2.003 1.718) 2.657 10.290 ( 0.617 1.612 -0.357) 1.762 10.318 ( -2.986 1.017 3.184) 4.482 10.408 ( 0.612 -3.746 1.573) 4.109 10.540 ( 1.988 5.197 5.604) 7.897 10.736 ( -0.873 -0.534 6.095) 6.181 10.882 ( 4.635 3.323 2.364) 6.174 10.996 ( 6.751 2.991 5.477) 9.194 11.199 ( 6.265 -0.888 11.493) 13.120 11.296 ( 6.020 -1.779 11.580) 13.172 11.788 ( 4.446 -2.511 3.553) 6.221 11.972 ( -1.395 4.480 0.955) 4.789 12.109 ( -0.656 -0.258 4.795) 4.846 12.298 ( -2.593 -1.996 3.543) 4.823 12.506 ( -10.746 -2.567 -2.089) 11.244 12.733 ( -0.780 -0.934 -3.123) 3.352 12.760 ( -3.013 -2.453 -5.633) 6.843 12.861 ( -2.046 -9.596 1.189) 9.883 13.135 ( 2.017 0.159 -5.705) 6.053 13.475 ( 0.013 -12.631 -3.392) 13.078 13.749 ( -4.598 9.252 4.003) 11.080 14.122 ( -6.704 -6.984 9.278) 13.409 14.467 ( -2.333 6.243 4.322) 7.944 14.632 ( -0.213 5.357 0.509) 5.386 15.140 ( -1.440 15.333 -2.342) 15.578 15.362 ( 12.545 4.312 3.593) 13.743 16.585 ( -5.603 -1.710 -10.740) 12.234 16.727 ( 8.197 -9.464 -11.479) 16.986 ======================= Grid point 55 (26/111) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 12.726 5.238 14.335) 19.872 1.477 ( 16.604 8.472 13.538) 23.038 1.787 ( -0.297 -8.390 -6.865) 10.845 1.938 ( 12.988 -9.211 5.782) 16.940 2.673 ( -8.703 4.390 -0.030) 9.747 2.843 ( 9.594 0.511 4.989) 10.825 2.900 ( 4.670 -4.173 2.514) 6.748 3.001 ( -5.388 -4.069 0.870) 6.808 3.227 ( 11.541 8.786 15.732) 21.398 3.272 ( 5.235 6.886 -5.664) 10.340 3.387 ( 5.648 -0.820 9.412) 11.007 3.437 ( -1.129 -1.969 -1.577) 2.764 3.483 ( 4.043 0.010 -4.212) 5.838 3.606 ( 3.552 4.379 4.150) 7.001 3.633 ( 6.614 -1.144 -0.144) 6.714 3.694 ( -1.581 5.584 3.439) 6.746 3.847 ( -2.453 4.861 -1.732) 5.714 3.867 ( 9.219 1.040 1.764) 9.444 4.124 ( 0.188 0.597 1.939) 2.038 4.232 ( 1.645 0.316 -0.993) 1.947 4.332 ( 5.267 -1.492 -5.872) 8.028 4.409 ( -1.488 -1.626 1.109) 2.468 4.564 ( 2.303 1.269 -0.381) 2.656 4.640 ( -1.908 -0.427 4.067) 4.512 4.764 ( -1.992 -9.957 -6.072) 11.831 4.784 ( -1.710 0.647 2.664) 3.232 4.825 ( -12.819 -3.526 6.594) 14.841 4.970 ( -3.543 -8.560 0.858) 9.304 5.012 ( -4.616 -3.804 2.384) 6.440 5.156 ( -3.298 -6.086 -0.674) 6.955 5.258 ( 3.943 -0.198 -0.072) 3.948 5.373 ( -0.620 -2.422 0.424) 2.536 5.492 ( -7.265 2.233 -1.099) 7.679 5.566 ( -12.723 0.477 -6.407) 14.253 5.617 ( 1.817 8.975 0.397) 9.165 5.648 ( -7.110 3.224 4.068) 8.803 5.712 ( -5.293 2.478 1.199) 5.966 5.904 ( 0.089 4.423 -5.609) 7.143 5.966 ( 0.872 2.032 4.888) 5.365 6.064 ( -4.255 -1.290 -0.589) 4.485 6.216 ( -1.417 -1.880 1.087) 2.593 6.278 ( -5.367 -4.218 -1.935) 7.095 6.445 ( 1.567 2.372 -0.129) 2.846 6.538 ( 4.879 -1.998 5.287) 7.466 6.704 ( 1.261 6.868 5.182) 8.695 7.002 ( 1.261 -2.348 2.294) 3.517 7.060 ( 1.116 0.009 -1.199) 1.638 7.355 ( -3.276 -10.064 -8.828) 13.782 7.579 ( -2.881 -2.840 -5.258) 6.634 7.651 ( 2.680 -5.201 -7.355) 9.398 7.864 ( 4.469 4.467 -5.453) 8.346 7.984 ( 0.655 -0.668 -4.662) 4.755 8.062 ( 3.577 0.103 -10.339) 10.941 8.121 ( 4.452 -0.361 -6.744) 8.089 8.190 ( 0.118 2.137 -2.375) 3.197 8.413 ( -3.119 0.400 -5.132) 6.019 8.559 ( -1.075 1.891 5.871) 6.261 8.664 ( -0.689 -0.487 -0.003) 0.844 8.753 ( 1.211 -1.246 0.839) 1.930 8.805 ( 0.929 -1.805 -5.997) 6.331 8.899 ( 0.041 7.236 5.547) 9.117 8.981 ( 3.272 0.415 1.604) 3.668 9.126 ( 1.491 1.845 0.973) 2.564 9.248 ( -0.280 -0.728 -1.223) 1.451 9.481 ( -5.420 -2.267 1.520) 6.068 9.711 ( -3.863 -0.259 3.703) 5.357 9.742 ( 1.610 -4.646 -2.135) 5.360 9.824 ( -0.551 0.914 0.566) 1.208 10.187 ( -0.175 3.000 2.075) 3.652 10.251 ( -4.584 2.511 1.364) 5.402 10.311 ( 1.377 0.924 0.063) 1.659 10.423 ( -0.681 -2.738 1.017) 2.999 10.613 ( 0.789 1.838 5.047) 5.429 10.778 ( -1.080 -0.495 7.182) 7.279 10.966 ( 2.318 3.680 0.875) 4.436 11.111 ( 3.886 -0.012 1.070) 4.031 11.443 ( 7.195 2.351 10.085) 12.610 11.551 ( 8.105 -2.258 12.457) 15.032 11.898 ( -1.085 6.660 0.165) 6.749 11.952 ( 5.149 3.107 6.509) 8.862 12.098 ( -2.733 1.541 -3.981) 5.069 12.293 ( -7.880 3.501 -2.002) 8.852 12.419 ( 6.327 -10.130 7.625) 14.170 12.641 ( -1.777 -0.214 -6.922) 7.150 12.742 ( 1.889 -2.845 -0.417) 3.441 12.862 ( -0.258 -12.406 3.499) 12.893 13.091 ( -0.492 0.172 -7.332) 7.350 13.426 ( -2.265 -12.831 -3.505) 13.492 13.711 ( -3.123 8.900 4.221) 10.333 14.061 ( -7.075 -6.349 8.576) 12.803 14.446 ( -2.247 6.826 1.756) 7.397 14.632 ( -0.023 6.757 -0.161) 6.759 15.095 ( -1.368 16.275 -1.801) 16.432 15.613 ( 10.969 3.132 0.240) 11.410 16.356 ( -8.530 -1.699 -8.737) 12.328 16.717 ( 1.208 -12.105 -8.806) 15.018 ======================= Grid point 56 (27/111) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 7.778 -2.248 8.793) 11.953 1.753 ( 4.899 -1.000 2.309) 5.508 1.896 ( 12.669 5.890 6.819) 15.547 2.220 ( 10.411 -6.204 2.762) 12.430 2.430 ( -11.784 7.279 2.174) 14.020 2.750 ( -12.679 -6.906 -0.624) 14.451 2.934 ( -2.772 -0.288 0.304) 2.803 3.036 ( 7.846 -3.900 -2.860) 9.216 3.240 ( 3.021 5.471 -7.804) 9.998 3.359 ( -0.839 -0.845 -4.263) 4.426 3.413 ( 1.675 -2.460 -4.342) 5.264 3.489 ( -2.508 -4.863 -0.859) 5.539 3.614 ( -1.143 4.794 -5.126) 7.111 3.706 ( 8.561 1.259 -2.714) 9.069 3.766 ( 10.475 6.338 6.578) 13.898 3.811 ( 1.752 0.155 1.450) 2.280 3.970 ( 11.215 7.479 9.110) 16.269 4.019 ( 3.657 6.993 6.187) 10.028 4.116 ( -1.616 5.687 -0.002) 5.912 4.283 ( 2.824 -2.143 -1.092) 3.710 4.346 ( -0.376 -1.206 -3.781) 3.986 4.470 ( 6.931 -4.696 1.098) 8.444 4.554 ( -8.570 1.556 -0.869) 8.754 4.596 ( -5.847 -2.077 -1.854) 6.476 4.634 ( -6.624 -0.983 2.377) 7.105 4.695 ( 1.215 -1.514 0.307) 1.966 4.784 ( 0.482 1.650 1.539) 2.308 4.890 ( -4.745 -5.111 1.415) 7.116 4.992 ( 2.389 -8.620 1.238) 9.030 5.112 ( -3.418 -8.485 4.576) 10.228 5.162 ( -17.002 2.107 -4.595) 17.738 5.273 ( -4.101 -0.233 -0.538) 4.143 5.280 ( -12.108 -1.310 1.169) 12.234 5.427 ( -3.148 -1.574 2.728) 4.453 5.537 ( 2.424 4.655 -0.466) 5.269 5.657 ( 0.749 0.284 -2.381) 2.512 5.702 ( 1.591 6.071 1.952) 6.572 5.919 ( 2.594 4.450 -4.915) 7.119 5.935 ( -2.704 -1.560 0.011) 3.122 5.984 ( -3.105 1.154 -1.954) 3.846 6.159 ( -3.443 -1.519 0.120) 3.765 6.227 ( -1.730 -3.306 7.756) 8.607 6.491 ( 1.298 7.383 4.039) 8.516 6.642 ( 1.964 -1.514 2.624) 3.611 6.810 ( 3.009 -0.254 4.052) 5.053 6.952 ( -3.631 -3.689 -7.180) 8.851 7.099 ( 1.745 -3.069 0.513) 3.567 7.219 ( -2.014 -0.239 -4.522) 4.956 7.545 ( 1.286 -4.982 -1.134) 5.268 7.690 ( 4.524 -8.805 -0.423) 9.908 7.917 ( 4.818 4.032 -4.049) 7.474 7.961 ( 2.952 2.762 -7.311) 8.355 8.044 ( 3.020 -1.260 -9.650) 10.189 8.171 ( 4.118 4.208 -7.060) 9.193 8.175 ( 3.518 -3.074 -2.907) 5.503 8.337 ( -0.167 1.359 -3.508) 3.765 8.593 ( -0.286 1.625 4.833) 5.107 8.649 ( -0.258 0.790 -0.194) 0.853 8.748 ( -2.507 -3.188 0.889) 4.152 8.801 ( -0.291 -0.946 1.976) 2.210 8.924 ( -1.068 7.481 4.780) 8.942 9.088 ( 5.697 -3.186 0.682) 6.563 9.169 ( 0.454 4.914 2.446) 5.508 9.226 ( -0.279 0.404 -0.686) 0.843 9.390 ( -6.676 -3.962 4.064) 8.763 9.671 ( -3.468 -0.379 3.673) 5.066 9.740 ( 0.443 -5.233 -3.280) 6.192 9.822 ( 0.702 0.843 -1.121) 1.568 10.179 ( -2.844 3.615 -0.937) 4.694 10.213 ( 0.330 2.887 3.441) 4.504 10.339 ( 1.610 0.463 -0.649) 1.797 10.402 ( -1.937 -0.625 0.526) 2.102 10.654 ( -0.658 0.071 4.182) 4.234 10.800 ( -2.917 -0.912 6.436) 7.125 10.991 ( 0.495 5.271 -0.724) 5.344 11.178 ( 2.593 -1.436 -0.408) 2.993 11.628 ( 2.575 1.810 8.338) 8.912 11.755 ( 2.683 -2.676 4.618) 5.974 11.893 ( -0.020 2.650 1.940) 3.284 12.006 ( -2.111 -1.087 -0.669) 2.467 12.064 ( 1.447 7.603 1.469) 7.877 12.190 ( -2.347 7.150 2.314) 7.873 12.569 ( -0.113 4.895 -2.695) 5.589 12.595 ( 6.377 -14.055 -1.239) 15.484 12.784 ( 1.002 -2.743 2.240) 3.681 12.891 ( -2.609 -19.309 5.777) 20.323 13.029 ( 2.507 4.837 -6.274) 8.310 13.342 ( -3.209 -9.172 -1.461) 9.826 13.694 ( -2.155 7.867 3.592) 8.913 14.003 ( -5.353 -6.425 6.579) 10.640 14.415 ( -1.518 6.109 -0.261) 6.301 14.628 ( 0.137 5.559 -1.090) 5.666 15.062 ( -0.348 17.009 -1.744) 17.101 15.788 ( 8.785 4.532 -3.605) 10.522 16.131 ( -7.501 -3.445 -6.665) 10.609 16.651 ( 0.587 -12.394 -10.115) 16.008 ======================= Grid point 57 (28/111) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -7.143 -2.108 1.440) 7.586 1.880 ( -1.962 -3.122 7.429) 8.294 2.117 ( 8.882 8.690 0.102) 12.427 2.197 ( -14.108 4.556 3.452) 15.222 2.428 ( 6.381 -1.124 3.120) 7.191 2.606 ( -4.258 -8.562 3.974) 10.355 2.848 ( -3.193 -0.146 -3.555) 4.781 3.099 ( 0.873 -3.584 -2.321) 4.358 3.291 ( 8.614 5.153 -8.039) 12.860 3.308 ( 0.535 1.738 -4.371) 4.734 3.404 ( 0.022 1.652 -5.625) 5.862 3.418 ( -2.087 -3.350 -4.607) 6.067 3.573 ( 1.412 -2.564 -3.792) 4.790 3.769 ( -4.338 -0.372 -3.120) 5.356 3.799 ( 1.348 0.707 -3.794) 4.088 3.905 ( -2.228 1.962 -2.965) 4.196 3.958 ( -2.536 5.172 -2.405) 6.242 4.047 ( -7.299 3.323 -4.462) 9.177 4.158 ( -12.385 7.642 1.629) 14.644 4.269 ( 2.867 0.695 -3.755) 4.775 4.318 ( -0.440 -1.005 -0.035) 1.098 4.344 ( 2.248 0.261 0.131) 2.267 4.446 ( -2.746 -6.279 -5.049) 8.512 4.532 ( 2.109 4.776 1.993) 5.589 4.622 ( -0.952 -0.796 0.734) 1.441 4.720 ( -3.822 -6.180 3.714) 8.161 4.839 ( -7.216 1.479 0.801) 7.409 4.908 ( 6.155 -1.784 -0.024) 6.409 4.988 ( 8.028 -0.385 1.861) 8.250 5.049 ( 2.684 -5.969 1.448) 6.703 5.071 ( -3.293 -0.498 1.226) 3.549 5.144 ( 0.948 -3.507 0.195) 3.638 5.187 ( -5.091 -1.043 4.593) 6.936 5.359 ( -4.416 0.282 0.804) 4.498 5.620 ( 2.805 1.195 -2.077) 3.689 5.684 ( 3.635 1.006 1.113) 3.932 5.742 ( 0.977 1.596 0.783) 2.029 5.851 ( -1.136 0.530 -1.501) 1.955 5.883 ( -2.266 2.814 -2.679) 4.498 6.015 ( 2.802 1.750 1.427) 3.599 6.122 ( -1.146 1.733 0.708) 2.195 6.302 ( 1.004 -4.554 11.142) 12.078 6.556 ( 0.426 5.126 6.437) 8.239 6.684 ( -0.393 -0.681 3.717) 3.799 6.745 ( -6.382 -0.263 -7.287) 9.690 6.866 ( 1.749 -4.788 -6.039) 7.903 7.147 ( 5.679 -0.181 -5.254) 7.739 7.212 ( -0.204 -2.039 3.347) 3.924 7.573 ( 1.562 -4.309 0.609) 4.624 7.799 ( 4.159 -12.374 4.248) 13.728 7.931 ( 2.350 1.565 -5.727) 6.385 8.007 ( 1.726 4.072 -3.748) 5.797 8.030 ( 6.268 1.660 -7.127) 9.635 8.177 ( 1.049 4.498 -0.081) 4.620 8.241 ( 5.933 0.799 -8.169) 10.128 8.376 ( 6.189 -0.660 -0.612) 6.254 8.618 ( -0.484 1.466 1.734) 2.321 8.656 ( -0.120 0.010 2.165) 2.168 8.703 ( -2.778 -2.778 1.928) 4.376 8.789 ( -4.130 -1.062 6.326) 7.628 8.963 ( 0.752 8.763 3.824) 9.590 9.112 ( -2.321 0.827 0.854) 2.607 9.232 ( 0.252 -2.104 0.636) 2.213 9.250 ( 3.671 -0.105 1.176) 3.856 9.300 ( -4.275 -3.248 5.990) 8.044 9.641 ( -2.478 1.149 3.155) 4.174 9.716 ( 0.506 -4.238 -3.617) 5.594 9.835 ( 1.763 0.365 -1.538) 2.368 10.126 ( -2.029 4.750 -0.449) 5.185 10.252 ( 0.800 0.908 2.514) 2.790 10.347 ( 0.292 0.913 -3.583) 3.709 10.375 ( -1.043 0.311 1.710) 2.027 10.660 ( -2.065 -1.197 3.704) 4.406 10.775 ( -4.570 -1.764 5.255) 7.185 10.981 ( -0.187 6.669 -2.418) 7.096 11.199 ( 0.068 -1.069 -1.148) 1.571 11.608 ( -7.061 -0.251 -4.648) 8.458 11.668 ( -8.028 -1.061 -3.676) 8.893 11.946 ( 0.803 5.024 5.788) 7.706 12.058 ( 1.544 -1.172 5.768) 6.085 12.113 ( 1.801 6.264 0.274) 6.523 12.184 ( -0.136 4.771 7.682) 9.044 12.502 ( -3.028 0.362 -7.172) 7.793 12.683 ( 3.803 -12.224 -2.703) 13.084 12.812 ( -0.774 -2.190 3.189) 3.945 12.828 ( -5.209 -16.590 4.022) 17.848 13.127 ( 7.689 2.899 1.007) 8.279 13.311 ( -0.065 -3.756 1.996) 4.254 13.683 ( -1.832 6.803 2.791) 7.578 13.967 ( -3.468 -7.687 4.972) 9.790 14.386 ( -0.562 5.414 -1.534) 5.655 14.620 ( 0.312 3.252 -1.825) 3.742 15.059 ( 1.425 19.229 -0.960) 19.306 15.850 ( -1.426 14.961 -8.475) 17.254 16.014 ( 4.676 -13.771 -3.688) 15.004 16.572 ( 1.722 -12.456 -13.708) 18.602 ======================= Grid point 58 (29/111) ======================= q-point: (-0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -19.144 1.947 0.049) 19.243 1.799 ( -18.780 6.658 7.654) 21.345 1.948 ( -6.377 -10.018 1.136) 11.929 2.314 ( -15.927 -9.373 3.848) 18.877 2.371 ( 16.383 10.586 -0.384) 19.509 2.696 ( -4.309 5.755 -5.671) 9.157 2.778 ( 6.109 -0.590 -3.936) 7.292 2.992 ( -8.177 4.853 -12.632) 15.811 3.060 ( -19.139 -4.830 -5.225) 20.419 3.273 ( -10.365 -1.198 -7.113) 12.628 3.366 ( -3.659 0.528 -9.551) 10.241 3.412 ( -7.011 5.344 -2.713) 9.223 3.457 ( 6.414 2.114 -1.841) 7.000 3.560 ( -0.254 -2.712 -1.388) 3.057 3.704 ( -5.097 -2.934 -4.438) 7.367 3.811 ( 2.437 -2.958 -1.583) 4.147 3.935 ( 0.464 2.330 -3.597) 4.311 3.963 ( 0.217 8.888 5.194) 10.296 4.110 ( 3.227 -4.962 -8.077) 10.014 4.229 ( -5.085 2.251 5.469) 7.799 4.307 ( -0.883 -3.523 3.995) 5.399 4.404 ( 3.430 3.426 -2.446) 5.430 4.472 ( 4.277 -6.621 -4.056) 8.865 4.576 ( -3.427 -4.867 1.559) 6.153 4.647 ( 4.805 3.713 0.391) 6.085 4.671 ( -1.496 -1.761 0.614) 2.391 4.720 ( -0.983 1.568 -0.149) 1.857 4.964 ( 1.573 -3.243 -1.235) 3.810 5.022 ( -1.260 -1.349 -1.280) 2.246 5.108 ( 1.835 -3.578 -1.094) 4.168 5.140 ( 0.719 -2.271 -0.617) 2.460 5.198 ( 5.453 -2.146 1.915) 6.164 5.291 ( 8.084 4.622 -1.393) 9.415 5.331 ( 5.374 1.535 -0.925) 5.665 5.643 ( 0.520 1.324 0.789) 1.627 5.707 ( -0.599 5.395 0.213) 5.433 5.798 ( 2.585 -4.201 2.059) 5.345 5.841 ( -1.138 3.396 3.553) 5.045 5.886 ( 3.963 -0.190 -0.706) 4.030 6.038 ( -0.479 2.970 -0.872) 3.132 6.131 ( 1.149 1.898 1.524) 2.691 6.399 ( -0.516 -6.656 4.060) 7.814 6.598 ( -2.564 1.062 3.909) 4.794 6.607 ( -0.993 3.205 3.285) 4.695 6.710 ( -1.171 1.644 4.078) 4.550 6.872 ( 3.418 -1.342 -3.267) 4.915 7.163 ( -1.199 -2.425 -2.305) 3.554 7.280 ( 6.877 -4.466 -2.784) 8.660 7.613 ( 2.506 -2.891 -0.834) 3.915 7.885 ( 2.705 -11.477 -0.567) 11.805 7.940 ( 2.560 1.095 -4.534) 5.321 8.010 ( 3.696 -1.230 -2.537) 4.648 8.099 ( 3.843 5.694 -3.189) 7.574 8.196 ( -0.616 5.923 2.138) 6.327 8.270 ( 4.313 0.088 -8.116) 9.191 8.497 ( 2.682 -2.599 -1.048) 3.879 8.583 ( 0.040 3.296 -2.870) 4.370 8.653 ( -3.959 -1.325 6.091) 7.385 8.724 ( 0.545 -2.956 7.398) 7.986 8.774 ( -2.266 -1.206 5.732) 6.280 8.973 ( -2.688 8.400 3.274) 9.407 9.105 ( -2.024 0.267 3.707) 4.232 9.199 ( -0.536 -1.685 4.867) 5.178 9.296 ( 1.673 0.377 3.582) 3.971 9.418 ( 6.881 -0.770 4.540) 8.280 9.635 ( -0.778 0.757 2.769) 2.974 9.702 ( 0.902 -3.690 -2.965) 4.818 9.858 ( 1.481 -0.457 -1.124) 1.915 10.094 ( -1.383 5.622 0.960) 5.868 10.278 ( 0.089 -0.197 1.011) 1.034 10.305 ( -0.804 1.367 -4.213) 4.502 10.375 ( -0.093 0.078 -0.062) 0.136 10.641 ( -3.130 -0.957 3.607) 4.871 10.719 ( -5.195 -2.340 3.839) 6.870 10.927 ( -2.612 6.768 -5.990) 9.408 11.152 ( -3.580 1.073 -2.241) 4.358 11.366 ( -10.258 0.345 -6.565) 12.184 11.434 ( -10.364 -1.015 -7.723) 12.965 11.935 ( -4.853 0.242 -2.125) 5.303 12.079 ( -1.037 5.455 9.130) 10.686 12.200 ( -0.018 0.138 3.083) 3.086 12.316 ( 4.385 0.574 11.762) 12.566 12.345 ( -4.831 -3.366 -3.014) 6.615 12.710 ( 1.861 -11.295 -3.153) 11.874 12.801 ( -1.571 -3.583 3.393) 5.178 12.825 ( -0.549 -6.621 4.013) 7.762 13.286 ( 6.726 1.304 1.699) 7.059 13.359 ( 1.876 -0.787 3.973) 4.463 13.674 ( -1.032 5.592 1.945) 6.010 13.950 ( -2.449 -8.670 4.234) 9.954 14.369 ( 0.336 5.092 -1.977) 5.472 14.608 ( 0.233 1.293 -2.069) 2.450 15.100 ( 2.850 22.128 0.621) 22.319 15.653 ( -8.396 8.993 -10.175) 15.966 16.185 ( 13.761 -7.747 -3.920) 16.271 16.479 ( 3.124 -11.788 -19.776) 23.234 ======================= Grid point 59 (30/111) ======================= q-point: (-0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -20.391 9.356 3.125) 22.652 1.361 ( -26.620 11.954 0.102) 29.181 1.880 ( -8.534 -19.880 3.762) 21.960 1.965 ( -21.446 -3.156 -3.398) 21.942 2.174 ( -30.401 6.624 -4.225) 31.400 2.602 ( -9.281 4.402 -6.594) 12.206 2.695 ( 11.271 5.544 -4.079) 13.207 2.814 ( -9.885 1.697 -4.175) 10.864 2.832 ( 1.730 5.076 -9.549) 10.952 3.056 ( 3.279 -3.247 3.550) 5.822 3.303 ( 1.812 3.399 -6.602) 7.643 3.390 ( -0.131 -0.090 -0.433) 0.461 3.481 ( -2.104 -0.936 -0.828) 2.447 3.574 ( -3.144 -3.087 -2.182) 4.917 3.635 ( 2.906 -5.303 0.218) 6.050 3.814 ( -1.632 -7.773 -1.748) 8.133 3.957 ( 3.197 3.229 -1.837) 4.901 4.006 ( 4.908 6.240 -4.408) 9.080 4.124 ( -1.048 0.742 3.415) 3.648 4.154 ( -9.784 1.213 10.194) 14.181 4.333 ( -1.979 -0.520 4.280) 4.743 4.412 ( -0.664 -7.101 -3.166) 7.803 4.484 ( 5.704 -0.003 -5.957) 8.248 4.565 ( 2.057 -5.205 -4.438) 7.142 4.673 ( 2.606 2.133 1.796) 3.816 4.723 ( 0.511 -0.929 4.844) 4.958 4.778 ( 5.011 -1.240 -0.018) 5.162 4.975 ( -1.698 -5.524 -2.946) 6.486 5.034 ( 7.536 3.556 -8.272) 11.741 5.110 ( 0.278 0.290 -2.639) 2.670 5.142 ( 3.183 1.753 -1.311) 3.863 5.299 ( 2.284 0.177 -4.135) 4.728 5.356 ( 6.346 0.793 -0.652) 6.428 5.494 ( 7.984 -1.142 -3.522) 8.801 5.668 ( 2.804 4.242 0.781) 5.145 5.701 ( -1.544 3.801 2.202) 4.656 5.818 ( -2.907 -0.624 3.653) 4.710 5.899 ( 2.079 0.222 4.623) 5.074 5.989 ( 3.099 -0.824 -0.114) 3.209 5.999 ( 2.223 -0.370 -3.895) 4.500 6.192 ( 3.430 0.641 1.856) 3.952 6.366 ( -3.260 -3.887 2.199) 5.529 6.609 ( -2.379 -0.567 5.287) 5.825 6.639 ( -0.161 2.214 5.101) 5.563 6.713 ( -1.948 4.184 3.701) 5.916 6.945 ( 4.555 1.050 1.377) 4.873 7.101 ( -3.440 -1.293 -0.464) 3.704 7.383 ( 6.976 -8.339 -5.497) 12.183 7.654 ( 4.119 -0.369 -3.762) 5.591 7.908 ( 1.392 -5.876 -2.706) 6.617 7.963 ( 3.306 0.016 -2.626) 4.222 8.096 ( 4.276 -4.324 0.441) 6.098 8.118 ( 3.909 4.347 -8.706) 10.486 8.185 ( -2.931 4.630 4.561) 7.130 8.259 ( 2.355 -1.892 -10.358) 10.790 8.415 ( -4.268 -1.886 -2.631) 5.357 8.585 ( -4.167 0.176 4.460) 6.106 8.653 ( -0.406 1.574 4.577) 4.857 8.783 ( 0.845 -0.769 0.602) 1.291 8.805 ( -2.765 1.136 11.043) 11.440 8.954 ( -0.201 2.210 -0.065) 2.220 9.104 ( -1.575 1.284 5.612) 5.969 9.241 ( -0.552 -2.343 4.507) 5.110 9.445 ( 6.534 0.903 8.661) 10.887 9.603 ( 5.669 0.371 7.194) 9.167 9.661 ( 2.858 -3.859 2.002) 5.203 9.703 ( 1.465 1.075 -0.191) 1.828 9.860 ( -0.768 -1.413 -0.415) 1.661 10.094 ( 0.241 6.257 1.158) 6.368 10.217 ( -2.993 3.142 -7.508) 8.672 10.280 ( -0.310 -1.485 -2.554) 2.971 10.366 ( -0.444 -0.221 -0.782) 0.926 10.580 ( -4.710 1.274 -3.061) 5.760 10.642 ( -6.433 2.034 5.264) 8.558 10.753 ( -5.650 1.149 -9.949) 11.499 11.056 ( -4.722 2.387 1.675) 5.550 11.142 ( -8.709 -2.478 -6.040) 10.884 11.204 ( -7.302 -0.266 -0.221) 7.310 11.819 ( -4.618 -2.602 -2.021) 5.673 11.982 ( -8.531 -8.857 -3.089) 12.679 12.239 ( -1.767 5.796 6.684) 9.022 12.371 ( 1.770 2.686 16.149) 16.466 12.525 ( 6.238 -3.223 10.118) 12.315 12.710 ( 0.522 -10.983 -1.608) 11.113 12.809 ( 1.165 0.878 0.923) 1.726 12.867 ( 1.109 -5.456 2.910) 6.283 13.382 ( -0.000 2.127 3.319) 3.942 13.440 ( 2.776 -0.863 3.900) 4.865 13.694 ( 2.333 3.934 1.265) 4.745 13.947 ( -1.188 -7.761 4.335) 8.968 14.366 ( 0.831 4.805 -1.274) 5.040 14.599 ( 0.485 -0.298 -1.346) 1.462 15.172 ( 2.768 21.953 1.453) 22.174 15.384 ( -9.349 8.216 -8.942) 15.325 16.339 ( 4.226 -5.707 -29.543) 30.385 16.442 ( 15.522 -5.845 -5.387) 17.439 ======================= Grid point 60 (31/111) ======================= q-point: (-0.12 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -15.184 17.543 10.165) 25.331 0.859 ( -20.642 17.767 5.101) 27.708 1.449 ( -26.849 27.862 15.098) 41.534 1.695 ( -13.725 -17.281 6.349) 22.963 1.761 ( -11.626 -17.573 2.324) 21.198 2.531 ( 3.331 -8.793 1.535) 9.527 2.601 ( -6.001 5.111 -3.752) 8.730 2.703 ( 4.663 2.531 -11.633) 12.785 3.039 ( 10.035 3.706 -0.058) 10.698 3.149 ( 5.361 3.627 0.893) 6.534 3.325 ( 3.089 0.246 -2.640) 4.071 3.388 ( 0.149 0.613 0.775) 0.999 3.430 ( -0.753 0.862 -0.255) 1.172 3.478 ( -3.210 -6.000 -1.993) 7.090 3.608 ( -5.441 3.079 -0.623) 6.283 3.813 ( -0.723 -6.826 -0.066) 6.865 3.935 ( -3.401 1.891 -0.881) 3.990 4.033 ( -8.966 -0.307 9.664) 13.186 4.073 ( 4.035 5.865 -2.642) 7.593 4.163 ( 4.936 -0.444 0.240) 4.962 4.294 ( -1.002 -4.328 -0.769) 4.509 4.436 ( -3.913 -3.455 -0.758) 5.274 4.459 ( 1.628 -4.111 -2.165) 4.923 4.623 ( 4.830 -7.322 -2.994) 9.269 4.743 ( 0.554 -2.596 5.496) 6.103 4.810 ( 6.745 6.639 -1.695) 9.615 4.878 ( 4.014 -0.485 0.756) 4.113 4.924 ( -0.790 0.051 -3.623) 3.708 4.973 ( -1.341 2.247 -4.141) 4.899 5.163 ( 1.809 11.143 2.809) 11.633 5.214 ( 4.999 -5.012 -7.692) 10.453 5.340 ( 7.762 1.249 -2.054) 8.126 5.471 ( 6.687 -1.326 -3.011) 7.453 5.592 ( 3.835 -3.467 1.321) 5.336 5.693 ( -0.794 1.213 2.537) 2.922 5.746 ( 2.789 3.087 0.838) 4.245 5.770 ( -3.616 2.690 0.164) 4.510 5.911 ( -3.213 0.069 -1.563) 3.574 5.950 ( -0.413 0.318 1.370) 1.466 6.108 ( 5.635 -2.131 -3.895) 7.174 6.266 ( -1.006 -0.810 3.621) 3.844 6.317 ( -2.295 -2.749 0.435) 3.607 6.597 ( -3.237 -0.522 4.464) 5.538 6.640 ( -3.363 -2.338 2.698) 4.904 6.706 ( -0.966 7.894 1.673) 8.127 7.001 ( -1.304 5.639 -3.898) 6.978 7.070 ( 1.235 -3.998 4.271) 5.979 7.459 ( 4.542 -11.095 -2.851) 12.323 7.724 ( 5.770 2.681 -2.973) 7.023 7.899 ( -1.539 -0.678 -0.442) 1.739 8.021 ( 5.192 1.131 -2.564) 5.900 8.071 ( 0.592 -1.435 -8.533) 8.673 8.122 ( -3.398 0.287 -2.598) 4.287 8.182 ( 3.258 -4.421 -7.262) 9.105 8.219 ( 0.802 0.184 -2.990) 3.101 8.360 ( -1.811 -2.332 3.649) 4.694 8.571 ( -1.810 3.371 7.489) 8.410 8.648 ( -2.260 3.741 1.148) 4.519 8.785 ( -1.408 0.945 0.283) 1.719 8.823 ( 0.050 5.026 2.863) 5.784 8.934 ( -3.427 -6.554 -0.715) 7.430 9.106 ( -2.718 2.211 2.040) 4.054 9.246 ( -3.004 -3.096 2.658) 5.066 9.458 ( -5.055 -12.570 -8.243) 15.859 9.693 ( 0.325 3.535 1.940) 4.045 9.819 ( -1.813 -2.037 0.008) 2.727 9.840 ( 6.963 2.968 4.710) 8.915 9.913 ( 12.953 1.875 12.466) 18.075 10.011 ( -6.330 2.149 -7.700) 10.197 10.099 ( -3.744 2.665 -8.395) 9.570 10.228 ( 0.611 1.666 1.200) 2.142 10.366 ( 2.136 0.635 -0.960) 2.426 10.460 ( -2.387 3.432 -1.711) 4.517 10.558 ( -3.940 11.244 4.330) 12.677 10.675 ( -0.676 -6.210 2.483) 6.722 10.948 ( -6.275 2.740 -0.820) 6.896 11.034 ( -2.948 -5.800 7.464) 9.902 11.113 ( -4.410 -1.500 4.251) 6.306 11.731 ( -2.993 -5.074 -0.259) 5.897 11.834 ( -5.916 -10.627 4.197) 12.866 12.218 ( -2.624 5.979 1.347) 6.667 12.558 ( 0.580 -6.816 4.491) 8.183 12.703 ( 3.193 -6.475 12.549) 14.478 12.732 ( -0.055 -8.701 6.804) 11.046 12.861 ( 2.513 1.370 0.831) 2.980 12.906 ( 2.510 -1.316 -0.007) 2.834 13.307 ( -9.399 4.070 -1.531) 10.356 13.505 ( -0.430 -5.034 4.072) 6.489 13.785 ( 3.905 3.903 2.686) 6.140 14.022 ( 3.889 -5.129 8.853) 10.945 14.386 ( 1.379 4.415 1.760) 4.949 14.611 ( 1.203 -3.139 0.389) 3.384 15.097 ( -4.394 7.704 -5.279) 10.322 15.326 ( 1.498 4.331 3.579) 5.815 16.175 ( 14.097 24.273 -37.046) 46.479 16.659 ( 11.444 -3.774 -7.951) 14.437 ======================= Grid point 61 (32/111) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -1.466 -20.169 10.672) 22.866 1.196 ( -1.466 20.169 10.672) 22.866 1.304 ( 3.350 -21.330 14.341) 25.921 1.304 ( 3.350 21.330 14.341) 25.921 2.059 ( 2.282 -29.626 14.382) 33.012 2.059 ( 2.282 29.626 14.382) 33.012 2.738 ( 5.441 -3.482 -1.187) 6.568 2.738 ( 5.441 3.482 -1.187) 6.568 3.179 ( 2.332 -3.263 -2.631) 4.796 3.179 ( 2.332 3.263 -2.631) 4.796 3.409 ( 1.846 -3.130 0.932) 3.751 3.409 ( 1.846 3.130 0.932) 3.751 3.510 ( 1.690 -1.529 4.398) 4.953 3.510 ( 1.690 1.529 4.398) 4.953 3.668 ( -0.393 -7.112 -6.797) 9.845 3.668 ( -0.393 7.112 -6.797) 9.845 3.889 ( -4.754 -0.397 2.681) 5.472 3.889 ( -4.754 0.397 2.681) 5.472 4.148 ( -0.778 -1.248 1.959) 2.449 4.148 ( -0.778 1.248 1.959) 2.449 4.302 ( 0.733 -2.459 0.435) 2.602 4.302 ( 0.733 2.459 0.435) 2.602 4.516 ( 4.407 -6.448 0.423) 7.822 4.516 ( 4.407 6.448 0.423) 7.822 4.839 ( -1.326 -3.876 1.248) 4.282 4.839 ( -1.326 3.876 1.248) 4.282 4.914 ( -0.989 -2.066 -2.423) 3.335 4.914 ( -0.989 2.066 -2.423) 3.335 5.059 ( 2.410 -5.091 -3.589) 6.679 5.059 ( 2.410 5.091 -3.589) 6.679 5.411 ( -0.647 -4.934 -2.083) 5.395 5.411 ( -0.647 4.934 -2.083) 5.395 5.629 ( 5.946 -4.786 2.839) 8.144 5.629 ( 5.946 4.786 2.839) 8.144 5.690 ( 0.187 -3.276 1.813) 3.749 5.690 ( 0.187 3.276 1.813) 3.749 5.859 ( -0.175 -3.137 0.551) 3.189 5.859 ( -0.175 3.137 0.551) 3.189 6.065 ( 1.412 -6.497 -1.285) 6.772 6.065 ( 1.412 6.497 -1.285) 6.772 6.244 ( -2.566 -2.917 -0.933) 3.996 6.244 ( -2.566 2.917 -0.933) 3.996 6.536 ( -4.332 -0.643 1.662) 4.684 6.536 ( -4.332 0.643 1.662) 4.684 6.861 ( -1.108 -6.151 -0.516) 6.272 6.861 ( -1.108 6.151 -0.516) 6.272 7.224 ( -0.374 -10.635 -1.364) 10.729 7.224 ( -0.374 10.635 -1.364) 10.729 7.854 ( -2.612 -0.425 -2.276) 3.491 7.854 ( -2.612 0.425 -2.276) 3.491 7.953 ( -1.459 -5.914 -2.856) 6.727 7.953 ( -1.459 5.914 -2.856) 6.727 8.112 ( 1.829 -0.908 -8.414) 8.658 8.112 ( 1.829 0.908 -8.414) 8.658 8.333 ( 4.342 -4.113 -1.057) 6.073 8.333 ( 4.342 4.113 -1.057) 6.073 8.660 ( -6.667 -4.570 2.012) 8.330 8.660 ( -6.667 4.570 2.012) 8.330 8.772 ( 3.467 -1.667 3.631) 5.290 8.772 ( 3.467 1.667 3.631) 5.290 8.986 ( -3.064 -6.371 -7.474) 10.288 8.986 ( -3.064 6.371 -7.474) 10.288 9.158 ( -0.634 -6.031 -0.736) 6.109 9.158 ( -0.634 6.031 -0.736) 6.109 9.715 ( -3.881 -2.089 -0.648) 4.455 9.715 ( -3.881 2.089 -0.648) 4.455 9.853 ( -3.387 -0.679 -2.821) 4.460 9.853 ( -3.387 0.679 -2.821) 4.460 10.156 ( 5.349 -3.029 5.108) 7.993 10.156 ( 5.349 3.029 5.108) 7.993 10.364 ( 0.634 -3.194 -0.842) 3.364 10.364 ( 0.634 3.194 -0.842) 3.364 10.613 ( 1.947 -5.030 4.278) 6.884 10.613 ( 1.947 5.030 4.278) 6.884 10.906 ( 1.730 -8.885 13.592) 16.330 10.906 ( 1.730 8.885 13.592) 16.330 11.002 ( 1.172 -4.219 4.775) 6.479 11.002 ( 1.172 4.219 4.775) 6.479 11.669 ( 0.833 -2.875 6.048) 6.748 11.669 ( 0.833 2.875 6.048) 6.748 12.364 ( -0.892 -7.669 -4.949) 9.171 12.364 ( -0.892 7.669 -4.949) 9.171 12.634 ( -5.848 -1.371 4.287) 7.380 12.634 ( -5.848 1.371 4.287) 7.380 12.886 ( -2.812 -2.192 -3.998) 5.356 12.886 ( -2.812 2.192 -3.998) 5.356 13.312 ( -1.724 -8.792 -5.792) 10.669 13.312 ( -1.724 8.792 -5.792) 10.669 13.978 ( -2.526 -8.038 6.876) 10.875 13.978 ( -2.526 8.038 6.876) 10.875 14.553 ( 1.134 -4.987 4.617) 6.890 14.553 ( 1.134 4.987 4.617) 6.890 15.223 ( 5.244 -4.608 0.781) 7.024 15.223 ( 5.244 4.608 0.781) 7.024 16.648 ( 7.433 -4.653 -14.180) 16.673 16.648 ( 7.433 4.653 -14.180) 16.673 ======================= Grid point 63 (33/111) ======================= q-point: ( 0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 8.568 -16.124 12.157) 21.936 1.365 ( 8.568 16.124 12.157) 21.936 1.462 ( 3.224 -19.748 5.083) 20.645 1.462 ( 3.224 19.748 5.083) 20.645 2.437 ( 17.567 -14.980 16.560) 28.412 2.437 ( 17.567 14.980 16.560) 28.412 2.908 ( 8.957 -0.504 5.779) 10.671 2.908 ( 8.957 0.504 5.779) 10.671 3.172 ( -2.073 -3.380 2.753) 4.827 3.172 ( -2.073 3.380 2.753) 4.827 3.440 ( -1.346 -7.594 -0.226) 7.715 3.440 ( -1.346 7.594 -0.226) 7.715 3.509 ( 1.081 -5.877 -5.432) 8.075 3.509 ( 1.081 5.877 -5.432) 8.075 3.624 ( 0.792 -2.084 1.628) 2.761 3.624 ( 0.792 2.084 1.628) 2.761 3.872 ( -0.894 -6.357 2.888) 7.039 3.872 ( -0.894 6.357 2.888) 7.039 4.157 ( 1.690 -3.156 -1.576) 3.911 4.157 ( 1.690 3.156 -1.576) 3.911 4.326 ( 1.301 -3.502 -0.325) 3.750 4.326 ( 1.301 3.502 -0.325) 3.750 4.611 ( 2.274 -5.421 3.989) 7.104 4.611 ( 2.274 5.421 3.989) 7.104 4.732 ( -4.352 -2.780 -4.146) 6.623 4.732 ( -4.352 2.780 -4.146) 6.623 4.928 ( -3.180 -4.079 5.241) 7.363 4.928 ( -3.180 4.079 5.241) 7.363 5.053 ( 0.662 -4.046 -2.850) 4.993 5.053 ( 0.662 4.046 -2.850) 4.993 5.334 ( -3.891 -3.813 -1.913) 5.773 5.334 ( -3.891 3.813 -1.913) 5.773 5.655 ( 1.290 -0.050 -4.407) 4.592 5.655 ( 1.290 0.050 -4.407) 4.592 5.751 ( -2.265 -4.028 3.280) 5.667 5.751 ( -2.265 4.028 3.280) 5.667 5.893 ( -0.012 -5.961 3.036) 6.689 5.893 ( -0.012 5.961 3.036) 6.689 6.020 ( -3.171 -5.021 0.904) 6.007 6.020 ( -3.171 5.021 0.904) 6.007 6.250 ( 2.094 -0.356 1.379) 2.533 6.250 ( 2.094 0.356 1.379) 2.533 6.453 ( -3.345 -1.707 -1.173) 3.934 6.453 ( -3.345 1.707 -1.173) 3.934 6.864 ( 0.742 -5.857 1.456) 6.081 6.864 ( 0.742 5.857 1.456) 6.081 7.179 ( -1.656 -9.932 -3.016) 10.511 7.179 ( -1.656 9.932 -3.016) 10.511 7.706 ( -5.906 -1.348 -6.412) 8.821 7.706 ( -5.906 1.348 -6.412) 8.821 7.946 ( 1.710 -5.717 -3.451) 6.894 7.946 ( 1.710 5.717 -3.451) 6.894 8.071 ( 2.314 -0.901 -8.095) 8.467 8.071 ( 2.314 0.901 -8.095) 8.467 8.391 ( 2.315 -7.244 -4.848) 9.018 8.391 ( 2.315 7.244 -4.848) 9.018 8.584 ( -1.844 -2.925 2.830) 4.468 8.584 ( -1.844 2.925 2.830) 4.468 8.824 ( -1.161 -3.136 -4.226) 5.389 8.824 ( -1.161 3.136 -4.226) 5.389 8.929 ( 0.719 -3.570 4.491) 5.782 8.929 ( 0.719 3.570 4.491) 5.782 9.153 ( 2.318 -5.180 -3.221) 6.525 9.153 ( 2.318 5.180 -3.221) 6.525 9.619 ( -5.067 -4.345 0.063) 6.675 9.619 ( -5.067 4.345 0.063) 6.675 9.817 ( -0.779 -2.189 0.968) 2.517 9.817 ( -0.779 2.189 0.968) 2.517 10.246 ( 1.465 -4.383 1.224) 4.780 10.246 ( 1.465 4.383 1.224) 4.780 10.348 ( -0.884 -2.268 -0.165) 2.440 10.348 ( -0.884 2.268 -0.165) 2.440 10.672 ( -0.729 -5.035 7.438) 9.011 10.672 ( -0.729 5.035 7.438) 9.011 10.992 ( 2.820 -4.850 1.697) 5.861 10.992 ( 2.820 4.850 1.697) 5.861 11.237 ( 9.138 -4.070 13.476) 16.783 11.237 ( 9.138 4.070 13.476) 16.783 11.817 ( 7.002 -7.338 9.707) 14.039 11.817 ( 7.002 7.338 9.707) 14.039 12.259 ( -5.184 -5.796 -5.220) 9.366 12.259 ( -5.184 5.796 -5.220) 9.366 12.542 ( -5.158 -8.309 2.966) 10.220 12.542 ( -5.158 8.309 2.966) 10.220 12.772 ( -2.968 -1.547 -5.595) 6.520 12.772 ( -2.968 1.547 -5.595) 6.520 13.259 ( 0.904 -8.397 -6.958) 10.943 13.259 ( 0.904 8.397 -6.958) 10.943 13.948 ( -5.633 -9.005 7.294) 12.885 13.948 ( -5.633 9.005 7.294) 12.885 14.593 ( -1.021 -5.240 4.214) 6.801 14.593 ( -1.021 5.240 4.214) 6.801 15.386 ( 8.549 -4.437 -0.150) 9.633 15.386 ( 8.549 4.437 -0.150) 9.633 16.582 ( -1.936 -2.830 -10.616) 11.156 16.582 ( -1.936 2.830 -10.616) 11.156 ======================= Grid point 65 (34/111) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 4.698 -9.904 5.259) 12.158 1.562 ( 4.698 9.904 5.259) 12.158 1.709 ( 15.319 -10.835 8.521) 20.608 1.709 ( 15.319 10.835 8.521) 20.608 2.772 ( 4.213 -5.827 0.077) 7.191 2.772 ( 4.213 5.827 0.077) 7.191 2.914 ( -4.928 -4.166 0.180) 6.455 2.914 ( -4.928 4.166 0.180) 6.455 3.323 ( 4.472 -3.618 2.226) 6.168 3.323 ( 4.472 3.618 2.226) 6.168 3.421 ( -0.010 -1.334 1.929) 2.345 3.421 ( -0.010 1.334 1.929) 2.345 3.564 ( 10.178 -6.603 0.676) 12.151 3.564 ( 10.178 6.603 0.676) 12.151 3.749 ( 8.370 -8.073 10.035) 15.360 3.749 ( 8.370 8.073 10.035) 15.360 3.856 ( -1.896 -6.399 0.648) 6.705 3.856 ( -1.896 6.399 0.648) 6.705 4.179 ( 1.987 -4.760 -1.805) 5.464 4.179 ( 1.987 4.760 -1.805) 5.464 4.349 ( 2.058 -2.851 -1.554) 3.844 4.349 ( 2.058 2.851 -1.554) 3.844 4.620 ( -2.796 -1.827 1.302) 3.585 4.620 ( -2.796 1.827 1.302) 3.585 4.682 ( -0.224 -4.870 0.909) 4.959 4.682 ( -0.224 4.870 0.909) 4.959 4.844 ( -7.243 -5.458 3.251) 9.634 4.844 ( -7.243 5.458 3.251) 9.634 5.019 ( -3.561 -4.431 -1.089) 5.788 5.019 ( -3.561 4.431 -1.089) 5.788 5.301 ( 1.199 -3.386 1.128) 3.765 5.301 ( 1.199 3.386 1.128) 3.765 5.543 ( -9.863 -1.925 -5.841) 11.624 5.543 ( -9.863 1.925 -5.841) 11.624 5.689 ( -4.887 -0.672 1.920) 5.294 5.689 ( -4.887 0.672 1.920) 5.294 5.861 ( -1.383 -7.649 -0.174) 7.775 5.861 ( -1.383 7.649 -0.174) 7.775 6.037 ( 0.549 -2.848 1.179) 3.131 6.037 ( 0.549 2.848 1.179) 3.131 6.202 ( -5.347 -2.335 -0.976) 5.915 6.202 ( -5.347 2.335 -0.976) 5.915 6.491 ( 4.669 -2.232 3.747) 6.389 6.491 ( 4.669 2.232 3.747) 6.389 6.886 ( -1.120 -8.427 2.894) 8.980 6.886 ( -1.120 8.427 2.894) 8.980 7.135 ( 0.412 -7.725 -3.833) 8.634 7.135 ( 0.412 7.725 -3.833) 8.634 7.567 ( -2.612 -1.720 -5.255) 6.115 7.567 ( -2.612 1.720 -5.255) 6.115 7.960 ( 4.529 -3.476 -6.999) 9.032 7.960 ( 4.529 3.476 -6.999) 9.032 8.059 ( 3.109 -1.371 -7.825) 8.531 8.059 ( 3.109 1.371 -7.825) 8.531 8.347 ( -0.492 -7.130 -6.159) 9.435 8.347 ( -0.492 7.130 -6.159) 9.435 8.614 ( -0.194 -3.334 5.143) 6.132 8.614 ( -0.194 3.334 5.143) 6.132 8.760 ( 0.197 -2.355 -4.950) 5.485 8.760 ( 0.197 2.355 -4.950) 5.485 8.982 ( -0.916 -0.639 6.557) 6.652 8.982 ( -0.916 0.639 6.557) 6.652 9.198 ( 3.539 -3.851 -0.910) 5.309 9.198 ( 3.539 3.851 -0.910) 5.309 9.527 ( -5.083 -7.181 1.495) 8.924 9.527 ( -5.083 7.181 1.495) 8.924 9.810 ( -0.721 -2.816 0.315) 2.924 9.810 ( -0.721 2.816 0.315) 2.924 10.250 ( -0.691 -2.499 -0.214) 2.601 10.250 ( -0.691 2.499 -0.214) 2.601 10.349 ( 0.605 -2.870 0.429) 2.965 10.349 ( 0.605 2.870 0.429) 2.965 10.718 ( -1.667 -5.126 8.248) 9.853 10.718 ( -1.667 5.126 8.248) 9.853 11.060 ( 3.137 -4.426 -0.196) 5.429 11.060 ( 3.137 4.426 -0.196) 5.429 11.501 ( 7.522 -2.684 10.228) 12.977 11.501 ( 7.522 2.684 10.228) 12.977 12.008 ( 1.582 -4.303 1.558) 4.842 12.008 ( 1.582 4.303 1.558) 4.842 12.164 ( 1.071 -9.063 4.122) 10.014 12.164 ( 1.071 9.063 4.122) 10.014 12.492 ( -2.144 -14.403 1.235) 14.614 12.492 ( -2.144 14.403 1.235) 14.614 12.702 ( -0.376 -3.904 -2.997) 4.936 12.702 ( -0.376 3.904 -2.997) 4.936 13.206 ( -0.208 -8.039 -7.098) 10.726 13.206 ( -0.208 8.039 -7.098) 10.726 13.902 ( -5.329 -8.496 7.113) 12.296 13.902 ( -5.329 8.496 7.113) 12.296 14.590 ( -2.007 -6.121 2.242) 6.821 14.590 ( -2.007 6.121 2.242) 6.821 15.506 ( 5.377 -14.997 -3.382) 16.286 15.506 ( 5.377 14.997 -3.382) 16.286 16.443 ( -3.752 -10.718 -7.350) 13.527 16.443 ( -3.752 10.718 -7.350) 13.527 ======================= Grid point 67 (35/111) ======================= q-point: ( 0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 5.911 -1.237 5.109) 7.910 1.720 ( 5.911 1.237 5.109) 7.910 2.057 ( 12.448 -8.425 6.299) 16.297 2.057 ( 12.448 8.425 6.299) 16.297 2.590 ( -11.987 -7.558 0.108) 14.172 2.590 ( -11.987 7.558 0.108) 14.172 2.965 ( 2.037 -2.778 -1.108) 3.619 2.965 ( 2.037 2.778 -1.108) 3.619 3.341 ( 0.800 -2.904 -4.096) 5.084 3.341 ( 0.800 2.904 -4.096) 5.084 3.388 ( 2.197 -3.977 -5.594) 7.207 3.388 ( 2.197 3.977 -5.594) 7.207 3.714 ( 1.780 -2.502 -6.762) 7.426 3.714 ( 1.780 2.502 -6.762) 7.426 3.823 ( 2.472 -1.361 3.664) 4.625 3.823 ( 2.472 1.361 3.664) 4.625 4.092 ( 7.165 -3.194 8.565) 11.615 4.092 ( 7.165 3.194 8.565) 11.615 4.217 ( 3.069 -5.047 -0.255) 5.912 4.217 ( 3.069 5.047 -0.255) 5.912 4.362 ( -0.366 -3.364 -0.582) 3.434 4.362 ( -0.366 3.364 -0.582) 3.434 4.594 ( -0.858 -6.004 2.493) 6.557 4.594 ( -0.858 6.004 2.493) 6.557 4.661 ( -3.613 -2.918 2.543) 5.295 4.661 ( -3.613 2.918 2.543) 5.295 4.796 ( 1.116 -3.156 1.779) 3.791 4.796 ( 1.116 3.156 1.779) 3.791 4.927 ( -4.489 -6.307 1.883) 7.967 4.927 ( -4.489 6.307 1.883) 7.967 5.217 ( -14.006 -2.652 -4.998) 15.106 5.217 ( -14.006 2.652 -4.998) 15.106 5.349 ( -1.651 -4.182 1.810) 4.847 5.349 ( -1.651 4.182 1.810) 4.847 5.621 ( -0.794 -2.695 -1.166) 3.042 5.621 ( -0.794 2.695 -1.166) 3.042 5.852 ( 0.125 -6.160 -1.776) 6.412 5.852 ( 0.125 6.160 -1.776) 6.412 5.993 ( -1.732 -1.290 -3.790) 4.362 5.993 ( -1.732 1.290 -3.790) 4.362 6.163 ( -1.816 -2.026 6.898) 7.415 6.163 ( -1.816 2.026 6.898) 7.415 6.605 ( 2.687 -2.632 4.254) 5.678 6.605 ( 2.687 2.632 4.254) 5.678 6.847 ( -3.220 -4.845 -2.511) 6.336 6.847 ( -3.220 4.845 -2.511) 6.336 7.136 ( 2.770 -5.731 -2.923) 7.004 7.136 ( 2.770 5.731 -2.923) 7.004 7.528 ( -0.475 -4.065 2.536) 4.814 7.528 ( -0.475 4.065 2.536) 4.814 7.986 ( 4.410 -2.018 -9.554) 10.715 7.986 ( 4.410 2.018 -9.554) 10.715 8.078 ( 6.243 -4.737 -6.300) 10.055 8.078 ( 6.243 4.737 -6.300) 10.055 8.301 ( 0.997 -5.535 -4.738) 7.354 8.301 ( 0.997 5.535 -4.738) 7.354 8.641 ( -1.295 -2.709 4.790) 5.653 8.641 ( -1.295 2.709 4.790) 5.653 8.739 ( -0.423 -3.605 -1.240) 3.836 8.739 ( -0.423 3.605 -1.240) 3.836 9.028 ( 1.228 -2.535 4.472) 5.286 9.028 ( 1.228 2.535 4.472) 5.286 9.239 ( -0.353 -2.707 1.682) 3.206 9.239 ( -0.353 2.707 1.682) 3.206 9.452 ( -3.890 -11.235 1.959) 12.050 9.452 ( -3.890 11.235 1.959) 12.050 9.795 ( -0.282 -3.450 -1.012) 3.607 9.795 ( -0.282 3.450 -1.012) 3.607 10.237 ( -0.262 -1.381 -0.500) 1.492 10.237 ( -0.262 1.381 -0.500) 1.492 10.365 ( 0.659 -2.062 -0.042) 2.166 10.365 ( 0.659 2.062 -0.042) 2.166 10.736 ( -3.332 -5.074 6.820) 9.130 10.736 ( -3.332 5.074 6.820) 9.130 11.104 ( 1.976 -5.042 -0.916) 5.492 11.104 ( 1.976 5.042 -0.916) 5.492 11.686 ( 2.716 -3.436 5.710) 7.196 11.686 ( 2.716 3.436 5.710) 7.196 11.955 ( -2.021 -2.799 0.356) 3.471 11.955 ( -2.021 2.799 0.356) 3.471 12.288 ( 3.958 -12.960 2.562) 13.790 12.288 ( 3.958 12.960 2.562) 13.790 12.465 ( -2.603 -17.082 1.004) 17.309 12.465 ( -2.603 17.082 1.004) 17.309 12.700 ( 1.013 -5.765 0.370) 5.865 12.700 ( 1.013 5.765 0.370) 5.865 13.156 ( 1.059 -7.251 -4.027) 8.361 13.156 ( 1.059 7.251 -4.027) 8.361 13.864 ( -4.446 -7.360 6.056) 10.517 13.864 ( -4.446 7.360 6.056) 10.517 14.560 ( -1.711 -6.826 -0.142) 7.038 14.560 ( -1.711 6.826 -0.142) 7.038 15.555 ( 3.540 -22.268 -3.997) 22.899 15.555 ( 3.540 22.268 -3.997) 22.899 16.322 ( -2.108 -16.453 -7.743) 18.306 16.322 ( -2.108 16.453 -7.743) 18.306 ======================= Grid point 69 (36/111) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -4.995 -4.245 3.246) 7.315 1.783 ( -4.995 4.245 3.246) 7.315 2.286 ( 5.276 -2.825 3.871) 7.128 2.286 ( 5.276 2.825 3.871) 7.128 2.404 ( -6.884 -5.130 3.133) 9.139 2.404 ( -6.884 5.130 3.133) 9.139 2.947 ( -1.204 -7.709 -1.981) 8.050 2.947 ( -1.204 7.709 -1.981) 8.050 3.344 ( 3.918 -2.647 -6.325) 7.897 3.344 ( 3.918 2.647 -6.325) 7.897 3.417 ( 3.235 -2.237 -3.117) 5.019 3.417 ( 3.235 2.237 -3.117) 5.019 3.637 ( -0.031 -8.288 -10.462) 13.347 3.637 ( -0.031 8.288 -10.462) 13.347 3.867 ( -3.346 -3.508 -3.088) 5.747 3.867 ( -3.346 3.508 -3.088) 5.747 4.080 ( -6.945 -3.577 -2.205) 8.117 4.080 ( -6.945 3.577 -2.205) 8.117 4.235 ( -0.570 -3.005 -3.143) 4.386 4.235 ( -0.570 3.005 -3.143) 4.386 4.309 ( -3.470 -2.973 0.938) 4.664 4.309 ( -3.470 2.973 0.938) 4.664 4.570 ( -6.216 -7.998 3.153) 10.609 4.570 ( -6.216 7.998 3.153) 10.609 4.624 ( 0.128 -9.958 0.936) 10.003 4.624 ( 0.128 9.958 0.936) 10.003 4.815 ( 2.075 -5.270 -1.928) 5.983 4.815 ( 2.075 5.270 -1.928) 5.983 4.953 ( -2.871 -6.369 6.635) 9.635 4.953 ( -2.871 6.369 6.635) 9.635 5.091 ( 7.598 -3.194 0.892) 8.290 5.091 ( 7.598 3.194 0.892) 8.290 5.294 ( -3.500 -5.616 0.755) 6.660 5.294 ( -3.500 5.616 0.755) 6.660 5.650 ( 3.137 -1.707 -0.735) 3.646 5.650 ( 3.137 1.707 -0.735) 3.646 5.825 ( -0.386 -3.078 -2.364) 3.900 5.825 ( -0.386 3.078 -2.364) 3.900 5.970 ( 1.039 -4.585 -1.174) 4.846 5.970 ( 1.039 4.585 -1.174) 4.846 6.205 ( -0.796 -4.642 7.948) 9.238 6.205 ( -0.796 4.642 7.948) 9.238 6.651 ( -2.014 -3.099 3.361) 4.996 6.651 ( -2.014 3.099 3.361) 4.996 6.768 ( 0.433 -3.196 -4.207) 5.301 6.768 ( 0.433 3.196 -4.207) 5.301 7.165 ( 2.001 -1.972 -3.016) 4.121 7.165 ( 2.001 1.972 -3.016) 4.121 7.578 ( 1.817 -5.760 5.333) 8.057 7.578 ( 1.817 5.760 5.333) 8.057 7.973 ( 2.320 -2.011 -7.388) 8.000 7.973 ( 2.320 2.011 -7.388) 8.000 8.171 ( 7.181 -6.092 -6.400) 11.386 8.171 ( 7.181 6.092 -6.400) 11.386 8.320 ( 3.669 -5.788 -0.851) 6.906 8.320 ( 3.669 5.788 -0.851) 6.906 8.643 ( -2.515 -1.593 4.123) 5.085 8.643 ( -2.515 1.593 4.123) 5.085 8.720 ( -1.195 -4.046 1.110) 4.362 8.720 ( -1.195 4.046 1.110) 4.362 9.092 ( 0.340 -2.955 4.652) 5.522 9.092 ( 0.340 2.955 4.652) 5.522 9.221 ( -1.509 -2.150 1.596) 3.074 9.221 ( -1.509 2.150 1.596) 3.074 9.421 ( -1.286 -12.705 2.457) 13.004 9.421 ( -1.286 12.705 2.457) 13.004 9.788 ( 0.665 -4.363 -1.438) 4.642 9.788 ( 0.665 4.363 -1.438) 4.642 10.230 ( -0.075 -3.380 -0.586) 3.431 10.230 ( -0.075 3.380 -0.586) 3.431 10.370 ( 0.180 -0.985 -0.841) 1.308 10.370 ( 0.180 0.985 -0.841) 1.308 10.708 ( -4.456 -4.185 5.071) 7.943 10.708 ( -4.456 4.185 5.071) 7.943 11.122 ( 0.608 -5.919 -1.125) 6.055 11.122 ( 0.608 5.919 -1.125) 6.055 11.632 ( -7.265 -1.944 -4.143) 8.586 11.632 ( -7.265 1.944 -4.143) 8.586 12.019 ( 2.995 -2.162 6.662) 7.618 12.019 ( 2.995 2.162 6.662) 7.618 12.295 ( -4.838 -11.910 -2.540) 13.104 12.295 ( -4.838 11.910 -2.540) 13.104 12.426 ( 0.332 -13.770 1.422) 13.847 12.426 ( 0.332 13.770 1.422) 13.847 12.729 ( 0.523 -4.717 2.112) 5.195 12.729 ( 0.523 4.717 2.112) 5.195 13.202 ( 4.644 -4.540 0.955) 6.564 13.202 ( 4.644 4.540 0.955) 6.564 13.831 ( -3.685 -6.448 4.833) 8.861 13.831 ( -3.685 6.448 4.833) 8.861 14.528 ( -0.624 -7.149 -1.893) 7.421 14.528 ( -0.624 7.149 -1.893) 7.421 15.591 ( 2.930 -24.692 -2.345) 24.975 15.591 ( 2.930 24.692 -2.345) 24.975 16.228 ( 0.896 -18.428 -11.130) 21.547 16.228 ( 0.896 18.428 -11.130) 21.547 ======================= Grid point 71 (37/111) ======================= q-point: (-0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -10.705 -11.902 1.648) 16.092 1.631 ( -10.705 11.902 1.648) 16.092 2.070 ( -20.083 -12.189 3.786) 23.796 2.070 ( -20.083 12.189 3.786) 23.796 2.611 ( 14.818 -10.982 1.009) 18.471 2.611 ( 14.818 10.982 1.009) 18.471 2.871 ( -5.274 -8.978 -3.533) 10.996 2.871 ( -5.274 8.978 -3.533) 10.996 3.204 ( -17.025 -6.952 -14.217) 23.244 3.204 ( -17.025 6.952 -14.217) 23.244 3.416 ( 0.907 -3.539 -4.943) 6.146 3.416 ( 0.907 3.539 -4.943) 6.146 3.536 ( -1.149 -3.630 -6.012) 7.116 3.536 ( -1.149 3.630 -6.012) 7.116 3.683 ( -2.962 -4.131 -2.776) 5.792 3.683 ( -2.962 4.131 -2.776) 5.792 4.000 ( 0.264 -3.847 -1.776) 4.246 4.000 ( 0.264 3.847 -1.776) 4.246 4.190 ( 0.066 -8.612 1.139) 8.687 4.190 ( 0.066 8.612 1.139) 8.687 4.317 ( -1.143 -5.908 2.641) 6.571 4.317 ( -1.143 5.908 2.641) 6.571 4.488 ( -1.915 -3.120 -1.620) 4.003 4.488 ( -1.915 3.120 -1.620) 4.003 4.696 ( 4.752 -4.499 0.622) 6.573 4.696 ( 4.752 4.499 0.622) 6.573 4.762 ( -3.320 -3.327 0.386) 4.716 4.762 ( -3.320 3.327 0.386) 4.716 5.052 ( 5.160 -1.833 2.886) 6.190 5.052 ( 5.160 1.833 2.886) 6.190 5.166 ( 0.540 -3.167 -1.486) 3.539 5.166 ( 0.540 3.167 -1.486) 3.539 5.343 ( 6.478 -0.721 -0.139) 6.520 5.343 ( 6.478 0.721 -0.139) 6.520 5.700 ( 2.271 -3.913 0.415) 4.543 5.700 ( 2.271 3.913 0.415) 4.543 5.816 ( 1.400 -3.940 -1.346) 4.393 5.816 ( 1.400 3.940 -1.346) 4.393 5.982 ( 0.236 -6.273 -0.237) 6.282 5.982 ( 0.236 6.273 -0.237) 6.282 6.248 ( -0.337 -7.097 3.525) 7.931 6.248 ( -0.337 7.097 3.525) 7.931 6.621 ( -2.760 -1.061 4.520) 5.401 6.621 ( -2.760 1.061 4.520) 5.401 6.807 ( 3.312 -5.106 1.374) 6.240 6.807 ( 3.312 5.106 1.374) 6.240 7.162 ( 1.172 -3.517 -3.525) 5.116 7.162 ( 1.172 3.517 -3.525) 5.116 7.666 ( 3.618 -7.163 1.632) 8.189 7.666 ( 3.618 7.163 1.632) 8.189 7.966 ( 2.814 -1.836 -4.968) 5.998 7.966 ( 2.814 1.836 -4.968) 5.998 8.218 ( 3.332 -4.684 -6.021) 8.324 8.218 ( 3.332 4.684 -6.021) 8.324 8.382 ( 0.914 -8.119 -0.588) 8.191 8.382 ( 0.914 8.119 -0.588) 8.191 8.640 ( -1.018 -1.867 4.776) 5.228 8.640 ( -1.018 1.867 4.776) 5.228 8.710 ( -0.952 -2.991 2.509) 4.018 8.710 ( -0.952 2.991 2.509) 4.018 9.107 ( -2.778 -1.422 7.361) 7.995 9.107 ( -2.778 1.422 7.361) 7.995 9.246 ( 1.386 -6.230 1.367) 6.527 9.246 ( 1.386 6.230 1.367) 6.527 9.452 ( 2.590 -6.438 3.724) 7.876 9.452 ( 2.590 6.438 3.724) 7.876 9.794 ( 0.813 -4.928 -1.004) 5.094 9.794 ( 0.813 4.928 -1.004) 5.094 10.224 ( 0.090 -4.664 -0.738) 4.723 10.224 ( 0.090 4.664 -0.738) 4.723 10.356 ( -0.488 -2.179 -1.667) 2.787 10.356 ( -0.488 2.179 -1.667) 2.787 10.660 ( -4.339 -2.433 3.857) 6.294 10.660 ( -4.339 2.433 3.857) 6.294 11.094 ( -2.378 -6.753 -2.744) 7.667 11.094 ( -2.378 6.753 -2.744) 7.667 11.400 ( -10.643 -2.152 -6.982) 12.909 11.400 ( -10.643 2.152 -6.982) 12.909 12.003 ( -7.776 -6.826 -3.735) 11.001 12.003 ( -7.776 6.826 -3.735) 11.001 12.260 ( 2.718 -2.275 7.655) 8.435 12.260 ( 2.718 2.275 7.655) 8.435 12.462 ( 0.102 -11.748 3.531) 12.268 12.462 ( 0.102 11.748 3.531) 12.268 12.760 ( 1.153 -2.340 2.098) 3.348 12.760 ( 1.153 2.340 2.098) 3.348 13.318 ( 5.010 -1.865 2.525) 5.913 13.318 ( 5.010 1.865 2.525) 5.913 13.806 ( -2.686 -6.209 4.028) 7.873 13.806 ( -2.686 6.209 4.028) 7.873 14.505 ( 0.230 -7.039 -2.523) 7.481 14.505 ( 0.230 7.039 -2.523) 7.481 15.602 ( -1.367 -18.051 -1.643) 18.177 15.602 ( -1.367 18.051 -1.643) 18.177 16.192 ( 7.779 -11.683 -14.366) 20.084 16.192 ( 7.779 11.683 -14.366) 20.084 ======================= Grid point 73 (38/111) ======================= q-point: (-0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -11.598 -20.317 2.011) 23.481 1.430 ( -11.598 20.317 2.011) 23.481 1.674 ( -21.283 -16.156 -0.669) 26.729 1.674 ( -21.283 16.156 -0.669) 26.729 2.502 ( -25.488 -13.919 -3.725) 29.279 2.502 ( -25.488 13.919 -3.725) 29.279 2.804 ( -2.241 -2.290 -8.518) 9.101 2.804 ( -2.241 2.290 -8.518) 9.101 2.945 ( 10.450 -5.748 -0.497) 11.937 2.945 ( 10.450 5.748 -0.497) 11.937 3.383 ( 0.735 -3.808 -5.259) 6.534 3.383 ( 0.735 3.808 -5.259) 6.534 3.473 ( -2.358 -3.465 -2.734) 5.004 3.473 ( -2.358 3.465 -2.734) 5.004 3.666 ( 0.699 -5.179 0.855) 5.296 3.666 ( 0.699 5.179 0.855) 5.296 4.049 ( 3.931 -5.181 -0.179) 6.506 4.049 ( 3.931 5.181 -0.179) 6.506 4.164 ( -7.841 -5.049 5.579) 10.868 4.164 ( -7.841 5.049 5.579) 10.868 4.296 ( 0.625 -3.084 -1.655) 3.556 4.296 ( 0.625 3.084 -1.655) 3.556 4.476 ( 2.726 -1.535 -6.215) 6.958 4.476 ( 2.726 1.535 -6.215) 6.958 4.718 ( -0.442 -1.738 4.230) 4.595 4.718 ( -0.442 1.738 4.230) 4.595 4.828 ( 5.278 -5.997 1.689) 8.166 4.828 ( 5.278 5.997 1.689) 8.166 5.087 ( 3.172 -2.452 -9.057) 9.905 5.087 ( 3.172 2.452 -9.057) 9.905 5.254 ( 4.972 -4.313 5.559) 8.615 5.254 ( 4.972 4.313 5.559) 8.615 5.414 ( 2.892 -4.404 -4.321) 6.814 5.414 ( 2.892 4.404 -4.321) 6.814 5.742 ( 0.142 -3.065 1.784) 3.549 5.742 ( 0.142 3.065 1.784) 3.549 5.870 ( 5.661 -6.683 -2.062) 8.998 5.870 ( 5.661 6.683 -2.062) 8.998 5.968 ( -1.408 -4.480 0.205) 4.700 5.968 ( -1.408 4.480 0.205) 4.700 6.261 ( 0.104 -5.054 1.630) 5.312 6.261 ( 0.104 5.054 1.630) 5.312 6.619 ( -3.103 -1.520 6.536) 7.393 6.619 ( -3.103 1.520 6.536) 7.393 6.881 ( 1.413 -7.398 3.515) 8.312 6.881 ( 1.413 7.398 3.515) 8.312 7.170 ( 2.770 -8.418 -3.300) 9.457 7.170 ( 2.770 8.418 -3.300) 9.457 7.739 ( 4.685 -6.817 -2.572) 8.663 7.739 ( 4.685 6.817 -2.572) 8.663 8.005 ( 4.269 -3.283 -2.441) 5.913 8.005 ( 4.269 3.283 -2.441) 5.913 8.198 ( -0.072 -3.600 -6.497) 7.428 8.198 ( -0.072 3.600 -6.497) 7.428 8.335 ( -3.038 -5.591 -1.718) 6.591 8.335 ( -3.038 5.591 -1.718) 6.591 8.651 ( -1.960 -4.071 5.051) 6.777 8.651 ( -1.960 4.071 5.051) 6.777 8.756 ( 1.620 -1.712 3.403) 4.140 8.756 ( 1.620 1.712 3.403) 4.140 9.131 ( -1.441 -2.290 7.080) 7.579 9.131 ( -1.441 2.290 7.080) 7.579 9.243 ( -2.734 -10.021 0.213) 10.390 9.243 ( -2.734 10.021 0.213) 10.390 9.607 ( 7.691 -0.174 8.175) 11.225 9.607 ( 7.691 0.174 8.175) 11.225 9.800 ( 0.438 -4.130 -0.253) 4.161 9.800 ( 0.438 4.130 -0.253) 4.161 10.211 ( -0.664 -4.170 -3.725) 5.631 10.211 ( -0.664 4.170 -3.725) 5.631 10.320 ( -1.208 -4.471 -2.125) 5.096 10.320 ( -1.208 4.471 -2.125) 5.096 10.606 ( -3.234 -1.972 0.745) 3.861 10.606 ( -3.234 1.972 0.745) 3.861 10.955 ( -7.858 -10.339 -4.796) 13.844 10.955 ( -7.858 10.339 -4.796) 13.844 11.171 ( -8.057 -2.900 -1.028) 8.624 11.171 ( -8.057 2.900 -1.028) 8.624 11.805 ( -8.584 -3.817 -1.363) 9.493 11.805 ( -8.584 3.817 -1.363) 9.493 12.394 ( 4.044 -3.976 -0.142) 5.673 12.394 ( 4.044 3.976 -0.142) 5.673 12.508 ( -0.022 -5.557 12.343) 13.536 12.508 ( -0.022 5.557 12.343) 13.536 12.815 ( 2.944 -0.466 1.361) 3.277 12.815 ( 2.944 0.466 1.361) 3.277 13.417 ( 2.274 -1.202 2.465) 3.562 13.417 ( 2.274 1.202 2.465) 3.562 13.808 ( -0.108 -6.096 4.165) 7.384 13.808 ( -0.108 6.096 4.165) 7.384 14.494 ( 0.522 -6.576 -1.841) 6.849 14.494 ( 0.522 6.576 -1.841) 6.849 15.477 ( -8.124 -3.681 -5.178) 10.313 15.477 ( -8.124 3.681 -5.178) 10.313 16.307 ( 15.895 -4.286 -13.802) 21.483 16.307 ( 15.895 4.286 -13.802) 21.483 ======================= Grid point 75 (39/111) ======================= q-point: (-0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -10.620 -11.524 4.384) 16.273 1.219 ( -10.620 11.524 4.384) 16.273 1.323 ( -13.464 -10.105 4.933) 17.542 1.323 ( -13.464 10.105 4.933) 17.542 2.104 ( -14.826 -27.291 6.947) 31.826 2.104 ( -14.826 27.291 6.947) 31.826 2.712 ( 0.491 -2.586 -5.850) 6.415 2.712 ( 0.491 2.586 -5.850) 6.415 3.120 ( 6.477 -4.494 -2.207) 8.186 3.120 ( 6.477 4.494 -2.207) 8.186 3.387 ( 2.397 -4.234 -3.510) 5.999 3.387 ( 2.397 4.234 -3.510) 5.999 3.431 ( 0.920 -1.310 1.563) 2.237 3.431 ( 0.920 1.310 1.563) 2.237 3.692 ( 1.085 -4.254 -1.077) 4.521 3.692 ( 1.085 4.254 -1.077) 4.521 4.003 ( -9.831 -3.542 5.847) 11.974 4.003 ( -9.831 3.542 5.847) 11.974 4.130 ( 2.146 -1.674 -0.601) 2.787 4.130 ( 2.146 1.674 -0.601) 2.787 4.300 ( -0.374 -6.972 0.552) 7.003 4.300 ( -0.374 6.972 0.552) 7.003 4.469 ( 2.587 -4.042 -5.417) 7.237 4.469 ( 2.587 4.042 -5.417) 7.237 4.782 ( 1.900 -5.185 5.012) 7.458 4.782 ( 1.900 5.185 5.012) 7.458 4.932 ( 3.471 -2.593 0.531) 4.365 4.932 ( 3.471 2.593 0.531) 4.365 5.059 ( 2.177 -7.902 -9.502) 12.549 5.059 ( 2.177 7.902 -9.502) 12.549 5.389 ( 5.260 -6.220 -2.306) 8.466 5.389 ( 5.260 6.220 -2.306) 8.466 5.451 ( 4.594 -7.271 3.848) 9.422 5.451 ( 4.594 7.271 3.848) 9.422 5.727 ( -2.569 -1.629 1.089) 3.231 5.727 ( -2.569 1.629 1.089) 3.231 5.893 ( -1.465 -2.378 -2.705) 3.889 5.893 ( -1.465 2.378 -2.705) 3.889 6.006 ( 5.035 -5.230 -0.861) 7.311 6.006 ( 5.035 5.230 -0.861) 7.311 6.278 ( -0.585 -1.385 1.714) 2.281 6.278 ( -0.585 1.385 1.714) 2.281 6.595 ( -4.288 -1.001 4.480) 6.282 6.595 ( -4.288 1.001 4.480) 6.282 6.897 ( -1.954 -9.050 1.405) 9.364 6.897 ( -1.954 9.050 1.405) 9.364 7.208 ( 2.867 -11.054 -1.616) 11.534 7.208 ( 2.867 11.054 -1.616) 11.534 7.818 ( 5.523 -5.157 -2.675) 8.016 7.818 ( 5.523 5.157 -2.675) 8.016 8.050 ( -1.892 -3.084 -0.034) 3.618 8.050 ( -1.892 3.084 -0.034) 3.618 8.119 ( 2.942 -0.540 -11.464) 11.848 8.119 ( 2.942 0.540 -11.464) 11.848 8.294 ( -1.143 -3.885 2.721) 4.878 8.294 ( -1.143 3.885 2.721) 4.878 8.676 ( 0.288 -4.215 4.890) 6.462 8.676 ( 0.288 4.215 4.890) 6.462 8.771 ( -2.517 -1.809 0.954) 3.243 8.771 ( -2.517 1.809 0.954) 3.243 9.122 ( -4.589 -14.403 -3.008) 15.412 9.122 ( -4.589 14.403 -3.008) 15.412 9.174 ( -2.032 -4.641 1.985) 5.441 9.174 ( -2.032 4.641 1.985) 5.441 9.759 ( -1.073 -3.094 2.543) 4.146 9.759 ( -1.073 3.094 2.543) 4.146 9.891 ( 7.470 -2.110 6.060) 9.848 9.891 ( 7.470 2.110 6.060) 9.848 10.074 ( -5.091 -2.798 -7.831) 9.751 10.074 ( -5.091 2.798 -7.831) 9.751 10.327 ( 2.618 -4.205 -0.156) 4.956 10.327 ( 2.618 4.205 -0.156) 4.956 10.566 ( -0.087 -5.119 -0.284) 5.127 10.566 ( -0.087 5.119 -0.284) 5.127 10.828 ( -4.706 -12.236 7.606) 15.156 10.828 ( -4.706 12.236 7.606) 15.156 11.045 ( -5.848 -4.972 1.839) 7.893 11.045 ( -5.848 4.972 1.839) 7.893 11.675 ( -4.874 -2.373 2.354) 5.910 11.675 ( -4.874 2.373 2.354) 5.910 12.402 ( 0.457 -9.278 -3.825) 10.046 12.402 ( 0.457 9.278 -3.825) 10.046 12.636 ( -0.024 -1.389 9.849) 9.947 12.636 ( -0.024 1.389 9.849) 9.947 12.889 ( 3.338 -0.988 0.147) 3.484 12.889 ( 3.338 0.988 0.147) 3.484 13.413 ( -3.471 -4.610 -1.289) 5.913 13.413 ( -3.471 4.610 -1.289) 5.913 13.896 ( 3.605 -6.085 6.969) 9.929 13.896 ( 3.605 6.085 6.969) 9.929 14.501 ( 0.983 -5.898 0.950) 6.055 14.501 ( 0.983 5.898 0.950) 6.055 15.261 ( -6.987 -6.825 -4.862) 10.911 15.261 ( -6.987 6.825 -4.862) 10.911 16.522 ( 16.765 -9.821 -14.007) 23.952 16.522 ( 16.765 9.821 -14.007) 23.952 ======================= Grid point 85 (40/111) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -3.221 0.000 25.472) 25.675 1.145 ( -6.172 0.000 27.903) 28.577 1.938 ( -7.351 0.000 11.702) 13.819 1.979 ( 6.009 0.000 26.344) 27.021 2.151 ( -1.391 0.000 9.423) 9.525 2.421 ( 14.109 0.000 -6.177) 15.401 2.673 ( 12.564 0.000 21.625) 25.010 2.778 ( 7.946 0.000 -1.642) 8.113 3.092 ( 7.991 0.000 -7.618) 11.041 3.218 ( 5.849 0.000 0.412) 5.863 3.288 ( -9.243 0.000 1.308) 9.336 3.338 ( -3.153 0.000 -0.989) 3.305 3.482 ( 0.147 0.000 2.426) 2.431 3.531 ( 2.242 0.000 6.441) 6.820 3.580 ( -0.410 0.000 3.980) 4.001 3.612 ( -2.921 0.000 -8.414) 8.907 3.883 ( 0.800 0.000 -4.948) 5.013 3.959 ( -9.096 0.000 0.593) 9.116 4.088 ( -2.346 0.000 -4.375) 4.964 4.136 ( 11.126 0.000 -6.170) 12.722 4.209 ( -2.296 0.000 0.622) 2.379 4.501 ( 5.004 0.000 -3.639) 6.187 4.505 ( -2.935 0.000 2.486) 3.847 4.621 ( -2.242 0.000 -2.874) 3.645 4.820 ( -0.213 0.000 2.730) 2.738 4.995 ( -2.227 0.000 1.469) 2.668 4.999 ( 4.768 0.000 -3.110) 5.693 5.003 ( 6.642 0.000 3.925) 7.716 5.105 ( 5.199 0.000 4.654) 6.977 5.213 ( -1.390 0.000 11.017) 11.104 5.385 ( 0.270 0.000 -9.627) 9.630 5.415 ( 3.024 0.000 -4.466) 5.393 5.476 ( 13.766 0.000 5.329) 14.761 5.496 ( -3.998 0.000 -6.785) 7.875 5.592 ( 0.650 0.000 -2.147) 2.243 5.769 ( -2.616 0.000 3.719) 4.547 5.826 ( 6.353 0.000 -2.892) 6.981 5.879 ( -2.918 0.000 3.752) 4.753 6.025 ( 0.168 0.000 -1.585) 1.593 6.054 ( 0.711 0.000 5.011) 5.061 6.202 ( -4.744 0.000 11.762) 12.683 6.306 ( -1.876 0.000 -6.089) 6.371 6.568 ( 0.412 0.000 -2.721) 2.752 6.663 ( -3.818 0.000 4.348) 5.786 6.671 ( -7.505 0.000 3.971) 8.491 6.804 ( 1.786 0.000 -3.026) 3.514 7.144 ( -2.850 0.000 1.095) 3.053 7.528 ( 0.665 0.000 -5.818) 5.856 7.759 ( 0.595 0.000 -8.461) 8.482 7.777 ( -1.513 0.000 -1.515) 2.141 7.845 ( -0.502 0.000 0.572) 0.761 7.960 ( -11.860 0.000 -5.128) 12.921 8.046 ( -0.842 0.000 0.250) 0.878 8.061 ( 3.890 0.000 -6.776) 7.813 8.150 ( -0.336 0.000 -3.260) 3.277 8.463 ( 1.197 0.000 -3.459) 3.660 8.518 ( 0.960 0.000 -3.178) 3.320 8.579 ( 8.033 0.000 0.763) 8.070 8.658 ( 1.257 0.000 -5.951) 6.082 8.683 ( -1.458 0.000 -4.263) 4.506 8.776 ( -7.750 0.000 -4.081) 8.759 8.933 ( -4.039 0.000 -2.745) 4.883 9.226 ( -4.054 0.000 1.818) 4.443 9.319 ( -2.370 0.000 -0.737) 2.482 9.694 ( -2.804 0.000 0.471) 2.844 9.770 ( -2.520 0.000 3.756) 4.523 9.850 ( -1.768 0.000 2.207) 2.828 9.850 ( -0.514 0.000 1.888) 1.956 10.135 ( 2.930 0.000 -0.522) 2.976 10.254 ( -0.889 0.000 -0.838) 1.222 10.405 ( -1.565 0.000 5.888) 6.092 10.449 ( 2.125 0.000 5.122) 5.545 10.505 ( 6.429 0.000 9.127) 11.164 10.649 ( 8.616 0.000 3.960) 9.482 10.779 ( 2.094 0.000 0.465) 2.145 10.935 ( 0.968 0.000 2.270) 2.468 11.280 ( 1.593 0.000 11.742) 11.850 11.433 ( 1.433 0.000 15.540) 15.606 11.783 ( 1.976 0.000 1.422) 2.434 11.999 ( -2.816 0.000 3.793) 4.724 12.182 ( -4.074 0.000 1.759) 4.438 12.505 ( -10.085 0.000 -5.741) 11.604 12.656 ( 0.798 0.000 -5.926) 5.979 12.752 ( -6.806 0.000 -3.823) 7.806 12.783 ( 2.724 0.000 -5.820) 6.426 12.794 ( -7.066 0.000 -5.923) 9.220 13.458 ( -5.454 0.000 5.180) 7.522 13.675 ( -2.013 0.000 -1.926) 2.786 13.894 ( -9.508 0.000 -2.499) 9.830 14.179 ( 2.605 0.000 -4.926) 5.572 14.493 ( -0.650 0.000 4.653) 4.699 14.557 ( -10.180 0.000 10.375) 14.535 15.048 ( -0.763 0.000 4.791) 4.852 15.117 ( 9.810 0.000 3.485) 10.411 16.138 ( 38.483 0.000 -6.895) 39.096 16.491 ( 2.820 0.000 -15.205) 15.465 ======================= Grid point 86 (41/111) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 7.841 0.000 21.965) 23.323 1.371 ( 6.051 0.000 25.487) 26.196 1.835 ( -6.144 0.000 -12.748) 14.152 1.992 ( 2.353 0.000 11.409) 11.649 2.609 ( 13.878 0.000 -10.277) 17.268 2.747 ( 16.294 0.000 31.899) 35.819 2.877 ( 5.592 0.000 -2.168) 5.998 2.950 ( -11.156 0.000 0.465) 11.166 3.122 ( 10.102 0.000 13.955) 17.228 3.226 ( -3.966 0.000 -8.419) 9.306 3.374 ( 8.487 0.000 5.799) 10.279 3.379 ( 11.397 0.000 0.018) 11.397 3.494 ( -1.558 0.000 -6.446) 6.631 3.500 ( 2.165 0.000 1.599) 2.692 3.604 ( -5.017 0.000 6.196) 7.972 3.649 ( 1.130 0.000 -0.276) 1.163 3.758 ( -7.167 0.000 9.611) 11.989 3.841 ( -0.623 0.000 0.140) 0.638 4.066 ( 5.101 0.000 -11.309) 12.406 4.201 ( 1.206 0.000 -6.317) 6.431 4.216 ( 0.201 0.000 2.977) 2.984 4.434 ( -2.065 0.000 -1.420) 2.506 4.547 ( 2.836 0.000 -3.431) 4.451 4.592 ( 0.455 0.000 -1.898) 1.952 4.848 ( -0.844 0.000 2.965) 3.083 4.949 ( -1.430 0.000 -3.567) 3.843 5.071 ( 3.485 0.000 -2.113) 4.075 5.086 ( -8.466 0.000 -13.390) 15.841 5.142 ( 3.754 0.000 4.050) 5.522 5.249 ( -2.946 0.000 7.097) 7.684 5.267 ( -1.694 0.000 12.284) 12.401 5.412 ( -2.815 0.000 -5.572) 6.243 5.443 ( 3.269 0.000 -4.014) 5.177 5.598 ( 5.459 0.000 -6.685) 8.630 5.617 ( -5.713 0.000 11.360) 12.715 5.694 ( -3.493 0.000 -0.604) 3.544 5.864 ( -3.923 0.000 3.273) 5.109 5.889 ( -7.986 0.000 0.994) 8.048 5.947 ( 1.259 0.000 2.128) 2.473 6.150 ( -2.024 0.000 0.240) 2.039 6.195 ( 2.017 0.000 -2.435) 3.162 6.372 ( 3.228 0.000 3.644) 4.868 6.461 ( -7.799 0.000 -2.933) 8.332 6.612 ( 1.708 0.000 10.437) 10.576 6.613 ( 0.397 0.000 1.282) 1.342 6.954 ( 8.396 0.000 3.022) 8.923 7.100 ( -2.959 0.000 2.804) 4.076 7.410 ( -5.545 0.000 -9.414) 10.926 7.622 ( -2.835 0.000 -7.998) 8.486 7.630 ( -9.158 0.000 -9.377) 13.107 7.779 ( -2.300 0.000 2.583) 3.459 7.887 ( 3.258 0.000 -4.488) 5.546 7.986 ( -1.548 0.000 -4.018) 4.306 8.056 ( 2.332 0.000 -7.053) 7.428 8.131 ( -1.509 0.000 -0.047) 1.510 8.484 ( -3.000 0.000 -4.665) 5.546 8.504 ( 5.243 0.000 -5.595) 7.667 8.609 ( -1.234 0.000 -5.563) 5.699 8.703 ( 8.565 0.000 -0.911) 8.613 8.703 ( 1.297 0.000 -5.410) 5.563 8.752 ( 6.896 0.000 3.170) 7.590 8.894 ( 0.665 0.000 1.590) 1.723 9.178 ( -3.467 0.000 3.941) 5.249 9.265 ( -1.694 0.000 -2.044) 2.655 9.643 ( -3.379 0.000 2.225) 4.046 9.725 ( -3.378 0.000 1.864) 3.858 9.848 ( -0.677 0.000 2.793) 2.874 9.877 ( -1.013 0.000 4.116) 4.239 10.158 ( 0.749 0.000 -1.081) 1.315 10.247 ( 1.400 0.000 -2.080) 2.507 10.387 ( -5.634 0.000 5.930) 8.179 10.495 ( -0.430 0.000 3.248) 3.276 10.636 ( 1.225 0.000 4.723) 4.880 10.778 ( 2.473 0.000 3.151) 4.005 10.889 ( 6.062 0.000 1.876) 6.346 11.016 ( 4.597 0.000 0.765) 4.660 11.457 ( 4.491 0.000 15.578) 16.212 11.633 ( 4.650 0.000 15.237) 15.930 11.873 ( 4.164 0.000 3.912) 5.714 11.913 ( -6.861 0.000 3.687) 7.789 12.121 ( -2.731 0.000 0.558) 2.788 12.349 ( -4.259 0.000 -4.663) 6.315 12.571 ( -7.358 0.000 -0.217) 7.361 12.658 ( -1.325 0.000 -5.545) 5.701 12.659 ( 4.453 0.000 -4.446) 6.292 12.787 ( 2.333 0.000 -4.513) 5.080 13.384 ( -6.050 0.000 4.165) 7.345 13.627 ( -1.816 0.000 0.009) 1.816 13.781 ( -3.662 0.000 0.858) 3.761 14.184 ( 2.166 0.000 -4.903) 5.360 14.446 ( -11.081 0.000 11.742) 16.145 14.502 ( -2.290 0.000 4.139) 4.730 15.048 ( -2.940 0.000 3.330) 4.442 15.350 ( 11.037 0.000 0.426) 11.046 16.364 ( -2.268 0.000 -14.191) 14.371 16.528 ( 15.785 0.000 -17.664) 23.690 ======================= Grid point 87 (42/111) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -1.219 0.000 -10.762) 10.831 1.677 ( 13.186 0.000 17.118) 21.608 1.766 ( 11.998 0.000 22.105) 25.152 2.191 ( 7.484 0.000 9.505) 12.098 2.620 ( -15.360 0.000 1.808) 15.466 2.783 ( 11.529 0.000 -10.599) 15.661 2.917 ( 2.156 0.000 -3.961) 4.510 3.039 ( -5.390 0.000 -9.688) 11.087 3.222 ( -5.343 0.000 1.439) 5.533 3.305 ( -3.108 0.000 -7.597) 8.208 3.356 ( 16.960 0.000 11.024) 20.228 3.440 ( -4.582 0.000 -4.508) 6.428 3.512 ( 1.562 0.000 -2.019) 2.553 3.567 ( -1.959 0.000 -1.426) 2.422 3.708 ( 12.322 0.000 2.854) 12.648 3.709 ( 4.416 0.000 12.456) 13.216 3.883 ( -1.526 0.000 7.869) 8.015 3.888 ( 5.533 0.000 13.147) 14.264 4.077 ( 2.180 0.000 -6.464) 6.822 4.176 ( 4.952 0.000 -6.603) 8.253 4.207 ( -0.683 0.000 -4.722) 4.771 4.462 ( 5.348 0.000 -0.275) 5.355 4.560 ( 2.212 0.000 -4.628) 5.130 4.586 ( 0.316 0.000 -1.227) 1.267 4.793 ( -6.517 0.000 -2.838) 7.108 4.807 ( -7.491 0.000 -8.771) 11.534 4.874 ( -4.316 0.000 1.041) 4.439 5.059 ( -3.668 0.000 2.794) 4.611 5.115 ( -6.897 0.000 -3.801) 7.875 5.266 ( 1.474 0.000 3.021) 3.362 5.358 ( 1.892 0.000 2.608) 3.223 5.363 ( -0.121 0.000 -2.267) 2.270 5.428 ( -7.084 0.000 -2.846) 7.634 5.518 ( -7.092 0.000 1.014) 7.164 5.643 ( -2.761 0.000 8.316) 8.763 5.694 ( 2.448 0.000 -0.223) 2.458 5.724 ( -6.775 0.000 5.739) 8.879 5.724 ( -9.516 0.000 6.314) 11.420 5.996 ( -3.268 0.000 -9.057) 9.628 6.010 ( -1.093 0.000 2.894) 3.093 6.219 ( -3.931 0.000 -1.361) 4.160 6.370 ( 1.584 0.000 1.740) 2.352 6.406 ( 0.478 0.000 7.341) 7.357 6.650 ( 2.138 0.000 1.038) 2.376 6.832 ( 3.217 0.000 11.314) 11.763 6.993 ( -4.114 0.000 -2.868) 5.015 7.171 ( 4.582 0.000 6.071) 7.606 7.181 ( -7.403 0.000 -13.815) 15.674 7.462 ( 1.710 0.000 -7.210) 7.410 7.596 ( 6.655 0.000 -4.764) 8.185 7.782 ( -0.158 0.000 3.627) 3.631 7.880 ( 1.998 0.000 -8.518) 8.750 7.952 ( 2.756 0.000 -6.922) 7.451 8.033 ( 1.272 0.000 -6.015) 6.148 8.111 ( -1.194 0.000 2.147) 2.456 8.379 ( -2.822 0.000 -3.595) 4.571 8.548 ( 3.051 0.000 -5.228) 6.054 8.566 ( 2.472 0.000 -4.896) 5.484 8.681 ( 1.561 0.000 -6.291) 6.481 8.859 ( 1.270 0.000 4.699) 4.867 8.906 ( 8.823 0.000 5.074) 10.178 8.980 ( 5.977 0.000 0.797) 6.030 9.147 ( -3.274 0.000 3.836) 5.043 9.216 ( -2.682 0.000 0.073) 2.683 9.616 ( -1.853 0.000 3.763) 4.194 9.685 ( -2.156 0.000 0.835) 2.312 9.852 ( -1.258 0.000 1.257) 1.778 9.863 ( -3.911 0.000 3.968) 5.572 10.152 ( -0.224 0.000 -2.156) 2.167 10.263 ( 2.399 0.000 -3.769) 4.468 10.308 ( -6.589 0.000 6.687) 9.388 10.483 ( -2.957 0.000 2.292) 3.741 10.682 ( 0.905 0.000 2.310) 2.481 10.840 ( 1.241 0.000 3.003) 3.249 10.976 ( 0.583 0.000 2.624) 2.688 11.095 ( 4.217 0.000 -2.540) 4.923 11.698 ( 4.552 0.000 17.945) 18.514 11.802 ( 0.509 0.000 3.304) 3.343 11.878 ( 0.082 0.000 4.412) 4.413 11.941 ( 1.828 0.000 4.236) 4.613 12.151 ( 2.031 0.000 6.834) 7.129 12.162 ( -8.955 0.000 -5.982) 10.770 12.478 ( -0.851 0.000 -5.051) 5.122 12.686 ( 5.374 0.000 1.004) 5.467 12.730 ( 5.178 0.000 -5.532) 7.577 12.810 ( 2.507 0.000 1.536) 2.940 13.314 ( -4.198 0.000 4.543) 6.185 13.600 ( -1.437 0.000 -0.438) 1.502 13.695 ( -7.376 0.000 2.666) 7.843 14.182 ( 2.031 0.000 -4.941) 5.342 14.348 ( -7.793 0.000 9.959) 12.645 14.477 ( -3.275 0.000 2.951) 4.408 14.994 ( -3.793 0.000 0.157) 3.796 15.518 ( 7.526 0.000 -4.208) 8.623 16.191 ( -3.489 0.000 -11.598) 12.112 16.564 ( 5.720 0.000 -18.486) 19.351 ======================= Grid point 88 (43/111) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 8.119 0.000 -5.523) 9.819 2.041 ( 7.853 0.000 12.594) 14.841 2.125 ( 2.865 0.000 19.687) 19.895 2.338 ( -0.987 0.000 3.323) 3.466 2.391 ( -9.182 0.000 3.600) 9.862 2.752 ( 2.950 0.000 -11.071) 11.457 2.881 ( -1.804 0.000 -5.124) 5.432 3.003 ( -6.878 0.000 1.299) 7.000 3.113 ( 8.505 0.000 -4.702) 9.719 3.214 ( -5.750 0.000 -13.003) 14.218 3.265 ( 2.166 0.000 -7.821) 8.115 3.539 ( 4.199 0.000 -4.688) 6.293 3.556 ( -0.321 0.000 0.358) 0.481 3.653 ( 5.780 0.000 0.488) 5.800 3.819 ( 5.772 0.000 -2.911) 6.464 3.854 ( 0.908 0.000 7.730) 7.783 3.893 ( -11.842 0.000 -0.967) 11.881 4.012 ( 4.979 0.000 3.168) 5.902 4.076 ( 1.833 0.000 3.483) 3.936 4.164 ( 1.328 0.000 -11.701) 11.776 4.235 ( 5.439 0.000 -6.731) 8.654 4.511 ( -19.221 0.000 -0.165) 19.222 4.525 ( 1.180 0.000 -9.312) 9.387 4.569 ( -2.146 0.000 -3.472) 4.082 4.590 ( 5.328 0.000 -0.755) 5.381 4.726 ( 3.695 0.000 -0.288) 3.706 4.863 ( 1.437 0.000 7.428) 7.566 4.984 ( -4.376 0.000 -0.470) 4.402 5.025 ( -2.612 0.000 4.079) 4.844 5.123 ( -14.204 0.000 0.738) 14.223 5.183 ( -10.199 0.000 -5.941) 11.803 5.332 ( -1.803 0.000 1.503) 2.348 5.378 ( -1.481 0.000 2.148) 2.609 5.485 ( 0.465 0.000 -1.034) 1.134 5.572 ( -3.554 0.000 6.144) 7.098 5.643 ( -5.763 0.000 3.461) 6.723 5.754 ( 3.443 0.000 6.798) 7.620 5.783 ( -0.021 0.000 -2.200) 2.200 5.957 ( -5.616 0.000 6.709) 8.749 5.966 ( 6.158 0.000 -1.797) 6.415 6.111 ( -5.769 0.000 0.441) 5.786 6.476 ( -0.729 0.000 7.449) 7.485 6.510 ( 6.104 0.000 8.483) 10.451 6.711 ( 2.405 0.000 2.781) 3.677 6.804 ( -6.970 0.000 -8.741) 11.180 6.859 ( -3.784 0.000 -7.544) 8.440 6.994 ( 0.085 0.000 -6.256) 6.256 7.269 ( 1.440 0.000 2.128) 2.569 7.513 ( 5.735 0.000 -5.318) 7.822 7.761 ( 8.973 0.000 2.746) 9.384 7.831 ( 2.795 0.000 -12.093) 12.411 7.870 ( 3.740 0.000 7.791) 8.642 7.958 ( 3.038 0.000 -6.106) 6.820 8.015 ( 1.926 0.000 -5.383) 5.717 8.135 ( 1.691 0.000 4.187) 4.516 8.340 ( 1.267 0.000 -1.362) 1.860 8.535 ( 0.917 0.000 -5.816) 5.888 8.606 ( 3.846 0.000 -2.171) 4.416 8.666 ( 2.467 0.000 -5.710) 6.220 8.930 ( 1.536 0.000 6.780) 6.952 9.058 ( -4.118 0.000 13.646) 14.254 9.069 ( 3.444 0.000 -6.337) 7.213 9.161 ( 6.454 0.000 -2.277) 6.844 9.188 ( -1.187 0.000 7.496) 7.590 9.613 ( -4.432 0.000 6.934) 8.229 9.638 ( -3.312 0.000 -0.501) 3.349 9.810 ( -2.995 0.000 0.413) 3.023 9.812 ( -2.454 0.000 0.786) 2.577 10.112 ( -1.710 0.000 -0.921) 1.942 10.261 ( 1.475 0.000 -5.931) 6.112 10.288 ( -1.625 0.000 5.918) 6.138 10.442 ( -2.895 0.000 2.408) 3.766 10.710 ( 0.512 0.000 0.701) 0.868 10.875 ( 0.232 0.000 1.716) 1.732 10.963 ( -4.078 0.000 3.585) 5.430 11.134 ( 2.882 0.000 -4.832) 5.626 11.695 ( -6.498 0.000 -6.333) 9.074 11.830 ( -9.610 0.000 -1.602) 9.743 11.912 ( 3.727 0.000 8.654) 9.423 12.062 ( 0.809 0.000 6.243) 6.295 12.089 ( 4.901 0.000 9.071) 10.310 12.218 ( -0.042 0.000 6.266) 6.266 12.429 ( -0.361 0.000 -5.049) 5.062 12.749 ( 3.058 0.000 -5.582) 6.365 12.838 ( 8.807 0.000 0.839) 8.847 12.893 ( 1.258 0.000 5.057) 5.211 13.321 ( -0.213 0.000 6.995) 6.999 13.479 ( -11.175 0.000 1.935) 11.341 13.622 ( -1.789 0.000 2.377) 2.975 14.180 ( 2.214 0.000 -5.132) 5.589 14.320 ( -3.518 0.000 8.313) 9.027 14.433 ( -3.043 0.000 1.620) 3.448 14.922 ( -2.086 0.000 -2.573) 3.312 15.564 ( 2.742 0.000 -8.371) 8.808 16.061 ( -0.204 0.000 -8.949) 8.952 16.475 ( 2.512 0.000 -20.048) 20.205 ======================= Grid point 89 (44/111) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 15.983 0.000 -1.289) 16.035 1.943 ( -20.285 0.000 4.551) 20.790 2.168 ( -7.193 0.000 11.535) 13.594 2.236 ( -16.371 0.000 5.628) 17.311 2.426 ( 7.157 0.000 -2.857) 7.706 2.770 ( -6.805 0.000 -7.410) 10.061 2.797 ( 2.121 0.000 -1.920) 2.861 2.834 ( -5.914 0.000 -2.857) 6.568 3.120 ( 9.422 0.000 -11.360) 14.759 3.220 ( 0.477 0.000 -6.809) 6.825 3.324 ( 9.629 0.000 0.465) 9.640 3.481 ( -10.409 0.000 -13.840) 17.317 3.500 ( -6.900 0.000 1.135) 6.992 3.669 ( 0.756 0.000 -5.169) 5.224 3.706 ( 5.539 0.000 -2.205) 5.962 3.836 ( -9.881 0.000 -1.013) 9.933 3.858 ( -9.699 0.000 -7.388) 12.193 3.996 ( -8.094 0.000 3.743) 8.917 4.027 ( 1.863 0.000 4.664) 5.022 4.141 ( 0.886 0.000 -5.194) 5.269 4.240 ( 10.913 0.000 -7.793) 13.410 4.355 ( 5.278 0.000 -0.938) 5.361 4.474 ( -1.375 0.000 -3.696) 3.944 4.483 ( -1.588 0.000 -2.929) 3.332 4.646 ( 1.154 0.000 -0.526) 1.269 4.832 ( 1.793 0.000 -1.097) 2.102 4.864 ( -7.841 0.000 0.031) 7.841 4.933 ( -3.855 0.000 0.136) 3.857 5.000 ( -3.593 0.000 8.328) 9.071 5.011 ( 1.029 0.000 0.442) 1.120 5.048 ( 4.625 0.000 3.225) 5.639 5.290 ( -3.691 0.000 2.216) 4.305 5.365 ( -1.986 0.000 1.742) 2.642 5.425 ( -8.448 0.000 0.479) 8.462 5.595 ( 1.006 0.000 0.096) 1.011 5.603 ( 2.465 0.000 0.485) 2.512 5.771 ( 2.574 0.000 -1.541) 3.000 5.849 ( 1.938 0.000 4.856) 5.229 5.980 ( -2.627 0.000 14.369) 14.607 6.023 ( -4.318 0.000 3.011) 5.264 6.081 ( 4.898 0.000 -1.547) 5.136 6.499 ( -0.148 0.000 0.159) 0.217 6.577 ( -5.623 0.000 -8.647) 10.314 6.677 ( 1.551 0.000 9.192) 9.322 6.752 ( -1.013 0.000 -3.361) 3.511 6.797 ( 2.886 0.000 3.287) 4.374 7.017 ( 8.187 0.000 -9.266) 12.365 7.265 ( -1.730 0.000 -1.466) 2.268 7.579 ( 7.129 0.000 -6.545) 9.678 7.755 ( 0.831 0.000 -10.771) 10.803 7.947 ( -0.740 0.000 0.555) 0.925 7.961 ( 5.432 0.000 3.228) 6.319 7.989 ( 3.044 0.000 1.898) 3.587 8.020 ( 5.322 0.000 -8.113) 9.703 8.236 ( 2.602 0.000 4.336) 5.057 8.411 ( 5.468 0.000 1.733) 5.736 8.478 ( -1.197 0.000 -6.423) 6.534 8.669 ( 3.283 0.000 -0.451) 3.313 8.696 ( 5.364 0.000 -3.997) 6.689 9.021 ( -3.720 0.000 10.601) 11.235 9.044 ( 3.969 0.000 -3.753) 5.463 9.056 ( -5.538 0.000 11.874) 13.102 9.261 ( 2.456 0.000 0.951) 2.634 9.298 ( 4.979 0.000 5.969) 7.773 9.539 ( -8.755 0.000 8.106) 11.931 9.582 ( -0.864 0.000 2.080) 2.252 9.782 ( -0.628 0.000 1.429) 1.561 9.805 ( 1.285 0.000 -0.863) 1.548 10.087 ( -0.957 0.000 0.888) 1.305 10.220 ( 0.222 0.000 -7.669) 7.672 10.308 ( -0.840 0.000 2.755) 2.880 10.416 ( -2.181 0.000 2.652) 3.433 10.702 ( -1.387 0.000 -1.958) 2.399 10.844 ( -3.598 0.000 -3.458) 4.990 10.927 ( -3.420 0.000 7.107) 7.887 11.116 ( -0.303 0.000 -5.385) 5.394 11.493 ( -8.643 0.000 -4.332) 9.668 11.559 ( -11.241 0.000 -8.537) 14.115 12.000 ( -5.900 0.000 -2.233) 6.308 12.076 ( 4.329 0.000 6.774) 8.039 12.301 ( 5.105 0.000 12.255) 13.276 12.319 ( 1.615 0.000 9.377) 9.515 12.377 ( -0.785 0.000 -0.859) 1.164 12.760 ( 2.388 0.000 -4.974) 5.517 12.911 ( -3.364 0.000 3.636) 4.954 13.016 ( 7.725 0.000 0.793) 7.765 13.310 ( -8.128 0.000 7.260) 10.898 13.402 ( 0.754 0.000 9.028) 9.060 13.620 ( -0.371 0.000 1.765) 1.804 14.178 ( 2.228 0.000 -5.541) 5.973 14.333 ( -2.423 0.000 7.174) 7.572 14.396 ( -1.604 0.000 0.654) 1.733 14.883 ( 0.549 0.000 -2.761) 2.815 15.484 ( -2.177 0.000 -11.373) 11.580 16.051 ( 6.524 0.000 -7.197) 9.714 16.326 ( 1.139 0.000 -23.438) 23.466 ======================= Grid point 90 (45/111) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -22.897 0.000 7.218) 24.007 1.777 ( -26.660 0.000 -3.207) 26.852 2.162 ( 8.560 0.000 3.792) 9.362 2.253 ( 5.869 0.000 6.852) 9.022 2.382 ( -3.323 0.000 -14.096) 14.482 2.461 ( -15.705 0.000 -1.226) 15.753 2.631 ( -12.397 0.000 4.509) 13.192 2.804 ( -8.910 0.000 -8.179) 12.095 3.091 ( -2.422 0.000 -4.201) 4.849 3.187 ( -20.378 0.000 -0.158) 20.378 3.195 ( -2.661 0.000 -5.454) 6.068 3.324 ( 11.601 0.000 -5.144) 12.690 3.436 ( -0.379 0.000 2.121) 2.155 3.547 ( -2.693 0.000 -7.108) 7.601 3.737 ( 0.592 0.000 -1.316) 1.443 3.764 ( 4.764 0.000 -3.602) 5.972 3.853 ( -3.719 0.000 0.642) 3.774 3.908 ( 12.384 0.000 -1.515) 12.476 4.135 ( 4.953 0.000 3.324) 5.965 4.136 ( -7.422 0.000 -5.312) 9.127 4.371 ( 4.975 0.000 -6.771) 8.402 4.398 ( 5.914 0.000 0.487) 5.934 4.423 ( 1.788 0.000 -1.969) 2.660 4.602 ( 10.684 0.000 -1.369) 10.771 4.679 ( 4.518 0.000 -0.665) 4.567 4.740 ( -9.627 0.000 3.996) 10.424 4.745 ( -3.893 0.000 2.066) 4.407 4.842 ( -3.003 0.000 -4.656) 5.541 4.980 ( -3.599 0.000 4.499) 5.761 5.162 ( 8.681 0.000 -2.425) 9.013 5.169 ( 2.041 0.000 4.453) 4.898 5.237 ( -10.049 0.000 0.960) 10.095 5.264 ( 2.043 0.000 0.980) 2.266 5.316 ( -2.411 0.000 -1.012) 2.615 5.603 ( 0.578 0.000 -0.256) 0.632 5.688 ( 3.732 0.000 1.530) 4.034 5.857 ( 6.863 0.000 -2.486) 7.299 5.939 ( 1.658 0.000 6.584) 6.789 5.977 ( -3.213 0.000 2.023) 3.796 6.025 ( -5.120 0.000 12.472) 13.482 6.140 ( 3.080 0.000 -0.341) 3.099 6.470 ( -0.573 0.000 -2.057) 2.135 6.493 ( 2.517 0.000 -5.354) 5.916 6.727 ( 0.231 0.000 -2.204) 2.216 6.742 ( -1.274 0.000 6.688) 6.809 6.896 ( 2.997 0.000 5.362) 6.142 7.127 ( 11.145 0.000 -9.843) 14.869 7.200 ( -2.946 0.000 -1.661) 3.382 7.676 ( 1.201 0.000 -11.825) 11.886 7.682 ( 8.282 0.000 -6.176) 10.331 7.934 ( -0.348 0.000 -0.776) 0.851 7.994 ( 1.077 0.000 -3.206) 3.382 8.059 ( 2.781 0.000 2.599) 3.807 8.086 ( 4.126 0.000 -5.903) 7.202 8.277 ( 0.088 0.000 0.743) 0.748 8.401 ( -1.478 0.000 -3.832) 4.107 8.516 ( 3.781 0.000 -0.265) 3.790 8.707 ( 1.805 0.000 -2.467) 3.056 8.773 ( 2.736 0.000 -2.012) 3.396 9.002 ( -5.041 0.000 7.912) 9.382 9.082 ( 0.091 0.000 9.907) 9.908 9.113 ( 1.250 0.000 1.679) 2.093 9.322 ( 1.508 0.000 8.006) 8.147 9.387 ( -4.962 0.000 7.397) 8.907 9.543 ( 6.345 0.000 8.081) 10.274 9.645 ( 2.183 0.000 5.815) 6.211 9.801 ( 1.046 0.000 1.478) 1.811 9.825 ( 1.140 0.000 -0.720) 1.348 10.082 ( -0.880 0.000 1.807) 2.010 10.128 ( -2.115 0.000 -10.770) 10.976 10.282 ( -2.118 0.000 -3.048) 3.712 10.395 ( -2.263 0.000 2.183) 3.145 10.596 ( -5.598 0.000 -6.349) 8.465 10.704 ( -6.479 0.000 -5.144) 8.273 10.915 ( -3.929 0.000 4.734) 6.153 11.054 ( -2.789 0.000 0.400) 2.817 11.295 ( -8.635 0.000 -4.736) 9.849 11.330 ( -6.128 0.000 0.816) 6.182 11.875 ( -4.049 0.000 -2.865) 4.960 12.101 ( -2.683 0.000 -3.756) 4.616 12.387 ( -2.645 0.000 7.356) 7.817 12.438 ( 4.956 0.000 10.516) 11.626 12.531 ( 6.456 0.000 11.073) 12.817 12.757 ( 2.155 0.000 -5.436) 5.848 12.844 ( -4.701 0.000 0.942) 4.794 13.094 ( -0.970 0.000 3.147) 3.293 13.370 ( 5.787 0.000 11.973) 13.298 13.482 ( -0.791 0.000 9.105) 9.139 13.645 ( 1.009 0.000 3.727) 3.861 14.172 ( 2.161 0.000 -5.825) 6.213 14.335 ( -3.266 0.000 5.532) 6.424 14.386 ( 0.014 0.000 0.723) 0.723 14.895 ( 2.009 0.000 -0.619) 2.103 15.297 ( -6.141 0.000 -12.178) 13.639 16.102 ( -2.178 0.000 -28.343) 28.426 16.180 ( 12.473 0.000 -7.467) 14.537 ======================= Grid point 91 (46/111) ======================= q-point: (-0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -21.266 0.000 14.451) 25.711 1.226 ( -26.175 0.000 4.689) 26.592 1.968 ( -29.960 0.000 19.639) 35.823 2.159 ( -6.304 0.000 -7.297) 9.643 2.349 ( 10.486 0.000 0.627) 10.505 2.397 ( -22.124 0.000 6.837) 23.156 2.486 ( -2.886 0.000 -7.547) 8.080 2.652 ( 17.286 0.000 0.443) 17.292 2.765 ( -20.287 0.000 0.687) 20.298 3.127 ( -1.141 0.000 -1.223) 1.673 3.196 ( 7.588 0.000 1.151) 7.675 3.414 ( -1.053 0.000 -3.578) 3.729 3.429 ( -0.857 0.000 1.708) 1.911 3.572 ( 8.607 0.000 -4.474) 9.701 3.747 ( 4.272 0.000 -2.477) 4.938 3.832 ( 3.753 0.000 -5.443) 6.611 3.868 ( -1.378 0.000 -2.514) 2.867 3.889 ( -6.437 0.000 -5.005) 8.154 4.011 ( 0.273 0.000 -3.369) 3.380 4.272 ( 5.503 0.000 1.433) 5.687 4.365 ( 2.646 0.000 -6.132) 6.678 4.466 ( -0.654 0.000 4.156) 4.207 4.494 ( -5.897 0.000 3.416) 6.815 4.582 ( 1.966 0.000 3.421) 3.946 4.720 ( 0.516 0.000 -0.870) 1.012 4.800 ( 5.173 0.000 2.607) 5.793 4.804 ( 5.117 0.000 -1.488) 5.329 4.828 ( 7.927 0.000 -3.875) 8.823 4.940 ( -2.824 0.000 3.396) 4.417 5.090 ( -6.468 0.000 5.514) 8.500 5.154 ( -1.797 0.000 -2.397) 2.996 5.221 ( 4.061 0.000 -3.129) 5.127 5.337 ( 2.815 0.000 1.945) 3.422 5.421 ( 10.263 0.000 -2.371) 10.533 5.619 ( 0.816 0.000 0.265) 0.858 5.742 ( 0.301 0.000 2.010) 2.032 5.886 ( -2.651 0.000 -2.992) 3.997 5.982 ( -3.566 0.000 5.760) 6.774 5.986 ( 4.441 0.000 -1.888) 4.825 6.021 ( -3.127 0.000 8.027) 8.614 6.218 ( 5.144 0.000 -0.286) 5.152 6.464 ( -1.714 0.000 0.265) 1.735 6.517 ( 3.774 0.000 -3.578) 5.201 6.696 ( -1.530 0.000 -2.642) 3.053 6.759 ( -2.388 0.000 6.172) 6.618 6.980 ( -0.182 0.000 3.704) 3.708 7.151 ( -0.617 0.000 0.923) 1.110 7.290 ( 13.107 0.000 -6.731) 14.734 7.623 ( 4.901 0.000 -12.199) 13.147 7.758 ( 4.698 0.000 -5.972) 7.599 7.920 ( -0.264 0.000 -0.350) 0.438 7.984 ( 1.028 0.000 -3.272) 3.429 8.055 ( -0.750 0.000 -7.222) 7.261 8.138 ( 3.715 0.000 -1.780) 4.119 8.290 ( 1.133 0.000 0.997) 1.509 8.377 ( 1.027 0.000 -0.111) 1.033 8.551 ( 1.305 0.000 -2.900) 3.180 8.697 ( 0.014 0.000 -4.764) 4.764 8.745 ( -2.986 0.000 -0.609) 3.048 8.899 ( -11.753 0.000 5.873) 13.138 9.125 ( -0.016 0.000 -1.911) 1.911 9.202 ( 3.053 0.000 4.479) 5.421 9.359 ( -2.839 0.000 5.416) 6.115 9.425 ( -0.455 0.000 4.832) 4.854 9.718 ( -0.332 0.000 3.938) 3.952 9.798 ( 7.961 0.000 8.884) 11.929 9.834 ( 1.352 0.000 3.574) 3.822 9.835 ( 1.151 0.000 1.260) 1.707 9.961 ( -3.039 0.000 -9.964) 10.418 10.070 ( -1.905 0.000 -2.452) 3.105 10.200 ( 0.085 0.000 -2.048) 2.050 10.355 ( -3.053 0.000 -0.022) 3.053 10.458 ( -3.196 0.000 -1.954) 3.746 10.547 ( -5.517 0.000 -0.808) 5.576 10.846 ( -4.634 0.000 0.551) 4.666 11.011 ( -4.138 0.000 3.348) 5.323 11.180 ( -3.621 0.000 4.366) 5.673 11.272 ( -3.006 0.000 6.508) 7.169 11.798 ( -1.758 0.000 -2.131) 2.762 12.009 ( -3.227 0.000 -0.947) 3.363 12.344 ( -6.437 0.000 5.073) 8.196 12.638 ( 5.734 0.000 6.870) 8.948 12.741 ( 7.729 0.000 3.551) 8.506 12.755 ( 0.490 0.000 -3.689) 3.721 12.774 ( -0.122 0.000 -3.361) 3.364 13.078 ( -2.628 0.000 0.955) 2.796 13.518 ( -2.936 0.000 7.759) 8.296 13.644 ( 6.973 0.000 5.072) 8.622 13.834 ( 15.212 0.000 27.113) 31.089 14.166 ( 2.417 0.000 -5.766) 6.252 14.292 ( -4.635 0.000 1.895) 5.007 14.409 ( 0.940 0.000 2.238) 2.428 14.943 ( 2.140 0.000 2.080) 2.984 15.071 ( -6.491 0.000 -9.356) 11.387 15.728 ( -11.420 0.000 -28.700) 30.889 16.368 ( 13.544 0.000 -10.106) 16.899 ======================= Grid point 92 (47/111) ======================= q-point: (-0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -15.047 0.000 22.637) 27.181 1.039 ( -8.173 0.000 28.872) 30.007 1.685 ( -19.398 0.000 37.655) 42.358 2.079 ( -16.349 0.000 10.868) 19.631 2.157 ( 6.241 0.000 7.214) 9.539 2.376 ( -9.552 0.000 -10.556) 14.236 2.456 ( 4.126 0.000 -2.886) 5.035 2.608 ( 7.295 0.000 3.776) 8.214 2.936 ( 13.016 0.000 -4.430) 13.750 3.132 ( 2.436 0.000 0.090) 2.438 3.336 ( 3.790 0.000 2.382) 4.477 3.384 ( 0.540 0.000 -1.314) 1.421 3.444 ( 0.392 0.000 4.073) 4.092 3.594 ( -11.787 0.000 -0.773) 11.812 3.602 ( -4.640 0.000 3.605) 5.876 3.763 ( -4.386 0.000 -7.140) 8.379 3.889 ( 4.878 0.000 -6.102) 7.812 3.934 ( 11.522 0.000 -6.200) 13.085 3.995 ( 3.433 0.000 -6.469) 7.324 4.267 ( -13.662 0.000 10.683) 17.343 4.294 ( -3.493 0.000 -6.608) 7.474 4.422 ( 6.180 0.000 -4.710) 7.770 4.496 ( 0.776 0.000 2.329) 2.455 4.714 ( -3.106 0.000 -2.579) 4.037 4.805 ( 10.370 0.000 4.326) 11.236 4.809 ( 0.360 0.000 2.586) 2.611 4.915 ( 3.159 0.000 2.578) 4.078 4.947 ( 6.206 0.000 4.723) 7.799 4.988 ( 1.300 0.000 4.742) 4.917 5.115 ( -0.476 0.000 12.786) 12.795 5.176 ( 9.718 0.000 -4.648) 10.773 5.316 ( 9.947 0.000 -7.819) 12.652 5.395 ( 3.122 0.000 -2.866) 4.238 5.545 ( 2.983 0.000 -0.551) 3.034 5.639 ( 1.791 0.000 -3.554) 3.980 5.753 ( -0.750 0.000 3.324) 3.408 5.789 ( -2.512 0.000 -3.835) 4.585 5.934 ( -6.521 0.000 7.789) 10.158 6.023 ( -1.338 0.000 2.200) 2.575 6.029 ( 1.544 0.000 -1.306) 2.022 6.314 ( 4.543 0.000 -2.003) 4.965 6.348 ( -9.735 0.000 -0.016) 9.735 6.568 ( 2.646 0.000 -0.698) 2.737 6.637 ( -0.454 0.000 -3.438) 3.468 6.749 ( -4.625 0.000 6.086) 7.644 6.918 ( -6.865 0.000 0.941) 6.929 7.172 ( -0.283 0.000 1.068) 1.105 7.481 ( 9.328 0.000 -4.786) 10.484 7.682 ( 10.002 0.000 -9.505) 13.798 7.785 ( 2.495 0.000 -3.152) 4.020 7.944 ( -5.800 0.000 0.664) 5.838 7.945 ( 3.869 0.000 -0.108) 3.871 8.014 ( 5.439 0.000 -7.387) 9.173 8.141 ( 0.177 0.000 -6.200) 6.202 8.280 ( -4.988 0.000 -1.629) 5.247 8.439 ( 4.582 0.000 1.464) 4.810 8.530 ( 0.071 0.000 -2.639) 2.640 8.582 ( -7.434 0.000 -4.657) 8.772 8.692 ( -1.122 0.000 -1.903) 2.209 8.748 ( -3.844 0.000 -1.202) 4.027 9.057 ( -3.962 0.000 -4.616) 6.083 9.115 ( -15.454 0.000 -10.250) 18.544 9.296 ( -5.049 0.000 0.558) 5.080 9.353 ( -1.898 0.000 2.719) 3.316 9.745 ( 0.381 0.000 4.722) 4.737 9.756 ( -2.680 0.000 -4.290) 5.058 9.848 ( -0.523 0.000 -0.812) 0.966 9.904 ( -2.722 0.000 3.090) 4.118 10.045 ( 4.988 0.000 -0.273) 4.996 10.173 ( 11.309 0.000 15.660) 19.316 10.294 ( -2.192 0.000 -1.099) 2.452 10.313 ( 5.949 0.000 6.987) 9.177 10.431 ( 0.088 0.000 1.152) 1.156 10.499 ( 0.223 0.000 3.185) 3.193 10.780 ( -1.748 0.000 -0.447) 1.805 10.951 ( -3.779 0.000 2.185) 4.366 11.192 ( -1.171 0.000 8.378) 8.459 11.315 ( -1.040 0.000 11.926) 11.972 11.767 ( -0.171 0.000 -0.900) 0.916 11.983 ( -0.662 0.000 3.360) 3.425 12.255 ( -6.019 0.000 3.665) 7.047 12.701 ( -2.239 0.000 -3.130) 3.848 12.705 ( -0.885 0.000 -4.329) 4.418 12.778 ( 2.931 0.000 -5.762) 6.465 12.840 ( 1.996 0.000 -4.452) 4.879 12.986 ( -6.113 0.000 -4.061) 7.339 13.505 ( -4.462 0.000 6.326) 7.741 13.716 ( 0.356 0.000 -1.185) 1.237 14.158 ( -8.931 0.000 -5.485) 10.480 14.169 ( 2.780 0.000 -5.266) 5.955 14.454 ( 0.691 0.000 3.983) 4.042 14.567 ( 18.163 0.000 10.209) 20.835 14.955 ( 3.628 0.000 -0.656) 3.687 15.004 ( 1.133 0.000 4.122) 4.275 15.400 ( 7.735 0.000 7.844) 11.016 16.496 ( 9.392 0.000 -13.504) 16.449 ======================= Grid point 93 (48/111) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -1.381 9.818 20.837) 23.076 1.300 ( -5.452 12.005 23.215) 26.698 1.776 ( -4.467 -13.753 9.142) 17.108 1.886 ( -3.373 -11.476 5.205) 13.045 2.177 ( 8.152 7.938 34.552) 36.377 2.491 ( 11.611 3.376 -4.693) 12.970 2.721 ( 5.320 -4.053 0.873) 6.745 2.761 ( 11.284 4.540 16.166) 20.230 3.102 ( 7.003 1.073 -4.406) 8.343 3.239 ( 0.617 -6.063 1.051) 6.184 3.314 ( 5.882 4.131 -3.809) 8.135 3.340 ( -9.130 7.263 0.326) 11.671 3.475 ( 2.341 -0.452 -2.409) 3.389 3.561 ( 1.125 2.093 4.772) 5.330 3.581 ( 1.770 0.815 3.689) 4.172 3.637 ( -4.465 0.387 -4.946) 6.674 3.890 ( 1.347 -0.018 -2.670) 2.991 3.949 ( -5.051 -2.104 -0.375) 5.485 4.090 ( -5.035 2.162 -1.806) 5.770 4.171 ( 2.141 2.815 1.181) 3.729 4.252 ( 4.195 1.607 -5.256) 6.915 4.460 ( 4.276 -2.397 1.724) 5.196 4.488 ( -2.191 -1.796 0.405) 2.862 4.648 ( -1.909 0.575 -0.715) 2.118 4.751 ( -0.371 -3.627 -3.913) 5.348 4.827 ( 4.934 -9.353 5.527) 11.932 4.961 ( -0.858 -2.639 -2.528) 3.754 4.991 ( 1.714 -0.083 4.653) 4.959 5.089 ( 4.383 -2.188 0.110) 4.900 5.183 ( 2.556 -9.176 4.418) 10.500 5.317 ( 2.831 0.572 -0.146) 2.892 5.388 ( 1.186 -1.692 -4.424) 4.882 5.493 ( 4.584 6.001 -3.177) 8.193 5.541 ( -5.604 3.071 -5.004) 8.116 5.732 ( 3.579 2.907 4.291) 6.299 5.796 ( -0.660 -1.442 -2.097) 2.629 5.828 ( 2.352 3.133 3.416) 5.197 5.912 ( 4.070 5.373 2.092) 7.058 5.983 ( 0.045 -2.765 0.143) 2.769 6.147 ( 1.903 5.867 4.228) 7.478 6.160 ( -4.426 -2.740 5.270) 7.408 6.301 ( -1.980 -1.361 -0.295) 2.421 6.584 ( -7.134 -0.809 0.289) 7.185 6.605 ( -2.234 -0.995 2.479) 3.482 6.750 ( -5.732 5.474 0.540) 7.944 6.826 ( 3.365 1.146 -2.222) 4.192 7.121 ( -1.855 -1.026 0.147) 2.124 7.428 ( -0.356 -10.070 -4.707) 11.121 7.698 ( -0.362 0.368 -4.764) 4.792 7.803 ( -2.959 -1.479 -5.276) 6.228 7.868 ( 3.647 2.102 -4.426) 6.108 7.954 ( -9.898 -0.249 -2.537) 10.220 7.992 ( 2.590 -2.886 -4.733) 6.118 8.030 ( -1.291 -4.159 -4.843) 6.513 8.198 ( 0.025 5.499 0.529) 5.524 8.383 ( 1.717 -3.884 -3.617) 5.578 8.587 ( -2.143 2.863 -2.651) 4.451 8.665 ( -0.614 1.367 -2.464) 2.884 8.709 ( 1.636 4.493 -4.997) 6.916 8.712 ( 4.814 4.291 -4.131) 7.658 8.767 ( -4.304 0.879 -5.362) 6.931 9.006 ( -4.008 6.027 -0.372) 7.248 9.141 ( -0.607 -7.526 3.511) 8.327 9.274 ( -3.407 -4.651 -0.979) 5.848 9.652 ( -3.126 -0.187 -0.511) 3.173 9.775 ( -2.670 -0.850 2.339) 3.650 9.841 ( -2.023 -1.305 0.589) 2.479 9.850 ( -0.132 0.109 1.659) 1.668 10.166 ( 1.965 2.378 1.268) 3.335 10.285 ( -0.572 1.569 -0.333) 1.703 10.353 ( 3.148 -4.320 4.485) 6.977 10.417 ( 0.650 -2.413 2.208) 3.334 10.583 ( 2.713 7.881 7.995) 11.549 10.717 ( 7.588 2.263 3.242) 8.556 10.857 ( -0.705 6.807 1.967) 7.121 10.979 ( 1.708 5.612 7.393) 9.438 11.249 ( 2.984 -2.678 11.647) 12.318 11.370 ( 0.392 -5.368 14.029) 15.026 11.775 ( 1.594 -0.756 4.472) 4.808 11.998 ( 1.677 -3.044 5.639) 6.624 12.163 ( -2.672 0.829 -0.855) 2.925 12.411 ( -4.731 -6.688 -2.857) 8.676 12.663 ( -5.026 -1.355 -2.336) 5.706 12.710 ( -2.046 2.715 -7.106) 7.878 12.772 ( -5.578 -2.141 -5.172) 7.902 12.958 ( -5.318 9.171 -5.262) 11.835 13.099 ( -4.027 -22.298 4.862) 23.174 13.435 ( -1.194 -13.239 -4.269) 13.962 13.909 ( -5.016 10.337 6.359) 13.132 14.296 ( -1.448 -4.687 6.451) 8.104 14.590 ( -1.024 3.964 7.765) 8.778 14.649 ( -1.782 5.470 0.540) 5.778 15.142 ( 2.181 5.914 0.606) 6.332 15.178 ( 5.442 5.423 0.127) 7.683 16.194 ( 27.059 5.236 -12.229) 30.152 16.449 ( 3.972 -3.904 -16.044) 16.983 ======================= Grid point 94 (49/111) ======================= q-point: ( 0.12 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 6.616 5.963 16.960) 19.156 1.468 ( 4.452 8.276 22.832) 24.690 1.744 ( -3.070 -7.719 -5.873) 10.174 1.905 ( 2.015 -7.820 13.341) 15.595 2.552 ( 11.997 -1.292 -0.667) 12.085 2.771 ( 9.353 -7.632 2.455) 12.319 2.875 ( 5.865 5.758 7.519) 11.140 3.022 ( -2.217 3.266 0.465) 3.975 3.183 ( -2.062 1.842 -3.879) 4.763 3.207 ( 6.044 5.072 11.137) 13.649 3.342 ( 8.587 -2.115 6.980) 11.266 3.381 ( 2.582 1.838 -2.957) 4.335 3.482 ( 0.809 0.109 -2.230) 2.375 3.552 ( 1.056 0.466 1.132) 1.616 3.638 ( 0.699 3.368 5.926) 6.852 3.682 ( 5.827 1.623 -0.058) 6.049 3.840 ( -6.457 5.482 9.573) 12.782 3.883 ( -0.410 2.505 0.101) 2.540 4.033 ( 4.006 -0.839 -9.187) 10.058 4.212 ( 0.996 1.506 -4.425) 4.779 4.250 ( -1.310 0.598 1.730) 2.251 4.432 ( -1.785 -1.059 -1.327) 2.463 4.522 ( 1.532 1.720 -0.418) 2.341 4.639 ( 1.698 -0.135 -2.775) 3.256 4.702 ( -0.662 -9.552 -4.150) 10.436 4.895 ( -2.124 -0.010 -3.669) 4.239 4.946 ( -0.139 -9.494 5.575) 11.010 5.055 ( 2.884 -4.491 -1.452) 5.531 5.174 ( 2.878 -3.174 2.710) 5.070 5.191 ( -6.543 -1.293 1.538) 6.844 5.259 ( -6.899 -0.646 10.782) 12.817 5.356 ( -2.435 -2.670 -4.170) 5.518 5.451 ( 3.199 1.059 -6.606) 7.416 5.549 ( 4.394 -0.160 -6.452) 7.807 5.719 ( -5.488 5.538 4.563) 9.033 5.789 ( -2.256 3.899 2.960) 5.390 5.901 ( -4.969 2.723 0.382) 5.679 5.906 ( -3.968 1.121 0.394) 4.142 5.971 ( 2.532 2.257 1.978) 3.927 6.123 ( -2.153 -2.770 -0.286) 3.519 6.223 ( -1.852 3.041 0.007) 3.560 6.351 ( 0.554 -1.142 4.157) 4.346 6.473 ( -2.549 -0.333 2.194) 3.379 6.537 ( -1.892 -3.180 2.580) 4.511 6.719 ( 3.410 6.827 3.703) 8.482 6.960 ( 6.693 -0.322 3.188) 7.420 7.076 ( -2.914 -1.013 0.467) 3.120 7.323 ( -4.867 -7.888 -6.510) 11.327 7.586 ( -3.472 -1.862 -6.207) 7.352 7.603 ( -8.198 -2.081 -8.364) 11.895 7.814 ( -2.277 2.553 -0.025) 3.421 7.900 ( 2.150 0.623 -6.013) 6.416 7.962 ( -1.471 -4.164 -5.748) 7.248 7.985 ( 2.670 -1.716 -4.863) 5.807 8.187 ( -1.608 4.044 -0.162) 4.355 8.377 ( 0.084 -3.662 -7.554) 8.396 8.580 ( 1.534 1.371 -0.923) 2.255 8.640 ( -0.988 2.002 -6.654) 7.018 8.657 ( 5.727 -2.354 -0.910) 6.258 8.714 ( 1.872 0.250 -6.777) 7.036 8.868 ( 7.818 7.774 1.692) 11.154 8.975 ( -0.393 6.940 2.665) 7.445 9.170 ( -2.234 -0.956 4.421) 5.045 9.223 ( 0.945 -5.155 -0.703) 5.288 9.587 ( -3.995 -1.695 1.381) 4.555 9.739 ( -2.066 -1.111 1.214) 2.641 9.810 ( -2.690 -1.542 2.035) 3.708 9.869 ( -0.673 -0.768 2.765) 2.948 10.190 ( 0.032 2.843 0.462) 2.881 10.270 ( 0.373 1.743 -1.521) 2.343 10.379 ( -3.376 -2.059 2.804) 4.848 10.441 ( 0.354 -4.705 1.993) 5.122 10.684 ( 0.334 6.881 8.380) 10.848 10.838 ( 1.170 2.397 3.601) 4.481 10.905 ( 4.901 2.185 0.797) 5.425 11.065 ( 2.320 2.566 1.902) 3.948 11.459 ( 5.767 0.431 14.667) 15.766 11.552 ( 5.512 -5.208 13.242) 15.260 11.889 ( 4.044 1.806 6.315) 7.713 12.007 ( -2.775 6.824 2.414) 7.753 12.119 ( -2.163 -0.291 -0.480) 2.235 12.343 ( -0.990 -3.127 -1.112) 3.463 12.510 ( -6.948 -2.654 0.619) 7.463 12.604 ( -3.540 1.138 -7.566) 8.431 12.683 ( 2.442 -1.308 -2.608) 3.804 12.878 ( -0.197 2.456 -0.942) 2.638 13.071 ( -2.411 -17.363 -0.118) 17.530 13.393 ( 0.107 -15.373 -4.290) 15.961 13.859 ( -5.422 11.800 6.557) 14.547 14.295 ( -4.771 -6.543 7.793) 11.239 14.552 ( -6.452 9.109 3.549) 11.713 14.639 ( -0.301 8.738 1.141) 8.817 15.116 ( -2.134 8.844 -0.098) 9.099 15.389 ( 11.200 2.188 -0.764) 11.437 16.331 ( -1.916 -2.353 -14.662) 14.973 16.445 ( 12.287 -6.547 -16.028) 21.230 ======================= Grid point 95 (50/111) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 5.320 -0.408 0.876) 5.407 1.674 ( 6.065 -0.508 7.614) 9.747 1.828 ( 11.274 5.474 20.513) 24.038 2.124 ( 7.451 -5.635 12.195) 15.363 2.658 ( -7.313 1.512 -1.347) 7.588 2.792 ( 5.464 2.517 -6.383) 8.770 2.869 ( 3.676 -6.325 -6.311) 9.662 2.950 ( -7.064 -4.460 -5.709) 10.119 3.163 ( 2.407 0.570 -3.121) 3.983 3.302 ( -0.515 -0.173 -8.348) 8.366 3.376 ( -4.352 -2.849 -1.597) 5.441 3.477 ( 1.492 2.267 1.724) 3.215 3.556 ( 6.390 1.034 3.143) 7.196 3.654 ( -2.213 0.112 3.258) 3.940 3.685 ( 0.533 8.271 -0.542) 8.306 3.800 ( 8.735 7.069 8.944) 14.362 3.903 ( 2.880 4.394 6.855) 8.636 4.017 ( 7.046 4.385 10.504) 13.387 4.072 ( 8.702 -1.740 -6.879) 11.228 4.161 ( 0.600 1.629 -3.973) 4.336 4.259 ( 0.052 3.136 -2.441) 3.974 4.406 ( 0.338 -3.018 -0.200) 3.044 4.552 ( 2.242 1.272 -0.308) 2.596 4.630 ( -2.875 -7.449 -5.662) 9.788 4.642 ( 2.476 0.886 -3.625) 4.479 4.788 ( -4.717 -2.355 -5.298) 7.474 4.933 ( -5.369 0.444 4.096) 6.768 5.020 ( -4.986 -4.059 1.217) 6.544 5.075 ( -7.112 -2.205 5.485) 9.248 5.203 ( -4.216 -7.263 2.832) 8.863 5.270 ( 2.108 0.531 1.902) 2.888 5.350 ( 4.647 -3.279 -0.216) 5.692 5.422 ( -6.885 -0.522 -4.656) 8.328 5.482 ( -5.808 -5.340 -0.144) 7.891 5.637 ( -5.052 5.822 -2.344) 8.057 5.723 ( -8.612 0.789 2.174) 8.917 5.759 ( -5.671 2.133 3.763) 7.132 5.858 ( 0.035 7.066 4.072) 8.156 5.955 ( -3.525 -1.820 -6.147) 7.316 6.055 ( -2.936 1.748 1.809) 3.867 6.237 ( -2.622 1.064 1.454) 3.181 6.285 ( 0.837 -4.068 2.639) 4.921 6.513 ( 1.989 6.109 5.929) 8.742 6.627 ( 3.051 -1.388 3.032) 4.520 6.844 ( 0.594 0.708 6.464) 6.530 6.974 ( -5.118 -0.492 -3.054) 5.981 7.071 ( 0.110 -6.001 -2.267) 6.416 7.178 ( -1.822 -3.352 -5.801) 6.943 7.471 ( 2.795 1.337 -2.911) 4.252 7.589 ( 6.317 -1.258 -1.652) 6.649 7.777 ( -0.066 -0.335 -2.040) 2.069 7.878 ( -0.929 -5.403 -7.360) 9.177 7.900 ( 3.113 1.411 -5.019) 6.072 8.000 ( 2.982 -0.182 -4.883) 5.724 8.163 ( -0.336 1.665 -0.253) 1.718 8.297 ( -0.824 -2.855 -6.028) 6.720 8.587 ( 0.758 2.588 -3.605) 4.502 8.613 ( 2.542 2.838 -2.630) 4.630 8.694 ( 1.551 -0.203 -5.485) 5.704 8.787 ( 5.627 -4.444 1.518) 7.329 9.002 ( 3.605 2.110 0.294) 4.187 9.039 ( 3.133 8.975 7.282) 11.975 9.136 ( -1.506 -1.606 -0.010) 2.202 9.269 ( 0.166 3.502 4.083) 5.382 9.530 ( -3.547 -4.751 3.051) 6.667 9.715 ( -1.002 -0.656 -0.449) 1.279 9.772 ( -2.945 -3.709 2.262) 5.248 9.854 ( -3.018 -1.030 2.158) 3.851 10.184 ( -0.534 2.721 -0.628) 2.844 10.270 ( 0.717 0.546 -2.106) 2.291 10.323 ( -3.492 0.236 2.265) 4.169 10.445 ( -1.312 -3.642 1.326) 4.092 10.742 ( -1.172 6.232 7.343) 9.702 10.880 ( 0.669 2.620 2.202) 3.487 10.976 ( 1.214 0.466 0.454) 1.377 11.114 ( 2.496 -0.027 -0.665) 2.583 11.687 ( 3.802 -0.470 12.883) 13.441 11.753 ( 4.576 -2.928 8.366) 9.975 11.934 ( -1.397 3.779 3.001) 5.024 12.029 ( 0.586 6.387 1.570) 6.603 12.093 ( -1.907 -1.308 2.640) 3.509 12.256 ( -3.052 5.918 -0.712) 6.696 12.489 ( 1.615 -7.253 -3.650) 8.278 12.534 ( 1.583 2.263 -0.463) 2.800 12.760 ( 4.617 -3.311 2.074) 6.049 12.900 ( 3.030 6.691 -2.196) 7.667 13.011 ( -3.497 -21.350 1.884) 21.716 13.353 ( -0.954 -15.454 -3.238) 15.818 13.817 ( -4.525 11.503 6.433) 13.935 14.243 ( -8.297 -6.893 9.767) 14.552 14.456 ( -3.903 10.963 -1.204) 11.699 14.630 ( -1.256 7.508 0.369) 7.621 15.062 ( -2.221 10.691 -1.637) 11.041 15.562 ( 9.167 1.258 -5.169) 10.599 16.149 ( -4.535 -1.854 -12.023) 12.983 16.457 ( 4.466 -9.263 -16.665) 19.583 ======================= Grid point 96 (51/111) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 7.665 5.195 -1.882) 9.449 1.952 ( 5.248 -5.815 11.090) 13.577 2.164 ( 2.889 2.869 17.334) 17.806 2.309 ( 1.678 -2.447 5.762) 6.481 2.481 ( -6.951 5.662 3.185) 9.515 2.707 ( -3.023 -3.801 -4.574) 6.671 2.896 ( 0.150 -0.720 -4.626) 4.685 2.948 ( 7.814 -3.981 -5.199) 10.195 3.075 ( -2.661 3.651 -7.715) 8.940 3.252 ( 0.423 0.363 -6.535) 6.559 3.299 ( 1.518 1.530 -8.648) 8.912 3.444 ( -1.575 -7.602 -4.536) 8.991 3.510 ( -4.668 -3.088 -2.615) 6.178 3.617 ( 3.188 -0.909 -4.613) 5.681 3.828 ( 3.648 1.341 0.269) 3.896 3.880 ( -0.313 1.386 1.588) 2.131 4.053 ( -1.614 4.491 -6.809) 8.315 4.060 ( 1.358 7.902 4.225) 9.063 4.145 ( 4.906 -0.076 -8.348) 9.683 4.174 ( -3.499 4.817 1.229) 6.079 4.274 ( 3.470 3.385 -3.011) 5.707 4.467 ( 4.277 -1.331 -1.138) 4.622 4.524 ( -5.120 0.028 -0.654) 5.161 4.554 ( -4.464 0.860 -0.638) 4.591 4.622 ( -4.770 2.080 -2.526) 5.785 4.727 ( 6.990 -0.276 -0.496) 7.013 4.858 ( -4.065 -4.983 -1.771) 6.670 4.925 ( -4.059 1.466 9.999) 10.890 5.046 ( -1.213 -1.199 3.982) 4.332 5.124 ( -13.256 -0.076 1.084) 13.300 5.153 ( -1.613 -5.511 -2.170) 6.138 5.281 ( -5.478 2.015 0.403) 5.851 5.337 ( -10.008 -7.311 4.584) 13.215 5.433 ( 1.348 -4.906 -0.242) 5.093 5.573 ( 3.362 3.260 1.272) 4.853 5.630 ( -4.353 -0.547 1.735) 4.718 5.731 ( -0.382 0.333 1.490) 1.574 5.851 ( -1.414 0.967 -3.140) 3.577 5.956 ( 3.980 0.157 0.767) 4.056 5.988 ( -4.294 1.684 6.409) 7.896 6.181 ( -3.858 5.356 1.934) 6.878 6.389 ( 2.266 -4.562 7.254) 8.864 6.611 ( 1.999 5.810 6.925) 9.258 6.696 ( 1.841 -0.555 1.684) 2.556 6.796 ( -6.555 -1.175 -6.506) 9.310 6.804 ( -2.659 -3.962 -4.504) 6.562 7.006 ( 0.278 1.114 -7.178) 7.269 7.199 ( 2.879 -5.773 -0.105) 6.452 7.525 ( 1.917 1.350 -2.690) 3.569 7.741 ( 6.374 -4.837 1.769) 8.194 7.802 ( 2.492 -0.591 -7.713) 8.127 7.836 ( 5.612 -3.239 -2.908) 7.102 7.946 ( 3.212 2.643 1.415) 4.394 8.029 ( 5.008 -0.317 -5.099) 7.154 8.176 ( 1.126 1.945 1.793) 2.875 8.277 ( 3.064 -1.502 -1.882) 3.897 8.591 ( 1.688 3.029 -2.366) 4.198 8.637 ( 2.264 2.845 -2.253) 4.277 8.680 ( 1.339 0.347 -4.394) 4.606 8.883 ( 2.472 -5.354 2.776) 6.518 9.055 ( 0.906 1.809 1.183) 2.344 9.097 ( -1.439 0.664 5.484) 5.708 9.184 ( 4.849 3.043 0.580) 5.754 9.286 ( -2.248 7.788 6.662) 10.492 9.491 ( -5.041 -7.043 5.425) 10.220 9.687 ( -0.883 -0.913 -1.367) 1.866 9.736 ( -2.903 -4.021 2.493) 5.551 9.808 ( -1.687 -0.735 -0.325) 1.869 10.157 ( -1.428 3.669 -0.403) 3.957 10.264 ( 0.694 -0.200 -1.913) 2.045 10.296 ( -0.755 1.123 -0.267) 1.379 10.425 ( -1.713 -1.965 1.491) 3.003 10.767 ( -2.365 4.415 6.608) 8.291 10.896 ( -0.715 1.337 1.292) 1.992 10.961 ( -1.868 1.408 -1.438) 2.746 11.151 ( 2.320 -0.245 -1.895) 3.006 11.694 ( -5.930 0.746 -2.909) 6.647 11.809 ( -8.031 -2.367 0.356) 8.380 11.959 ( 3.216 3.645 3.770) 6.152 12.080 ( 2.974 -0.634 7.799) 8.371 12.125 ( 1.124 5.126 5.009) 7.255 12.260 ( 0.063 4.803 5.393) 7.222 12.458 ( -0.070 0.664 -6.074) 6.110 12.597 ( 3.195 -5.759 -0.032) 6.586 12.852 ( 1.419 -3.873 4.241) 5.916 12.916 ( 0.811 -6.512 -2.515) 7.028 13.034 ( 2.183 -9.072 6.386) 11.306 13.322 ( 0.059 -11.136 -0.046) 11.136 13.791 ( -3.891 10.791 6.206) 13.043 14.154 ( -8.230 -4.507 8.427) 12.612 14.388 ( -1.590 6.895 -2.485) 7.500 14.601 ( -1.002 4.221 -1.486) 4.586 15.021 ( 0.191 14.711 -2.288) 14.889 15.660 ( 7.217 4.751 -9.203) 12.623 15.969 ( -3.851 -5.328 -9.404) 11.474 16.363 ( 1.686 -9.911 -18.403) 20.970 ======================= Grid point 97 (52/111) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -6.328 -0.357 3.768) 7.374 1.993 ( -1.315 -3.160 4.087) 5.331 2.174 ( -1.326 5.782 4.913) 7.702 2.301 ( -16.577 6.233 7.011) 19.048 2.487 ( 3.507 2.565 1.992) 4.779 2.641 ( -1.385 -7.822 -1.429) 8.072 2.817 ( -6.675 -0.039 1.241) 6.790 2.956 ( -0.610 7.144 -12.069) 14.038 3.101 ( 10.075 -1.205 -10.332) 14.482 3.208 ( 2.191 -1.197 -7.140) 7.564 3.265 ( 1.974 -3.931 -5.425) 6.984 3.357 ( -2.471 -3.274 -4.516) 6.101 3.503 ( 3.342 -3.929 -2.620) 5.785 3.603 ( -2.311 -8.553 -9.513) 13.000 3.726 ( -5.547 2.282 -3.328) 6.860 3.826 ( -11.104 -0.210 -6.077) 12.660 3.926 ( -4.447 5.411 -1.051) 7.083 3.962 ( 0.136 5.611 -3.831) 6.796 4.130 ( -5.458 -0.030 -6.150) 8.223 4.188 ( 3.895 -3.714 -4.202) 6.828 4.270 ( -0.765 3.210 -0.941) 3.431 4.346 ( 1.922 10.088 2.156) 10.493 4.475 ( -1.790 -3.225 3.242) 4.911 4.573 ( 1.006 3.912 0.981) 4.157 4.609 ( 1.303 2.247 -1.533) 3.016 4.756 ( -4.585 -6.994 -0.770) 8.398 4.835 ( 1.129 -0.534 0.139) 1.257 4.978 ( -3.610 -3.697 5.447) 7.508 5.009 ( 0.368 3.672 1.969) 4.183 5.065 ( -3.327 4.245 -1.523) 5.604 5.073 ( 2.517 0.912 1.781) 3.216 5.210 ( -0.240 -9.852 5.539) 11.304 5.287 ( -3.297 -0.218 4.079) 5.250 5.396 ( -5.225 -1.705 2.255) 5.941 5.585 ( 1.423 0.689 -0.353) 1.620 5.668 ( 3.543 3.867 -1.256) 5.393 5.741 ( 1.457 -2.515 -0.167) 2.911 5.855 ( 1.678 -1.196 1.937) 2.828 5.960 ( -2.978 -0.002 8.826) 9.315 6.062 ( 2.144 -2.064 2.127) 3.658 6.124 ( -2.480 7.446 0.395) 7.858 6.439 ( -1.388 -5.131 -0.470) 5.336 6.626 ( -1.459 3.373 -3.275) 4.923 6.675 ( -0.581 0.134 4.048) 4.091 6.759 ( 0.491 0.711 1.199) 1.477 6.796 ( 2.457 -0.338 3.572) 4.348 6.997 ( 5.928 -0.318 -8.668) 10.506 7.225 ( 0.896 -4.798 -2.001) 5.275 7.518 ( 2.272 -1.683 -6.455) 7.047 7.744 ( 3.227 -4.715 -10.725) 12.152 7.853 ( 2.460 -3.289 -2.011) 4.573 7.930 ( 4.900 -3.337 -1.291) 6.068 8.018 ( 2.996 2.419 0.745) 3.922 8.091 ( 3.401 2.637 -3.254) 5.396 8.234 ( 1.370 3.541 4.727) 6.063 8.400 ( 7.445 -0.166 3.475) 8.218 8.570 ( -1.200 4.673 -4.291) 6.457 8.679 ( 2.074 1.061 -0.404) 2.364 8.685 ( 3.540 -0.615 -2.287) 4.259 8.920 ( -1.365 -7.375 3.435) 8.250 9.080 ( -1.324 4.401 4.428) 6.382 9.135 ( 1.735 2.980 4.799) 5.909 9.253 ( 0.682 0.027 3.033) 3.109 9.340 ( 1.811 4.221 7.118) 8.471 9.435 ( -4.797 -5.427 7.635) 10.524 9.669 ( -0.262 2.235 0.346) 2.276 9.707 ( -1.865 -5.749 2.138) 6.411 9.801 ( 1.619 -0.637 -1.656) 2.402 10.134 ( -1.174 4.211 0.958) 4.475 10.242 ( 0.397 1.885 -6.663) 6.936 10.286 ( -0.577 -1.048 0.688) 1.380 10.409 ( -1.511 -1.123 1.958) 2.716 10.759 ( -3.802 1.953 4.379) 6.119 10.861 ( -3.643 -3.088 0.120) 4.777 10.900 ( -2.050 6.651 -3.780) 7.920 11.166 ( 0.241 1.233 -0.530) 1.363 11.504 ( -9.555 1.282 -4.160) 10.500 11.564 ( -11.306 0.220 -6.836) 13.214 12.012 ( -4.789 1.540 -0.822) 5.098 12.117 ( 3.378 3.995 0.748) 5.286 12.222 ( 0.725 -4.881 6.731) 8.346 12.360 ( 1.528 -0.787 3.462) 3.866 12.425 ( 0.815 5.228 8.480) 9.995 12.643 ( 2.114 -6.648 -1.236) 7.085 12.881 ( -2.051 -3.355 3.428) 5.217 12.908 ( -1.873 -14.128 3.957) 14.791 13.162 ( 6.100 0.980 3.809) 7.258 13.368 ( 2.577 -6.793 3.854) 8.224 13.768 ( -3.830 9.994 5.871) 12.208 14.083 ( -5.343 -4.855 6.040) 9.413 14.348 ( -0.487 4.465 -1.960) 4.900 14.573 ( 0.173 0.840 -2.868) 2.994 15.039 ( 3.018 19.152 -1.030) 19.416 15.630 ( -1.683 12.256 -13.460) 18.282 15.914 ( 6.724 -12.642 -6.330) 15.656 16.214 ( 0.602 -9.965 -21.747) 23.929 ======================= Grid point 98 (53/111) ======================= q-point: (-0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -19.609 2.130 7.355) 21.052 1.861 ( -24.021 6.438 -3.860) 25.167 2.011 ( -4.584 -11.592 6.809) 14.203 2.300 ( -13.132 -6.073 -5.433) 15.455 2.393 ( 11.250 10.348 3.217) 15.620 2.630 ( -6.776 11.292 -8.135) 15.479 2.665 ( -11.188 4.546 1.161) 12.132 2.835 ( 0.844 -0.854 -3.235) 3.451 2.952 ( -11.211 -5.870 -5.568) 13.826 3.169 ( -8.046 -3.165 -5.461) 10.226 3.251 ( -6.323 -0.431 -0.343) 6.347 3.379 ( 4.864 2.112 -3.813) 6.531 3.400 ( 5.867 1.858 -0.897) 6.219 3.505 ( 0.267 -8.619 -4.082) 9.541 3.613 ( -3.438 -1.712 -4.078) 5.602 3.771 ( 5.504 -2.950 -2.114) 6.593 3.878 ( -0.515 4.295 -1.946) 4.743 3.947 ( -2.904 -1.166 -6.291) 7.026 4.023 ( 6.606 4.034 -1.215) 7.835 4.240 ( 4.269 -5.479 -3.959) 7.995 4.355 ( 7.405 -1.277 -5.188) 9.131 4.380 ( -0.586 -1.212 3.092) 3.372 4.451 ( -3.775 6.897 2.280) 8.187 4.595 ( -2.896 -3.184 1.692) 4.624 4.634 ( 2.545 -1.432 -1.487) 3.277 4.722 ( 2.523 0.659 3.030) 3.998 4.765 ( -3.614 1.631 1.441) 4.219 4.943 ( -3.613 5.052 -2.276) 6.615 4.966 ( -3.191 -3.317 3.316) 5.673 5.066 ( 0.158 -4.364 1.909) 4.766 5.210 ( -0.128 -0.148 3.148) 3.154 5.220 ( 6.385 0.042 -1.810) 6.636 5.300 ( 0.370 3.152 1.917) 3.708 5.336 ( -1.030 2.415 2.121) 3.375 5.617 ( 2.399 1.284 -1.213) 2.979 5.726 ( 2.063 3.539 1.332) 4.308 5.809 ( 6.140 -4.270 -1.217) 7.577 5.899 ( -0.497 -3.641 2.988) 4.736 5.973 ( -3.048 -0.162 7.183) 7.804 6.057 ( -3.308 0.968 2.738) 4.402 6.142 ( 3.379 2.085 -0.030) 3.970 6.381 ( -0.109 -4.645 -4.382) 6.387 6.638 ( 2.229 7.930 0.377) 8.246 6.702 ( 0.120 -0.295 3.398) 3.413 6.775 ( -0.850 1.947 2.341) 3.162 6.889 ( 3.275 -0.533 4.745) 5.790 7.058 ( 5.983 -3.456 -6.663) 9.599 7.224 ( 1.860 -2.526 -3.196) 4.478 7.510 ( 3.260 -3.721 -8.309) 9.670 7.741 ( 6.280 -4.732 -11.190) 13.676 7.864 ( 1.602 -1.306 -2.981) 3.627 7.987 ( 3.503 -6.958 -4.373) 8.933 8.063 ( 1.262 2.305 -0.594) 2.694 8.104 ( 1.332 3.837 -3.231) 5.190 8.278 ( -0.965 4.183 4.455) 6.187 8.477 ( -2.784 1.106 -1.330) 3.277 8.556 ( 4.280 4.054 -0.635) 5.930 8.700 ( 0.575 0.094 -1.111) 1.255 8.755 ( 3.354 -1.437 -1.155) 3.827 8.927 ( -0.521 -7.589 4.888) 9.042 9.071 ( -4.396 5.729 6.990) 10.050 9.202 ( -1.537 3.472 5.747) 6.888 9.293 ( -0.263 -1.873 5.048) 5.391 9.426 ( 2.229 0.596 8.676) 8.978 9.538 ( 7.582 -0.105 8.081) 11.082 9.691 ( 0.537 3.653 2.870) 4.676 9.696 ( -0.633 -7.979 1.829) 8.210 9.826 ( 2.058 -1.068 -1.677) 2.862 10.121 ( -1.062 3.043 -0.307) 3.237 10.164 ( -1.661 3.728 -8.859) 9.754 10.266 ( -1.232 -0.629 -2.085) 2.502 10.395 ( -1.755 -0.639 1.949) 2.700 10.657 ( -6.695 1.199 -4.730) 8.285 10.743 ( -4.287 -0.153 -9.659) 10.569 10.843 ( -5.089 4.709 8.590) 11.039 11.163 ( -2.363 3.738 5.187) 6.817 11.259 ( -9.794 -1.160 -6.000) 11.544 11.348 ( -7.340 0.455 0.140) 7.356 11.887 ( -5.123 1.097 -2.183) 5.675 12.075 ( -4.694 -3.217 -4.886) 7.500 12.294 ( 1.155 -4.316 4.827) 6.577 12.438 ( 2.939 -2.920 5.704) 7.050 12.580 ( 3.503 4.432 12.161) 13.409 12.673 ( 2.061 -4.588 0.123) 5.032 12.845 ( -3.069 -1.192 2.042) 3.874 12.917 ( -1.329 -12.227 5.105) 13.316 13.327 ( 6.519 0.986 5.410) 8.529 13.464 ( 2.648 -5.323 5.831) 8.327 13.744 ( -3.293 8.924 5.230) 10.856 14.048 ( -3.120 -5.767 4.929) 8.203 14.339 ( 0.746 4.062 -0.602) 4.174 14.562 ( 1.117 -0.654 -2.523) 2.836 15.111 ( 4.289 22.227 0.177) 22.637 15.424 ( -6.413 9.917 -12.224) 16.998 16.006 ( -0.873 -8.313 -26.211) 27.512 16.071 ( 13.732 -9.884 -7.948) 18.693 ======================= Grid point 99 (54/111) ======================= q-point: (-0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -18.564 6.943 12.700) 23.540 1.356 ( -23.450 10.530 4.533) 26.102 1.966 ( -14.765 -11.332 2.242) 18.747 1.981 ( -5.974 -19.440 4.902) 20.919 2.228 ( -24.271 15.011 10.562) 30.430 2.503 ( -0.116 3.382 -10.648) 11.173 2.620 ( -10.517 6.051 4.149) 12.823 2.758 ( 1.474 3.043 0.855) 3.488 2.771 ( 0.884 3.435 -1.397) 3.812 3.116 ( 3.020 -5.673 1.774) 6.667 3.193 ( 3.222 3.476 -4.771) 6.725 3.394 ( 0.572 0.382 1.533) 1.680 3.471 ( -1.753 -0.806 -0.181) 1.938 3.506 ( -2.419 -7.189 -3.181) 8.225 3.622 ( 9.334 -3.948 -2.290) 10.390 3.792 ( -2.413 -3.242 -0.763) 4.113 3.877 ( 3.415 3.666 -4.955) 7.046 3.910 ( 4.463 6.017 -3.654) 8.335 4.124 ( -0.413 4.763 -5.269) 7.115 4.267 ( 6.132 -9.917 -4.481) 12.491 4.364 ( -2.945 -0.126 1.328) 3.233 4.422 ( 0.384 -2.643 0.034) 2.671 4.443 ( -7.552 -4.898 5.748) 10.680 4.473 ( 3.480 0.270 -2.686) 4.404 4.713 ( 3.055 0.101 1.069) 3.239 4.763 ( 3.777 -1.263 -0.093) 3.983 4.858 ( 4.825 -1.063 3.645) 6.140 4.883 ( -1.083 3.623 0.080) 3.782 4.949 ( -0.255 1.810 1.125) 2.147 5.065 ( 0.853 -4.941 -0.660) 5.058 5.199 ( -3.393 6.089 3.845) 7.960 5.252 ( 2.542 2.742 -1.445) 4.009 5.350 ( 2.005 1.208 0.576) 2.410 5.445 ( 9.416 1.188 -2.137) 9.728 5.668 ( 3.149 4.404 -0.096) 5.415 5.747 ( -0.967 0.930 1.931) 2.351 5.864 ( -3.115 -2.118 -0.878) 3.868 5.927 ( 4.193 -4.566 -0.087) 6.200 5.979 ( -1.067 -1.110 2.760) 3.160 6.021 ( -2.374 -0.498 3.979) 4.660 6.216 ( 3.717 0.963 0.293) 3.851 6.369 ( 0.668 -4.324 -2.297) 4.942 6.683 ( 0.570 8.980 1.687) 9.155 6.710 ( -1.678 1.219 0.872) 2.250 6.762 ( -2.521 1.195 2.820) 3.967 6.991 ( 2.206 1.796 2.809) 3.998 7.089 ( 0.719 -5.032 -0.356) 5.096 7.275 ( 7.785 -4.730 -4.989) 10.386 7.525 ( 6.672 -1.304 -8.059) 10.544 7.779 ( 6.905 -5.481 -11.110) 14.183 7.869 ( 1.906 0.228 -4.585) 4.970 7.988 ( 2.046 -5.409 -7.806) 9.715 8.060 ( -0.381 2.370 -0.660) 2.490 8.103 ( 0.803 0.646 -2.038) 2.284 8.290 ( -1.670 3.304 4.858) 6.107 8.436 ( -0.993 0.939 1.834) 2.287 8.600 ( 1.562 3.769 -2.501) 4.785 8.680 ( -0.904 0.205 -2.118) 2.312 8.762 ( -0.346 0.339 -2.332) 2.382 8.961 ( -3.255 -2.390 0.697) 4.098 9.006 ( -5.720 0.360 7.315) 9.293 9.187 ( -3.156 2.441 2.555) 4.738 9.327 ( -1.030 -3.112 4.715) 5.742 9.482 ( -4.144 -5.693 -4.438) 8.323 9.709 ( 1.047 1.568 2.625) 3.232 9.778 ( 5.043 -0.158 5.830) 7.710 9.806 ( 8.302 0.349 8.672) 12.011 9.844 ( 2.021 -0.739 1.880) 2.857 10.014 ( -2.614 2.184 -8.991) 9.614 10.073 ( -2.824 0.570 -6.832) 7.415 10.233 ( 0.059 3.506 2.148) 4.112 10.367 ( -2.236 -0.011 0.508) 2.293 10.498 ( -3.763 2.576 -2.601) 5.250 10.605 ( -2.619 2.199 -4.295) 5.490 10.826 ( -5.357 4.021 10.664) 12.593 11.058 ( -6.386 2.571 -0.737) 6.923 11.177 ( -3.810 -0.868 6.618) 7.685 11.261 ( -3.950 -1.338 6.151) 7.432 11.791 ( -3.492 -0.879 -0.500) 3.635 11.956 ( -4.300 -5.490 -0.160) 6.975 12.291 ( -3.471 -2.256 1.830) 4.526 12.526 ( 2.369 -8.655 -1.113) 9.042 12.706 ( 2.196 -0.466 1.400) 2.646 12.763 ( 4.849 1.492 3.777) 6.325 12.842 ( 1.470 1.470 3.396) 3.982 12.931 ( -1.699 -11.111 4.436) 12.084 13.450 ( -1.580 -2.235 5.216) 5.890 13.552 ( 0.449 -8.882 4.042) 9.769 13.771 ( 2.355 8.066 8.264) 11.785 14.071 ( 1.154 -5.004 8.292) 9.753 14.372 ( 2.215 4.428 2.305) 5.461 14.578 ( 2.092 -1.102 -0.903) 2.531 15.111 ( -3.760 12.498 -7.725) 15.166 15.316 ( 3.662 16.250 2.756) 16.884 15.718 ( -2.809 3.176 -30.081) 30.379 16.282 ( 15.054 -8.216 -10.831) 20.284 ======================= Grid point 100 (55/111) ======================= q-point: (-0.12 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -11.985 10.030 18.998) 24.600 1.185 ( -6.532 11.785 25.040) 28.435 1.837 ( -8.099 -5.149 17.618) 20.063 1.860 ( -9.629 -18.167 6.461) 21.552 1.976 ( -13.654 7.097 24.874) 29.250 2.423 ( 3.052 2.705 -11.745) 12.433 2.566 ( 1.108 3.530 2.359) 4.388 2.645 ( -1.168 0.765 4.615) 4.821 2.990 ( 10.195 3.845 -4.705) 11.869 3.172 ( 2.913 -1.106 1.054) 3.289 3.259 ( 4.968 -0.682 -4.096) 6.475 3.425 ( 0.168 -4.497 1.452) 4.729 3.454 ( -1.173 3.908 2.298) 4.683 3.479 ( 1.535 -1.392 3.042) 3.681 3.613 ( -6.168 1.023 1.456) 6.420 3.777 ( -3.237 -2.773 -3.574) 5.563 3.883 ( 2.398 1.716 -4.400) 5.296 4.004 ( 5.108 6.180 -5.147) 9.528 4.043 ( 4.995 2.010 -7.070) 8.887 4.242 ( -10.528 -2.326 7.291) 13.016 4.300 ( -2.962 0.255 -5.784) 6.504 4.369 ( 1.892 -5.015 4.283) 6.862 4.477 ( 2.543 -3.365 0.138) 4.220 4.605 ( 8.273 -7.357 -0.085) 11.071 4.736 ( 0.062 1.074 -2.155) 2.409 4.813 ( -2.362 -1.292 0.470) 2.733 4.892 ( 3.534 0.098 4.520) 5.739 4.956 ( 0.794 -1.662 5.146) 5.466 5.026 ( 3.528 2.061 3.698) 5.511 5.080 ( 4.180 -6.331 -5.543) 9.396 5.215 ( 5.086 2.600 -0.367) 5.723 5.361 ( 6.503 8.129 3.242) 10.903 5.385 ( 3.028 -1.309 -3.732) 4.981 5.585 ( 5.472 2.241 -0.416) 5.928 5.709 ( 1.620 4.029 -2.693) 5.109 5.755 ( -2.317 -1.182 0.125) 2.604 5.784 ( 0.527 1.990 1.259) 2.414 5.916 ( -5.050 -1.831 3.478) 6.399 5.978 ( -0.531 -2.131 1.583) 2.707 6.067 ( 2.654 0.264 1.557) 3.089 6.276 ( 1.270 -1.683 -2.876) 3.566 6.317 ( -4.353 -1.478 1.259) 4.766 6.653 ( -3.304 1.757 -1.107) 3.903 6.677 ( -2.656 5.489 1.598) 6.304 6.743 ( -1.509 0.957 3.257) 3.715 6.941 ( -6.231 2.056 -1.405) 6.710 7.127 ( 1.076 -3.068 1.111) 3.436 7.401 ( 6.735 -8.641 -3.472) 11.492 7.643 ( 9.346 1.124 -5.061) 10.687 7.816 ( 5.600 -2.015 -9.650) 11.337 7.867 ( 2.273 -1.164 -3.718) 4.511 7.955 ( 2.086 -1.707 -6.560) 7.093 8.058 ( 0.902 -0.522 -2.086) 2.332 8.087 ( -0.471 -1.602 -2.600) 3.090 8.261 ( -5.941 3.165 3.001) 7.371 8.437 ( -3.050 -2.361 2.098) 4.391 8.597 ( 3.038 6.389 -4.206) 8.230 8.646 ( -0.879 2.961 -1.389) 3.387 8.728 ( 0.069 1.281 -4.469) 4.649 8.804 ( -6.721 6.367 -2.681) 9.639 8.970 ( -6.560 -7.470 -1.695) 10.085 9.115 ( -5.753 2.486 1.076) 6.359 9.211 ( -9.020 -6.365 -6.837) 12.985 9.338 ( -2.577 -4.524 0.111) 5.208 9.719 ( -1.894 1.231 -1.699) 2.827 9.787 ( -1.333 1.006 0.623) 1.782 9.845 ( 0.387 0.580 -0.863) 1.109 9.915 ( -4.375 -1.971 -2.181) 5.271 10.073 ( 6.112 1.926 3.016) 7.083 10.149 ( 9.728 -2.273 10.175) 14.260 10.300 ( 0.165 1.856 4.634) 4.995 10.351 ( 2.625 0.942 0.573) 2.847 10.482 ( 1.472 5.085 3.130) 6.149 10.584 ( 2.362 4.350 0.894) 5.030 10.828 ( -1.878 6.519 7.659) 10.231 10.967 ( -5.154 3.342 4.716) 7.744 11.163 ( -1.250 -2.946 5.400) 6.277 11.286 ( -2.794 -3.725 12.698) 13.525 11.749 ( -1.374 -1.850 1.918) 2.998 11.926 ( -0.716 -6.669 5.119) 8.437 12.227 ( -3.495 0.048 0.127) 3.497 12.507 ( -1.208 -9.833 -4.549) 10.902 12.722 ( 0.089 -1.413 -2.466) 2.844 12.805 ( -0.501 3.126 -3.751) 4.909 12.879 ( -2.157 -2.476 -1.153) 3.480 12.976 ( 4.290 -4.100 0.790) 5.987 13.304 ( -14.963 -9.089 1.503) 17.572 13.515 ( -3.143 -10.604 -2.918) 11.439 13.905 ( 0.479 6.614 7.982) 10.377 14.223 ( 2.873 -5.554 9.340) 11.240 14.487 ( 4.165 3.171 8.264) 9.782 14.628 ( 2.661 -1.361 1.048) 3.167 15.029 ( 2.280 6.341 -1.543) 6.913 15.298 ( -8.155 -2.193 -7.684) 11.417 15.701 ( 25.411 32.330 -8.537) 41.998 16.434 ( 11.023 -6.087 -14.446) 19.164 ======================= Grid point 101 (56/111) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -1.307 -16.732 12.053) 20.662 1.431 ( -1.307 16.732 12.053) 20.662 1.594 ( -3.741 -14.599 15.517) 21.631 1.594 ( -3.741 14.599 15.517) 21.631 2.398 ( 4.398 -10.532 13.985) 18.051 2.398 ( 4.398 10.532 13.985) 18.051 2.754 ( 11.305 -4.817 6.290) 13.804 2.754 ( 11.305 4.817 6.290) 13.804 3.132 ( 4.160 -2.457 -1.329) 5.011 3.132 ( 4.160 2.457 -1.329) 5.011 3.420 ( 4.261 -4.388 -1.834) 6.385 3.420 ( 4.261 4.388 -1.834) 6.385 3.540 ( -5.342 -6.620 -4.398) 9.577 3.540 ( -5.342 6.620 -4.398) 9.577 3.604 ( 0.498 -1.856 4.966) 5.325 3.604 ( 0.498 1.856 4.966) 5.325 3.895 ( 0.078 -1.454 -1.954) 2.437 3.895 ( 0.078 1.454 -1.954) 2.437 4.191 ( -2.509 -4.453 2.249) 5.584 4.191 ( -2.509 4.453 2.249) 5.584 4.295 ( -0.190 -8.191 -0.925) 8.245 4.295 ( -0.190 8.191 -0.925) 8.245 4.569 ( 6.736 -9.278 3.180) 11.898 4.569 ( 6.736 9.278 3.180) 11.898 4.731 ( -3.310 -3.227 -4.624) 6.538 4.731 ( -3.310 3.227 -4.624) 6.538 4.971 ( 0.721 -3.417 -0.022) 3.492 4.971 ( 0.721 3.417 -0.022) 3.492 5.052 ( 2.601 -2.910 3.358) 5.148 5.052 ( 2.601 2.910 3.358) 5.148 5.343 ( 2.518 -2.170 -3.803) 5.051 5.343 ( 2.518 2.170 -3.803) 5.051 5.586 ( -3.927 -0.672 -3.859) 5.546 5.586 ( -3.927 0.672 -3.859) 5.546 5.746 ( 5.116 -0.869 3.352) 6.177 5.746 ( 5.116 0.869 3.352) 6.177 5.913 ( 0.600 -3.894 2.038) 4.436 5.913 ( 0.600 3.894 2.038) 4.436 6.065 ( 2.216 -6.651 1.565) 7.183 6.065 ( 2.216 6.651 1.565) 7.183 6.247 ( -1.234 -3.208 3.260) 4.738 6.247 ( -1.234 3.208 3.260) 4.738 6.586 ( -7.969 -0.910 2.592) 8.429 6.586 ( -7.969 0.910 2.592) 8.429 6.835 ( 0.752 -0.967 -2.434) 2.725 6.835 ( 0.752 0.967 -2.434) 2.725 7.192 ( -1.071 -9.010 -1.722) 9.235 7.192 ( -1.071 9.010 -1.722) 9.235 7.748 ( -1.348 -3.136 -7.004) 7.791 7.748 ( -1.348 3.136 -7.004) 7.791 7.924 ( 2.685 -3.105 -5.597) 6.940 7.924 ( 2.685 3.105 -5.597) 6.940 7.967 ( -4.412 -1.633 -1.942) 5.089 7.967 ( -4.412 1.633 -1.942) 5.089 8.304 ( 0.485 -4.009 -1.874) 4.452 8.304 ( 0.485 4.009 -1.874) 4.452 8.642 ( -4.762 -2.295 -2.581) 5.883 8.642 ( -4.762 2.295 -2.581) 5.883 8.746 ( 1.842 -0.533 -7.998) 8.225 8.746 ( 1.842 0.533 -7.998) 8.225 8.934 ( 2.884 -10.678 1.741) 11.197 8.934 ( 2.884 10.678 1.741) 11.197 9.149 ( -3.718 -6.641 1.056) 7.684 9.149 ( -3.718 6.641 1.056) 7.684 9.704 ( -3.625 -4.142 -0.107) 5.505 9.704 ( -3.625 4.142 -0.107) 5.505 9.844 ( -0.504 -0.710 0.731) 1.137 9.844 ( -0.504 0.710 0.731) 1.137 10.231 ( 2.553 -3.871 2.980) 5.512 10.231 ( 2.553 3.871 2.980) 5.512 10.361 ( -0.122 -2.731 0.638) 2.807 10.361 ( -0.122 2.731 0.638) 2.807 10.707 ( 4.671 -3.121 4.945) 7.484 10.707 ( 4.671 3.121 4.945) 7.484 11.030 ( -3.370 -6.934 3.419) 8.433 11.030 ( -3.370 6.934 3.419) 8.433 11.246 ( 4.665 -5.460 14.755) 16.409 11.246 ( 4.665 5.460 14.755) 16.409 11.827 ( 3.063 -7.618 9.664) 12.681 11.827 ( 3.063 7.618 9.664) 12.681 12.272 ( -1.502 -6.700 -4.346) 8.126 12.272 ( -1.502 6.700 -4.346) 8.126 12.687 ( -3.268 -3.969 -0.513) 5.166 12.687 ( -3.268 3.969 -0.513) 5.166 12.796 ( -7.451 -5.634 -3.500) 9.975 12.796 ( -7.451 5.634 -3.500) 9.975 13.190 ( -2.241 -10.727 -6.312) 12.647 13.190 ( -2.241 10.727 -6.312) 12.647 14.131 ( -3.647 -9.675 8.437) 13.345 14.131 ( -3.647 9.675 8.437) 13.345 14.661 ( 0.350 -2.484 5.850) 6.366 14.661 ( 0.350 2.484 5.850) 6.366 15.229 ( 6.477 -1.711 -0.247) 6.704 15.229 ( 6.477 1.711 -0.247) 6.704 16.332 ( 10.236 -6.671 -16.913) 20.864 16.332 ( 10.236 6.671 -16.913) 20.864 ======================= Grid point 103 (57/111) ======================= q-point: ( 0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 2.437 -9.634 5.915) 11.564 1.536 ( 2.437 9.634 5.915) 11.564 1.693 ( 2.501 -10.767 17.845) 20.991 1.693 ( 2.501 10.767 17.845) 20.991 2.604 ( 9.166 -6.016 0.259) 10.967 2.604 ( 9.166 6.016 0.259) 10.967 2.984 ( 0.900 -4.446 0.115) 4.538 2.984 ( 0.900 4.446 0.115) 4.538 3.241 ( 3.352 -4.011 -0.481) 5.249 3.241 ( 3.352 4.011 -0.481) 5.249 3.440 ( 4.213 -7.851 5.326) 10.380 3.440 ( 4.213 7.851 5.326) 10.380 3.469 ( 1.510 -2.684 1.396) 3.381 3.469 ( 1.510 2.684 1.396) 3.381 3.700 ( 5.336 -1.435 4.935) 7.409 3.700 ( 5.336 1.435 4.935) 7.409 3.891 ( -0.458 -1.813 -0.000) 1.870 3.891 ( -0.458 1.813 -0.000) 1.870 4.150 ( -2.504 -8.892 -0.012) 9.238 4.150 ( -2.504 8.892 -0.012) 9.238 4.299 ( 1.470 -6.352 -0.583) 6.546 4.299 ( 1.470 6.352 -0.583) 6.546 4.626 ( -1.308 -3.078 -3.830) 5.085 4.626 ( -1.308 3.078 -3.830) 5.085 4.683 ( 1.253 -10.787 -0.227) 10.862 4.683 ( 1.253 10.787 -0.227) 10.862 4.965 ( -1.169 -4.256 0.611) 4.456 4.965 ( -1.169 4.256 0.611) 4.456 5.129 ( 0.143 -1.075 5.829) 5.929 5.129 ( 0.143 1.075 5.829) 5.929 5.298 ( -4.764 -2.693 1.013) 5.565 5.298 ( -4.764 2.693 1.013) 5.565 5.511 ( 1.731 -3.297 -9.055) 9.791 5.511 ( 1.731 3.297 -9.055) 9.791 5.810 ( -2.723 -1.828 3.502) 4.798 5.810 ( -2.723 1.828 3.502) 4.798 5.930 ( -1.698 -1.112 0.133) 2.034 5.930 ( -1.698 1.112 0.133) 2.034 6.038 ( -1.154 -4.533 0.541) 4.709 6.038 ( -1.154 4.533 0.541) 4.709 6.308 ( -4.413 -3.537 2.827) 6.323 6.308 ( -4.413 3.537 2.827) 6.323 6.478 ( 0.822 -1.757 4.313) 4.729 6.478 ( 0.822 1.757 4.313) 4.729 6.881 ( 3.756 -6.916 0.130) 7.871 6.881 ( 3.756 6.916 0.130) 7.871 7.139 ( -3.001 -7.168 -0.974) 7.832 7.139 ( -3.001 7.168 -0.974) 7.832 7.570 ( -6.223 -0.496 -6.842) 9.262 7.570 ( -6.223 0.496 -6.842) 9.262 7.874 ( -1.472 -2.837 -5.469) 6.334 7.874 ( -1.472 2.837 -5.469) 6.334 7.938 ( 1.978 -1.648 -3.766) 4.562 7.938 ( 1.978 1.648 -3.766) 4.562 8.292 ( -0.527 -4.817 -4.959) 6.934 8.292 ( -0.527 4.817 -4.959) 6.934 8.607 ( 2.791 -1.727 -0.191) 3.288 8.607 ( 2.791 1.727 -0.191) 3.288 8.692 ( 0.365 -2.124 -6.990) 7.315 8.692 ( 0.365 2.124 -6.990) 7.315 9.049 ( 3.544 -8.910 1.838) 9.764 9.049 ( 3.544 8.910 1.838) 9.764 9.117 ( 0.800 -4.418 2.769) 5.275 9.117 ( 0.800 4.418 2.769) 5.275 9.636 ( -4.151 -5.366 1.465) 6.940 9.636 ( -4.151 5.366 1.465) 6.940 9.840 ( -1.035 -2.020 0.993) 2.477 9.840 ( -1.035 2.020 0.993) 2.477 10.267 ( -0.450 -3.552 1.011) 3.720 10.267 ( -0.450 3.552 1.011) 3.720 10.356 ( -0.619 -2.431 0.971) 2.690 10.356 ( -0.619 2.431 0.971) 2.690 10.820 ( 1.485 -3.840 6.725) 7.885 10.820 ( 1.485 3.840 6.725) 7.885 11.018 ( 0.215 -6.587 1.210) 6.700 11.018 ( 0.215 6.587 1.210) 6.700 11.481 ( 6.955 -1.613 12.118) 14.065 11.481 ( 6.955 1.613 12.118) 14.065 11.995 ( 4.113 -7.358 7.417) 11.228 11.995 ( 4.113 7.358 7.417) 11.228 12.202 ( -1.793 -7.268 -1.411) 7.618 12.202 ( -1.793 7.268 -1.411) 7.618 12.601 ( -6.863 -8.829 2.513) 11.461 12.601 ( -6.863 8.829 2.513) 11.461 12.660 ( -0.162 -5.149 -4.640) 6.933 12.660 ( -0.162 5.149 -4.640) 6.933 13.127 ( 0.272 -10.218 -6.458) 12.091 13.127 ( 0.272 10.218 -6.458) 12.091 14.106 ( -5.936 -10.665 8.588) 14.925 14.106 ( -5.936 10.665 8.588) 14.925 14.675 ( -2.973 -3.492 3.946) 6.050 14.675 ( -2.973 3.492 3.946) 6.050 15.349 ( 6.318 -7.780 -3.342) 10.565 15.349 ( 6.318 7.780 -3.342) 10.565 16.324 ( 3.446 -3.032 -14.882) 15.573 16.324 ( 3.446 3.032 -14.882) 15.573 ======================= Grid point 105 (58/111) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 5.586 -1.282 5.229) 7.758 1.651 ( 5.586 1.282 5.229) 7.758 1.976 ( 9.120 -7.645 16.911) 20.678 1.976 ( 9.120 7.645 16.911) 20.678 2.715 ( 0.725 -5.455 -5.181) 7.558 2.715 ( 0.725 5.455 -5.181) 7.558 2.873 ( -1.795 -3.824 -4.502) 6.174 2.873 ( -1.795 3.824 -4.502) 6.174 3.244 ( 2.772 -4.821 -6.135) 8.280 3.244 ( 2.772 4.821 -6.135) 8.280 3.393 ( -5.240 -4.432 -1.857) 7.110 3.393 ( -5.240 4.432 -1.857) 7.110 3.642 ( 1.796 -2.977 1.722) 3.880 3.642 ( 1.796 2.977 1.722) 3.880 3.849 ( -2.319 -5.486 0.040) 5.956 3.849 ( -2.319 5.486 0.040) 5.956 3.978 ( 14.497 -4.027 3.715) 15.498 3.978 ( 14.497 4.027 3.715) 15.498 4.145 ( 2.163 -4.935 2.840) 6.091 4.145 ( 2.163 4.935 2.840) 6.091 4.333 ( 1.128 -4.007 2.141) 4.681 4.333 ( 1.128 4.007 2.141) 4.681 4.595 ( 1.057 -3.413 -2.857) 4.575 4.595 ( 1.057 3.413 -2.857) 4.575 4.664 ( -0.294 -8.582 -3.863) 9.416 4.664 ( -0.294 8.582 -3.863) 9.416 4.947 ( -3.035 -2.386 4.070) 5.610 4.947 ( -3.035 2.386 4.070) 5.610 5.073 ( -9.409 -3.102 7.482) 12.415 5.073 ( -9.409 3.102 7.482) 12.415 5.301 ( 3.291 -2.225 -0.468) 4.000 5.301 ( 3.291 2.225 -0.468) 4.000 5.416 ( -6.746 -0.865 -5.506) 8.750 5.416 ( -6.746 0.865 -5.506) 8.750 5.719 ( -6.869 -1.641 -0.549) 7.084 5.719 ( -6.869 1.641 -0.549) 7.084 5.843 ( -3.808 -5.050 -1.025) 6.408 5.843 ( -3.808 5.050 -1.025) 6.408 6.025 ( -2.902 -4.809 0.315) 5.625 6.025 ( -2.902 4.809 0.315) 5.625 6.244 ( -0.313 -0.224 3.774) 3.794 6.244 ( -0.313 0.224 3.774) 3.794 6.604 ( 3.468 -1.641 6.480) 7.530 6.604 ( 3.468 1.641 6.480) 7.530 6.900 ( -3.502 -5.512 -2.210) 6.894 6.900 ( -3.502 5.512 -2.210) 6.894 7.065 ( -0.880 -5.309 -2.926) 6.125 7.065 ( -0.880 5.309 -2.926) 6.125 7.529 ( 4.024 -3.622 1.227) 5.552 7.529 ( 4.024 3.622 1.227) 5.552 7.797 ( 0.285 -2.273 -7.473) 7.816 7.797 ( 0.285 2.273 -7.473) 7.816 7.950 ( 2.764 -3.144 -4.191) 5.924 7.950 ( 2.764 3.144 -4.191) 5.924 8.234 ( 0.038 -3.909 -4.761) 6.160 8.234 ( 0.038 3.909 -4.761) 6.160 8.651 ( 1.285 -2.648 -3.427) 4.517 8.651 ( 1.285 2.648 -3.427) 4.517 8.693 ( 3.412 -3.933 0.113) 5.208 8.693 ( 3.412 3.933 0.113) 5.208 9.064 ( -0.074 -3.680 0.447) 3.708 9.064 ( -0.074 3.680 0.447) 3.708 9.232 ( 4.131 -7.142 5.058) 9.678 9.232 ( 4.131 7.142 5.058) 9.678 9.566 ( -4.745 -7.496 2.467) 9.208 9.566 ( -4.745 7.496 2.467) 9.208 9.813 ( -2.000 -2.782 -0.125) 3.428 9.813 ( -2.000 2.782 -0.125) 3.428 10.249 ( -1.283 -2.705 0.073) 2.995 10.249 ( -1.283 2.705 0.073) 2.995 10.357 ( -0.052 -3.652 0.376) 3.672 10.357 ( -0.052 3.652 0.376) 3.672 10.874 ( -1.842 -3.973 6.655) 7.966 10.874 ( -1.842 3.973 6.655) 7.966 11.044 ( 2.126 -5.465 -1.300) 6.006 11.044 ( 2.126 5.465 -1.300) 6.006 11.700 ( 4.809 -1.822 9.974) 11.221 11.700 ( 4.809 1.822 9.974) 11.221 12.019 ( -3.272 -3.518 1.603) 5.065 12.019 ( -3.272 3.518 1.603) 5.065 12.230 ( 3.345 -9.022 -0.283) 9.626 12.230 ( 3.345 9.022 -0.283) 9.626 12.549 ( -2.579 -16.029 5.124) 17.024 12.549 ( -2.579 16.029 5.124) 17.024 12.658 ( 2.488 -6.849 -1.688) 7.480 12.658 ( 2.488 6.849 -1.688) 7.480 13.085 ( 0.953 -9.904 -4.610) 10.966 13.085 ( 0.953 9.904 -4.610) 10.966 14.059 ( -6.435 -10.345 8.823) 15.042 14.059 ( -6.435 10.345 8.823) 15.042 14.622 ( -4.332 -5.430 0.905) 7.005 14.622 ( -4.332 5.430 0.905) 7.005 15.414 ( 4.846 -15.575 -5.812) 17.316 15.414 ( 4.846 15.575 -5.812) 17.316 16.232 ( -0.132 -9.597 -13.495) 16.560 16.232 ( -0.132 9.597 -13.495) 16.560 ======================= Grid point 107 (59/111) ======================= q-point: ( 0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 6.003 -5.855 6.107) 10.374 1.829 ( 6.003 5.855 6.107) 10.374 2.238 ( 2.769 -3.914 11.485) 12.445 2.238 ( 2.769 3.914 11.485) 12.445 2.595 ( -4.227 -5.723 0.317) 7.122 2.595 ( -4.227 5.723 0.317) 7.122 2.897 ( 3.652 -1.127 -5.657) 6.827 2.897 ( 3.652 1.127 -5.657) 6.827 3.224 ( -0.809 -7.461 -8.558) 11.383 3.224 ( -0.809 7.461 -8.558) 11.383 3.291 ( 1.489 -1.326 -2.848) 3.476 3.291 ( 1.489 1.326 -2.848) 3.476 3.549 ( -4.187 -4.384 -10.350) 11.994 3.549 ( -4.187 4.384 -10.350) 11.994 3.870 ( 1.132 -2.106 0.973) 2.581 3.870 ( 1.132 2.106 0.973) 2.581 4.104 ( 2.988 -2.545 -6.078) 7.235 4.104 ( 2.988 2.545 -6.078) 7.235 4.216 ( -1.787 -3.036 -2.375) 4.249 4.216 ( -1.787 3.036 -2.375) 4.249 4.374 ( -0.497 -6.820 4.982) 8.460 4.374 ( -0.497 6.820 4.982) 8.460 4.579 ( -0.624 -3.404 -1.814) 3.907 4.579 ( -0.624 3.404 -1.814) 3.907 4.686 ( 5.157 -4.882 -1.993) 7.375 4.686 ( 5.157 4.882 -1.993) 7.375 4.871 ( -8.390 -9.358 1.825) 12.701 4.871 ( -8.390 9.358 1.825) 12.701 5.030 ( -1.044 -6.274 8.466) 10.589 5.030 ( -1.044 6.274 8.466) 10.589 5.179 ( -10.912 -4.887 2.964) 12.318 5.179 ( -10.912 4.887 2.964) 12.318 5.348 ( 0.071 -3.039 -1.359) 3.330 5.348 ( 0.071 3.039 -1.359) 3.330 5.622 ( -1.745 -0.697 0.637) 1.984 5.622 ( -1.745 0.697 0.637) 1.984 5.791 ( -0.116 -4.747 -3.141) 5.693 5.791 ( -0.116 4.747 -3.141) 5.693 5.988 ( -1.880 -1.572 3.225) 4.051 5.988 ( -1.880 1.572 3.225) 4.051 6.293 ( -0.088 -4.713 4.992) 6.866 6.293 ( -0.088 4.713 4.992) 6.866 6.703 ( 2.011 -0.255 4.886) 5.290 6.703 ( 2.011 0.255 4.886) 5.290 6.752 ( -5.336 -1.573 -4.931) 7.434 6.752 ( -5.336 1.573 -4.931) 7.434 7.067 ( 2.694 -5.206 -4.405) 7.332 7.067 ( 2.694 5.206 -4.405) 7.332 7.596 ( 0.009 -5.645 0.162) 5.648 7.596 ( 0.009 5.645 0.162) 5.648 7.815 ( 6.185 -0.860 -5.020) 8.012 7.815 ( 6.185 0.860 -5.020) 8.012 7.990 ( 4.906 -2.367 -2.224) 5.884 7.990 ( 4.906 2.367 -2.224) 5.884 8.241 ( 3.478 -3.016 -0.570) 4.639 8.241 ( 3.478 3.016 -0.570) 4.639 8.655 ( 1.456 -2.432 -2.446) 3.744 8.655 ( 1.456 2.432 -2.446) 3.744 8.741 ( 0.999 -6.772 0.693) 6.881 8.741 ( 0.999 6.772 0.693) 6.881 9.085 ( 2.037 -1.185 0.479) 2.404 9.085 ( 2.037 1.185 0.479) 2.404 9.315 ( -1.064 -7.351 6.290) 9.733 9.315 ( -1.064 7.351 6.290) 9.733 9.504 ( -3.650 -10.045 3.367) 11.205 9.504 ( -3.650 10.045 3.367) 11.205 9.773 ( -1.115 -2.515 -1.168) 2.988 9.773 ( -1.115 2.515 -1.168) 2.988 10.230 ( -0.499 -2.711 -0.388) 2.784 10.230 ( -0.499 2.711 -0.388) 2.784 10.356 ( -0.018 -3.926 -0.566) 3.966 10.356 ( -0.018 3.926 -0.566) 3.966 10.861 ( -4.266 -3.746 4.675) 7.354 10.861 ( -4.266 3.746 4.675) 7.354 11.073 ( 2.145 -6.490 -1.792) 7.066 11.073 ( 2.145 6.490 -1.792) 7.066 11.741 ( -6.003 -3.297 0.029) 6.849 11.741 ( -6.003 3.297 0.029) 6.849 12.039 ( 2.480 -3.068 6.698) 7.774 12.039 ( 2.480 3.068 6.698) 7.774 12.275 ( 1.889 -7.682 -3.556) 8.673 12.275 ( 1.889 7.682 -3.556) 8.673 12.516 ( -4.217 -12.737 4.915) 14.289 12.516 ( -4.217 12.737 4.915) 14.289 12.721 ( 2.887 -6.567 1.374) 7.304 12.721 ( 2.887 6.567 1.374) 7.304 13.116 ( 4.289 -7.415 0.300) 8.571 13.116 ( 4.289 7.415 0.300) 8.571 14.009 ( -6.415 -8.944 8.706) 14.034 14.009 ( -6.415 8.944 8.706) 14.034 14.539 ( -3.166 -6.505 -2.126) 7.541 14.539 ( -3.166 6.505 -2.126) 7.541 15.459 ( 5.365 -20.273 -5.752) 21.745 15.459 ( 5.365 20.273 -5.752) 21.745 16.097 ( -1.399 -13.367 -14.547) 19.805 16.097 ( -1.399 13.367 -14.547) 19.805 ======================= Grid point 109 (60/111) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -8.006 -5.584 5.650) 11.278 1.870 ( -8.006 5.584 5.650) 11.278 2.378 ( 8.600 -9.319 4.934) 13.608 2.378 ( 8.600 9.319 4.934) 13.608 2.474 ( -14.565 -6.339 3.291) 16.222 2.474 ( -14.565 6.339 3.291) 16.222 2.896 ( 0.112 -7.154 -3.446) 7.942 2.896 ( 0.112 7.154 -3.446) 7.942 3.190 ( 6.104 -2.189 -8.739) 10.882 3.190 ( 6.104 2.189 -8.739) 10.882 3.277 ( -1.494 -8.401 -13.765) 16.196 3.277 ( -1.494 8.401 -13.765) 16.196 3.446 ( 3.581 -1.774 -4.314) 5.880 3.446 ( 3.581 1.774 -4.314) 5.880 3.784 ( -8.939 -2.945 -5.120) 10.714 3.784 ( -8.939 2.945 -5.120) 10.714 4.053 ( -3.392 -2.337 -0.715) 4.181 4.053 ( -3.392 2.337 -0.715) 4.181 4.116 ( -1.290 -1.890 -7.156) 7.513 4.116 ( -1.290 1.890 -7.156) 7.513 4.342 ( -3.016 -4.923 1.135) 5.884 4.342 ( -3.016 4.923 1.135) 5.884 4.585 ( 1.014 -3.990 -1.378) 4.341 4.585 ( 1.014 3.990 -1.378) 4.341 4.707 ( -2.749 -13.135 3.369) 13.836 4.707 ( -2.749 13.135 3.369) 13.836 4.790 ( -1.645 -7.606 3.604) 8.576 4.790 ( -1.645 7.606 3.604) 8.576 5.074 ( -1.408 -0.671 2.762) 3.172 5.074 ( -1.408 0.671 2.762) 3.172 5.117 ( 1.253 -0.434 2.608) 2.926 5.117 ( 1.253 0.434 2.608) 2.926 5.330 ( -0.988 -3.702 3.111) 4.936 5.330 ( -0.988 3.702 3.111) 4.936 5.641 ( 1.686 -4.228 0.624) 4.595 5.641 ( 1.686 4.228 0.624) 4.595 5.785 ( 1.625 -4.749 -1.194) 5.160 5.785 ( 1.625 4.749 -1.194) 5.160 5.997 ( -0.649 -2.992 3.617) 4.739 5.997 ( -0.649 2.992 3.617) 4.739 6.295 ( -1.913 -7.896 -0.114) 8.125 6.295 ( -1.913 7.896 -0.114) 8.125 6.674 ( -0.006 -0.940 0.223) 0.966 6.674 ( -0.006 0.940 0.223) 0.966 6.779 ( 1.776 -1.029 4.446) 4.897 6.779 ( 1.776 1.029 4.446) 4.897 7.072 ( 2.383 -7.230 -5.631) 9.469 7.072 ( 2.383 7.230 -5.631) 9.469 7.582 ( 2.015 -6.909 -5.973) 9.353 7.582 ( 2.015 6.909 -5.973) 9.353 7.861 ( 2.949 -2.450 -4.297) 5.759 7.861 ( 2.949 2.450 -4.297) 5.759 8.079 ( 4.422 -2.729 -1.576) 5.430 8.079 ( 4.422 2.729 -1.576) 5.430 8.353 ( 4.731 -4.878 4.425) 8.109 8.353 ( 4.731 4.878 4.425) 8.109 8.646 ( 0.125 -2.576 -2.630) 3.683 8.646 ( 0.125 2.576 -2.630) 3.683 8.762 ( 0.479 -6.339 1.926) 6.642 8.762 ( 0.479 6.339 1.926) 6.642 9.150 ( 3.247 -1.616 1.255) 3.838 9.150 ( 3.247 1.616 1.255) 3.838 9.315 ( -3.472 -5.296 8.075) 10.262 9.315 ( -3.472 5.296 8.075) 10.262 9.493 ( -1.197 -9.496 4.601) 10.620 9.493 ( -1.197 9.496 4.601) 10.620 9.760 ( 0.811 -3.115 -1.256) 3.455 9.760 ( 0.811 3.115 -1.256) 3.455 10.217 ( -0.260 -3.100 -1.599) 3.497 10.217 ( -0.260 3.100 -1.599) 3.497 10.348 ( -0.328 -4.502 -0.485) 4.539 10.348 ( -0.328 4.502 -0.485) 4.539 10.796 ( -5.161 -2.487 1.471) 5.915 10.796 ( -5.161 2.487 1.471) 5.915 11.090 ( 0.431 -7.996 -0.686) 8.037 11.090 ( 0.431 7.996 -0.686) 8.037 11.547 ( -10.587 -2.024 -4.122) 11.540 11.547 ( -10.587 2.024 -4.122) 11.540 12.097 ( -3.886 -6.128 -0.048) 7.257 12.097 ( -3.886 6.128 -0.048) 7.257 12.247 ( 2.084 -7.424 -1.089) 7.787 12.247 ( 2.084 7.424 -1.089) 7.787 12.547 ( -0.061 -6.236 10.680) 12.368 12.547 ( -0.061 6.236 10.680) 12.368 12.766 ( 0.629 -4.861 1.148) 5.034 12.766 ( 0.629 4.861 1.148) 5.034 13.235 ( 5.824 -4.805 2.958) 8.109 13.235 ( 5.824 4.805 2.958) 8.109 13.959 ( -5.927 -7.429 7.912) 12.366 13.959 ( -5.927 7.429 7.912) 12.366 14.477 ( -0.689 -6.684 -3.251) 7.464 14.477 ( -0.689 6.684 -3.251) 7.464 15.530 ( 5.826 -22.478 -3.773) 23.525 15.530 ( 5.826 22.478 -3.773) 23.525 15.937 ( -0.330 -14.983 -17.783) 23.256 15.937 ( -0.330 14.983 -17.783) 23.256 ======================= Grid point 111 (61/111) ======================= q-point: (-0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -12.243 -11.812 5.761) 17.961 1.704 ( -12.243 11.812 5.761) 17.961 2.098 ( -22.403 -11.212 -1.402) 25.092 2.098 ( -22.403 11.212 -1.402) 25.092 2.626 ( 11.055 -11.033 0.266) 15.621 2.626 ( 11.055 11.033 0.266) 15.621 2.809 ( -4.990 -5.483 -4.779) 8.820 2.809 ( -4.990 5.483 -4.779) 8.820 2.987 ( -14.354 -10.419 -4.308) 18.252 2.987 ( -14.354 10.419 -4.308) 18.252 3.287 ( 4.004 -4.278 -6.659) 8.870 3.287 ( 4.004 4.278 -6.659) 8.870 3.456 ( 1.440 -1.944 -2.933) 3.802 3.456 ( 1.440 1.944 -2.933) 3.802 3.648 ( -0.276 -5.143 -1.458) 5.352 3.648 ( -0.276 5.143 -1.458) 5.352 3.966 ( -1.598 -3.357 -1.940) 4.194 3.966 ( -1.598 3.357 -1.940) 4.194 4.118 ( 5.337 -7.426 -5.410) 10.625 4.118 ( 5.337 7.426 -5.410) 10.625 4.338 ( 2.211 -0.565 -2.337) 3.267 4.338 ( 2.211 0.565 -2.337) 3.267 4.520 ( -7.250 -2.749 2.708) 8.213 4.520 ( -7.250 2.749 2.708) 8.213 4.752 ( -0.520 -9.085 4.893) 10.332 4.752 ( -0.520 9.085 4.893) 10.332 4.775 ( 1.581 -4.172 1.467) 4.697 4.775 ( 1.581 4.172 1.467) 4.697 5.028 ( -3.292 -2.789 -0.569) 4.352 5.028 ( -3.292 2.789 -0.569) 4.352 5.216 ( 5.340 -0.538 2.139) 5.778 5.216 ( 5.340 0.538 2.139) 5.778 5.359 ( 0.642 -1.208 1.873) 2.319 5.359 ( 0.642 1.208 1.873) 2.319 5.690 ( 4.017 -5.700 -0.276) 6.978 5.690 ( 4.017 5.700 -0.276) 6.978 5.814 ( 0.379 -4.158 1.104) 4.319 5.814 ( 0.379 4.158 1.104) 4.319 6.006 ( -1.436 -3.265 2.408) 4.303 6.006 ( -1.436 3.265 2.408) 4.303 6.258 ( 0.347 -6.596 -2.132) 6.941 6.258 ( 0.347 6.596 -2.132) 6.941 6.716 ( 0.557 -0.915 4.482) 4.608 6.716 ( 0.557 0.915 4.482) 4.608 6.857 ( 3.356 -3.606 2.442) 5.498 6.857 ( 3.356 3.606 2.442) 5.498 7.073 ( 2.348 -6.636 -4.467) 8.337 7.073 ( 2.348 6.636 -4.467) 8.337 7.580 ( 4.361 -7.620 -8.666) 12.336 7.580 ( 4.361 7.620 -8.666) 12.336 7.880 ( 3.194 -2.679 -5.022) 6.527 7.880 ( 3.194 2.679 -5.022) 6.527 8.119 ( 1.542 -1.959 -2.474) 3.512 8.119 ( 1.542 1.959 -2.474) 3.512 8.412 ( -2.036 -6.084 3.104) 7.128 8.412 ( -2.036 6.084 3.104) 7.128 8.656 ( 2.477 -4.369 -1.604) 5.272 8.656 ( 2.477 4.369 -1.604) 5.272 8.789 ( 0.201 -4.816 2.690) 5.520 8.789 ( 0.201 4.816 2.690) 5.520 9.202 ( 0.202 -4.463 3.598) 5.736 9.202 ( 0.202 4.463 3.598) 5.736 9.340 ( -2.910 -7.114 6.919) 10.341 9.340 ( -2.910 7.114 6.919) 10.341 9.562 ( 4.793 -2.991 7.161) 9.121 9.562 ( 4.793 2.991 7.161) 9.121 9.775 ( 1.375 -3.488 -0.729) 3.819 9.775 ( 1.375 3.488 -0.729) 3.819 10.178 ( -1.106 -2.362 -5.986) 6.530 10.178 ( -1.106 2.362 -5.986) 6.530 10.337 ( -1.111 -5.110 1.160) 5.356 10.337 ( -1.111 5.110 1.160) 5.356 10.680 ( -5.505 -2.122 -4.005) 7.131 10.680 ( -5.505 2.122 -4.005) 7.131 11.068 ( -3.878 -9.962 3.033) 11.112 11.068 ( -3.878 9.962 3.033) 11.112 11.321 ( -8.809 -3.325 -1.039) 9.473 11.321 ( -8.809 3.325 -1.039) 9.473 11.951 ( -7.541 -5.850 -1.799) 9.712 11.951 ( -7.541 5.850 -1.799) 9.712 12.320 ( 3.400 -5.727 -0.123) 6.661 12.320 ( 3.400 5.727 -0.123) 6.661 12.650 ( 0.080 -1.382 12.270) 12.348 12.650 ( 0.080 1.382 12.270) 12.348 12.782 ( 1.124 -2.094 0.079) 2.378 12.782 ( 1.124 2.094 0.079) 2.378 13.373 ( 4.867 -2.999 4.106) 7.038 13.373 ( 4.867 2.999 4.106) 7.038 13.920 ( -4.365 -7.004 6.908) 10.763 13.920 ( -4.365 7.004 6.908) 10.763 14.458 ( 1.029 -6.388 -2.022) 6.779 14.458 ( 1.029 6.388 -2.022) 6.779 15.542 ( -3.882 -8.917 -4.888) 10.885 15.542 ( -3.882 8.917 -4.888) 10.885 15.858 ( 11.011 -2.644 -18.169) 21.409 15.858 ( 11.011 2.644 -18.169) 21.409 ======================= Grid point 113 (62/111) ======================= q-point: (-0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -12.643 -12.275 6.550) 18.799 1.514 ( -12.643 12.275 6.550) 18.799 1.686 ( -17.872 -9.232 4.716) 20.661 1.686 ( -17.872 9.232 4.716) 20.661 2.547 ( -16.289 -9.313 2.305) 18.905 2.547 ( -16.289 9.313 2.305) 18.905 2.661 ( -4.805 -6.745 -2.108) 8.546 2.661 ( -4.805 6.745 -2.108) 8.546 2.945 ( 7.971 -8.606 -0.155) 11.731 2.945 ( 7.971 8.606 -0.155) 11.731 3.286 ( 2.841 -5.489 -3.571) 7.138 3.286 ( 2.841 5.489 -3.571) 7.138 3.461 ( -1.083 -4.033 1.234) 4.354 3.461 ( -1.083 4.033 1.234) 4.354 3.680 ( 2.702 -6.221 0.370) 6.793 3.680 ( 2.702 6.221 0.370) 6.793 3.993 ( 4.958 -5.633 -3.876) 8.446 3.993 ( 4.958 5.633 -3.876) 8.446 4.138 ( 1.591 -3.587 -6.623) 7.698 4.138 ( 1.591 3.587 -6.623) 7.698 4.366 ( 2.472 -3.762 -4.514) 6.375 4.366 ( 2.472 3.762 -4.514) 6.375 4.400 ( -7.726 -2.461 8.088) 11.453 4.400 ( -7.726 2.461 8.088) 11.453 4.772 ( 2.621 -2.698 -0.320) 3.775 4.772 ( 2.621 2.698 -0.320) 3.775 4.870 ( 3.646 -5.350 3.148) 7.199 4.870 ( 3.646 5.350 3.148) 7.199 4.975 ( -1.441 -4.142 -0.381) 4.402 4.975 ( -1.441 4.142 -0.381) 4.402 5.285 ( 1.329 -1.809 -1.955) 2.977 5.285 ( 1.329 1.809 -1.955) 2.977 5.417 ( 4.298 -4.003 3.105) 6.644 5.417 ( 4.298 4.003 3.105) 6.644 5.788 ( 1.622 -3.780 3.550) 5.434 5.788 ( 1.622 3.780 3.550) 5.434 5.805 ( 1.916 -2.850 -3.542) 4.933 5.805 ( 1.916 2.850 -3.542) 4.933 5.985 ( -1.924 -1.884 1.490) 3.078 5.985 ( -1.924 1.884 1.490) 3.078 6.278 ( 2.040 -4.157 -0.608) 4.670 6.278 ( 2.040 4.157 -0.608) 4.670 6.731 ( -3.264 -0.730 4.734) 5.797 6.731 ( -3.264 0.730 4.734) 5.797 6.928 ( 1.101 -9.310 0.067) 9.375 6.928 ( 1.101 9.310 0.067) 9.375 7.103 ( 4.542 -7.925 -2.173) 9.390 7.103 ( 4.542 7.925 -2.173) 9.390 7.617 ( 7.384 -7.627 -8.423) 13.552 7.617 ( 7.384 7.627 -8.423) 13.552 7.893 ( 3.632 -2.718 -7.785) 9.011 7.893 ( 3.632 2.718 -7.785) 9.011 8.104 ( -0.961 -1.514 -1.677) 2.455 8.104 ( -0.961 1.514 -1.677) 2.455 8.393 ( -2.531 -4.400 4.724) 6.934 8.393 ( -2.531 4.400 4.724) 6.934 8.673 ( 1.049 -2.539 -2.244) 3.548 8.673 ( 1.049 2.539 -2.244) 3.548 8.808 ( -0.194 -5.553 0.650) 5.594 8.808 ( -0.194 5.553 0.650) 5.594 9.213 ( -3.838 -10.562 1.936) 11.404 9.213 ( -3.838 10.562 1.936) 11.404 9.271 ( -6.241 -6.598 1.683) 9.237 9.271 ( -6.241 6.598 1.683) 9.237 9.763 ( 4.499 -2.009 3.191) 5.870 9.763 ( 4.499 2.009 3.191) 5.870 9.819 ( 5.342 -1.207 5.436) 7.716 9.819 ( 5.342 1.207 5.436) 7.716 10.056 ( -3.251 -1.926 -9.657) 10.370 10.056 ( -3.251 1.926 -9.657) 10.370 10.328 ( -1.121 -3.799 2.487) 4.677 10.328 ( -1.121 3.799 2.487) 4.677 10.566 ( -1.737 -3.535 -2.580) 4.708 10.566 ( -1.737 3.535 -2.580) 4.708 11.016 ( -5.007 -8.203 7.674) 12.299 11.016 ( -5.007 8.203 7.674) 12.299 11.201 ( -6.192 -3.874 4.614) 8.639 11.201 ( -6.192 3.874 4.614) 8.639 11.812 ( -6.144 -4.840 1.407) 7.947 11.812 ( -6.144 4.840 1.407) 7.947 12.347 ( 0.963 -6.837 -2.939) 7.504 12.347 ( 0.963 6.837 -2.939) 7.504 12.740 ( -0.257 -4.130 6.863) 8.014 12.740 ( -0.257 4.130 6.863) 8.014 12.826 ( 3.087 -2.323 1.189) 4.043 12.826 ( 3.087 2.323 1.189) 4.043 13.457 ( -0.574 -2.190 1.748) 2.860 13.457 ( -0.574 2.190 1.748) 2.860 13.939 ( 0.657 -7.264 8.824) 11.448 13.939 ( 0.657 7.264 8.824) 11.448 14.483 ( 2.085 -5.603 1.094) 6.078 14.483 ( 2.085 5.603 1.094) 6.078 15.343 ( -7.995 -8.591 -8.122) 14.272 15.343 ( -7.995 8.591 -8.122) 14.272 16.012 ( 17.068 -16.831 -14.956) 28.254 16.012 ( 17.068 16.831 -14.956) 28.254 ======================= Grid point 115 (63/111) ======================= q-point: (-0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -6.121 -11.941 12.298) 18.201 1.404 ( -6.121 11.941 12.298) 18.201 1.533 ( -7.678 -9.123 16.485) 20.345 1.533 ( -7.678 9.123 16.485) 20.345 2.328 ( -10.987 -14.559 13.384) 22.623 2.328 ( -10.987 14.559 13.384) 22.623 2.610 ( 2.692 -3.456 -2.929) 5.269 2.610 ( 2.692 3.456 -2.929) 5.269 3.065 ( 5.613 -4.242 -3.095) 7.687 3.065 ( 5.613 4.242 -3.095) 7.687 3.341 ( 4.511 -3.438 -1.720) 5.927 3.341 ( 4.511 3.438 -1.720) 5.927 3.494 ( 2.381 -0.877 4.551) 5.210 3.494 ( 2.381 0.877 4.551) 5.210 3.687 ( -3.471 -5.358 0.828) 6.438 3.687 ( -3.471 5.358 0.828) 6.438 3.955 ( -2.119 -5.385 -7.546) 9.509 3.955 ( -2.119 5.385 -7.546) 9.509 4.185 ( 4.172 -5.733 -0.644) 7.119 4.185 ( 4.172 5.733 -0.644) 7.119 4.312 ( -3.645 -2.771 3.729) 5.905 4.312 ( -3.645 2.771 3.729) 5.905 4.427 ( 3.981 -4.414 0.995) 6.027 4.427 ( 3.981 4.414 0.995) 6.027 4.807 ( 0.774 -2.598 -3.995) 4.828 4.807 ( 0.774 2.598 -3.995) 4.828 4.940 ( 0.564 -2.684 3.262) 4.262 4.940 ( 0.564 2.684 3.262) 4.262 4.981 ( 2.751 -2.733 0.294) 3.889 4.981 ( 2.751 2.733 0.294) 3.889 5.304 ( 4.160 -4.981 -4.713) 8.021 5.304 ( 4.160 4.981 -4.713) 8.021 5.556 ( 6.041 -6.446 4.689) 10.002 5.556 ( 6.041 6.446 4.689) 10.002 5.732 ( -3.692 -0.314 -2.113) 4.265 5.732 ( -3.692 0.314 -2.113) 4.265 5.876 ( 1.248 -2.559 2.831) 4.015 5.876 ( 1.248 2.559 2.831) 4.015 5.989 ( 2.335 -4.706 0.279) 5.260 5.989 ( 2.335 4.706 0.279) 5.260 6.289 ( -1.132 -1.521 -0.496) 1.960 6.289 ( -1.132 1.521 -0.496) 1.960 6.679 ( -5.469 -1.428 4.036) 6.945 6.679 ( -5.469 1.428 4.036) 6.945 6.888 ( -2.891 -7.712 -2.123) 8.505 6.888 ( -2.891 7.712 -2.123) 8.505 7.186 ( 3.380 -9.115 -0.897) 9.762 7.186 ( 3.380 9.115 -0.897) 9.762 7.718 ( 8.339 -4.953 -6.327) 11.580 7.718 ( 8.339 4.953 -6.327) 11.580 7.896 ( 4.789 -2.774 -8.974) 10.543 7.896 ( 4.789 2.774 -8.974) 10.543 8.059 ( -2.860 -1.093 -0.587) 3.117 8.059 ( -2.860 1.093 -0.587) 3.117 8.365 ( -4.841 -4.488 2.825) 7.180 8.365 ( -4.841 4.488 2.825) 7.180 8.690 ( 3.573 -1.602 -3.397) 5.184 8.690 ( 3.573 1.602 -3.397) 5.184 8.780 ( -2.993 -6.623 -0.248) 7.272 8.780 ( -2.993 6.623 -0.248) 7.272 9.019 ( -8.760 -9.822 -6.202) 14.550 9.019 ( -8.760 9.822 -6.202) 14.550 9.214 ( -3.823 -5.613 2.025) 7.087 9.214 ( -3.823 5.613 2.025) 7.087 9.771 ( -1.966 -2.550 -0.719) 3.299 9.771 ( -1.966 2.550 -0.719) 3.299 9.868 ( -1.693 -1.703 -3.282) 4.067 9.868 ( -1.693 1.703 -3.282) 4.067 10.103 ( 6.799 -1.554 6.091) 9.260 10.103 ( 6.799 1.554 6.091) 9.260 10.343 ( 0.766 -1.506 1.369) 2.175 10.343 ( 0.766 1.506 1.369) 2.175 10.585 ( 3.424 -3.267 2.450) 5.329 10.585 ( 3.424 3.267 2.450) 5.329 11.031 ( -0.400 -8.648 7.324) 11.340 11.031 ( -0.400 8.648 7.324) 11.340 11.137 ( -6.335 -9.389 10.943) 15.749 11.137 ( -6.335 9.389 10.943) 15.749 11.755 ( -2.355 -5.003 5.572) 7.850 11.755 ( -2.355 5.003 5.572) 7.850 12.323 ( -0.115 -7.481 -4.167) 8.564 12.323 ( -0.115 7.481 -4.167) 8.564 12.745 ( -1.961 -4.143 0.247) 4.590 12.745 ( -1.961 4.143 0.247) 4.590 12.884 ( 0.446 -3.170 0.091) 3.202 12.884 ( 0.446 3.170 0.091) 3.202 13.349 ( -7.555 -6.585 -4.864) 11.140 13.349 ( -7.555 6.585 -4.864) 11.140 14.073 ( 2.030 -7.976 10.070) 13.005 14.073 ( 2.030 7.976 10.070) 13.005 14.566 ( 3.403 -3.801 5.400) 7.429 14.566 ( 3.403 3.801 5.400) 7.429 15.182 ( -1.871 -7.139 -3.087) 8.000 15.182 ( -1.871 7.139 -3.087) 8.000 16.212 ( 16.318 -15.778 -16.402) 28.004 16.212 ( 16.318 15.778 -16.402) 28.004 ======================= Grid point 125 (64/111) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -2.461 0.000 20.594) 20.740 1.659 ( -5.867 0.000 24.817) 25.501 1.851 ( -8.280 0.000 -10.025) 13.003 2.083 ( 2.492 0.000 -0.640) 2.573 2.322 ( 3.728 0.000 2.889) 4.716 2.687 ( 6.216 0.000 -6.486) 8.984 2.844 ( 9.468 0.000 23.051) 24.920 3.052 ( 5.087 0.000 10.679) 11.828 3.062 ( 4.849 0.000 1.382) 5.042 3.208 ( 9.083 0.000 12.577) 15.513 3.291 ( -4.690 0.000 -1.339) 4.877 3.381 ( -7.444 0.000 1.451) 7.584 3.450 ( 1.038 0.000 -4.151) 4.279 3.535 ( -2.271 0.000 1.367) 2.651 3.635 ( 3.470 0.000 4.069) 5.347 3.662 ( -0.258 0.000 5.487) 5.493 3.810 ( 4.380 0.000 -0.454) 4.404 3.880 ( 2.027 0.000 -8.417) 8.658 3.971 ( 9.718 0.000 -8.643) 13.005 4.079 ( -6.254 0.000 4.295) 7.587 4.256 ( -7.101 0.000 2.562) 7.549 4.441 ( -1.651 0.000 -7.373) 7.555 4.471 ( 2.558 0.000 0.309) 2.576 4.615 ( -0.337 0.000 -1.250) 1.295 4.826 ( -0.560 0.000 -0.426) 0.703 4.937 ( -4.089 0.000 -2.255) 4.669 4.999 ( 1.679 0.000 -10.646) 10.777 5.049 ( 5.806 0.000 -3.417) 6.736 5.051 ( 1.009 0.000 2.644) 2.830 5.239 ( 8.591 0.000 -6.664) 10.873 5.253 ( 9.225 0.000 -5.902) 10.952 5.414 ( -4.064 0.000 -1.959) 4.511 5.505 ( 1.243 0.000 10.669) 10.741 5.513 ( -3.291 0.000 -2.086) 3.896 5.622 ( 5.933 0.000 10.258) 11.851 5.862 ( 7.323 0.000 4.683) 8.692 5.899 ( -7.225 0.000 7.411) 10.350 5.954 ( -2.215 0.000 5.703) 6.118 6.031 ( -4.419 0.000 3.001) 5.342 6.167 ( -1.021 0.000 -2.576) 2.771 6.191 ( -0.273 0.000 2.533) 2.548 6.466 ( -3.796 0.000 13.083) 13.623 6.470 ( -0.284 0.000 -7.124) 7.130 6.721 ( -9.192 0.000 -1.764) 9.360 6.731 ( -4.603 0.000 3.513) 5.791 6.780 ( 12.009 0.000 3.448) 12.494 7.179 ( -0.543 0.000 2.956) 3.005 7.408 ( -1.253 0.000 -6.569) 6.688 7.601 ( -0.196 0.000 -7.856) 7.858 7.679 ( -3.909 0.000 -7.900) 8.814 7.841 ( -2.549 0.000 -7.167) 7.606 7.863 ( -2.322 0.000 -0.413) 2.359 7.927 ( 1.661 0.000 -5.521) 5.765 8.012 ( -4.514 0.000 -1.346) 4.710 8.173 ( -0.738 0.000 2.387) 2.498 8.341 ( 2.560 0.000 -7.419) 7.848 8.420 ( 1.899 0.000 -5.306) 5.635 8.523 ( 4.668 0.000 -6.294) 7.836 8.566 ( 0.033 0.000 -3.312) 3.312 8.627 ( 2.964 0.000 -1.391) 3.275 8.732 ( -6.598 0.000 0.043) 6.598 8.893 ( 0.756 0.000 -1.993) 2.132 9.280 ( -2.787 0.000 3.024) 4.112 9.302 ( -3.730 0.000 -0.174) 3.734 9.729 ( -2.372 0.000 2.512) 3.455 9.826 ( -2.380 0.000 1.789) 2.977 9.889 ( 2.805 0.000 1.953) 3.418 9.890 ( -2.391 0.000 1.451) 2.797 10.130 ( 1.864 0.000 0.349) 1.897 10.232 ( -1.140 0.000 -1.391) 1.799 10.507 ( -1.803 0.000 4.160) 4.534 10.514 ( 2.076 0.000 2.658) 3.372 10.682 ( 1.144 0.000 7.333) 7.422 10.722 ( 7.377 0.000 3.399) 8.122 10.809 ( 2.595 0.000 2.580) 3.659 10.961 ( 0.657 0.000 0.044) 0.658 11.532 ( 4.248 0.000 13.612) 14.259 11.723 ( 2.392 0.000 12.790) 13.012 11.855 ( 3.603 0.000 6.245) 7.210 12.083 ( -5.370 0.000 4.611) 7.078 12.206 ( -5.159 0.000 1.056) 5.266 12.372 ( -5.262 0.000 -7.875) 9.471 12.522 ( 2.204 0.000 -7.747) 8.055 12.621 ( -3.638 0.000 -8.369) 9.125 12.697 ( 2.600 0.000 -2.809) 3.828 12.723 ( -7.756 0.000 -2.380) 8.113 13.537 ( -5.268 0.000 3.004) 6.064 13.641 ( -0.540 0.000 -1.619) 1.706 13.872 ( -4.850 0.000 0.276) 4.858 14.079 ( 2.870 0.000 -5.328) 6.052 14.593 ( -1.401 0.000 5.555) 5.728 14.723 ( -3.957 0.000 5.933) 7.132 15.156 ( -2.489 0.000 6.022) 6.516 15.180 ( 7.107 0.000 3.495) 7.920 15.992 ( 20.969 0.000 -7.621) 22.311 16.185 ( 3.281 0.000 -15.432) 15.777 ======================= Grid point 126 (65/111) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -6.554 0.000 -7.898) 10.263 1.689 ( 5.183 0.000 17.102) 17.870 1.844 ( 4.093 0.000 22.639) 23.006 2.168 ( 5.232 0.000 4.173) 6.693 2.481 ( 10.500 0.000 -0.206) 10.502 2.728 ( 7.015 0.000 -11.991) 13.892 2.952 ( -13.869 0.000 3.017) 14.193 3.016 ( -4.156 0.000 -10.257) 11.067 3.185 ( 9.533 0.000 5.471) 10.991 3.193 ( -2.023 0.000 -3.896) 4.390 3.363 ( -3.026 0.000 -3.091) 4.325 3.450 ( 5.411 0.000 5.500) 7.715 3.529 ( 6.192 0.000 2.103) 6.540 3.575 ( -0.781 0.000 5.131) 5.190 3.673 ( -4.879 0.000 7.030) 8.557 3.755 ( 3.949 0.000 7.468) 8.448 3.839 ( 6.077 0.000 -3.659) 7.094 3.940 ( 4.943 0.000 6.284) 7.995 4.028 ( -4.965 0.000 11.307) 12.349 4.035 ( 3.282 0.000 -7.357) 8.056 4.216 ( 0.870 0.000 -2.653) 2.792 4.316 ( 0.906 0.000 -9.112) 9.157 4.510 ( 1.210 0.000 -0.653) 1.375 4.612 ( -1.060 0.000 1.850) 2.132 4.806 ( -6.494 0.000 -14.352) 15.753 4.818 ( 1.221 0.000 -6.057) 6.179 4.865 ( -1.885 0.000 -0.641) 1.991 5.100 ( 2.078 0.000 2.313) 3.110 5.133 ( 0.739 0.000 -6.209) 6.253 5.221 ( 1.898 0.000 -3.983) 4.413 5.326 ( 2.985 0.000 -6.087) 6.779 5.348 ( -2.053 0.000 -6.549) 6.863 5.561 ( 6.395 0.000 5.031) 8.137 5.576 ( -3.298 0.000 14.696) 15.061 5.687 ( -6.768 0.000 2.017) 7.062 5.809 ( -6.779 0.000 3.353) 7.563 5.946 ( -1.400 0.000 -4.275) 4.498 5.947 ( -6.139 0.000 6.656) 9.055 6.018 ( -8.748 0.000 0.801) 8.785 6.042 ( 2.265 0.000 9.915) 10.171 6.263 ( -0.588 0.000 -0.521) 0.785 6.419 ( 3.000 0.000 1.808) 3.503 6.423 ( -5.037 0.000 2.309) 5.541 6.623 ( -0.169 0.000 -1.008) 1.022 6.841 ( 5.558 0.000 9.912) 11.364 7.020 ( 5.493 0.000 2.648) 6.098 7.183 ( -1.695 0.000 5.635) 5.884 7.239 ( -7.863 0.000 -7.291) 10.723 7.460 ( -7.934 0.000 -6.803) 10.451 7.480 ( -0.795 0.000 -5.796) 5.850 7.799 ( 1.998 0.000 -2.589) 3.271 7.817 ( -1.308 0.000 -3.468) 3.706 7.909 ( -4.869 0.000 -0.220) 4.874 7.935 ( 2.671 0.000 -4.136) 4.923 8.159 ( -1.504 0.000 1.214) 1.932 8.368 ( 5.770 0.000 -6.873) 8.973 8.372 ( -2.354 0.000 -5.577) 6.053 8.482 ( 0.813 0.000 -6.736) 6.784 8.625 ( 2.264 0.000 -1.698) 2.830 8.718 ( 7.761 0.000 1.618) 7.928 8.764 ( 7.525 0.000 -2.553) 7.946 8.926 ( 2.980 0.000 0.875) 3.105 9.264 ( -0.889 0.000 2.522) 2.674 9.270 ( -2.023 0.000 4.748) 5.161 9.690 ( -3.210 0.000 2.664) 4.171 9.760 ( -4.438 0.000 1.483) 4.679 9.884 ( -0.377 0.000 0.790) 0.875 9.951 ( 0.527 0.000 2.821) 2.870 10.146 ( -0.192 0.000 0.210) 0.284 10.201 ( -0.259 0.000 -2.457) 2.471 10.469 ( -4.748 0.000 2.458) 5.346 10.551 ( -1.044 0.000 2.272) 2.500 10.709 ( -0.949 0.000 2.436) 2.615 10.831 ( 2.488 0.000 2.090) 3.249 10.933 ( 5.791 0.000 2.568) 6.335 10.987 ( 2.865 0.000 -3.521) 4.539 11.774 ( 7.165 0.000 15.888) 17.429 11.840 ( -0.915 0.000 2.819) 2.964 11.956 ( 2.779 0.000 6.683) 7.238 11.971 ( -6.158 0.000 1.717) 6.393 12.195 ( 1.254 0.000 7.659) 7.761 12.244 ( -5.381 0.000 -5.670) 7.817 12.454 ( -4.035 0.000 -7.676) 8.672 12.555 ( 6.207 0.000 -6.002) 8.635 12.644 ( 0.272 0.000 0.718) 0.767 12.750 ( 4.365 0.000 0.404) 4.383 13.455 ( -5.514 0.000 3.362) 6.458 13.624 ( -0.812 0.000 0.028) 0.812 13.815 ( -3.243 0.000 2.463) 4.072 14.085 ( 2.374 0.000 -5.084) 5.611 14.585 ( -3.644 0.000 4.307) 5.642 14.643 ( -9.429 0.000 7.997) 12.364 15.110 ( -6.099 0.000 2.790) 6.707 15.333 ( 7.010 0.000 -1.467) 7.161 16.086 ( -0.164 0.000 -13.911) 13.912 16.199 ( 11.206 0.000 -15.742) 19.323 ======================= Grid point 127 (66/111) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.338 0.000 -3.725) 3.740 1.967 ( 10.328 0.000 11.168) 15.211 2.176 ( 10.740 0.000 18.941) 21.774 2.350 ( 8.746 0.000 4.581) 9.873 2.652 ( -0.363 0.000 0.654) 0.748 2.681 ( -15.060 0.000 4.186) 15.631 2.757 ( 5.369 0.000 -11.560) 12.746 2.840 ( 3.196 0.000 -11.006) 11.461 3.138 ( 0.807 0.000 -8.675) 8.712 3.222 ( -8.957 0.000 -1.152) 9.031 3.260 ( -5.484 0.000 -8.743) 10.321 3.487 ( -2.785 0.000 -1.976) 3.415 3.515 ( 6.110 0.000 3.992) 7.298 3.563 ( -2.740 0.000 -2.027) 3.408 3.750 ( 2.378 0.000 2.894) 3.746 3.860 ( 2.797 0.000 -2.258) 3.595 3.962 ( 2.424 0.000 -10.550) 10.825 3.998 ( -0.551 0.000 5.378) 5.406 4.045 ( 7.393 0.000 -5.545) 9.241 4.076 ( 3.063 0.000 3.748) 4.840 4.172 ( -7.865 0.000 7.608) 10.943 4.420 ( 10.197 0.000 -1.912) 10.374 4.473 ( -3.650 0.000 -4.718) 5.965 4.583 ( -3.057 0.000 -0.534) 3.104 4.648 ( 1.640 0.000 -4.786) 5.059 4.750 ( -5.334 0.000 -3.659) 6.468 4.850 ( 0.799 0.000 3.969) 4.049 4.996 ( -3.330 0.000 -8.148) 8.802 5.158 ( 0.978 0.000 2.052) 2.273 5.244 ( -3.310 0.000 -6.124) 6.961 5.284 ( -0.949 0.000 -6.006) 6.081 5.294 ( 3.595 0.000 -1.784) 4.013 5.491 ( -13.180 0.000 1.375) 13.251 5.605 ( -9.703 0.000 11.930) 15.378 5.687 ( 0.811 0.000 1.456) 1.667 5.689 ( 2.113 0.000 -8.478) 8.737 5.785 ( -3.167 0.000 0.663) 3.235 5.911 ( -5.395 0.000 5.528) 7.725 5.911 ( -6.441 0.000 6.944) 9.471 6.163 ( -1.546 0.000 14.241) 14.325 6.228 ( -2.593 0.000 0.917) 2.750 6.444 ( 4.982 0.000 5.484) 7.409 6.518 ( 1.924 0.000 1.314) 2.330 6.667 ( 3.749 0.000 2.455) 4.481 6.819 ( -6.118 0.000 -11.493) 13.020 6.929 ( -8.490 0.000 -3.418) 9.152 7.070 ( -8.553 0.000 1.381) 8.664 7.245 ( 1.915 0.000 0.752) 2.057 7.391 ( 2.612 0.000 -1.082) 2.827 7.567 ( 8.847 0.000 0.018) 8.847 7.760 ( -0.838 0.000 -2.921) 3.039 7.826 ( 3.152 0.000 -4.889) 5.817 7.892 ( 2.531 0.000 7.663) 8.070 7.949 ( 1.451 0.000 -1.674) 2.215 8.159 ( 0.200 0.000 2.205) 2.214 8.301 ( -0.127 0.000 -3.652) 3.654 8.412 ( 4.165 0.000 -7.111) 8.241 8.494 ( 4.693 0.000 -2.240) 5.200 8.615 ( -0.879 0.000 -0.044) 0.881 8.835 ( 4.960 0.000 -6.658) 8.302 8.942 ( 11.730 0.000 -0.613) 11.746 9.007 ( 3.198 0.000 2.811) 4.258 9.272 ( -3.131 0.000 7.755) 8.363 9.299 ( -0.407 0.000 6.531) 6.543 9.673 ( -0.448 0.000 2.494) 2.534 9.695 ( -3.173 0.000 0.172) 3.178 9.866 ( -2.091 0.000 -0.051) 2.092 9.937 ( -4.461 0.000 2.795) 5.264 10.133 ( -1.204 0.000 0.560) 1.328 10.176 ( 0.542 0.000 -4.671) 4.702 10.397 ( -3.987 0.000 2.580) 4.749 10.520 ( -2.941 0.000 1.451) 3.279 10.711 ( -0.103 0.000 -0.158) 0.189 10.874 ( 0.843 0.000 0.000) 0.843 11.008 ( 3.473 0.000 -5.665) 6.645 11.026 ( 1.354 0.000 2.471) 2.818 11.741 ( -4.875 0.000 -5.694) 7.496 11.907 ( -0.367 0.000 0.163) 0.401 12.015 ( -10.565 0.000 -5.403) 11.867 12.079 ( 8.416 0.000 14.012) 16.345 12.112 ( 3.028 0.000 9.664) 10.127 12.288 ( 0.314 0.000 6.522) 6.529 12.382 ( 0.167 0.000 -3.666) 3.670 12.618 ( 4.932 0.000 -4.701) 6.813 12.716 ( 5.509 0.000 1.831) 5.805 12.873 ( 5.583 0.000 3.611) 6.649 13.412 ( -2.186 0.000 5.965) 6.354 13.605 ( -1.948 0.000 1.311) 2.348 13.755 ( -5.876 0.000 3.417) 6.798 14.085 ( 1.939 0.000 -4.810) 5.186 14.531 ( -4.680 0.000 2.544) 5.327 14.532 ( -8.250 0.000 8.118) 11.574 14.983 ( -6.727 0.000 -1.394) 6.870 15.409 ( 4.061 0.000 -6.188) 7.401 15.961 ( -0.826 0.000 -11.695) 11.725 16.194 ( 4.219 0.000 -18.422) 18.899 ======================= Grid point 128 (67/111) ======================= q-point: (-0.62 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 9.814 0.000 0.355) 9.821 2.244 ( 8.213 0.000 6.945) 10.755 2.405 ( -16.685 0.000 1.045) 16.718 2.452 ( -12.688 0.000 6.798) 14.394 2.520 ( 5.905 0.000 15.803) 16.870 2.528 ( 8.296 0.000 -7.470) 11.163 2.740 ( 1.950 0.000 -10.170) 10.355 2.947 ( -11.675 0.000 -12.528) 17.124 2.994 ( 5.822 0.000 -5.578) 8.063 3.029 ( 1.312 0.000 -8.199) 8.303 3.142 ( 2.926 0.000 1.527) 3.301 3.451 ( 0.142 0.000 -4.934) 4.936 3.503 ( 1.752 0.000 -8.019) 8.208 3.670 ( -1.349 0.000 1.668) 2.145 3.716 ( -7.335 0.000 -11.188) 13.378 3.779 ( 8.168 0.000 -1.247) 8.262 3.903 ( -0.940 0.000 -9.981) 10.025 4.016 ( -4.464 0.000 -2.742) 5.239 4.062 ( 0.957 0.000 8.785) 8.837 4.134 ( -5.066 0.000 2.329) 5.576 4.176 ( 5.928 0.000 -0.424) 5.943 4.391 ( 2.945 0.000 -4.149) 5.088 4.462 ( -9.594 0.000 -2.786) 9.990 4.512 ( -4.567 0.000 -2.574) 5.243 4.573 ( -2.861 0.000 -1.800) 3.380 4.721 ( 5.449 0.000 0.215) 5.453 4.927 ( 1.417 0.000 -5.865) 6.033 4.985 ( 6.324 0.000 7.821) 10.058 5.067 ( -7.944 0.000 -4.136) 8.957 5.109 ( -8.499 0.000 0.916) 8.548 5.191 ( -2.784 0.000 1.025) 2.967 5.317 ( 0.659 0.000 -3.426) 3.489 5.375 ( 0.205 0.000 -0.768) 0.795 5.512 ( -6.835 0.000 6.956) 9.752 5.633 ( 0.356 0.000 -0.942) 1.007 5.734 ( -5.456 0.000 6.004) 8.113 5.740 ( -2.239 0.000 -2.653) 3.472 5.853 ( 0.512 0.000 4.952) 4.978 5.962 ( 3.636 0.000 3.637) 5.143 6.168 ( -5.137 0.000 3.182) 6.043 6.245 ( -4.041 0.000 19.219) 19.639 6.490 ( -2.224 0.000 -6.544) 6.912 6.558 ( -3.229 0.000 -11.838) 12.271 6.672 ( 6.000 0.000 5.303) 8.008 6.738 ( -0.197 0.000 -2.530) 2.538 6.808 ( -0.240 0.000 4.921) 4.926 6.923 ( -5.876 0.000 -1.227) 6.003 7.251 ( 0.128 0.000 -3.474) 3.476 7.398 ( 2.557 0.000 -6.820) 7.284 7.619 ( 1.124 0.000 -10.035) 10.098 7.825 ( 6.302 0.000 1.738) 6.537 7.872 ( 4.210 0.000 -2.144) 4.724 7.970 ( 0.951 0.000 1.743) 1.986 8.031 ( 1.848 0.000 5.700) 5.993 8.222 ( 2.882 0.000 3.670) 4.666 8.332 ( 4.973 0.000 2.282) 5.472 8.412 ( 1.397 0.000 -5.449) 5.625 8.585 ( 4.583 0.000 -0.540) 4.615 8.610 ( 0.633 0.000 0.854) 1.063 8.875 ( 5.779 0.000 -7.464) 9.440 9.111 ( 6.080 0.000 -2.491) 6.571 9.113 ( 3.809 0.000 7.120) 8.075 9.307 ( -0.969 0.000 11.722) 11.762 9.339 ( -0.974 0.000 6.984) 7.052 9.636 ( -2.678 0.000 0.586) 2.741 9.707 ( 0.669 0.000 2.953) 3.028 9.816 ( -2.120 0.000 -0.150) 2.125 9.841 ( -6.615 0.000 1.929) 6.890 10.118 ( -1.166 0.000 1.310) 1.754 10.134 ( -0.007 0.000 -6.669) 6.669 10.367 ( -1.923 0.000 2.297) 2.996 10.485 ( -2.080 0.000 1.963) 2.860 10.689 ( -0.688 0.000 -4.010) 4.069 10.846 ( -1.922 0.000 -5.082) 5.434 11.029 ( 3.288 0.000 -4.288) 5.404 11.050 ( -1.256 0.000 4.915) 5.073 11.591 ( -5.974 0.000 -4.586) 7.531 11.695 ( -11.827 0.000 -8.520) 14.577 11.995 ( 5.121 0.000 -1.236) 5.268 12.115 ( -6.567 0.000 -0.280) 6.573 12.338 ( 4.614 0.000 10.364) 11.344 12.375 ( 2.068 0.000 2.518) 3.258 12.379 ( 2.412 0.000 9.406) 9.710 12.666 ( 3.001 0.000 -3.000) 4.243 12.871 ( 8.049 0.000 2.428) 8.408 12.979 ( 1.299 0.000 3.285) 3.533 13.476 ( 1.389 0.000 9.248) 9.351 13.559 ( -6.216 0.000 6.464) 8.968 13.674 ( -3.903 0.000 3.015) 4.932 14.077 ( 1.709 0.000 -5.190) 5.464 14.456 ( -4.187 0.000 0.451) 4.211 14.473 ( -4.538 0.000 6.227) 7.706 14.865 ( -2.562 0.000 -2.975) 3.926 15.382 ( 0.165 0.000 -9.631) 9.633 15.878 ( 2.176 0.000 -9.571) 9.816 16.073 ( 0.422 0.000 -19.531) 19.535 ======================= Grid point 129 (68/111) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 11.370 0.000 -1.407) 11.457 2.056 ( -19.828 0.000 5.645) 20.616 2.295 ( -3.658 0.000 -8.776) 9.508 2.303 ( -10.313 0.000 3.727) 10.966 2.367 ( -16.513 0.000 6.237) 17.652 2.658 ( 11.488 0.000 -5.283) 12.645 2.732 ( -6.824 0.000 2.311) 7.205 2.868 ( -8.127 0.000 -4.201) 9.149 2.895 ( 15.590 0.000 -9.890) 18.462 3.030 ( 2.392 0.000 -9.000) 9.313 3.272 ( -8.912 0.000 -6.342) 10.939 3.372 ( 11.131 0.000 4.417) 11.975 3.453 ( -1.382 0.000 -6.675) 6.817 3.598 ( -5.795 0.000 -1.807) 6.070 3.670 ( 7.253 0.000 -2.197) 7.578 3.704 ( -5.092 0.000 -7.439) 9.015 3.800 ( -11.928 0.000 -0.590) 11.942 4.032 ( 10.044 0.000 -4.821) 11.141 4.121 ( 2.015 0.000 1.626) 2.590 4.134 ( -13.565 0.000 8.700) 16.115 4.187 ( 4.892 0.000 4.003) 6.321 4.329 ( -4.031 0.000 -1.100) 4.178 4.375 ( 6.442 0.000 -4.858) 8.068 4.415 ( 1.147 0.000 -3.737) 3.909 4.552 ( 1.849 0.000 -7.142) 7.378 4.789 ( -0.094 0.000 -2.080) 2.082 4.901 ( -0.667 0.000 1.700) 1.827 4.953 ( -7.537 0.000 1.422) 7.670 4.992 ( 2.917 0.000 -1.353) 3.215 5.134 ( -1.494 0.000 4.321) 4.572 5.211 ( 2.920 0.000 7.476) 8.027 5.277 ( -1.082 0.000 -3.412) 3.579 5.340 ( -3.183 0.000 -3.894) 5.030 5.461 ( -5.780 0.000 8.279) 10.097 5.616 ( -1.955 0.000 0.541) 2.029 5.662 ( -2.541 0.000 5.260) 5.842 5.741 ( 3.633 0.000 -1.734) 4.025 5.967 ( 3.195 0.000 6.253) 7.022 6.044 ( 2.259 0.000 1.253) 2.584 6.098 ( -3.703 0.000 1.855) 4.142 6.317 ( -7.489 0.000 17.162) 18.725 6.375 ( -0.255 0.000 -10.495) 10.498 6.413 ( 0.947 0.000 -5.975) 6.049 6.708 ( -0.250 0.000 -0.938) 0.971 6.834 ( -2.524 0.000 1.636) 3.008 6.852 ( 8.066 0.000 -1.858) 8.277 6.890 ( 2.951 0.000 3.541) 4.610 7.204 ( -1.140 0.000 -4.167) 4.320 7.427 ( 7.280 0.000 -8.222) 10.982 7.533 ( 0.359 0.000 -11.964) 11.969 7.904 ( 2.213 0.000 -3.028) 3.750 7.933 ( 2.714 0.000 -0.131) 2.717 8.023 ( 2.051 0.000 1.976) 2.848 8.067 ( -0.360 0.000 2.655) 2.680 8.275 ( 0.993 0.000 0.701) 1.216 8.379 ( -0.466 0.000 -3.478) 3.509 8.453 ( 2.945 0.000 1.523) 3.316 8.635 ( 2.198 0.000 -3.134) 3.828 8.683 ( 4.674 0.000 2.677) 5.387 8.940 ( 6.127 0.000 -4.943) 7.873 9.160 ( 0.732 0.000 2.622) 2.722 9.226 ( -1.209 0.000 8.181) 8.269 9.412 ( 0.519 0.000 11.445) 11.457 9.438 ( 5.766 0.000 8.316) 10.119 9.651 ( 2.605 0.000 4.458) 5.164 9.671 ( -7.766 0.000 5.305) 9.405 9.791 ( 1.066 0.000 -0.452) 1.158 9.795 ( -0.040 0.000 -0.308) 0.311 10.052 ( -1.743 0.000 -9.254) 9.416 10.106 ( -0.865 0.000 -0.215) 0.891 10.323 ( -3.978 0.000 -1.018) 4.106 10.467 ( -2.012 0.000 2.283) 3.043 10.602 ( -2.951 0.000 -7.612) 8.164 10.726 ( -3.637 0.000 -7.888) 8.686 11.066 ( -3.057 0.000 6.992) 7.631 11.073 ( 2.439 0.000 1.789) 3.025 11.417 ( -9.590 0.000 -5.220) 10.918 11.442 ( -5.930 0.000 -1.984) 6.253 11.959 ( -6.962 0.000 -1.798) 7.190 12.049 ( 2.542 0.000 -5.361) 5.933 12.432 ( 4.151 0.000 6.576) 7.777 12.483 ( 0.271 0.000 6.985) 6.990 12.533 ( 4.100 0.000 6.684) 7.842 12.675 ( 1.117 0.000 -3.774) 3.935 12.967 ( -4.646 0.000 2.195) 5.139 13.039 ( 6.535 0.000 1.243) 6.652 13.526 ( -4.362 0.000 13.926) 14.593 13.583 ( 0.586 0.000 9.456) 9.474 13.671 ( 0.757 0.000 3.857) 3.931 14.065 ( 1.919 0.000 -5.831) 6.139 14.394 ( -1.341 0.000 -1.034) 1.693 14.441 ( -3.166 0.000 2.608) 4.102 14.847 ( 1.919 0.000 -0.321) 1.946 15.259 ( -3.414 0.000 -11.273) 11.779 15.886 ( -2.520 0.000 -19.297) 19.461 15.896 ( 7.536 0.000 -8.539) 11.389 ======================= Grid point 130 (69/111) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -17.730 0.000 1.571) 17.800 1.748 ( -18.626 0.000 10.651) 21.457 2.108 ( -4.014 0.000 -11.064) 11.769 2.261 ( 1.497 0.000 5.379) 5.584 2.386 ( 9.659 0.000 4.672) 10.729 2.565 ( -14.749 0.000 9.413) 17.497 2.598 ( -9.677 0.000 -4.813) 10.808 2.771 ( -5.589 0.000 1.508) 5.789 3.040 ( 4.704 0.000 -1.619) 4.975 3.107 ( 9.350 0.000 -7.603) 12.051 3.124 ( -1.214 0.000 -2.192) 2.506 3.269 ( -11.811 0.000 -0.829) 11.840 3.414 ( -3.150 0.000 -5.329) 6.190 3.500 ( -2.664 0.000 4.717) 5.417 3.668 ( 3.080 0.000 -5.054) 5.918 3.696 ( 3.413 0.000 -2.982) 4.533 3.845 ( 10.959 0.000 -3.663) 11.555 3.900 ( -7.225 0.000 2.703) 7.714 4.050 ( -9.261 0.000 -2.852) 9.691 4.176 ( 3.310 0.000 -1.313) 3.561 4.279 ( -0.965 0.000 0.950) 1.354 4.415 ( 9.821 0.000 2.076) 10.038 4.432 ( 5.914 0.000 0.875) 5.978 4.540 ( 10.256 0.000 -4.597) 11.239 4.569 ( 8.355 0.000 -5.554) 10.033 4.771 ( 0.556 0.000 1.675) 1.765 4.826 ( -6.090 0.000 0.310) 6.097 4.858 ( -8.376 0.000 6.488) 10.595 5.068 ( -6.142 0.000 1.300) 6.278 5.075 ( 6.027 0.000 -6.346) 8.752 5.196 ( -6.343 0.000 -4.010) 7.505 5.263 ( 3.350 0.000 -0.748) 3.433 5.332 ( 0.563 0.000 9.170) 9.187 5.426 ( -6.721 0.000 12.749) 14.412 5.596 ( 0.225 0.000 -2.570) 2.580 5.728 ( 3.187 0.000 4.100) 5.193 5.805 ( 4.273 0.000 -1.332) 4.476 6.014 ( -4.206 0.000 1.015) 4.327 6.050 ( 0.311 0.000 5.072) 5.081 6.122 ( 3.717 0.000 -0.795) 3.801 6.250 ( -6.564 0.000 6.366) 9.144 6.344 ( 5.913 0.000 -9.139) 10.886 6.465 ( 0.742 0.000 4.272) 4.336 6.697 ( -0.803 0.000 -0.801) 1.134 6.836 ( 0.567 0.000 3.422) 3.468 6.977 ( 3.760 0.000 2.099) 4.307 6.993 ( 9.421 0.000 -3.077) 9.911 7.153 ( -0.699 0.000 -2.709) 2.798 7.439 ( 1.100 0.000 -12.581) 12.629 7.517 ( 8.697 0.000 -8.833) 12.396 7.891 ( 0.270 0.000 -4.271) 4.280 7.966 ( -0.019 0.000 1.512) 1.512 8.049 ( -0.013 0.000 -0.467) 0.467 8.081 ( 0.626 0.000 -0.187) 0.654 8.288 ( 0.163 0.000 1.001) 1.014 8.353 ( 0.254 0.000 -1.645) 1.664 8.488 ( 1.516 0.000 -1.861) 2.400 8.625 ( 0.729 0.000 -5.358) 5.407 8.758 ( 1.002 0.000 0.143) 1.013 9.006 ( 4.444 0.000 -5.134) 6.790 9.183 ( -8.308 0.000 2.369) 8.640 9.222 ( 1.349 0.000 5.921) 6.073 9.506 ( -0.720 0.000 8.214) 8.245 9.511 ( -6.210 0.000 4.815) 7.858 9.740 ( 8.589 0.000 10.387) 13.478 9.748 ( 0.557 0.000 2.259) 2.327 9.818 ( 2.107 0.000 1.720) 2.720 9.820 ( 3.471 0.000 1.970) 3.991 9.909 ( -3.439 0.000 -10.487) 11.036 10.047 ( -1.723 0.000 -7.991) 8.175 10.232 ( -3.015 0.000 2.705) 4.050 10.426 ( -3.387 0.000 -0.408) 3.411 10.493 ( -2.676 0.000 -1.985) 3.332 10.611 ( -2.954 0.000 -3.259) 4.398 11.002 ( -8.287 0.000 3.339) 8.934 11.125 ( -1.838 0.000 5.098) 5.419 11.288 ( -2.767 0.000 3.318) 4.321 11.360 ( -1.304 0.000 2.186) 2.546 11.838 ( -4.284 0.000 -0.859) 4.369 12.029 ( -0.105 0.000 -2.272) 2.275 12.491 ( -3.711 0.000 2.794) 4.645 12.593 ( 5.643 0.000 5.218) 7.686 12.644 ( 4.482 0.000 1.217) 4.644 12.666 ( 1.654 0.000 -3.790) 4.135 12.862 ( -6.954 0.000 1.267) 7.068 13.106 ( 0.146 0.000 -1.080) 1.089 13.621 ( 2.115 0.000 7.937) 8.214 13.643 ( -1.707 0.000 6.916) 7.123 13.831 ( 9.397 0.000 16.166) 18.698 14.052 ( 2.242 0.000 -6.369) 6.752 14.375 ( -4.131 0.000 -2.351) 4.753 14.399 ( 1.827 0.000 0.953) 2.060 14.916 ( 3.401 0.000 3.202) 4.671 15.076 ( -5.197 0.000 -10.661) 11.860 15.655 ( -5.910 0.000 -14.393) 15.559 16.008 ( 11.380 0.000 -9.783) 15.007 ======================= Grid point 131 (70/111) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -10.779 0.000 23.078) 25.472 1.531 ( -15.209 0.000 16.151) 22.185 2.015 ( 2.784 0.000 -7.678) 8.167 2.269 ( -4.447 0.000 -3.933) 5.937 2.398 ( -9.985 0.000 17.857) 20.460 2.453 ( -7.477 0.000 9.323) 11.951 2.595 ( -11.242 0.000 8.303) 13.976 2.646 ( 11.319 0.000 -1.107) 11.373 2.859 ( -17.583 0.000 9.248) 19.867 3.054 ( 1.762 0.000 -4.031) 4.400 3.234 ( 8.709 0.000 -0.174) 8.710 3.354 ( 0.402 0.000 -3.058) 3.084 3.425 ( 18.166 0.000 -9.071) 20.305 3.507 ( -0.613 0.000 6.125) 6.155 3.667 ( 1.064 0.000 -5.574) 5.674 3.731 ( 1.255 0.000 -4.121) 4.308 3.834 ( -3.150 0.000 -1.410) 3.451 3.847 ( -8.399 0.000 2.144) 8.668 3.921 ( 0.039 0.000 -4.444) 4.444 4.168 ( 1.566 0.000 -10.275) 10.394 4.309 ( 3.660 0.000 3.634) 5.158 4.503 ( 0.127 0.000 0.124) 0.178 4.624 ( 10.147 0.000 1.389) 10.241 4.693 ( -14.049 0.000 10.455) 17.512 4.710 ( 5.588 0.000 -5.237) 7.659 4.756 ( 2.719 0.000 2.774) 3.884 4.770 ( 14.056 0.000 -3.543) 14.496 4.864 ( 6.091 0.000 3.278) 6.917 4.984 ( -2.351 0.000 1.568) 2.826 5.050 ( -4.639 0.000 -3.143) 5.603 5.095 ( 3.846 0.000 -8.683) 9.496 5.375 ( -7.514 0.000 12.361) 14.465 5.399 ( 9.408 0.000 -0.443) 9.419 5.429 ( -0.735 0.000 8.358) 8.390 5.558 ( 0.396 0.000 -6.786) 6.798 5.811 ( 0.320 0.000 7.133) 7.140 5.835 ( -2.811 0.000 -1.705) 3.287 5.986 ( 2.441 0.000 1.993) 3.151 6.067 ( -2.418 0.000 3.817) 4.518 6.186 ( -5.795 0.000 5.736) 8.154 6.196 ( 4.914 0.000 -1.606) 5.170 6.421 ( 7.877 0.000 -6.068) 9.943 6.473 ( -3.135 0.000 3.959) 5.050 6.642 ( -3.328 0.000 -2.860) 4.388 6.870 ( -1.824 0.000 4.886) 5.215 7.038 ( -1.719 0.000 2.373) 2.930 7.147 ( 2.160 0.000 -2.403) 3.231 7.195 ( 13.556 0.000 -3.349) 13.964 7.404 ( 6.998 0.000 -9.577) 11.861 7.599 ( 7.300 0.000 -7.645) 10.571 7.863 ( 1.703 0.000 -5.424) 5.685 7.962 ( -0.999 0.000 0.187) 1.016 8.026 ( -1.974 0.000 0.327) 2.001 8.079 ( 0.188 0.000 -2.295) 2.302 8.302 ( 0.031 0.000 -0.021) 0.038 8.363 ( 2.280 0.000 -1.646) 2.812 8.482 ( 0.193 0.000 -3.507) 3.513 8.570 ( -1.017 0.000 -7.865) 7.931 8.735 ( -2.697 0.000 -0.749) 2.799 8.948 ( -13.592 0.000 -0.704) 13.611 9.010 ( 0.827 0.000 -8.844) 8.883 9.236 ( -5.534 0.000 -2.101) 5.919 9.423 ( -8.088 0.000 -2.040) 8.341 9.448 ( -4.061 0.000 3.430) 5.316 9.755 ( -2.253 0.000 -4.622) 5.142 9.756 ( 1.614 0.000 1.392) 2.132 9.832 ( 1.097 0.000 -1.140) 1.582 9.927 ( 4.567 0.000 3.923) 6.021 9.996 ( -0.304 0.000 -1.344) 1.378 10.094 ( 11.496 0.000 12.422) 16.926 10.291 ( 3.733 0.000 8.132) 8.948 10.366 ( -2.403 0.000 2.391) 3.389 10.454 ( -1.556 0.000 1.549) 2.195 10.551 ( -2.079 0.000 0.435) 2.124 10.862 ( -6.585 0.000 0.899) 6.647 11.072 ( -5.551 0.000 2.278) 6.000 11.309 ( -1.070 0.000 8.193) 8.263 11.429 ( 1.980 0.000 9.286) 9.495 11.775 ( -1.813 0.000 0.040) 1.813 12.031 ( 0.025 0.000 3.191) 3.191 12.412 ( -5.627 0.000 1.431) 5.806 12.662 ( 1.194 0.000 -5.298) 5.431 12.683 ( 0.987 0.000 -1.677) 1.946 12.729 ( 4.360 0.000 -3.074) 5.335 12.742 ( -5.135 0.000 -0.425) 5.153 13.045 ( -4.134 0.000 -3.101) 5.168 13.641 ( -3.280 0.000 4.440) 5.521 13.702 ( 1.269 0.000 1.983) 2.354 14.050 ( 3.063 0.000 -6.084) 6.812 14.193 ( 1.056 0.000 -7.195) 7.272 14.333 ( 13.621 0.000 15.756) 20.827 14.467 ( 2.511 0.000 3.997) 4.720 14.913 ( -2.227 0.000 -6.119) 6.512 15.018 ( 2.860 0.000 5.765) 6.435 15.465 ( -4.964 0.000 0.015) 4.964 16.139 ( 11.288 0.000 -12.690) 16.984 ======================= Grid point 132 (71/111) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -9.751 0.000 20.079) 22.322 1.593 ( -7.778 0.000 27.060) 28.156 2.044 ( 6.158 0.000 -8.671) 10.636 2.091 ( -7.411 0.000 -8.467) 11.252 2.330 ( -10.515 0.000 10.393) 14.784 2.459 ( -2.173 0.000 29.129) 29.210 2.679 ( 0.159 0.000 0.476) 0.502 2.730 ( 8.027 0.000 23.669) 24.993 2.880 ( 6.337 0.000 3.233) 7.114 3.078 ( 4.184 0.000 -4.069) 5.836 3.360 ( 0.739 0.000 -1.077) 1.306 3.384 ( 6.407 0.000 -0.649) 6.440 3.546 ( -2.568 0.000 5.817) 6.358 3.595 ( -3.547 0.000 -0.975) 3.679 3.625 ( -6.370 0.000 -4.251) 7.658 3.648 ( 1.964 0.000 -1.515) 2.480 3.741 ( 5.414 0.000 -5.150) 7.473 3.843 ( 4.080 0.000 -0.572) 4.120 3.886 ( 2.137 0.000 -5.290) 5.705 4.126 ( 2.007 0.000 -8.117) 8.361 4.397 ( 1.411 0.000 1.829) 2.310 4.466 ( -14.172 0.000 8.286) 16.416 4.483 ( 0.725 0.000 -4.384) 4.444 4.656 ( -2.103 0.000 -2.508) 3.272 4.857 ( 10.403 0.000 0.441) 10.413 4.867 ( -2.569 0.000 2.362) 3.489 4.985 ( 4.672 0.000 -5.365) 7.114 5.001 ( 1.842 0.000 5.143) 5.463 5.040 ( 6.579 0.000 4.328) 7.875 5.070 ( 13.468 0.000 -2.611) 13.719 5.093 ( 6.758 0.000 -13.299) 14.918 5.337 ( 0.879 0.000 4.187) 4.278 5.498 ( 2.724 0.000 -9.770) 10.142 5.498 ( -2.790 0.000 15.062) 15.318 5.587 ( 2.330 0.000 3.623) 4.307 5.721 ( -1.602 0.000 -2.364) 2.855 5.871 ( -1.353 0.000 9.606) 9.701 6.030 ( -4.077 0.000 2.257) 4.660 6.083 ( 2.789 0.000 5.017) 5.740 6.105 ( -6.922 0.000 4.424) 8.215 6.255 ( 1.922 0.000 -3.879) 4.329 6.443 ( -5.649 0.000 11.337) 12.666 6.519 ( 1.690 0.000 -4.531) 4.836 6.571 ( 5.447 0.000 -2.235) 5.888 6.831 ( -5.112 0.000 1.664) 5.376 6.932 ( -9.000 0.000 -1.139) 9.072 7.161 ( 1.293 0.000 -1.201) 1.764 7.388 ( 7.976 0.000 -4.510) 9.163 7.540 ( 10.178 0.000 -5.019) 11.348 7.689 ( 6.964 0.000 -5.284) 8.741 7.876 ( 3.767 0.000 -5.389) 6.575 7.929 ( 0.031 0.000 -5.946) 5.946 7.980 ( -3.540 0.000 0.854) 3.642 8.058 ( -0.859 0.000 -0.049) 0.861 8.242 ( -5.370 0.000 -2.063) 5.753 8.412 ( 3.456 0.000 -5.480) 6.479 8.443 ( -1.729 0.000 -7.096) 7.303 8.452 ( 0.301 0.000 -4.101) 4.112 8.647 ( -4.187 0.000 -3.365) 5.371 8.714 ( -7.301 0.000 -2.415) 7.690 8.936 ( -0.997 0.000 -6.656) 6.730 8.955 ( -13.758 0.000 -5.264) 14.731 9.327 ( -4.118 0.000 2.227) 4.681 9.386 ( -4.422 0.000 0.747) 4.485 9.725 ( 0.480 0.000 0.559) 0.736 9.807 ( 1.793 0.000 1.393) 2.271 9.846 ( 0.669 0.000 0.438) 0.800 9.954 ( -4.185 0.000 1.730) 4.528 10.055 ( 5.128 0.000 1.533) 5.352 10.258 ( 0.427 0.000 -1.372) 1.437 10.453 ( 2.689 0.000 1.650) 3.155 10.457 ( 3.602 0.000 7.427) 8.255 10.504 ( 5.042 0.000 15.109) 15.928 10.557 ( 3.198 0.000 2.702) 4.187 10.788 ( -1.927 0.000 1.355) 2.356 10.989 ( -4.045 0.000 1.463) 4.301 11.383 ( 0.642 0.000 10.767) 10.786 11.566 ( 1.966 0.000 13.289) 13.434 11.772 ( 0.933 0.000 1.885) 2.103 12.076 ( -0.110 0.000 6.081) 6.082 12.309 ( -6.149 0.000 1.563) 6.345 12.583 ( -6.322 0.000 -8.533) 10.620 12.593 ( -1.767 0.000 -7.495) 7.700 12.689 ( 0.726 0.000 -2.953) 3.041 12.730 ( -0.420 0.000 -6.580) 6.593 12.906 ( -6.917 0.000 -3.957) 7.969 13.601 ( -4.147 0.000 3.380) 5.350 13.685 ( -1.920 0.000 -2.349) 3.034 14.015 ( -6.909 0.000 -6.421) 9.432 14.064 ( 3.314 0.000 -5.489) 6.412 14.547 ( 1.079 0.000 5.593) 5.696 14.675 ( 5.420 0.000 3.527) 6.467 15.000 ( 8.996 0.000 4.386) 10.008 15.112 ( 0.899 0.000 6.919) 6.977 15.583 ( 15.427 0.000 7.381) 17.102 16.209 ( 7.864 0.000 -15.104) 17.029 ======================= Grid point 133 (72/111) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -2.503 3.302 18.630) 19.085 1.738 ( -5.714 6.336 21.358) 22.999 1.787 ( -6.021 -5.432 -2.780) 8.573 2.060 ( -2.571 -4.459 7.714) 9.273 2.286 ( 8.714 1.061 -4.074) 9.677 2.633 ( 3.673 -6.291 -5.658) 9.224 2.885 ( 5.996 3.632 14.355) 15.975 3.028 ( 5.446 0.257 13.317) 14.390 3.174 ( 8.484 -0.899 1.296) 8.629 3.228 ( 5.342 7.982 5.123) 10.885 3.265 ( -2.851 -2.596 2.633) 4.669 3.362 ( -3.616 -0.596 0.637) 3.719 3.375 ( 2.890 -2.425 -4.636) 5.977 3.566 ( -1.113 -0.644 -0.140) 1.293 3.645 ( 1.597 1.175 1.686) 2.602 3.696 ( -1.199 2.908 7.667) 8.288 3.838 ( 3.674 1.758 -1.184) 4.241 3.888 ( 3.208 1.761 -4.170) 5.548 4.055 ( 4.397 5.097 -8.727) 11.022 4.135 ( -3.794 3.521 4.959) 7.169 4.262 ( -4.474 1.739 3.211) 5.775 4.438 ( 3.346 -1.370 -4.684) 5.917 4.512 ( -2.455 2.985 2.430) 4.565 4.610 ( -1.347 0.672 -1.824) 2.365 4.741 ( -2.506 -9.174 1.504) 9.628 4.846 ( -1.293 -0.894 -5.073) 5.312 4.926 ( 1.006 -6.775 -1.461) 7.004 5.026 ( 7.152 -3.817 -4.717) 9.379 5.059 ( 0.864 0.665 0.729) 1.311 5.163 ( 4.965 -6.558 -3.817) 9.068 5.262 ( 7.354 0.382 -4.907) 8.849 5.325 ( 5.475 -3.624 -3.964) 7.670 5.511 ( -8.272 3.902 4.153) 10.045 5.588 ( -5.596 2.870 9.869) 11.702 5.746 ( 7.175 5.018 0.789) 8.791 5.824 ( 4.368 -1.413 3.161) 5.574 5.941 ( -3.713 1.259 4.220) 5.760 5.961 ( 1.961 2.818 5.276) 6.294 5.999 ( -4.001 -1.815 3.256) 5.468 6.150 ( -2.504 -2.242 -3.370) 4.760 6.294 ( 0.831 7.260 7.531) 10.494 6.393 ( -0.028 -1.357 4.652) 4.846 6.552 ( -6.661 0.296 -2.851) 7.252 6.686 ( -9.020 -3.353 -0.426) 9.633 6.689 ( 2.629 2.503 3.063) 4.750 6.849 ( 6.449 1.748 2.473) 7.125 7.132 ( -0.975 -2.588 1.456) 3.125 7.320 ( -0.724 -7.447 -5.979) 9.577 7.595 ( -1.581 0.081 -5.843) 6.054 7.662 ( -4.134 -2.119 -8.526) 9.710 7.778 ( 1.759 -1.337 -4.679) 5.174 7.867 ( 1.530 -2.081 -5.757) 6.310 7.924 ( -3.225 -0.082 -1.733) 3.662 7.983 ( -4.218 -1.895 -1.910) 5.003 8.230 ( -1.345 3.692 1.489) 4.202 8.299 ( -0.634 -1.393 -3.509) 3.828 8.477 ( 2.398 2.954 -7.954) 8.817 8.552 ( 2.273 1.497 -8.370) 8.801 8.590 ( -1.969 1.434 -3.728) 4.453 8.649 ( 0.043 -0.886 -1.505) 1.747 8.754 ( 1.093 5.926 1.465) 6.201 8.973 ( 1.595 5.191 -2.819) 6.119 9.231 ( -0.909 -4.579 4.293) 6.342 9.277 ( -4.830 -2.410 1.324) 5.558 9.673 ( -2.517 -1.506 2.477) 3.839 9.816 ( -2.734 -2.605 1.859) 4.209 9.846 ( 0.109 -1.482 -0.544) 1.582 9.879 ( 0.903 -1.605 0.829) 2.020 10.190 ( 1.316 4.260 1.417) 4.678 10.272 ( -1.231 2.988 -0.877) 3.349 10.421 ( 2.046 -5.579 2.983) 6.649 10.467 ( -0.563 -3.461 2.223) 4.152 10.738 ( 3.181 4.227 6.892) 8.688 10.783 ( 7.421 1.379 3.649) 8.384 10.889 ( -2.613 8.476 1.652) 9.023 11.057 ( 0.184 6.992 1.192) 7.095 11.510 ( 5.078 -1.631 13.868) 14.858 11.645 ( -0.064 -6.757 13.678) 15.256 11.897 ( 3.282 2.855 7.896) 9.015 12.052 ( -1.661 1.087 -1.141) 2.289 12.179 ( -1.846 -2.734 3.700) 4.957 12.347 ( -1.496 -5.318 -3.690) 6.643 12.528 ( -4.030 2.977 -9.870) 11.069 12.594 ( 1.146 -0.983 -6.202) 6.383 12.705 ( -7.796 0.633 -1.156) 7.907 12.849 ( -0.465 9.022 -5.507) 10.580 13.177 ( -5.160 -23.465 3.018) 24.214 13.355 ( -1.123 -15.082 -3.914) 15.622 14.039 ( -5.107 13.248 6.909) 15.790 14.365 ( 1.022 5.720 -0.015) 5.810 14.648 ( -0.833 6.741 1.939) 7.064 14.741 ( -2.517 1.362 5.525) 6.222 15.178 ( -1.702 2.193 3.614) 4.557 15.202 ( 7.181 1.903 1.862) 7.659 15.985 ( 17.439 0.050 -9.479) 19.849 16.134 ( 4.198 -4.441 -15.484) 16.646 ======================= Grid point 134 (73/111) ======================= q-point: ( 0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -2.870 0.885 0.829) 3.116 1.705 ( 1.551 0.282 11.988) 12.091 1.896 ( 4.006 4.701 19.802) 20.743 2.150 ( 4.019 -2.713 8.917) 10.150 2.450 ( 11.201 -0.716 -3.457) 11.744 2.669 ( 6.855 -5.606 -9.836) 13.235 2.958 ( -7.171 -1.338 -4.379) 8.508 2.994 ( -9.508 -3.103 0.571) 10.018 3.095 ( -1.703 1.610 -2.014) 3.090 3.220 ( 1.188 -0.357 -7.316) 7.420 3.388 ( 2.298 1.616 1.842) 3.359 3.517 ( 11.138 2.023 5.630) 12.643 3.541 ( 1.799 -0.600 3.023) 3.568 3.603 ( -1.644 0.414 -0.712) 1.839 3.673 ( 2.041 4.195 5.849) 7.481 3.753 ( 6.950 -1.833 -0.897) 7.243 3.872 ( -0.623 3.450 2.191) 4.134 3.945 ( 0.317 -1.441 -4.603) 4.833 4.008 ( 2.952 5.470 9.439) 11.301 4.169 ( -1.415 6.250 5.839) 8.669 4.250 ( 1.006 2.602 -1.150) 3.017 4.394 ( 0.824 6.667 -6.927) 9.649 4.503 ( -0.573 -2.379 1.440) 2.839 4.586 ( 0.015 -1.432 -1.867) 2.352 4.663 ( -5.463 -6.319 -1.823) 8.550 4.755 ( 0.275 -5.673 -5.374) 7.819 4.949 ( 0.367 3.220 -5.588) 6.460 5.057 ( -0.023 -3.186 -0.342) 3.205 5.137 ( 5.357 -1.811 -2.453) 6.164 5.188 ( 2.687 -6.691 -5.439) 9.031 5.269 ( -0.932 3.828 -4.248) 5.793 5.371 ( 1.674 0.292 -5.785) 6.029 5.482 ( 1.172 -4.551 7.844) 9.144 5.557 ( -8.391 -3.453 13.810) 16.525 5.750 ( -6.004 4.200 -1.707) 7.523 5.833 ( -4.316 1.332 -0.265) 4.525 5.920 ( -4.349 0.122 1.418) 4.576 5.973 ( -3.291 0.802 2.115) 3.993 6.008 ( -2.786 1.154 4.705) 5.588 6.105 ( 0.103 1.894 3.268) 3.778 6.269 ( -2.135 -0.097 2.977) 3.664 6.363 ( -6.323 -0.341 -2.394) 6.769 6.515 ( 3.241 2.870 2.895) 5.208 6.591 ( 2.442 -0.484 2.017) 3.204 6.854 ( 4.108 0.516 6.983) 8.118 7.011 ( 3.696 -2.002 1.175) 4.365 7.092 ( -3.852 -4.046 1.311) 5.738 7.222 ( -4.491 -3.416 -3.260) 6.516 7.440 ( -4.947 -0.150 -5.361) 7.296 7.490 ( -1.620 -0.022 -4.220) 4.520 7.777 ( 2.129 -1.334 -4.400) 5.067 7.813 ( -2.358 -1.133 -3.411) 4.299 7.892 ( -2.147 -1.001 -0.470) 2.415 7.915 ( 0.775 -1.173 -1.622) 2.147 8.193 ( -2.491 1.998 0.028) 3.194 8.250 ( -1.515 -3.104 -4.393) 5.588 8.481 ( 4.349 3.223 -7.658) 9.378 8.507 ( 1.437 2.048 -6.535) 6.998 8.624 ( 4.559 -0.104 -1.357) 4.758 8.679 ( 2.982 -2.143 2.481) 4.432 8.862 ( 7.968 6.470 -2.357) 10.532 9.000 ( 2.679 5.653 -1.410) 6.413 9.218 ( -2.146 -2.765 3.425) 4.897 9.292 ( 2.133 -0.391 4.948) 5.403 9.633 ( -3.912 -2.325 3.269) 5.603 9.767 ( -3.281 -0.586 1.245) 3.558 9.831 ( -1.378 -3.200 0.196) 3.489 9.908 ( 0.261 -3.128 0.958) 3.281 10.206 ( -0.811 4.333 1.336) 4.606 10.237 ( -0.917 2.999 -1.798) 3.615 10.420 ( -3.354 -3.445 1.347) 4.993 10.480 ( -0.365 -5.239 1.745) 5.534 10.834 ( 0.660 6.289 5.955) 8.686 10.854 ( -0.334 5.646 -1.618) 5.882 10.924 ( 4.373 -0.909 1.134) 4.608 11.080 ( 1.550 4.835 -0.071) 5.078 11.735 ( 3.462 -2.977 10.199) 11.174 11.773 ( 4.291 -4.898 10.489) 12.346 11.997 ( -0.407 3.708 4.337) 5.721 12.023 ( 1.373 5.242 1.278) 5.567 12.179 ( -2.607 -1.656 4.846) 5.747 12.280 ( -2.417 -1.342 -4.385) 5.184 12.408 ( 0.082 1.469 -8.128) 8.260 12.540 ( -1.311 0.953 -0.926) 1.867 12.669 ( 4.038 -1.427 0.717) 4.343 12.828 ( 1.876 7.334 -2.919) 8.113 13.118 ( -4.088 -22.442 3.864) 23.136 13.325 ( 0.474 -17.584 -2.394) 17.753 13.993 ( -5.537 14.282 7.318) 16.976 14.380 ( 0.476 5.433 -0.149) 5.456 14.595 ( -7.099 6.404 2.975) 10.013 14.707 ( -4.511 3.867 4.366) 7.373 15.131 ( -5.031 3.382 1.307) 6.201 15.348 ( 7.378 0.371 -2.729) 7.875 16.047 ( 0.095 -2.725 -14.019) 14.282 16.139 ( 9.380 -4.993 -14.939) 18.333 ======================= Grid point 135 (74/111) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 1.891 7.343 -0.201) 7.585 1.924 ( 7.988 -4.232 11.505) 14.632 2.201 ( 10.587 2.454 15.663) 19.064 2.345 ( 7.782 -0.852 7.828) 11.071 2.628 ( 4.942 -1.941 0.140) 5.311 2.687 ( -6.321 -2.156 -4.417) 8.007 2.743 ( -2.587 -0.694 -4.001) 4.815 2.799 ( -0.230 -1.769 -8.821) 8.999 3.070 ( -0.472 -1.699 -6.592) 6.824 3.149 ( -1.592 -0.719 -6.714) 6.937 3.368 ( -8.093 -2.510 0.491) 8.487 3.424 ( -6.134 3.905 -6.917) 10.036 3.569 ( -0.146 -1.515 -1.320) 2.014 3.611 ( -4.278 0.098 -2.414) 4.913 3.736 ( 5.035 2.846 0.404) 5.797 3.850 ( 2.552 -0.729 -6.754) 7.257 3.905 ( 5.543 -2.090 -6.074) 8.485 4.005 ( 5.080 -1.399 1.183) 5.400 4.137 ( -1.073 5.803 6.424) 8.723 4.142 ( 0.396 6.035 -2.913) 6.713 4.271 ( 0.973 8.506 2.753) 8.994 4.435 ( -0.727 1.345 2.454) 2.891 4.473 ( 1.944 0.457 -4.864) 5.258 4.574 ( 0.818 -0.892 -2.574) 2.844 4.621 ( 1.598 -1.175 2.017) 2.829 4.709 ( -2.689 -4.182 -1.153) 5.104 4.887 ( -0.767 1.988 -3.489) 4.088 5.041 ( -1.492 -0.076 -1.490) 2.110 5.106 ( -2.171 -2.458 -1.415) 3.572 5.177 ( -1.207 -1.620 -3.542) 4.078 5.285 ( 1.588 1.083 -2.105) 2.850 5.323 ( -1.643 0.871 -4.550) 4.916 5.502 ( -6.975 -4.908 10.063) 13.191 5.528 ( -6.054 -1.757 0.436) 6.319 5.591 ( -7.725 -4.855 2.002) 9.341 5.696 ( 0.790 -1.263 -4.546) 4.784 5.832 ( -5.133 2.280 3.576) 6.659 5.874 ( -6.990 0.446 0.787) 7.049 5.982 ( -2.843 3.746 5.925) 7.564 6.161 ( -2.221 -0.963 9.432) 9.737 6.276 ( -2.894 2.414 2.511) 4.528 6.355 ( 5.344 -3.363 3.736) 7.337 6.626 ( 3.011 3.218 4.590) 6.363 6.655 ( 2.853 2.924 -0.139) 4.087 6.811 ( -4.623 -1.580 -8.656) 9.940 6.901 ( -8.562 -1.768 -2.438) 9.076 7.047 ( -7.252 -1.812 0.541) 7.495 7.144 ( 1.473 -7.061 -0.059) 7.214 7.447 ( 2.792 3.803 -1.961) 5.109 7.566 ( 7.778 -0.411 -1.439) 7.921 7.749 ( -0.623 -0.975 -1.558) 1.941 7.765 ( 0.926 -3.669 -2.413) 4.488 7.911 ( 3.205 0.491 4.729) 5.733 7.937 ( 2.290 -1.063 0.106) 2.527 8.175 ( 0.462 0.512 1.493) 1.644 8.209 ( 1.309 -2.777 -2.360) 3.872 8.507 ( 3.224 3.737 -4.871) 6.934 8.523 ( 5.234 3.074 -4.816) 7.748 8.642 ( -0.680 2.101 0.861) 2.370 8.794 ( 5.367 -3.139 -0.870) 6.278 8.976 ( 6.240 1.613 -3.100) 7.152 9.050 ( 4.012 2.440 -2.269) 5.215 9.246 ( -0.371 1.027 8.039) 8.113 9.380 ( 1.060 4.450 6.180) 7.689 9.595 ( -2.522 -4.729 3.699) 6.512 9.713 ( -2.618 0.484 -0.187) 2.669 9.800 ( -2.194 -4.713 0.686) 5.244 9.886 ( -3.381 -3.796 0.856) 5.155 10.185 ( -1.625 3.300 0.189) 3.683 10.210 ( -0.184 3.262 -2.725) 4.254 10.359 ( -3.300 -2.200 1.120) 4.121 10.470 ( -1.510 -4.327 1.122) 4.719 10.837 ( 1.030 6.829 -3.961) 7.962 10.875 ( -0.884 4.084 3.837) 5.673 10.965 ( 0.893 -2.358 -2.982) 3.905 11.115 ( 1.283 2.879 1.507) 3.493 11.747 ( -2.259 1.619 -3.271) 4.292 11.929 ( 1.180 0.071 4.643) 4.791 11.988 ( -8.666 -0.464 -2.727) 9.097 12.108 ( 3.541 0.670 6.656) 7.569 12.142 ( 3.678 2.493 8.174) 9.303 12.281 ( 1.576 -2.108 0.980) 2.808 12.378 ( 1.847 2.994 -4.836) 5.980 12.568 ( 1.557 0.842 2.977) 3.464 12.784 ( 6.654 -2.289 -0.856) 7.089 12.860 ( 2.458 1.426 0.939) 2.993 13.110 ( -0.750 -18.140 6.548) 19.301 13.322 ( 0.126 -16.672 0.564) 16.682 13.956 ( -4.962 14.299 7.930) 17.087 14.376 ( -0.250 7.426 -2.425) 7.816 14.445 ( -11.155 1.779 6.409) 12.988 14.647 ( -4.122 3.879 0.904) 5.732 15.029 ( -4.113 7.068 -1.923) 8.401 15.435 ( 6.012 0.235 -7.250) 9.422 15.913 ( -2.117 -2.744 -11.879) 12.374 16.118 ( 3.217 -6.636 -17.065) 18.590 ======================= Grid point 136 (75/111) ======================= q-point: (-0.62 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 8.826 10.114 2.375) 13.632 2.149 ( 3.492 -6.879 8.625) 11.572 2.409 ( -14.235 0.648 3.947) 14.787 2.465 ( 0.178 -0.205 5.559) 5.565 2.548 ( 6.378 1.933 4.223) 7.890 2.616 ( 1.910 4.944 1.341) 5.467 2.750 ( 3.426 0.565 -8.765) 9.427 2.853 ( 0.738 -4.696 -4.847) 6.789 2.946 ( -3.714 -1.491 -6.473) 7.610 3.074 ( 2.117 1.756 -12.918) 13.208 3.146 ( -3.413 0.913 -4.850) 6.000 3.330 ( -0.149 -7.769 -6.509) 10.136 3.451 ( -3.190 -4.836 -6.003) 8.342 3.561 ( -2.919 -10.345 0.395) 10.756 3.756 ( -1.749 3.532 -9.283) 10.085 3.834 ( 3.089 1.012 -4.977) 5.945 3.903 ( 0.149 3.704 -3.524) 5.115 4.043 ( -1.487 1.312 -1.408) 2.432 4.105 ( -2.565 2.668 -1.296) 3.921 4.135 ( -3.692 1.536 -2.133) 4.532 4.289 ( 0.238 7.673 2.813) 8.176 4.405 ( 4.488 4.922 -5.270) 8.494 4.506 ( -7.452 0.260 -0.958) 7.518 4.546 ( 3.069 -1.086 0.246) 3.265 4.621 ( -2.457 7.930 2.526) 8.678 4.720 ( 3.433 -3.128 -0.476) 4.669 4.850 ( -2.641 -3.568 0.455) 4.462 5.003 ( -1.836 0.449 -2.829) 3.402 5.060 ( -1.964 2.310 -0.455) 3.067 5.114 ( -1.074 -3.593 0.280) 3.760 5.212 ( -3.236 1.850 1.907) 4.186 5.301 ( -1.547 -0.600 1.072) 1.975 5.365 ( -6.537 -2.768 0.324) 7.106 5.452 ( -2.237 -1.613 1.728) 3.254 5.589 ( 3.265 -3.001 1.970) 4.852 5.723 ( -7.932 -1.974 4.591) 9.375 5.782 ( -4.329 1.700 2.543) 5.301 5.792 ( 5.652 -2.606 0.846) 6.281 6.004 ( 0.470 3.137 4.251) 5.304 6.186 ( -4.445 -1.431 9.232) 10.346 6.229 ( -4.394 1.025 4.570) 6.422 6.433 ( -0.394 -4.438 -3.112) 5.435 6.596 ( -1.922 2.563 -8.162) 8.768 6.693 ( -0.014 0.535 -1.048) 1.177 6.759 ( 3.629 3.184 3.579) 6.010 6.820 ( -0.264 0.961 5.622) 5.710 6.906 ( -5.131 -0.642 -2.368) 5.687 7.165 ( 1.512 -7.093 -3.244) 7.945 7.419 ( 0.153 1.856 -7.104) 7.345 7.579 ( 0.942 -3.791 -10.509) 11.211 7.796 ( 2.289 -3.539 -0.486) 4.243 7.812 ( 4.599 -1.365 0.294) 4.807 7.980 ( 2.577 0.476 2.153) 3.392 8.052 ( 3.186 -0.527 2.897) 4.338 8.237 ( 3.054 2.411 3.888) 5.501 8.303 ( 7.242 0.153 5.416) 9.044 8.518 ( 1.550 5.224 -4.770) 7.242 8.597 ( 4.515 1.221 -1.509) 4.914 8.635 ( -0.411 2.460 1.026) 2.697 8.858 ( 4.166 -2.531 -4.502) 6.636 9.088 ( 6.324 -1.110 2.510) 6.894 9.106 ( 2.771 -1.607 0.315) 3.218 9.321 ( 0.082 3.669 8.563) 9.316 9.423 ( -1.493 6.042 6.882) 9.278 9.590 ( -2.611 -4.719 4.883) 7.276 9.681 ( -0.145 -1.960 0.147) 1.970 9.765 ( -1.671 -3.665 0.530) 4.063 9.809 ( -4.270 -2.607 0.388) 5.018 10.152 ( -0.881 2.265 -3.036) 3.889 10.178 ( -0.807 3.858 -2.118) 4.474 10.322 ( -1.722 -1.815 1.103) 2.735 10.455 ( -1.076 -3.072 1.641) 3.645 10.801 ( 0.302 3.277 -8.606) 9.214 10.860 ( -3.852 4.753 -0.653) 6.152 10.940 ( 0.275 -1.247 -0.293) 1.310 11.161 ( 1.512 2.368 3.520) 4.503 11.623 ( -6.798 3.380 -4.500) 8.825 11.721 ( -11.689 1.676 -6.235) 13.353 12.005 ( 4.575 1.800 -0.771) 4.976 12.125 ( -5.465 1.368 -1.915) 5.950 12.277 ( 1.035 -4.635 5.750) 7.458 12.338 ( 3.706 -5.823 1.643) 7.095 12.450 ( 5.241 7.365 7.187) 11.548 12.615 ( 0.942 -0.307 2.095) 2.318 12.895 ( 5.007 -4.489 0.229) 6.729 12.927 ( 1.351 -4.853 2.960) 5.843 13.185 ( 0.924 -10.935 9.256) 14.356 13.360 ( 2.116 -11.922 4.380) 12.876 13.933 ( -4.873 13.981 8.448) 17.047 14.263 ( -7.036 8.859 -1.051) 11.362 14.368 ( -3.378 -2.878 3.790) 5.836 14.565 ( -3.024 0.202 -2.548) 3.959 14.977 ( 0.957 13.161 -2.315) 13.398 15.455 ( 3.707 4.563 -11.207) 12.655 15.787 ( -0.540 -6.823 -9.076) 11.368 15.993 ( -0.334 -7.189 -18.132) 19.507 ======================= Grid point 137 (76/111) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.775 4.441 3.187) 5.521 2.091 ( -12.397 -0.478 6.522) 14.016 2.240 ( -2.271 3.593 -0.405) 4.270 2.392 ( -20.979 3.270 1.762) 21.305 2.477 ( -6.710 8.421 -1.855) 10.926 2.610 ( 6.644 -4.677 -2.448) 8.486 2.751 ( -2.717 0.003 -6.698) 7.228 2.826 ( 0.548 0.150 -2.229) 2.300 2.923 ( 8.268 0.434 -6.516) 10.536 3.006 ( -0.169 -1.199 -10.682) 10.750 3.213 ( 10.648 -10.769 -1.371) 15.206 3.226 ( -2.333 -4.589 -6.097) 7.979 3.480 ( 2.875 -2.105 -0.424) 3.589 3.517 ( 0.128 -7.882 -1.375) 8.002 3.663 ( -8.122 0.327 -3.767) 8.959 3.683 ( -1.452 -0.462 -7.121) 7.282 3.900 ( -5.379 6.768 -1.137) 8.720 3.941 ( -2.303 1.177 1.533) 3.007 4.025 ( -3.269 -1.421 -3.567) 5.043 4.111 ( 3.928 -2.824 -3.173) 5.785 4.271 ( -6.797 1.286 1.201) 7.021 4.392 ( 2.723 7.160 2.310) 8.001 4.483 ( 4.282 1.306 -3.916) 5.948 4.578 ( 0.263 1.148 1.140) 1.639 4.601 ( -1.695 14.015 0.661) 14.133 4.704 ( -2.540 -5.831 -3.296) 7.164 4.867 ( 0.763 -0.842 3.242) 3.436 4.947 ( 3.973 1.136 -3.531) 5.435 5.042 ( -4.491 2.254 -0.573) 5.058 5.145 ( 2.882 -2.128 5.084) 6.219 5.177 ( -4.437 -1.011 5.496) 7.136 5.256 ( -3.585 -7.778 -0.362) 8.572 5.319 ( 0.066 3.121 0.647) 3.188 5.440 ( -1.792 -0.935 2.196) 2.985 5.623 ( -2.956 1.660 3.222) 4.677 5.694 ( 2.086 1.869 4.925) 5.666 5.733 ( 0.041 -0.112 -0.679) 0.689 5.917 ( 3.640 -4.494 3.960) 7.009 6.059 ( 1.904 0.326 2.406) 3.086 6.119 ( -4.586 3.334 0.743) 5.718 6.203 ( -4.329 -6.291 5.821) 9.602 6.334 ( -3.212 -3.280 -5.246) 6.971 6.565 ( 2.913 8.323 -1.756) 8.991 6.698 ( 1.427 -0.728 0.049) 1.603 6.815 ( -1.161 -0.871 -2.934) 3.273 6.875 ( 2.072 1.386 4.157) 4.847 6.902 ( 4.439 1.588 2.468) 5.322 7.158 ( 1.347 -5.133 -4.148) 6.735 7.374 ( 1.538 -1.603 -7.257) 7.589 7.515 ( 3.343 -3.177 -12.045) 12.898 7.823 ( 0.801 -3.592 -0.573) 3.724 7.873 ( 2.816 -4.684 -2.335) 5.943 8.044 ( 1.789 0.839 1.569) 2.524 8.092 ( 0.733 0.832 -0.051) 1.110 8.324 ( 1.449 5.547 4.032) 7.009 8.459 ( 2.886 4.915 -2.127) 6.084 8.494 ( 0.405 2.386 0.220) 2.430 8.639 ( 2.392 -0.832 -2.628) 3.649 8.680 ( 3.193 1.362 1.543) 3.799 8.899 ( 3.758 -4.237 -3.401) 6.606 9.163 ( 1.578 0.997 3.952) 4.371 9.255 ( 3.531 0.328 8.502) 9.211 9.376 ( -0.562 0.671 6.428) 6.488 9.492 ( 2.633 3.386 8.696) 9.697 9.586 ( -3.369 -4.472 7.491) 9.352 9.689 ( 1.158 -1.135 1.055) 1.934 9.734 ( -1.659 -3.208 0.616) 3.664 9.778 ( 1.034 -1.487 -0.666) 1.930 10.079 ( -1.754 2.262 -8.520) 8.988 10.138 ( -1.587 1.833 -3.593) 4.334 10.298 ( -1.924 0.561 1.408) 2.450 10.454 ( -1.182 -1.794 2.571) 3.350 10.698 ( -3.113 3.427 -10.600) 11.567 10.716 ( -4.972 -0.174 -7.235) 8.780 10.985 ( 0.192 2.831 7.577) 8.091 11.238 ( 1.833 2.706 6.943) 7.674 11.393 ( -10.780 2.541 -6.615) 12.901 11.496 ( -8.392 2.398 -0.817) 8.766 11.974 ( -6.037 1.660 -2.479) 6.734 12.044 ( 1.024 0.088 -6.215) 6.299 12.325 ( 1.626 -6.706 5.565) 8.865 12.433 ( 2.011 -7.286 2.724) 8.035 12.598 ( 3.720 5.899 4.742) 8.433 12.648 ( 1.195 0.879 1.450) 2.074 12.935 ( -2.509 -4.220 2.195) 5.378 12.967 ( 1.353 -9.886 1.954) 10.168 13.315 ( 3.760 -3.389 11.240) 12.327 13.469 ( 3.453 -9.084 6.726) 11.818 13.901 ( -5.483 12.629 7.378) 15.620 14.152 ( -3.890 3.418 0.444) 5.197 14.340 ( -1.203 -0.228 1.344) 1.819 14.511 ( 0.212 -1.348 -3.452) 3.712 15.018 ( 4.300 17.049 -1.338) 17.634 15.365 ( -1.899 8.864 -13.100) 15.931 15.778 ( 6.262 -10.681 -7.971) 14.725 15.806 ( -2.205 -7.256 -17.355) 18.940 ======================= Grid point 138 (77/111) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -15.786 2.829 10.000) 18.900 1.820 ( -19.061 5.757 3.804) 20.271 2.108 ( -7.189 -3.262 -2.981) 8.439 2.185 ( -7.001 -3.242 2.549) 8.126 2.454 ( -3.111 -0.847 0.723) 3.305 2.536 ( 2.841 8.515 -1.820) 9.159 2.688 ( -10.034 4.008 2.613) 11.116 2.810 ( 4.424 -1.021 -1.109) 4.674 2.904 ( -4.237 -5.583 -0.595) 7.033 3.060 ( 2.853 -0.785 -5.560) 6.299 3.187 ( 5.626 1.043 -6.029) 8.312 3.358 ( -4.230 3.841 -1.614) 5.937 3.408 ( 2.374 -1.572 1.196) 3.089 3.439 ( -2.946 -10.883 -0.377) 11.281 3.579 ( 0.111 0.922 0.797) 1.224 3.715 ( 4.863 -1.128 -3.291) 5.979 3.854 ( -0.411 0.775 -1.876) 2.071 3.870 ( -2.757 0.849 0.711) 2.971 3.972 ( 2.899 1.146 -3.150) 4.432 4.161 ( 0.953 -8.129 -3.322) 8.833 4.254 ( 4.681 1.878 -3.507) 6.144 4.436 ( -0.887 -4.878 3.008) 5.799 4.486 ( -1.805 5.709 0.616) 6.019 4.552 ( 2.924 6.173 -3.991) 7.911 4.640 ( 1.277 -4.801 1.507) 5.191 4.731 ( 7.693 5.438 -0.782) 9.453 4.840 ( -6.043 0.879 6.246) 8.735 4.936 ( -4.827 3.448 0.565) 5.959 5.045 ( 2.370 2.443 -1.284) 3.638 5.132 ( -3.128 -2.868 3.735) 5.653 5.159 ( -2.209 -1.682 -3.131) 4.185 5.244 ( 3.390 -1.563 0.276) 3.743 5.359 ( 1.796 1.915 4.054) 4.830 5.399 ( -4.364 0.203 4.346) 6.163 5.630 ( 0.705 2.731 1.999) 3.458 5.741 ( 1.983 1.111 -0.224) 2.284 5.806 ( 3.166 0.128 3.366) 4.623 5.976 ( -1.142 -4.678 4.185) 6.380 6.036 ( -2.182 0.322 0.134) 2.210 6.128 ( 0.946 -0.266 1.091) 1.468 6.181 ( -1.464 -4.437 4.878) 6.755 6.270 ( 1.880 -2.996 -5.291) 6.364 6.632 ( 3.373 10.067 -0.905) 10.656 6.720 ( 0.024 2.614 -0.119) 2.617 6.822 ( 1.862 -1.573 2.235) 3.307 6.949 ( 4.754 -2.312 0.455) 5.306 6.994 ( 3.996 0.414 0.521) 4.051 7.151 ( 1.476 -2.421 -3.981) 4.887 7.346 ( 2.497 -3.040 -7.964) 8.883 7.518 ( 6.654 -2.992 -10.792) 13.026 7.819 ( -0.092 -3.196 -1.608) 3.579 7.886 ( 1.073 -5.886 -3.415) 6.889 8.070 ( 0.296 0.230 0.099) 0.388 8.095 ( -0.257 1.585 -0.232) 1.622 8.358 ( -0.739 5.906 3.845) 7.086 8.428 ( 0.313 4.964 -3.473) 6.067 8.534 ( 1.820 2.854 -1.378) 3.655 8.635 ( 0.495 0.511 -4.804) 4.856 8.740 ( 1.274 -0.846 -0.143) 1.536 8.940 ( 2.853 -5.830 -2.868) 7.096 9.204 ( -4.003 2.833 5.460) 7.339 9.287 ( -3.943 5.111 2.033) 6.768 9.416 ( -1.799 -4.752 7.431) 9.002 9.538 ( -4.193 -2.459 0.914) 4.946 9.704 ( 3.560 -2.352 2.757) 5.080 9.726 ( 3.896 -1.549 4.263) 5.980 9.781 ( 4.462 -0.525 7.382) 8.642 9.814 ( 3.101 -1.087 1.878) 3.785 9.950 ( -2.133 2.627 -9.751) 10.322 10.036 ( -2.258 -1.052 -9.146) 9.479 10.288 ( -1.369 4.855 4.909) 7.039 10.436 ( -2.997 -0.112 1.326) 3.279 10.534 ( -3.812 2.521 -5.036) 6.801 10.605 ( -2.099 -0.890 -4.091) 4.683 11.043 ( -3.971 5.334 9.984) 11.996 11.169 ( -6.312 1.749 -1.848) 6.806 11.322 ( -3.781 2.835 5.933) 7.585 11.374 ( -1.570 1.118 4.732) 5.110 11.857 ( -4.242 1.744 -0.989) 4.692 11.992 ( -1.148 -3.027 -3.022) 4.429 12.377 ( -2.063 -7.839 3.069) 8.668 12.473 ( 1.954 -8.582 -0.293) 8.807 12.671 ( 1.522 2.370 -0.280) 2.830 12.695 ( 3.503 3.091 -0.013) 4.671 12.896 ( -2.768 -0.161 2.749) 3.904 12.989 ( -0.657 -10.034 1.469) 10.163 13.487 ( 3.522 -2.433 7.876) 8.964 13.579 ( 1.614 -9.953 4.355) 10.983 13.873 ( -2.627 10.150 8.576) 13.545 14.130 ( 0.434 -0.473 4.284) 4.332 14.359 ( 1.436 2.600 2.353) 3.790 14.508 ( 2.413 0.472 -3.437) 4.226 15.069 ( 0.577 14.825 -4.999) 15.656 15.235 ( 1.489 13.578 -7.349) 15.511 15.577 ( -5.796 -7.099 -13.939) 16.682 15.903 ( 11.740 -9.784 -9.046) 17.759 ======================= Grid point 139 (78/111) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -14.348 3.730 16.301) 22.034 1.609 ( -10.430 7.313 20.476) 24.115 1.980 ( -3.297 -6.273 -0.888) 7.142 2.139 ( -4.233 -10.937 9.693) 15.215 2.276 ( -7.414 -0.093 -3.915) 8.385 2.535 ( -9.322 3.904 12.093) 15.760 2.705 ( 1.416 5.141 -0.502) 5.356 2.729 ( -5.023 5.614 3.317) 8.231 2.847 ( -3.923 -2.274 5.870) 7.417 3.085 ( 6.541 -2.903 -3.681) 8.048 3.147 ( -1.472 3.005 -0.862) 3.456 3.425 ( 4.400 -2.516 -2.165) 5.512 3.451 ( 3.227 -5.334 1.320) 6.372 3.515 ( 6.955 8.282 -0.153) 10.816 3.574 ( 0.964 -1.880 1.857) 2.813 3.752 ( 2.009 2.463 -6.359) 7.109 3.791 ( -3.869 -3.355 -0.001) 5.121 3.872 ( 2.437 5.441 -0.739) 6.007 4.011 ( -2.987 3.668 -3.816) 6.078 4.113 ( 4.210 -6.292 -8.322) 11.251 4.348 ( 5.906 -4.585 -3.303) 8.174 4.441 ( 1.196 -4.669 4.635) 6.687 4.475 ( 0.152 3.403 2.621) 4.297 4.592 ( -4.655 -5.715 3.961) 8.368 4.691 ( 5.076 -4.194 -1.225) 6.697 4.797 ( -0.854 2.123 2.325) 3.262 4.865 ( 0.250 1.031 0.747) 1.298 4.903 ( 7.220 4.271 -0.609) 8.411 5.029 ( -2.292 2.380 2.493) 4.139 5.063 ( -3.369 0.802 0.862) 3.569 5.158 ( 3.108 2.441 -6.201) 7.353 5.270 ( -2.353 -4.600 0.615) 5.203 5.429 ( 7.183 1.612 0.656) 7.391 5.450 ( 1.157 2.292 8.608) 8.983 5.633 ( 0.595 5.086 -4.218) 6.635 5.789 ( 0.927 -0.599 3.227) 3.410 5.831 ( -2.704 -0.389 0.538) 2.784 6.003 ( 1.359 -1.022 5.942) 6.181 6.028 ( -1.239 -2.482 2.831) 3.963 6.121 ( -2.848 -4.615 4.578) 7.097 6.208 ( 1.445 1.291 -0.388) 1.976 6.317 ( 4.478 -3.658 -1.175) 5.901 6.654 ( 1.084 9.389 -3.099) 9.947 6.685 ( -2.290 4.199 -2.312) 5.312 6.855 ( -2.827 -1.070 5.056) 5.890 7.040 ( -1.071 0.347 2.144) 2.421 7.075 ( 4.114 -5.500 -2.174) 7.205 7.186 ( 8.815 -3.045 -4.604) 10.400 7.382 ( 8.655 0.618 -5.722) 10.394 7.574 ( 7.808 -3.337 -8.576) 12.069 7.800 ( 0.456 -3.214 -2.872) 4.334 7.860 ( -0.075 -5.741 -4.495) 7.291 8.058 ( -1.005 -0.245 -1.383) 1.727 8.081 ( -0.553 0.791 -0.798) 1.252 8.368 ( -1.978 5.762 3.186) 6.875 8.440 ( 3.256 4.692 -2.252) 6.139 8.526 ( -0.869 3.286 -3.240) 4.696 8.583 ( -0.286 0.737 -7.053) 7.098 8.724 ( -1.687 -0.236 -1.799) 2.478 8.940 ( -1.569 -4.792 -3.512) 6.145 9.022 ( -10.381 4.316 -4.746) 12.203 9.246 ( -5.097 2.220 2.250) 5.997 9.331 ( -10.550 -7.071 -7.682) 14.843 9.425 ( -3.489 -3.097 5.086) 6.902 9.717 ( 0.123 0.355 -1.623) 1.666 9.787 ( 0.979 -0.220 -1.333) 1.669 9.823 ( 0.220 0.755 -1.665) 1.842 9.946 ( -0.412 -3.729 -2.521) 4.520 9.988 ( 6.001 2.584 4.782) 8.097 10.066 ( 9.952 -2.151 9.842) 14.161 10.338 ( 0.920 3.150 4.522) 5.587 10.378 ( -2.327 0.576 3.375) 4.140 10.487 ( 0.115 3.039 1.347) 3.326 10.569 ( 0.133 0.825 0.327) 0.897 10.955 ( -5.849 7.295 1.445) 9.461 11.151 ( -4.801 7.859 9.536) 13.257 11.246 ( -2.241 -4.040 2.925) 5.468 11.464 ( -0.617 0.695 12.588) 12.622 11.796 ( -1.882 1.542 0.850) 2.578 11.976 ( -0.004 -4.785 2.566) 5.429 12.318 ( -4.601 -6.382 0.523) 7.885 12.476 ( -0.571 -10.671 -2.932) 11.081 12.670 ( 0.630 1.543 -4.014) 4.347 12.753 ( 2.351 1.957 -2.716) 4.091 12.882 ( -0.395 3.211 0.250) 3.245 12.965 ( -1.980 -6.996 -0.916) 7.328 13.512 ( -6.382 -8.086 -0.588) 10.318 13.542 ( -2.981 -9.150 -3.605) 10.276 13.971 ( 2.184 7.233 9.885) 12.442 14.260 ( 3.679 -4.538 9.510) 11.161 14.457 ( 7.182 5.030 5.530) 10.366 14.548 ( 4.148 3.346 -2.032) 5.704 14.980 ( -0.960 8.408 -4.651) 9.657 15.271 ( 2.958 13.826 -11.817) 18.427 15.427 ( 0.610 1.476 5.006) 5.255 16.049 ( 12.009 -8.528 -12.319) 19.202 ======================= Grid point 140 (79/111) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -9.054 4.129 18.988) 21.437 1.680 ( -6.103 6.698 23.853) 25.516 1.910 ( -5.020 -10.600 0.215) 11.730 2.119 ( -8.193 -5.440 4.975) 11.021 2.182 ( 4.406 0.528 -1.551) 4.701 2.566 ( -3.599 2.981 23.060) 23.529 2.693 ( -0.424 0.261 1.673) 1.746 2.754 ( 6.013 2.734 14.565) 15.993 2.946 ( 6.287 2.715 4.014) 7.938 3.151 ( 3.612 7.621 -3.672) 9.198 3.202 ( 5.991 -8.273 -0.657) 10.235 3.431 ( -1.301 -6.899 -0.455) 7.035 3.506 ( -5.396 4.179 0.884) 6.882 3.546 ( 2.747 1.463 3.083) 4.381 3.662 ( -2.609 -0.051 0.043) 2.610 3.694 ( -2.123 2.022 -0.941) 3.079 3.757 ( 6.136 2.627 -6.374) 9.229 3.902 ( -0.678 -1.439 -4.352) 4.634 3.961 ( 6.908 9.255 -1.562) 11.654 4.132 ( 3.575 0.784 -5.827) 6.881 4.386 ( 2.795 -4.932 -2.102) 6.046 4.416 ( -10.907 -0.450 5.873) 12.396 4.514 ( -1.247 2.952 3.520) 4.760 4.624 ( 4.163 -6.084 2.094) 7.664 4.718 ( 1.912 -4.396 -0.533) 4.823 4.844 ( -1.009 -2.419 2.307) 3.492 4.905 ( 8.632 -3.411 -6.258) 11.194 5.014 ( -1.943 -1.973 1.404) 3.105 5.022 ( 1.941 -0.533 0.435) 2.059 5.082 ( 4.130 -3.178 -0.406) 5.228 5.144 ( 4.661 3.047 -4.282) 7.025 5.266 ( 3.230 -0.675 -2.825) 4.344 5.555 ( -0.019 4.659 10.310) 11.314 5.589 ( 6.851 3.010 -1.540) 7.639 5.631 ( 3.504 3.799 -1.410) 5.358 5.717 ( -3.557 -0.445 -1.266) 3.802 5.868 ( 1.349 1.899 6.401) 6.812 6.009 ( -3.703 -1.820 2.908) 5.048 6.043 ( -4.322 -2.667 6.176) 7.996 6.160 ( 3.043 -2.625 5.770) 7.031 6.213 ( -0.245 2.609 -1.490) 3.015 6.385 ( -0.419 -3.026 5.448) 6.246 6.611 ( 0.128 4.329 -2.752) 5.131 6.658 ( -0.584 8.308 -1.323) 8.433 6.806 ( -3.684 -2.340 1.699) 4.683 6.922 ( -8.834 -1.646 -2.643) 9.366 7.120 ( 1.639 -2.175 -0.639) 2.797 7.319 ( 6.039 -6.564 -4.710) 10.086 7.551 ( 9.871 1.566 -3.820) 10.700 7.671 ( 6.997 -1.918 -5.673) 9.210 7.795 ( 0.946 -4.846 -3.965) 6.332 7.836 ( 3.934 -3.483 -5.108) 7.328 8.009 ( -2.486 -0.199 -2.166) 3.303 8.059 ( -0.937 -1.091 -2.067) 2.518 8.299 ( -6.283 4.830 0.534) 7.942 8.411 ( -6.747 -0.256 -3.702) 7.700 8.507 ( 6.077 5.532 -6.252) 10.326 8.532 ( 1.298 3.371 -7.696) 8.501 8.665 ( -1.906 2.752 -2.198) 4.005 8.747 ( -8.541 2.951 -3.213) 9.590 8.871 ( -7.722 -3.197 -4.581) 9.531 9.021 ( -4.374 1.284 -7.548) 8.818 9.238 ( -3.837 -4.532 5.247) 7.924 9.370 ( -5.292 -2.897 2.082) 6.382 9.691 ( -0.983 0.152 -0.001) 0.995 9.810 ( 1.425 -0.476 0.486) 1.579 9.836 ( 1.220 -0.647 -0.674) 1.536 9.903 ( -2.771 -4.150 0.314) 4.999 10.123 ( 4.170 4.246 2.319) 6.388 10.274 ( 3.395 -1.318 1.956) 4.134 10.339 ( 1.358 -1.947 2.341) 3.334 10.439 ( 0.604 -3.081 4.640) 5.602 10.589 ( 5.651 4.446 7.860) 10.653 10.624 ( 3.953 3.755 3.634) 6.552 10.904 ( -1.417 9.038 2.295) 9.432 11.084 ( -5.299 8.608 3.610) 10.733 11.327 ( 2.068 -3.521 12.229) 12.893 11.550 ( -1.951 -2.768 14.031) 14.434 11.803 ( 0.756 2.019 3.912) 4.467 12.029 ( 1.281 -3.946 5.108) 6.581 12.228 ( -4.442 -4.873 0.009) 6.594 12.418 ( -1.738 -8.796 -4.544) 10.052 12.631 ( 0.276 0.717 -6.582) 6.627 12.696 ( -3.761 1.234 -6.854) 7.915 12.851 ( -3.971 2.387 -1.943) 5.024 12.910 ( -0.336 2.608 -5.315) 5.930 13.309 ( -9.821 -17.763 -1.434) 20.347 13.441 ( -3.885 -11.419 -4.093) 12.737 14.053 ( -1.865 10.390 7.301) 12.835 14.340 ( 1.001 2.559 1.935) 3.360 14.612 ( 2.363 5.351 2.444) 6.340 14.674 ( 5.410 0.185 5.040) 7.396 15.035 ( 6.815 3.879 2.168) 8.136 15.192 ( -1.877 2.821 -0.581) 3.438 15.663 ( 17.145 9.221 0.587) 19.476 16.138 ( 8.884 -6.645 -14.997) 18.655 ======================= Grid point 141 (80/111) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -3.635 -7.202 10.256) 13.049 1.644 ( -3.635 7.202 10.256) 13.049 1.899 ( -3.935 -8.436 14.746) 17.438 1.899 ( -3.935 8.436 14.746) 17.438 2.433 ( 5.619 -10.467 -5.544) 13.110 2.433 ( 5.619 10.467 -5.544) 13.110 2.985 ( 1.471 -4.814 8.659) 10.016 2.985 ( 1.471 4.814 8.659) 10.016 3.177 ( 9.151 -2.440 6.541) 11.510 3.177 ( 9.151 2.440 6.541) 11.510 3.340 ( 3.036 -0.871 -3.652) 4.828 3.340 ( 3.036 0.871 -3.652) 4.828 3.472 ( -2.582 -8.023 -3.542) 9.142 3.472 ( -2.582 8.023 -3.542) 9.142 3.703 ( -0.372 -2.675 5.038) 5.716 3.703 ( -0.372 2.675 5.038) 5.716 3.893 ( 3.815 -2.420 1.555) 4.778 3.893 ( 3.815 2.420 1.555) 4.778 4.144 ( 0.725 -3.153 -3.687) 4.905 4.144 ( 0.725 3.153 -3.687) 4.905 4.350 ( -3.212 -6.252 4.569) 8.383 4.350 ( -3.212 6.252 4.569) 8.383 4.582 ( 2.223 -4.714 0.058) 5.213 4.582 ( 2.223 4.714 0.058) 5.213 4.719 ( -4.869 -7.902 -0.550) 9.298 4.719 ( -4.869 7.902 -0.550) 9.298 4.918 ( 5.219 -5.417 -2.943) 8.077 4.918 ( 5.219 5.417 -2.943) 8.077 5.080 ( 2.002 -1.772 -1.385) 3.011 5.080 ( 2.002 1.772 -1.385) 3.011 5.273 ( 5.626 -1.556 -4.355) 7.283 5.273 ( 5.626 1.556 -4.355) 7.283 5.589 ( -8.082 -2.600 5.294) 10.005 5.589 ( -8.082 2.600 5.294) 10.005 5.805 ( 6.662 -1.270 1.806) 7.018 5.805 ( 6.662 1.270 1.806) 7.018 5.961 ( -2.042 -0.772 4.216) 4.747 5.961 ( -2.042 0.772 4.216) 4.747 6.067 ( -0.512 -5.113 -0.425) 5.156 6.067 ( -0.512 5.113 -0.425) 5.156 6.386 ( 2.279 -0.987 7.833) 8.217 6.386 ( 2.279 0.987 7.833) 8.217 6.588 ( -10.294 -4.917 -3.449) 11.918 6.588 ( -10.294 4.917 -3.449) 11.918 6.800 ( 4.398 -5.478 1.091) 7.109 6.800 ( 4.398 5.478 1.091) 7.109 7.161 ( -0.375 -5.667 -1.548) 5.887 7.161 ( -0.375 5.667 -1.548) 5.887 7.615 ( -3.036 -1.772 -6.633) 7.507 7.615 ( -3.036 1.772 -6.633) 7.507 7.799 ( 1.899 -2.821 -5.419) 6.398 7.799 ( 1.899 2.821 -5.419) 6.398 7.945 ( -3.123 -1.578 -2.113) 4.088 7.945 ( -3.123 1.578 -2.113) 4.088 8.279 ( -1.769 -1.111 -0.555) 2.161 8.279 ( -1.769 1.111 -0.555) 2.161 8.543 ( 1.308 -2.596 -9.488) 9.923 8.543 ( 1.308 2.596 -9.488) 9.923 8.615 ( -2.432 -1.155 -1.693) 3.181 8.615 ( -2.432 1.155 -1.693) 3.181 8.942 ( 4.992 -8.824 -0.871) 10.176 8.942 ( 4.992 8.824 -0.871) 10.176 9.207 ( -3.871 -3.543 3.877) 6.524 9.207 ( -3.871 3.543 3.877) 6.524 9.717 ( -2.576 -4.691 1.408) 5.534 9.717 ( -2.576 4.691 1.408) 5.534 9.849 ( 0.605 -0.944 -0.618) 1.280 9.849 ( 0.605 0.944 -0.618) 1.280 10.280 ( 1.134 -3.689 2.081) 4.385 10.280 ( 1.134 3.689 2.081) 4.385 10.385 ( -0.512 -3.365 1.587) 3.755 10.385 ( -0.512 3.365 1.587) 3.755 10.789 ( 5.347 -0.986 3.245) 6.332 10.789 ( 5.347 0.986 3.245) 6.332 11.090 ( -3.267 -6.453 2.659) 7.706 11.090 ( -3.267 6.453 2.659) 7.706 11.510 ( 2.798 -3.487 12.508) 13.283 11.510 ( 2.798 3.487 12.508) 13.283 12.015 ( 3.358 -7.695 8.800) 12.163 12.015 ( 3.358 7.695 8.800) 12.163 12.199 ( -1.175 -6.731 -2.867) 7.410 12.199 ( -1.175 6.731 -2.867) 7.410 12.579 ( -0.550 -0.921 -8.291) 8.360 12.579 ( -0.550 0.921 -8.291) 8.360 12.798 ( -7.214 -10.116 1.817) 12.557 12.798 ( -7.214 10.116 1.817) 12.557 13.073 ( -2.224 -11.537 -5.671) 13.047 13.073 ( -2.224 11.537 -5.671) 13.047 14.291 ( -3.550 -9.225 7.736) 12.552 14.291 ( -3.550 9.225 7.736) 12.552 14.754 ( 0.033 -1.275 3.040) 3.297 14.754 ( 0.033 1.275 3.040) 3.297 15.225 ( 4.032 -0.831 0.430) 4.139 15.225 ( 4.032 0.831 0.430) 4.139 16.029 ( 9.037 -4.273 -13.812) 17.050 16.029 ( 9.037 4.273 -13.812) 17.050 ======================= Grid point 143 (81/111) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -0.776 -2.957 8.004) 8.568 1.671 ( -0.776 2.957 8.004) 8.568 2.032 ( 4.208 -7.250 15.064) 17.239 2.032 ( 4.208 7.250 15.064) 17.239 2.521 ( 8.602 -6.742 -6.654) 12.796 2.521 ( 8.602 6.742 -6.654) 12.796 2.940 ( -7.410 -0.676 -3.170) 8.087 2.940 ( -7.410 0.676 -3.170) 8.087 3.181 ( -1.577 -3.932 -3.606) 5.564 3.181 ( -1.577 3.932 -3.606) 5.564 3.448 ( 0.013 -5.154 -0.504) 5.178 3.448 ( 0.013 5.154 -0.504) 5.178 3.591 ( 10.207 -3.306 2.981) 11.135 3.591 ( 10.207 3.306 2.981) 11.135 3.730 ( 4.178 -0.820 -0.635) 4.305 3.730 ( 4.178 0.820 -0.635) 4.305 3.915 ( -3.462 -2.217 -2.709) 4.923 3.915 ( -3.462 2.217 -2.709) 4.923 4.182 ( 3.168 -6.491 9.029) 11.563 4.182 ( 3.168 6.491 9.029) 11.563 4.356 ( -0.226 -8.580 2.839) 9.040 4.356 ( -0.226 8.580 2.839) 9.040 4.556 ( -2.649 -4.387 -1.948) 5.483 4.556 ( -2.649 4.387 -1.948) 5.483 4.625 ( -0.381 -6.200 -4.887) 7.903 4.625 ( -0.381 6.200 -4.887) 7.903 4.994 ( -0.828 -2.839 1.158) 3.176 4.994 ( -0.828 2.839 1.158) 3.176 5.104 ( 5.999 -0.546 -5.657) 8.263 5.104 ( 5.999 0.546 -5.657) 8.263 5.345 ( 4.947 -2.838 -5.508) 7.929 5.345 ( 4.947 2.838 -5.508) 7.929 5.470 ( -10.395 -3.739 10.867) 15.496 5.470 ( -10.395 3.739 10.867) 15.496 5.820 ( -5.404 -2.366 -2.796) 6.528 5.820 ( -5.404 2.366 -2.796) 6.528 5.958 ( -3.914 -2.168 2.714) 5.233 5.958 ( -3.914 2.168 2.714) 5.233 6.070 ( 1.013 -3.882 3.556) 5.361 6.070 ( 1.013 3.882 3.556) 5.361 6.315 ( -6.646 -3.828 -0.679) 7.700 6.315 ( -6.646 3.828 -0.679) 7.700 6.578 ( 5.245 -2.882 3.251) 6.811 6.578 ( 5.245 2.882 3.251) 6.811 6.901 ( 1.699 -5.032 2.431) 5.841 6.901 ( 1.699 5.032 2.431) 5.841 7.121 ( -3.479 -4.566 -1.225) 5.870 7.121 ( -3.479 4.566 -1.225) 5.870 7.468 ( -1.836 -1.920 -3.193) 4.154 7.468 ( -1.836 1.920 -3.193) 4.154 7.773 ( -0.519 -1.306 -3.997) 4.237 7.773 ( -0.519 1.306 -3.997) 4.237 7.893 ( -0.585 -0.842 -1.331) 1.680 7.893 ( -0.585 0.842 -1.331) 1.680 8.220 ( -3.016 -0.697 -2.170) 3.780 8.220 ( -3.016 0.697 -2.170) 3.780 8.529 ( 4.262 -0.754 -7.361) 8.539 8.529 ( 4.262 0.754 -7.361) 8.539 8.634 ( 3.217 -1.627 1.337) 3.845 8.634 ( 3.217 1.627 1.337) 3.845 9.008 ( 3.154 -6.013 -3.577) 7.675 9.008 ( 3.154 6.013 -3.577) 7.675 9.229 ( 2.180 -4.329 5.894) 7.631 9.229 ( 2.180 4.329 5.894) 7.631 9.675 ( -3.563 -5.305 2.501) 6.862 9.675 ( -3.563 5.305 2.501) 6.862 9.843 ( -0.819 -2.647 -0.786) 2.880 9.843 ( -0.819 2.647 -0.786) 2.880 10.284 ( -1.646 -1.295 0.645) 2.192 10.284 ( -1.646 1.295 0.645) 2.192 10.380 ( -1.129 -2.303 1.320) 2.885 10.380 ( -1.129 2.303 1.320) 2.885 10.889 ( 3.118 -2.239 -0.207) 3.845 10.889 ( 3.118 2.239 -0.207) 3.845 11.058 ( -2.137 -7.390 3.286) 8.365 11.058 ( -2.137 7.390 3.286) 8.365 11.703 ( 5.997 -1.469 9.813) 11.594 11.703 ( 5.997 1.469 9.813) 11.594 12.104 ( -1.108 -5.340 4.071) 6.805 12.104 ( -1.108 5.340 4.071) 6.805 12.163 ( 0.463 -6.739 -2.537) 7.215 12.163 ( 0.463 6.739 -2.537) 7.215 12.539 ( 3.248 -4.946 -5.157) 7.849 12.539 ( 3.248 4.946 -5.157) 7.849 12.707 ( -4.857 -11.713 5.285) 13.737 12.707 ( -4.857 11.713 5.285) 13.737 13.024 ( 0.863 -11.080 -3.531) 11.661 13.024 ( 0.863 11.080 -3.531) 11.661 14.270 ( -5.198 -10.644 8.114) 14.358 14.270 ( -5.198 10.644 8.114) 14.358 14.731 ( -4.323 -2.822 1.523) 5.383 14.731 ( -4.323 2.822 1.523) 5.383 15.278 ( 2.769 -7.530 -3.322) 8.684 15.278 ( 2.769 7.530 -3.322) 8.684 16.037 ( 4.136 -2.913 -14.029) 14.913 16.037 ( 4.136 2.913 -14.029) 14.913 ======================= Grid point 145 (82/111) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 4.880 -9.087 7.365) 12.673 1.776 ( 4.880 9.087 7.365) 12.674 2.285 ( 9.045 -4.590 11.619) 15.423 2.285 ( 9.045 4.590 11.619) 15.423 2.622 ( 1.800 -2.683 -1.930) 3.763 2.622 ( 1.800 2.683 -1.930) 3.763 2.750 ( -2.177 -2.348 -7.384) 8.048 2.750 ( -2.177 2.348 -7.384) 8.048 3.126 ( -0.695 -3.039 -5.512) 6.333 3.126 ( -0.695 3.039 -5.512) 6.333 3.375 ( -6.788 -5.008 -1.210) 8.522 3.375 ( -6.788 5.008 -1.210) 8.522 3.580 ( -6.919 -2.796 -6.906) 10.168 3.580 ( -6.919 2.796 -6.906) 10.168 3.823 ( 3.443 -2.319 -6.521) 7.730 3.823 ( 3.443 2.319 -6.521) 7.730 3.920 ( 8.071 -4.117 0.191) 9.062 3.920 ( 8.071 4.117 0.191) 9.062 4.228 ( -2.656 -0.717 0.845) 2.877 4.228 ( -2.656 0.717 0.845) 2.877 4.431 ( 1.631 -4.679 2.599) 5.595 4.431 ( 1.631 4.679 2.599) 5.595 4.560 ( 3.559 -5.477 3.243) 7.292 4.560 ( 3.559 5.477 3.243) 7.292 4.585 ( -0.176 -5.848 -4.092) 7.139 4.585 ( -0.176 5.848 -4.092) 7.139 4.940 ( -1.873 -4.657 -1.967) 5.392 4.940 ( -1.873 4.657 -1.967) 5.392 5.149 ( -0.414 -2.744 -2.773) 3.923 5.149 ( -0.414 2.744 -2.773) 3.923 5.331 ( -1.581 -2.100 -1.469) 3.011 5.331 ( -1.581 2.100 -1.469) 3.011 5.423 ( -5.480 -2.481 10.059) 11.720 5.423 ( -5.480 2.481 10.059) 11.720 5.629 ( -5.631 -4.081 -6.893) 9.792 5.629 ( -5.631 4.081 -6.893) 9.792 5.875 ( -6.316 -1.300 3.715) 7.441 5.875 ( -6.316 1.300 3.715) 7.441 6.081 ( -2.372 -5.303 4.934) 7.622 6.081 ( -2.372 5.303 4.934) 7.622 6.317 ( 1.626 -1.778 3.441) 4.201 6.317 ( 1.626 1.778 3.441) 4.201 6.679 ( 2.959 -3.516 -0.121) 4.597 6.679 ( 2.959 3.516 -0.121) 4.597 6.841 ( -5.404 -4.714 -1.885) 7.415 6.841 ( -5.404 4.714 -1.885) 7.415 7.031 ( -3.147 -1.769 -0.576) 3.656 7.031 ( -3.147 1.769 -0.576) 3.656 7.527 ( 4.271 -3.265 -3.363) 6.341 7.527 ( 4.271 3.265 -3.363) 6.341 7.729 ( 0.233 -0.613 0.246) 0.701 7.729 ( 0.233 0.613 0.246) 0.701 7.914 ( 2.874 -0.698 1.415) 3.279 7.914 ( 2.874 0.698 1.415) 3.279 8.186 ( 1.400 -0.802 0.255) 1.633 8.186 ( 1.400 0.802 0.255) 1.633 8.558 ( 4.238 -0.863 -5.188) 6.754 8.558 ( 4.238 0.863 -5.188) 6.754 8.710 ( 2.361 -4.315 1.837) 5.251 8.710 ( 2.361 4.315 1.837) 5.251 9.025 ( 2.579 -3.051 -3.579) 5.364 9.025 ( 2.579 3.051 -3.579) 5.364 9.353 ( 3.977 -6.474 6.214) 9.816 9.353 ( 3.977 6.474 6.214) 9.816 9.621 ( -4.347 -6.511 3.023) 8.392 9.621 ( -4.347 6.511 3.023) 8.392 9.803 ( -2.332 -3.446 -0.875) 4.252 9.803 ( -2.332 3.446 -0.875) 4.252 10.246 ( -1.886 -1.751 -0.611) 2.645 10.246 ( -1.886 1.751 -0.611) 2.645 10.367 ( -0.993 -4.121 0.749) 4.305 10.367 ( -0.993 4.121 0.749) 4.305 10.904 ( 0.550 -3.050 -4.096) 5.136 10.904 ( 0.550 3.050 -4.096) 5.136 11.061 ( -0.733 -7.539 3.553) 8.367 11.061 ( -0.733 7.539 3.553) 8.367 11.836 ( -0.816 -5.938 2.785) 6.609 11.836 ( -0.816 5.938 2.785) 6.609 12.066 ( -0.771 -4.438 1.018) 4.618 12.066 ( -0.771 4.438 1.018) 4.618 12.199 ( 2.575 -3.401 0.065) 4.266 12.199 ( 2.575 3.401 0.065) 4.266 12.587 ( 3.471 -13.384 -2.540) 14.058 12.587 ( 3.471 13.384 -2.540) 14.058 12.693 ( -1.120 -10.032 5.981) 11.734 12.693 ( -1.120 10.032 5.981) 11.734 13.057 ( 3.319 -8.218 2.095) 9.107 13.057 ( 3.319 8.218 2.095) 9.107 14.236 ( -5.892 -11.046 9.142) 15.502 14.236 ( -5.892 11.046 9.142) 15.502 14.618 ( -6.906 -5.788 -1.363) 9.113 14.618 ( -6.906 5.788 -1.363) 9.113 15.295 ( 3.744 -13.250 -6.085) 15.053 15.295 ( 3.744 13.250 -6.085) 15.053 15.956 ( -0.035 -6.853 -14.045) 15.627 15.956 ( -0.035 6.853 -14.045) 15.627 ======================= Grid point 147 (83/111) ======================= q-point: (-0.62 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 5.670 -11.370 6.880) 14.448 1.956 ( 5.670 11.370 6.880) 14.448 2.443 ( -7.428 -2.104 6.783) 10.277 2.443 ( -7.428 2.104 6.783) 10.277 2.595 ( 9.315 -4.270 -0.417) 10.255 2.595 ( 9.315 4.270 -0.417) 10.255 2.783 ( 1.263 -2.698 -4.108) 5.075 2.783 ( 1.263 2.698 -4.108) 5.075 3.047 ( -1.193 -6.142 -9.101) 11.044 3.047 ( -1.193 6.142 -9.101) 11.044 3.195 ( -5.107 -4.335 -10.602) 12.541 3.195 ( -5.107 4.335 -10.602) 12.541 3.384 ( -3.884 -1.691 -2.426) 4.882 3.384 ( -3.884 1.691 -2.426) 4.882 3.817 ( -0.453 -1.816 -6.798) 7.051 3.817 ( -0.453 1.816 -6.798) 7.051 4.015 ( 2.496 -4.318 -1.404) 5.182 4.015 ( 2.496 4.318 -1.404) 5.182 4.147 ( -5.152 -1.158 -3.959) 6.600 4.147 ( -5.152 1.158 -3.959) 6.600 4.439 ( -0.597 -5.174 0.535) 5.236 4.439 ( -0.597 5.174 0.535) 5.236 4.553 ( 0.440 -7.761 -2.290) 8.104 4.553 ( 0.440 7.761 -2.290) 8.104 4.650 ( 1.734 -6.031 1.101) 6.371 4.650 ( 1.734 6.031 1.101) 6.371 4.924 ( -1.040 -9.955 4.244) 10.872 4.924 ( -1.040 9.955 4.244) 10.872 5.065 ( -2.505 -2.529 -3.362) 4.897 5.065 ( -2.505 2.529 -3.362) 4.897 5.262 ( -5.881 -2.454 0.877) 6.433 5.262 ( -5.881 2.454 0.877) 6.433 5.387 ( -2.835 -4.112 5.140) 7.167 5.387 ( -2.835 4.112 5.140) 7.167 5.614 ( 4.942 -5.232 -0.448) 7.211 5.614 ( 4.942 5.232 -0.448) 7.211 5.795 ( -4.706 -0.821 3.405) 5.866 5.795 ( -4.706 0.821 3.405) 5.866 6.089 ( -2.315 -4.920 6.600) 8.551 6.089 ( -2.315 4.920 6.600) 8.551 6.321 ( -2.448 -5.520 -1.806) 6.302 6.321 ( -2.448 5.520 -1.806) 6.302 6.657 ( -0.380 -2.865 -3.602) 4.618 6.657 ( -0.380 2.865 -3.602) 4.618 6.823 ( -0.087 -1.177 5.835) 5.953 6.823 ( -0.087 1.177 5.835) 5.953 6.988 ( 0.416 -8.287 -2.989) 8.819 6.988 ( 0.416 8.287 -2.989) 8.819 7.483 ( -0.562 -4.174 -8.727) 9.690 7.483 ( -0.562 4.174 -8.727) 9.690 7.777 ( 2.427 -1.274 -0.684) 2.825 7.777 ( 2.427 1.274 -0.684) 2.825 8.010 ( 3.834 -2.321 2.162) 4.976 8.010 ( 3.834 2.321 2.162) 4.976 8.294 ( 6.473 -1.706 5.575) 8.711 8.294 ( 6.473 1.706 5.575) 8.711 8.593 ( 2.332 -1.821 -3.378) 4.491 8.593 ( 2.332 1.821 -3.378) 4.491 8.747 ( 0.860 -6.926 0.229) 6.983 8.747 ( 0.860 6.926 0.229) 6.983 9.078 ( 4.907 -0.467 0.342) 4.941 9.078 ( 4.907 0.467 0.342) 4.941 9.451 ( -0.237 -7.225 6.625) 9.806 9.451 ( -0.237 7.225 6.625) 9.806 9.573 ( -2.691 -7.113 3.451) 8.352 9.573 ( -2.691 7.113 3.451) 8.352 9.754 ( -1.539 -2.004 -0.707) 2.624 9.754 ( -1.539 2.004 -0.707) 2.624 10.203 ( -1.284 -1.872 -2.810) 3.613 10.203 ( -1.284 1.872 -2.810) 3.613 10.361 ( -0.382 -4.900 1.342) 5.095 10.361 ( -0.382 4.900 1.342) 5.095 10.844 ( -2.191 -2.612 -6.384) 7.237 10.844 ( -2.191 2.612 -6.384) 7.237 11.091 ( 0.705 -8.065 3.543) 8.838 11.091 ( 0.705 8.065 3.543) 8.838 11.710 ( -9.372 -3.224 -2.685) 10.269 11.710 ( -9.372 3.224 -2.685) 10.269 12.118 ( 2.215 -7.563 -2.413) 8.241 12.118 ( 2.215 7.563 -2.413) 8.241 12.205 ( -0.298 -3.952 0.290) 3.974 12.205 ( -0.298 3.952 0.290) 3.974 12.650 ( 1.799 -9.662 7.135) 12.146 12.650 ( 1.799 9.662 7.135) 12.146 12.742 ( 1.693 -8.169 1.229) 8.432 12.742 ( 1.693 8.169 1.229) 8.432 13.178 ( 5.014 -5.230 6.273) 9.583 13.178 ( 5.014 5.230 6.273) 9.583 14.192 ( -7.356 -9.694 9.825) 15.640 14.192 ( -7.356 9.694 9.825) 15.640 14.475 ( -4.090 -6.867 -4.471) 9.158 14.475 ( -4.090 6.867 -4.471) 9.158 15.337 ( 6.490 -16.035 -6.855) 18.607 15.337 ( 6.490 16.035 -6.855) 18.607 15.804 ( -2.941 -8.666 -14.188) 16.883 15.804 ( -2.941 8.666 -14.188) 16.883 ======================= Grid point 149 (84/111) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -8.500 -6.069 7.484) 12.849 1.999 ( -8.500 6.069 7.484) 12.849 2.421 ( -1.840 -8.434 -2.589) 9.012 2.421 ( -1.840 8.434 -2.589) 9.012 2.521 ( -11.341 -3.128 1.814) 11.904 2.521 ( -11.341 3.128 1.814) 11.904 2.809 ( 4.077 -5.395 -4.453) 8.096 2.809 ( 4.077 5.395 -4.453) 8.096 2.988 ( 2.029 -8.843 -10.352) 13.765 2.988 ( 2.029 8.843 -10.352) 13.765 3.058 ( 4.450 -5.887 -6.995) 10.168 3.058 ( 4.450 5.887 -6.995) 10.168 3.436 ( 4.549 -1.811 1.574) 5.143 3.436 ( 4.549 1.811 1.574) 5.143 3.676 ( -6.046 -0.613 -5.824) 8.417 3.676 ( -6.046 0.613 -5.824) 8.417 3.987 ( -3.637 -2.909 -3.857) 6.047 3.987 ( -3.637 2.909 -3.857) 6.047 4.051 ( -0.291 -3.506 -1.299) 3.750 4.051 ( -0.291 3.506 -1.299) 3.750 4.362 ( -6.543 -6.602 1.698) 9.449 4.362 ( -6.543 6.602 1.698) 9.449 4.550 ( 0.947 -5.419 -2.225) 5.934 4.550 ( 0.947 5.419 -2.225) 5.934 4.714 ( 3.835 -6.628 0.195) 7.659 4.714 ( 3.835 6.628 0.195) 7.659 4.925 ( -4.270 -8.283 6.291) 11.244 4.925 ( -4.270 8.283 6.291) 11.244 5.071 ( 5.379 -5.576 -2.844) 8.253 5.071 ( 5.379 5.576 -2.844) 8.253 5.160 ( -5.648 -1.113 2.822) 6.411 5.160 ( -5.648 1.113 2.822) 6.411 5.392 ( -0.184 -3.360 1.977) 3.902 5.392 ( -0.184 3.360 1.977) 3.902 5.681 ( -0.393 -2.682 2.330) 3.574 5.681 ( -0.393 2.682 2.330) 3.574 5.799 ( 2.733 -5.632 3.322) 7.087 5.799 ( 2.733 5.632 3.322) 7.087 6.088 ( -2.855 -3.185 4.436) 6.162 6.088 ( -2.855 3.185 4.436) 6.162 6.232 ( -2.623 -5.702 -3.769) 7.320 6.232 ( -2.623 5.702 -3.769) 7.320 6.676 ( 3.913 -1.962 -0.617) 4.421 6.676 ( 3.913 1.962 -0.617) 4.421 6.848 ( -0.083 -3.097 0.448) 3.131 6.848 ( -0.083 3.097 0.448) 3.131 7.005 ( 1.863 -7.309 0.276) 7.548 7.005 ( 1.863 7.309 0.276) 7.548 7.415 ( 1.925 -4.612 -9.339) 10.592 7.415 ( 1.925 4.612 -9.339) 10.592 7.801 ( 1.209 -1.541 -1.442) 2.432 7.801 ( 1.209 1.541 -1.442) 2.432 8.074 ( 2.073 -1.763 -0.292) 2.737 8.074 ( 2.073 1.763 -0.292) 2.737 8.453 ( 3.225 -4.607 4.443) 7.167 8.453 ( 3.225 4.607 4.443) 7.167 8.578 ( 0.624 -4.068 -3.802) 5.603 8.578 ( 0.624 4.068 -3.802) 5.603 8.774 ( 2.021 -6.331 -0.332) 6.654 8.774 ( 2.021 6.331 -0.332) 6.654 9.209 ( 4.618 -2.983 5.800) 7.992 9.209 ( 4.618 2.983 5.800) 7.992 9.469 ( -2.550 -6.060 5.988) 8.893 9.469 ( -2.550 6.060 5.988) 8.893 9.585 ( 0.208 -5.388 5.177) 7.475 9.585 ( 0.208 5.388 5.177) 7.475 9.742 ( 0.905 -1.642 -0.569) 1.960 9.742 ( 0.905 1.642 -0.569) 1.960 10.131 ( -2.092 -2.077 -7.382) 7.949 10.131 ( -2.092 2.077 -7.382) 7.949 10.376 ( -0.163 -5.047 3.149) 5.951 10.376 ( -0.163 5.047 3.149) 5.951 10.714 ( -4.464 -0.803 -7.936) 9.141 10.714 ( -4.464 0.803 -7.936) 9.141 11.143 ( 0.609 -8.395 4.774) 9.677 11.143 ( 0.609 8.395 4.774) 9.677 11.497 ( -9.799 -3.176 -0.449) 10.311 11.497 ( -9.799 3.176 -0.449) 10.311 12.033 ( -4.209 -2.983 -5.447) 7.503 12.033 ( -4.209 2.983 -5.447) 7.503 12.268 ( 2.841 -4.435 2.678) 5.909 12.268 ( 2.841 4.435 2.678) 5.909 12.740 ( 0.638 -7.738 3.331) 8.449 12.740 ( 0.638 7.738 3.331) 8.449 12.774 ( 1.096 -9.006 3.525) 9.733 12.774 ( 1.096 9.006 3.525) 9.733 13.341 ( 5.015 -3.530 8.046) 10.117 13.341 ( 5.015 3.530 8.046) 10.117 14.112 ( -7.672 -6.687 6.811) 12.246 14.112 ( -7.672 6.687 6.811) 12.246 14.414 ( 0.762 -5.744 -2.616) 6.358 14.414 ( 0.762 5.744 -2.616) 6.358 15.431 ( 9.274 -17.305 -8.057) 21.222 15.431 ( 9.274 17.305 -8.057) 21.222 15.610 ( -4.624 -9.168 -12.792) 16.403 15.610 ( -4.624 9.168 -12.792) 16.403 ======================= Grid point 151 (85/111) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -12.770 -6.209 8.297) 16.446 1.843 ( -12.770 6.209 8.297) 16.446 2.084 ( -17.834 -6.234 2.473) 19.053 2.084 ( -17.834 6.234 2.473) 19.053 2.570 ( 0.600 -10.999 -6.275) 12.678 2.570 ( 0.600 10.999 -6.275) 12.678 2.740 ( -0.113 -4.051 -0.613) 4.099 2.740 ( -0.113 4.051 -0.613) 4.099 2.980 ( -0.412 -7.954 -0.256) 7.969 2.980 ( -0.412 7.954 -0.256) 7.969 3.185 ( 6.830 -3.067 -4.102) 8.538 3.185 ( 6.830 3.067 -4.102) 8.538 3.431 ( 0.280 -0.167 0.249) 0.410 3.431 ( 0.280 0.167 0.249) 0.410 3.633 ( 1.368 -4.178 0.371) 4.412 3.633 ( 1.368 4.178 0.371) 4.412 3.894 ( -0.791 -2.710 -4.372) 5.204 3.894 ( -0.791 2.710 -4.372) 5.204 4.056 ( 1.024 -5.062 -1.323) 5.331 4.056 ( 1.024 5.062 -1.323) 5.331 4.292 ( -1.016 -4.040 -0.608) 4.210 4.292 ( -1.016 4.040 -0.608) 4.210 4.547 ( -0.490 -4.372 0.293) 4.409 4.547 ( -0.490 4.372 0.293) 4.409 4.749 ( 0.177 -4.335 -0.974) 4.446 4.749 ( 0.177 4.335 -0.974) 4.446 4.901 ( -2.935 -5.957 6.570) 9.342 4.901 ( -2.935 5.957 6.570) 9.342 5.068 ( -4.263 -2.128 2.542) 5.400 5.068 ( -4.263 2.128 2.542) 5.400 5.190 ( 6.074 -3.664 -3.182) 7.775 5.190 ( 6.074 3.664 -3.182) 7.775 5.402 ( 0.077 -1.115 1.657) 1.999 5.402 ( 0.077 1.115 1.657) 1.999 5.710 ( 2.201 -3.950 1.247) 4.690 5.710 ( 2.201 3.950 1.247) 4.690 5.863 ( -0.546 -5.039 4.370) 6.693 5.863 ( -0.546 5.039 4.370) 6.693 6.059 ( -2.423 -2.646 2.145) 4.180 6.059 ( -2.423 2.646 2.145) 4.180 6.201 ( 2.041 -3.297 -1.825) 4.285 6.201 ( 2.041 3.297 -1.825) 4.285 6.764 ( 3.385 -3.525 -0.344) 4.899 6.764 ( 3.385 3.525 -0.344) 4.899 6.861 ( 3.345 -7.341 -1.287) 8.170 6.861 ( 3.345 7.341 -1.287) 8.170 7.035 ( 0.927 -4.511 0.394) 4.622 7.035 ( 0.927 4.511 0.394) 4.622 7.403 ( 4.650 -6.077 -8.330) 11.311 7.403 ( 4.650 6.077 -8.330) 11.311 7.801 ( 0.442 -1.647 -2.395) 2.940 7.801 ( 0.442 1.647 -2.395) 2.940 8.091 ( 0.486 -1.307 -1.441) 2.005 8.091 ( 0.486 1.307 -1.441) 2.005 8.473 ( -1.698 -2.578 2.653) 4.071 8.473 ( -1.698 2.578 2.653) 4.071 8.593 ( 2.736 -3.605 -4.375) 6.295 8.593 ( 2.736 3.605 -4.375) 6.295 8.799 ( 0.844 -6.126 -1.074) 6.276 8.799 ( 0.844 6.126 -1.074) 6.276 9.302 ( -1.073 -5.626 6.020) 8.309 9.302 ( -1.073 5.626 6.020) 8.309 9.417 ( -6.449 -6.749 0.220) 9.337 9.417 ( -6.449 6.749 0.220) 9.337 9.696 ( 4.932 -0.973 3.798) 6.300 9.696 ( 4.932 0.973 3.798) 6.300 9.789 ( 3.901 -1.000 4.556) 6.081 9.789 ( 3.901 1.000 4.556) 6.081 10.002 ( -2.456 -2.120 -10.031) 10.543 10.002 ( -2.456 2.120 -10.031) 10.543 10.395 ( -1.511 -3.989 3.935) 5.803 10.395 ( -1.511 3.989 3.935) 5.803 10.575 ( -2.935 -1.602 -4.532) 5.632 10.575 ( -2.935 1.602 -4.532) 5.632 11.159 ( -3.248 -3.217 3.303) 5.640 11.159 ( -3.248 3.217 3.303) 5.640 11.377 ( -4.941 -1.632 7.592) 9.204 11.377 ( -4.941 1.632 7.592) 9.204 11.914 ( -4.242 -3.943 -2.180) 6.188 11.914 ( -4.242 3.943 -2.180) 6.188 12.315 ( 0.458 -3.899 0.005) 3.926 12.315 ( 0.458 3.899 0.005) 3.926 12.746 ( 0.879 -3.170 -2.015) 3.858 12.746 ( 0.879 3.170 -2.015) 3.858 12.838 ( 0.662 -1.993 4.796) 5.236 12.838 ( 0.662 1.993 4.796) 5.236 13.480 ( 1.979 -1.170 5.374) 5.845 13.480 ( 1.979 1.170 5.374) 5.845 14.051 ( -3.135 -6.273 6.558) 9.601 14.051 ( -3.135 6.273 6.558) 9.601 14.444 ( 2.856 -4.527 0.847) 5.419 14.444 ( 2.856 4.527 0.847) 5.419 15.369 ( -4.959 -12.029 -12.800) 18.252 15.369 ( -4.959 12.029 -12.800) 18.252 15.602 ( 11.042 -17.743 -6.662) 21.934 15.602 ( 11.042 17.743 -6.662) 21.934 ======================= Grid point 153 (86/111) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -10.168 -6.730 11.155) 16.526 1.692 ( -10.168 6.730 11.155) 16.526 1.893 ( -10.245 -8.259 16.080) 20.778 1.893 ( -10.245 8.259 16.080) 20.778 2.445 ( -2.734 -11.304 -7.391) 13.779 2.445 ( -2.734 11.304 -7.391) 13.779 2.757 ( -3.975 -2.035 4.706) 6.488 2.757 ( -3.975 2.035 4.706) 6.488 2.960 ( 0.161 -8.684 2.516) 9.043 2.960 ( 0.161 8.684 2.516) 9.043 3.242 ( 3.858 -5.268 -1.449) 6.688 3.242 ( 3.858 5.268 -1.449) 6.688 3.523 ( 3.237 -4.108 3.822) 6.478 3.523 ( 3.237 4.108 3.822) 6.478 3.686 ( 3.807 -6.960 1.464) 8.067 3.686 ( 3.807 6.960 1.464) 8.067 3.853 ( 0.446 -6.723 -9.594) 11.724 3.853 ( 0.446 6.723 -9.594) 11.724 4.068 ( 2.257 -3.490 -0.272) 4.165 4.068 ( 2.257 3.490 -0.272) 4.165 4.299 ( 2.569 -2.745 -1.213) 3.951 4.299 ( 2.569 2.745 -1.213) 3.951 4.531 ( -3.716 -3.385 4.610) 6.820 4.531 ( -3.716 3.385 4.610) 6.820 4.741 ( 1.300 -6.577 -1.675) 6.910 4.741 ( 1.300 6.577 -1.675) 6.910 4.930 ( 0.844 -3.447 2.329) 4.244 4.930 ( 0.844 3.447 2.329) 4.244 5.017 ( -2.962 -0.182 2.513) 3.889 5.017 ( -2.962 0.182 2.513) 3.889 5.227 ( 1.122 -2.950 -3.153) 4.461 5.227 ( 1.122 2.950 -3.153) 4.461 5.467 ( 5.528 -1.179 1.306) 5.802 5.467 ( 5.528 1.179 1.306) 5.802 5.741 ( 0.291 -4.393 -2.393) 5.011 5.741 ( 0.291 4.393 -2.393) 5.011 5.892 ( 0.580 -6.017 5.447) 8.137 5.892 ( 0.580 6.017 5.447) 8.137 6.039 ( -2.881 -2.362 4.837) 6.106 6.039 ( -2.881 2.362 4.837) 6.106 6.255 ( 3.575 -2.600 -0.328) 4.433 6.255 ( 3.575 2.600 -0.328) 4.433 6.760 ( -0.804 -2.492 -2.968) 3.957 6.760 ( -0.804 2.492 -2.968) 3.957 6.918 ( -0.937 -8.165 0.506) 8.234 6.918 ( -0.937 8.165 0.506) 8.234 7.086 ( 5.210 -4.064 -0.551) 6.630 7.086 ( 5.210 4.064 -0.551) 6.630 7.464 ( 8.604 -5.814 -6.368) 12.182 7.464 ( 8.604 5.814 -6.368) 12.182 7.779 ( 0.266 -1.517 -3.753) 4.057 7.779 ( 0.266 1.517 -3.753) 4.057 8.071 ( -0.802 -1.170 -2.279) 2.684 8.071 ( -0.802 1.170 -2.279) 2.684 8.474 ( -1.745 -2.454 2.841) 4.140 8.474 ( -1.745 2.454 2.841) 4.140 8.578 ( 1.288 -1.302 -6.656) 6.903 8.578 ( 1.288 1.302 -6.656) 6.903 8.792 ( -0.013 -6.900 -1.724) 7.112 8.792 ( -0.013 6.900 -1.724) 7.112 9.162 ( -11.883 -7.951 -6.937) 15.892 9.162 ( -11.883 7.951 -6.937) 15.892 9.332 ( -4.173 -4.965 4.768) 8.050 9.332 ( -4.173 4.965 4.768) 8.050 9.755 ( 1.867 -2.260 -1.762) 3.420 9.755 ( 1.867 2.260 -1.762) 3.420 9.866 ( -1.318 -3.079 -2.822) 4.379 9.866 ( -1.318 3.079 -2.822) 4.379 10.026 ( 7.921 -1.493 6.630) 10.437 10.026 ( 7.921 1.493 6.630) 10.437 10.379 ( -2.135 -0.673 2.115) 3.080 10.379 ( -2.135 0.673 2.115) 3.080 10.555 ( 1.814 -2.342 1.800) 3.467 10.555 ( 1.814 2.343 1.800) 3.467 11.114 ( -2.645 -6.983 2.508) 7.877 11.114 ( -2.645 6.983 2.508) 7.877 11.387 ( -4.677 -8.969 13.068) 16.525 11.387 ( -4.677 8.969 13.068) 16.525 11.849 ( -2.162 -5.207 2.601) 6.209 11.849 ( -2.162 5.207 2.601) 6.209 12.293 ( -1.072 -5.228 -2.580) 5.928 12.293 ( -1.072 5.228 -2.580) 5.928 12.735 ( -0.165 -4.006 -3.631) 5.409 12.735 ( -0.165 4.006 -3.631) 5.409 12.879 ( 0.981 -1.150 1.371) 2.041 12.879 ( 0.981 1.150 1.371) 2.041 13.447 ( -6.207 -1.967 -3.578) 7.430 13.447 ( -6.207 1.967 -3.578) 7.430 14.134 ( 2.899 -7.049 10.763) 13.188 14.134 ( 2.899 7.049 10.763) 13.188 14.537 ( 4.744 -2.800 3.922) 6.763 14.537 ( 4.744 2.800 3.922) 6.763 15.191 ( -3.576 -9.789 -6.693) 12.386 15.191 ( -3.576 9.789 -6.693) 12.386 15.771 ( 12.916 -17.427 -9.344) 23.619 15.771 ( 12.916 17.427 -9.344) 23.619 ======================= Grid point 155 (87/111) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -6.008 -10.635 11.713) 16.924 1.638 ( -6.008 10.635 11.713) 16.924 1.889 ( -7.372 -10.132 17.429) 21.466 1.889 ( -7.372 10.132 17.429) 21.466 2.398 ( 2.571 -13.142 -4.669) 14.182 2.398 ( 2.571 13.142 -4.669) 14.182 2.777 ( 0.527 -3.036 17.170) 17.445 2.777 ( 0.527 3.036 17.170) 17.445 3.025 ( 4.524 -6.743 -0.323) 8.126 3.025 ( 4.524 6.743 -0.323) 8.126 3.305 ( 3.728 -5.421 -1.683) 6.791 3.305 ( 3.728 5.421 -1.683) 6.791 3.592 ( -1.258 -1.771 2.288) 3.155 3.592 ( -1.258 1.771 2.288) 3.155 3.680 ( -3.874 -3.735 -1.165) 5.506 3.680 ( -3.874 3.735 -1.165) 5.506 3.819 ( 4.627 -3.575 -3.831) 6.991 3.819 ( 4.627 3.575 -3.831) 6.991 4.125 ( 3.498 -3.862 -2.527) 5.792 4.125 ( 3.498 3.862 -2.527) 5.792 4.374 ( 2.206 -6.246 1.005) 6.700 4.374 ( 2.206 6.246 1.005) 6.700 4.502 ( -1.242 -2.699 6.308) 6.973 4.502 ( -1.242 2.699 6.308) 6.973 4.758 ( 0.827 -5.250 -1.564) 5.540 4.758 ( 0.827 5.250 -1.564) 5.540 4.923 ( -0.950 -4.095 -2.871) 5.091 4.923 ( -0.950 4.095 -2.871) 5.091 5.027 ( 2.203 -1.675 1.299) 3.057 5.027 ( 2.203 1.675 1.299) 3.057 5.228 ( 2.060 -3.596 -2.504) 4.842 5.228 ( 2.060 3.596 -2.504) 4.842 5.616 ( 7.809 -0.871 0.435) 7.869 5.616 ( 7.809 0.871 0.435) 7.869 5.696 ( -2.915 -2.043 0.844) 3.659 5.696 ( -2.915 2.043 0.844) 3.659 5.954 ( 0.314 -3.630 3.668) 5.170 5.954 ( 0.314 3.630 3.668) 5.170 6.041 ( -0.315 -4.316 4.626) 6.334 6.041 ( -0.315 4.316 4.626) 6.334 6.311 ( 0.537 -4.071 4.096) 5.800 6.311 ( 0.537 4.071 4.096) 5.800 6.726 ( -0.970 -5.173 -0.043) 5.264 6.726 ( -0.970 5.173 -0.043) 5.264 6.826 ( -5.824 -6.887 -3.953) 9.848 6.826 ( -5.824 6.887 -3.953) 9.848 7.160 ( 2.410 -6.222 -1.709) 6.888 7.160 ( 2.410 6.222 -1.709) 6.888 7.608 ( 8.401 -3.432 -4.636) 10.191 7.608 ( 8.401 3.432 -4.636) 10.191 7.769 ( 3.241 -1.871 -4.406) 5.781 7.769 ( 3.241 1.871 -4.406) 5.781 8.024 ( -1.861 -1.490 -2.808) 3.683 8.024 ( -1.861 1.490 -2.808) 3.683 8.383 ( -7.380 -2.670 -1.123) 7.928 8.383 ( -7.380 2.670 -1.123) 7.928 8.570 ( 3.694 -0.192 -8.456) 9.230 8.570 ( 3.694 0.192 -8.456) 9.230 8.756 ( -5.472 -4.096 -1.397) 6.976 8.756 ( -5.472 4.096 -1.397) 6.976 8.907 ( -3.536 -8.171 -4.658) 10.049 8.907 ( -3.536 8.171 -4.658) 10.049 9.273 ( -5.476 -5.257 3.786) 8.483 9.273 ( -5.476 5.257 3.786) 8.483 9.751 ( -1.090 -4.355 -0.685) 4.541 9.751 ( -1.090 4.355 -0.685) 4.541 9.840 ( 0.497 -1.245 -0.873) 1.600 9.840 ( 0.497 1.245 -0.873) 1.600 10.202 ( 4.574 -3.454 3.985) 6.981 10.202 ( 4.574 3.454 3.985) 6.981 10.373 ( -0.132 -2.874 1.698) 3.341 10.373 ( -0.132 2.874 1.698) 3.341 10.652 ( 4.831 -1.228 4.237) 6.542 10.652 ( 4.831 1.228 4.237) 6.542 11.109 ( -0.892 -8.150 2.626) 8.609 11.109 ( -0.892 8.150 2.626) 8.609 11.410 ( -4.138 -9.956 14.377) 17.971 11.410 ( -4.138 9.956 14.377) 17.971 11.886 ( 1.378 -7.555 7.810) 10.953 11.886 ( 1.378 7.555 7.810) 10.953 12.247 ( -0.913 -6.339 -3.433) 7.267 12.247 ( -0.913 6.339 -3.433) 7.267 12.670 ( -1.683 -2.703 -6.623) 7.348 12.670 ( -1.683 2.703 -6.623) 7.348 12.886 ( -1.401 -3.493 -0.455) 3.791 12.886 ( -1.401 3.493 -0.455) 3.791 13.237 ( -8.844 -7.105 -6.463) 13.056 13.237 ( -8.844 7.105 -6.463) 13.056 14.259 ( 0.104 -7.814 8.792) 11.763 14.259 ( 0.104 7.814 8.792) 11.763 14.676 ( 4.391 -0.761 4.846) 6.583 14.676 ( 4.391 0.761 4.846) 6.583 15.147 ( 2.148 -5.363 -0.183) 5.780 15.147 ( 2.148 5.363 -0.183) 5.780 15.929 ( 12.374 -12.654 -12.157) 21.472 15.929 ( 12.374 12.654 -12.157) 21.472 ======================= Grid point 165 (88/111) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 6.234 0.000 1.063) 6.324 1.723 ( -8.949 0.000 -2.547) 9.304 2.093 ( -5.314 0.000 18.963) 19.693 2.144 ( -0.128 0.000 12.085) 12.086 2.363 ( 2.525 0.000 -4.346) 5.026 2.457 ( 4.161 0.000 -14.762) 15.337 2.984 ( 5.503 0.000 1.557) 5.719 2.989 ( -1.766 0.000 -1.445) 2.282 3.249 ( 2.224 0.000 -1.380) 2.617 3.271 ( -4.240 0.000 -3.775) 5.677 3.401 ( -1.640 0.000 9.853) 9.988 3.427 ( -4.707 0.000 3.329) 5.765 3.515 ( -0.561 0.000 -0.470) 0.732 3.533 ( 6.654 0.000 2.116) 6.982 3.682 ( -1.308 0.000 -1.432) 1.939 3.708 ( 8.670 0.000 -3.861) 9.491 3.832 ( 3.119 0.000 8.299) 8.866 3.899 ( 2.294 0.000 3.131) 3.881 4.004 ( -1.460 0.000 19.142) 19.198 4.137 ( 4.764 0.000 1.299) 4.938 4.259 ( -3.500 0.000 -10.301) 10.879 4.330 ( -10.351 0.000 2.513) 10.651 4.403 ( 0.533 0.000 -8.441) 8.457 4.510 ( 6.100 0.000 -8.213) 10.230 4.796 ( -2.764 0.000 -3.935) 4.809 4.825 ( -1.229 0.000 -3.129) 3.362 4.908 ( -4.844 0.000 2.703) 5.547 4.985 ( 7.447 0.000 -4.045) 8.475 5.131 ( 0.131 0.000 5.063) 5.065 5.149 ( -0.488 0.000 -1.931) 1.991 5.167 ( 5.816 0.000 -1.970) 6.141 5.281 ( 0.655 0.000 -8.489) 8.514 5.587 ( -1.465 0.000 4.670) 4.895 5.614 ( 4.261 0.000 2.160) 4.777 5.824 ( 0.833 0.000 6.355) 6.410 5.902 ( 3.039 0.000 -1.977) 3.625 6.020 ( -5.266 0.000 9.503) 10.865 6.059 ( -4.373 0.000 2.572) 5.073 6.086 ( 0.151 0.000 -1.637) 1.644 6.216 ( -3.207 0.000 13.286) 13.668 6.220 ( 2.049 0.000 -7.044) 7.337 6.355 ( 3.089 0.000 -1.787) 3.569 6.562 ( -7.525 0.000 -1.225) 7.625 6.610 ( -1.567 0.000 -7.305) 7.471 6.903 ( 0.315 0.000 10.377) 10.382 6.909 ( 9.039 0.000 7.355) 11.653 7.248 ( 1.290 0.000 2.371) 2.699 7.278 ( -4.206 0.000 -5.479) 6.908 7.458 ( -1.550 0.000 -4.965) 5.202 7.513 ( -3.360 0.000 -8.043) 8.717 7.737 ( 0.109 0.000 -2.174) 2.177 7.769 ( 1.451 0.000 -5.043) 5.248 7.929 ( -2.384 0.000 2.494) 3.450 7.981 ( -1.235 0.000 -2.406) 2.705 8.194 ( -1.830 0.000 0.267) 1.850 8.225 ( 2.586 0.000 -3.755) 4.559 8.364 ( 1.517 0.000 0.003) 1.517 8.410 ( 0.549 0.000 -4.458) 4.492 8.543 ( -2.299 0.000 1.072) 2.536 8.588 ( 5.171 0.000 -2.715) 5.840 8.772 ( -5.431 0.000 3.454) 6.436 8.842 ( 3.574 0.000 -3.320) 4.878 9.314 ( -2.181 0.000 0.954) 2.380 9.319 ( -0.636 0.000 0.799) 1.021 9.781 ( -2.046 0.000 2.746) 3.424 9.826 ( 0.676 0.000 -1.580) 1.719 9.912 ( -3.686 0.000 0.763) 3.764 9.914 ( 3.819 0.000 0.584) 3.864 10.154 ( 0.829 0.000 2.070) 2.229 10.198 ( -0.869 0.000 -2.121) 2.292 10.554 ( 2.810 0.000 1.290) 3.091 10.558 ( -2.603 0.000 1.076) 2.817 10.773 ( -2.834 0.000 2.089) 3.520 10.773 ( 5.423 0.000 1.659) 5.671 10.872 ( 2.710 0.000 3.573) 4.485 10.934 ( -1.376 0.000 -2.589) 2.932 11.778 ( 6.735 0.000 10.931) 12.839 11.898 ( -2.363 0.000 2.082) 3.149 11.967 ( 3.824 0.000 6.346) 7.409 12.122 ( -9.401 0.000 -4.806) 10.558 12.258 ( -0.543 0.000 0.600) 0.809 12.271 ( -0.894 0.000 6.276) 6.340 12.373 ( 5.112 0.000 -6.568) 8.323 12.452 ( -4.518 0.000 -9.000) 10.070 12.671 ( 3.201 0.000 -0.056) 3.202 12.686 ( -4.845 0.000 -1.425) 5.050 13.580 ( -4.027 0.000 1.683) 4.364 13.610 ( 1.737 0.000 -1.555) 2.331 13.904 ( -3.163 0.000 2.906) 4.295 13.980 ( 2.895 0.000 -4.705) 5.524 14.699 ( -2.205 0.000 5.059) 5.519 14.767 ( 1.105 0.000 -1.217) 1.644 15.255 ( 3.790 0.000 3.304) 5.028 15.257 ( -4.169 0.000 3.414) 5.389 15.877 ( 8.683 0.000 -2.806) 9.125 15.935 ( 0.727 0.000 -9.019) 9.048 ======================= Grid point 166 (89/111) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -6.712 0.000 1.215) 6.821 1.875 ( 8.082 0.000 2.464) 8.450 2.218 ( 3.160 0.000 13.620) 13.982 2.267 ( 3.563 0.000 7.714) 8.497 2.444 ( 7.921 0.000 -15.210) 17.150 2.453 ( 11.139 0.000 -7.322) 13.330 2.914 ( -5.460 0.000 0.362) 5.472 3.016 ( -7.497 0.000 2.292) 7.839 3.099 ( -7.542 0.000 -3.755) 8.425 3.166 ( -0.566 0.000 -1.844) 1.929 3.345 ( -5.410 0.000 1.563) 5.632 3.514 ( 0.957 0.000 0.104) 0.963 3.553 ( 3.775 0.000 0.537) 3.813 3.568 ( -6.346 0.000 -2.678) 6.888 3.718 ( 10.520 0.000 -4.086) 11.286 3.771 ( -0.062 0.000 -10.874) 10.874 3.836 ( -1.315 0.000 2.800) 3.093 3.886 ( -2.189 0.000 -6.964) 7.300 4.086 ( -3.104 0.000 -5.312) 6.152 4.131 ( -3.487 0.000 8.057) 8.779 4.243 ( 7.084 0.000 9.819) 12.107 4.327 ( 1.056 0.000 -14.152) 14.191 4.353 ( 4.382 0.000 8.623) 9.672 4.605 ( 4.973 0.000 -2.239) 5.453 4.703 ( -6.292 0.000 4.340) 7.644 4.778 ( -4.096 0.000 2.673) 4.891 4.858 ( 1.521 0.000 -0.939) 1.787 4.999 ( -3.942 0.000 -5.514) 6.778 5.145 ( 4.401 0.000 -5.042) 6.693 5.154 ( -1.511 0.000 3.493) 3.806 5.216 ( 0.832 0.000 -5.659) 5.720 5.217 ( 1.210 0.000 -4.132) 4.305 5.582 ( -1.464 0.000 -5.294) 5.492 5.652 ( 1.360 0.000 -0.238) 1.380 5.762 ( -10.524 0.000 -1.008) 10.573 5.831 ( -2.985 0.000 -3.029) 4.252 5.973 ( -9.712 0.000 13.711) 16.802 6.052 ( -1.401 0.000 4.971) 5.164 6.077 ( -4.330 0.000 0.760) 4.396 6.186 ( 3.987 0.000 -4.226) 5.810 6.273 ( 1.019 0.000 9.025) 9.082 6.416 ( 4.167 0.000 -8.288) 9.276 6.515 ( -1.667 0.000 8.686) 8.844 6.648 ( 5.126 0.000 6.635) 8.384 6.838 ( -7.168 0.000 -8.044) 10.775 6.993 ( -1.840 0.000 -7.206) 7.437 7.213 ( -2.989 0.000 1.079) 3.178 7.269 ( -2.187 0.000 2.302) 3.175 7.402 ( -2.832 0.000 1.696) 3.302 7.465 ( 3.608 0.000 5.204) 6.333 7.740 ( 1.411 0.000 -1.018) 1.740 7.746 ( -0.042 0.000 -2.180) 2.181 7.937 ( 0.224 0.000 3.757) 3.763 7.953 ( -0.890 0.000 2.776) 2.915 8.174 ( -0.300 0.000 1.328) 1.362 8.265 ( 3.896 0.000 -3.580) 5.291 8.308 ( -4.590 0.000 -0.464) 4.614 8.388 ( 3.113 0.000 -2.186) 3.804 8.623 ( 5.622 0.000 1.180) 5.744 8.673 ( 4.741 0.000 -5.709) 7.420 8.764 ( 2.415 0.000 2.852) 3.737 8.926 ( 6.562 0.000 -0.669) 6.596 9.330 ( 1.818 0.000 3.156) 3.642 9.346 ( 1.304 0.000 2.959) 3.234 9.746 ( -3.426 0.000 3.033) 4.576 9.771 ( -4.307 0.000 -0.373) 4.323 9.882 ( -0.324 0.000 -0.815) 0.878 9.978 ( 1.478 0.000 0.132) 1.484 10.155 ( -1.532 0.000 -2.406) 2.853 10.172 ( -0.785 0.000 2.365) 2.492 10.489 ( -4.230 0.000 -0.123) 4.232 10.579 ( -1.250 0.000 0.561) 1.370 10.712 ( -2.278 0.000 -2.474) 3.363 10.841 ( 1.725 0.000 -1.620) 2.366 10.902 ( 1.251 0.000 -4.462) 4.634 10.979 ( 4.796 0.000 1.936) 5.172 11.764 ( -5.013 0.000 -7.478) 9.003 11.937 ( -4.517 0.000 -4.228) 6.187 11.981 ( 4.142 0.000 -0.853) 4.229 12.154 ( 4.720 0.000 11.447) 12.382 12.211 ( -4.702 0.000 6.671) 8.161 12.320 ( 1.935 0.000 0.642) 2.039 12.341 ( 0.677 0.000 -3.240) 3.310 12.475 ( 5.949 0.000 1.336) 6.098 12.654 ( 1.812 0.000 0.311) 1.838 12.781 ( 6.614 0.000 2.409) 7.039 13.526 ( -3.316 0.000 4.229) 5.374 13.632 ( 0.611 0.000 0.590) 0.850 13.875 ( -3.156 0.000 3.812) 4.949 13.996 ( 2.532 0.000 -3.736) 4.514 14.662 ( -5.116 0.000 3.354) 6.118 14.724 ( -4.431 0.000 -0.080) 4.431 15.141 ( -9.128 0.000 -0.102) 9.128 15.316 ( 1.452 0.000 -0.700) 1.612 15.848 ( -0.876 0.000 -10.157) 10.195 15.956 ( 4.020 0.000 -7.668) 8.658 ======================= Grid point 167 (90/111) ======================= q-point: ( 0.25 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.515 0.000 4.935) 4.962 2.080 ( 11.009 0.000 2.199) 11.227 2.345 ( 1.631 0.000 -7.287) 7.467 2.364 ( 8.332 0.000 -9.268) 12.463 2.553 ( 9.229 0.000 1.810) 9.404 2.638 ( 12.963 0.000 -6.446) 14.477 2.798 ( -10.302 0.000 9.054) 13.715 2.827 ( -13.463 0.000 8.517) 15.931 2.954 ( -1.933 0.000 -7.654) 7.894 3.117 ( -7.520 0.000 -5.151) 9.114 3.248 ( -6.436 0.000 3.296) 7.231 3.335 ( -2.956 0.000 -18.668) 18.901 3.411 ( -3.409 0.000 -6.082) 6.972 3.616 ( 3.370 0.000 4.794) 5.860 3.706 ( -4.975 0.000 -10.429) 11.555 3.775 ( 2.767 0.000 -5.076) 5.781 3.836 ( -2.948 0.000 2.172) 3.662 3.890 ( 10.283 0.000 -4.967) 11.420 4.046 ( 4.125 0.000 -5.045) 6.517 4.161 ( -3.600 0.000 -1.379) 3.855 4.263 ( 1.649 0.000 3.739) 4.087 4.413 ( 5.380 0.000 0.206) 5.384 4.428 ( -4.891 0.000 5.543) 7.392 4.583 ( -6.111 0.000 0.936) 6.183 4.672 ( -0.374 0.000 5.030) 5.044 4.723 ( -4.115 0.000 2.035) 4.591 4.837 ( -3.824 0.000 -7.085) 8.051 4.958 ( 6.193 0.000 2.858) 6.821 5.132 ( -2.083 0.000 -5.152) 5.557 5.144 ( -0.323 0.000 -5.854) 5.863 5.168 ( -1.259 0.000 0.583) 1.387 5.212 ( 2.585 0.000 -7.251) 7.698 5.502 ( -12.011 0.000 -0.387) 12.017 5.518 ( 3.880 0.000 -5.717) 6.909 5.715 ( 2.088 0.000 3.320) 3.922 5.762 ( -2.701 0.000 -3.853) 4.705 5.899 ( -8.968 0.000 14.354) 16.925 6.004 ( -6.802 0.000 3.696) 7.741 6.038 ( -2.165 0.000 5.817) 6.207 6.216 ( 1.118 0.000 -2.790) 3.005 6.400 ( 2.983 0.000 -11.081) 11.475 6.431 ( 5.588 0.000 8.677) 10.320 6.492 ( -5.349 0.000 -5.376) 7.583 6.712 ( -2.118 0.000 9.068) 9.312 6.752 ( -3.287 0.000 1.549) 3.634 6.879 ( -0.215 0.000 -0.146) 0.260 7.087 ( -8.271 0.000 0.412) 8.281 7.210 ( -2.362 0.000 -3.418) 4.155 7.356 ( -3.784 0.000 -2.867) 4.747 7.532 ( -0.362 0.000 -2.896) 2.918 7.774 ( 2.808 0.000 3.692) 4.639 7.778 ( 3.143 0.000 -0.450) 3.175 7.983 ( 0.542 0.000 3.995) 4.032 8.021 ( 3.138 0.000 3.290) 4.547 8.219 ( 1.698 0.000 4.623) 4.925 8.282 ( 2.405 0.000 3.177) 3.985 8.315 ( 3.815 0.000 -2.392) 4.503 8.484 ( 5.526 0.000 0.243) 5.531 8.675 ( -1.743 0.000 5.823) 6.078 8.702 ( 4.418 0.000 -4.883) 6.585 8.915 ( 10.249 0.000 -1.369) 10.340 9.064 ( 6.871 0.000 3.134) 7.552 9.402 ( 1.573 0.000 3.303) 3.658 9.408 ( 1.267 0.000 5.774) 5.912 9.692 ( -3.186 0.000 -0.241) 3.195 9.721 ( -1.144 0.000 2.535) 2.781 9.851 ( -1.939 0.000 -1.231) 2.297 9.959 ( -3.169 0.000 -0.307) 3.184 10.099 ( -1.854 0.000 -3.235) 3.729 10.168 ( -1.798 0.000 2.471) 3.056 10.422 ( -2.384 0.000 0.446) 2.426 10.539 ( -2.369 0.000 0.405) 2.404 10.646 ( -0.972 0.000 -6.596) 6.667 10.809 ( -1.288 0.000 -7.343) 7.455 10.916 ( 3.780 0.000 -3.105) 4.892 11.069 ( 2.928 0.000 1.861) 3.469 11.620 ( -3.517 0.000 -6.796) 7.653 11.800 ( -8.246 0.000 -9.500) 12.580 11.897 ( 0.955 0.000 -4.948) 5.039 12.213 ( -3.725 0.000 -1.206) 3.916 12.354 ( 4.647 0.000 10.860) 11.812 12.361 ( 2.046 0.000 2.263) 3.051 12.422 ( 4.315 0.000 8.526) 9.556 12.586 ( 3.528 0.000 1.741) 3.935 12.748 ( 6.829 0.000 1.136) 6.923 12.932 ( 5.835 0.000 2.571) 6.376 13.553 ( 0.756 0.000 8.391) 8.425 13.647 ( -0.108 0.000 2.591) 2.593 13.832 ( -5.209 0.000 4.638) 6.974 14.008 ( 1.251 0.000 -2.596) 2.882 14.568 ( -6.376 0.000 0.936) 6.444 14.621 ( -5.706 0.000 0.291) 5.713 14.937 ( -8.553 0.000 -3.392) 9.201 15.298 ( -0.476 0.000 -5.669) 5.689 15.749 ( 0.130 0.000 -10.115) 10.116 15.915 ( -0.748 0.000 -8.186) 8.220 ======================= Grid point 168 (91/111) ======================= q-point: ( 0.38 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 7.712 0.000 5.635) 9.551 2.199 ( -4.689 0.000 -14.783) 15.509 2.326 ( 11.713 0.000 1.628) 11.825 2.436 ( 10.081 0.000 -13.796) 17.087 2.571 ( -9.057 0.000 0.704) 9.084 2.617 ( -15.357 0.000 8.036) 17.332 2.731 ( 3.459 0.000 -15.757) 16.132 2.772 ( -15.425 0.000 -4.822) 16.161 2.827 ( 1.047 0.000 12.475) 12.519 2.940 ( 4.236 0.000 -2.144) 4.748 3.221 ( 2.354 0.000 2.382) 3.349 3.277 ( 6.406 0.000 -12.122) 13.711 3.373 ( 0.946 0.000 -0.737) 1.199 3.558 ( -1.693 0.000 -4.576) 4.879 3.694 ( -4.766 0.000 -2.495) 5.379 3.732 ( 1.413 0.000 -1.958) 2.415 3.774 ( 1.547 0.000 -2.769) 3.172 3.995 ( -0.057 0.000 -0.950) 0.952 4.096 ( 1.860 0.000 -2.738) 3.310 4.154 ( 8.815 0.000 -1.864) 9.010 4.254 ( -7.707 0.000 7.283) 10.604 4.373 ( -1.669 0.000 2.601) 3.090 4.429 ( -8.160 0.000 -0.835) 8.203 4.459 ( -0.011 0.000 -3.410) 3.410 4.594 ( -12.343 0.000 5.746) 13.615 4.740 ( 1.998 0.000 0.340) 2.027 4.778 ( 4.873 0.000 -7.288) 8.767 5.041 ( -2.604 0.000 1.122) 2.835 5.067 ( -1.403 0.000 -5.400) 5.579 5.098 ( 4.300 0.000 -4.018) 5.885 5.179 ( 1.059 0.000 7.961) 8.031 5.205 ( 2.612 0.000 -6.873) 7.353 5.361 ( -2.735 0.000 0.056) 2.735 5.601 ( 4.993 0.000 -1.378) 5.179 5.665 ( -1.896 0.000 -5.208) 5.542 5.716 ( -7.267 0.000 9.511) 11.970 5.880 ( -8.354 0.000 9.432) 12.599 5.953 ( 3.036 0.000 5.087) 5.924 6.057 ( -0.752 0.000 4.098) 4.166 6.185 ( -1.077 0.000 -3.598) 3.756 6.310 ( -3.855 0.000 -8.521) 9.353 6.324 ( -2.551 0.000 -10.204) 10.518 6.600 ( 2.096 0.000 12.470) 12.645 6.678 ( 0.384 0.000 -3.554) 3.575 6.776 ( -3.309 0.000 7.579) 8.270 6.909 ( -1.579 0.000 4.396) 4.671 6.957 ( -4.974 0.000 4.391) 6.635 7.146 ( 0.874 0.000 -7.506) 7.557 7.271 ( 0.449 0.000 -5.507) 5.526 7.440 ( -3.099 0.000 -7.437) 8.057 7.850 ( 4.487 0.000 -0.575) 4.524 7.867 ( 2.212 0.000 3.378) 4.038 8.021 ( 0.549 0.000 2.556) 2.614 8.068 ( 1.189 0.000 -0.657) 1.358 8.266 ( 0.920 0.000 2.260) 2.440 8.346 ( 0.920 0.000 -1.744) 1.972 8.430 ( 4.335 0.000 5.622) 7.099 8.552 ( 3.118 0.000 -3.496) 4.684 8.700 ( -0.906 0.000 7.460) 7.515 8.776 ( 5.277 0.000 -2.030) 5.654 9.096 ( 7.972 0.000 1.682) 8.148 9.252 ( 6.616 0.000 6.514) 9.285 9.444 ( 1.295 0.000 4.275) 4.466 9.498 ( 2.267 0.000 7.389) 7.729 9.661 ( -0.234 0.000 2.167) 2.179 9.741 ( 0.983 0.000 0.792) 1.262 9.804 ( -1.611 0.000 -0.947) 1.869 9.871 ( -5.452 0.000 0.896) 5.525 10.016 ( -3.306 0.000 -5.339) 6.280 10.134 ( -3.083 0.000 -0.922) 3.218 10.385 ( -2.586 0.000 -0.134) 2.589 10.500 ( -1.254 0.000 -3.235) 3.470 10.566 ( -1.277 0.000 -4.603) 4.777 10.685 ( -2.272 0.000 -10.195) 10.445 11.002 ( 6.006 0.000 0.850) 6.065 11.138 ( 1.823 0.000 3.886) 4.293 11.502 ( -3.721 0.000 -5.003) 6.235 11.545 ( -9.489 0.000 -6.669) 11.598 11.920 ( 4.144 0.000 -4.822) 6.358 12.078 ( -6.859 0.000 -2.948) 7.466 12.422 ( 3.004 0.000 4.209) 5.172 12.521 ( 3.519 0.000 5.742) 6.735 12.546 ( 0.878 0.000 7.076) 7.130 12.632 ( 0.762 0.000 -0.605) 0.973 12.910 ( 8.067 0.000 0.845) 8.112 13.025 ( 1.245 0.000 2.016) 2.369 13.664 ( 1.638 0.000 8.523) 8.679 13.688 ( 1.449 0.000 4.489) 4.717 13.765 ( -6.173 0.000 7.571) 9.768 14.000 ( -0.138 0.000 -1.635) 1.640 14.431 ( -5.521 0.000 -3.633) 6.609 14.518 ( -4.357 0.000 -1.879) 4.745 14.828 ( -0.383 0.000 0.038) 0.385 15.203 ( -2.619 0.000 -9.265) 9.628 15.700 ( 3.393 0.000 -8.519) 9.170 15.804 ( -3.990 0.000 -6.207) 7.379 ======================= Grid point 169 (92/111) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 4.441 0.000 3.206) 5.478 1.976 ( -6.367 0.000 -10.400) 12.194 2.331 ( -16.255 0.000 10.597) 19.404 2.392 ( -6.269 0.000 7.038) 9.425 2.488 ( -8.954 0.000 4.557) 10.047 2.561 ( 5.042 0.000 -6.700) 8.385 2.595 ( 10.092 0.000 -10.665) 14.683 2.654 ( 7.013 0.000 -10.835) 12.906 2.909 ( -0.994 0.000 5.061) 5.158 2.971 ( 1.301 0.000 -1.542) 2.017 3.219 ( -5.427 0.000 0.812) 5.488 3.301 ( 3.179 0.000 -7.178) 7.850 3.476 ( 7.363 0.000 5.581) 9.239 3.570 ( -5.630 0.000 -2.876) 6.322 3.593 ( -6.661 0.000 -2.436) 7.092 3.613 ( 8.339 0.000 -2.852) 8.813 3.843 ( -13.405 0.000 4.297) 14.077 3.936 ( 11.095 0.000 -4.950) 12.149 4.147 ( 2.621 0.000 1.879) 3.226 4.198 ( -8.231 0.000 -2.821) 8.701 4.282 ( 4.042 0.000 3.444) 5.310 4.311 ( 0.323 0.000 -1.267) 1.308 4.368 ( -0.382 0.000 0.119) 0.400 4.430 ( 0.975 0.000 -3.559) 3.691 4.451 ( -4.002 0.000 11.663) 12.331 4.697 ( 3.425 0.000 -9.864) 10.442 4.893 ( 4.353 0.000 1.225) 4.522 4.949 ( -6.057 0.000 -2.527) 6.563 5.054 ( -1.453 0.000 6.077) 6.248 5.126 ( 1.444 0.000 -1.448) 2.045 5.196 ( 2.091 0.000 -3.607) 4.169 5.222 ( -2.450 0.000 -6.137) 6.608 5.389 ( 2.344 0.000 9.669) 9.949 5.557 ( -1.630 0.000 -6.654) 6.850 5.651 ( -5.611 0.000 5.871) 8.122 5.711 ( 5.216 0.000 -1.581) 5.450 5.845 ( -4.853 0.000 14.502) 15.292 6.067 ( 3.065 0.000 3.701) 4.805 6.086 ( 1.813 0.000 -0.934) 2.040 6.126 ( -2.170 0.000 -1.310) 2.534 6.154 ( -3.645 0.000 -6.514) 7.465 6.249 ( 2.438 0.000 -6.937) 7.353 6.670 ( -9.236 0.000 9.292) 13.101 6.693 ( 1.705 0.000 -0.411) 1.754 6.763 ( 5.828 0.000 3.706) 6.906 6.902 ( 1.374 0.000 -3.057) 3.352 6.971 ( -1.440 0.000 6.706) 6.859 7.114 ( 1.447 0.000 -6.004) 6.176 7.295 ( 5.799 0.000 -4.419) 7.290 7.316 ( -2.378 0.000 -8.148) 8.488 7.894 ( -1.389 0.000 1.267) 1.880 7.924 ( 3.336 0.000 -1.200) 3.545 8.046 ( 0.228 0.000 1.122) 1.145 8.074 ( 0.435 0.000 -1.331) 1.400 8.298 ( 0.537 0.000 1.727) 1.808 8.333 ( -0.182 0.000 -1.815) 1.824 8.491 ( -0.759 0.000 3.010) 3.104 8.562 ( 1.219 0.000 -3.989) 4.171 8.755 ( 0.331 0.000 4.168) 4.181 8.844 ( 4.561 0.000 -4.968) 6.744 9.241 ( 3.670 0.000 5.075) 6.263 9.306 ( -3.066 0.000 -0.276) 3.078 9.604 ( 0.890 0.000 7.118) 7.174 9.610 ( 5.100 0.000 7.407) 8.993 9.736 ( -1.225 0.000 1.083) 1.635 9.743 ( 5.071 0.000 5.257) 7.304 9.769 ( -0.865 0.000 -2.170) 2.336 9.815 ( -0.446 0.000 4.566) 4.588 9.879 ( -4.000 0.000 -7.734) 8.707 10.002 ( -4.731 0.000 -10.533) 11.547 10.330 ( -2.851 0.000 3.084) 4.200 10.428 ( -0.765 0.000 -6.317) 6.363 10.538 ( -1.437 0.000 1.990) 2.455 10.599 ( -0.320 0.000 -4.549) 4.560 11.146 ( 5.402 0.000 4.156) 6.816 11.172 ( -3.978 0.000 2.694) 4.805 11.361 ( -3.789 0.000 -0.443) 3.815 11.395 ( -2.896 0.000 -2.806) 4.033 11.936 ( -5.853 0.000 -0.294) 5.861 11.960 ( 3.735 0.000 -3.050) 4.822 12.540 ( 4.813 0.000 3.890) 6.188 12.569 ( -2.622 0.000 1.388) 2.967 12.597 ( 1.824 0.000 1.302) 2.241 12.619 ( -0.020 0.000 -1.748) 1.748 13.008 ( -4.730 0.000 2.195) 5.215 13.043 ( 5.027 0.000 -1.040) 5.134 13.709 ( -2.323 0.000 4.195) 4.795 13.727 ( -0.318 0.000 3.619) 3.633 13.831 ( 4.654 0.000 10.772) 11.735 13.966 ( -0.873 0.000 -4.403) 4.488 14.365 ( 1.494 0.000 -0.779) 1.685 14.411 ( -3.917 0.000 -4.447) 5.927 14.893 ( 3.552 0.000 5.362) 6.432 15.050 ( -4.132 0.000 -10.171) 10.978 15.671 ( -5.546 0.000 -2.307) 6.006 15.737 ( 7.020 0.000 -7.114) 9.994 ======================= Grid point 170 (93/111) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -5.890 0.000 -6.692) 8.915 1.887 ( -3.616 0.000 15.147) 15.573 2.141 ( -13.062 0.000 13.564) 18.831 2.342 ( -8.592 0.000 1.286) 8.688 2.482 ( 5.267 0.000 8.259) 9.795 2.565 ( 3.591 0.000 1.114) 3.760 2.700 ( 1.057 0.000 2.184) 2.426 2.757 ( 2.919 0.000 -2.078) 3.583 2.961 ( 8.897 0.000 -5.522) 10.471 2.997 ( 3.914 0.000 -4.546) 5.999 3.121 ( -4.735 0.000 3.228) 5.731 3.242 ( -5.096 0.000 -1.635) 5.352 3.381 ( -8.543 0.000 0.752) 8.576 3.561 ( 3.615 0.000 -4.774) 5.989 3.606 ( -0.294 0.000 5.256) 5.265 3.679 ( -2.049 0.000 2.124) 2.952 3.785 ( 8.795 0.000 -2.318) 9.096 3.956 ( -6.469 0.000 3.029) 7.143 4.037 ( -7.478 0.000 1.635) 7.655 4.140 ( -4.684 0.000 -1.001) 4.789 4.356 ( -1.542 0.000 5.279) 5.500 4.388 ( 12.957 0.000 -6.362) 14.435 4.440 ( 9.369 0.000 -0.055) 9.369 4.447 ( 4.485 0.000 -3.703) 5.816 4.595 ( 5.051 0.000 7.426) 8.981 4.748 ( 7.678 0.000 -6.659) 10.163 4.802 ( -5.978 0.000 -2.644) 6.537 4.952 ( 0.639 0.000 3.446) 3.505 5.023 ( -5.848 0.000 3.835) 6.993 5.087 ( -5.017 0.000 -0.202) 5.021 5.114 ( -2.808 0.000 -1.123) 3.024 5.251 ( 4.711 0.000 -0.517) 4.739 5.466 ( -0.345 0.000 -9.057) 9.064 5.514 ( 1.812 0.000 8.493) 8.684 5.587 ( -5.348 0.000 3.063) 6.163 5.807 ( 5.018 0.000 -0.666) 5.062 5.931 ( -0.240 0.000 15.241) 15.242 6.003 ( -3.488 0.000 -2.292) 4.173 6.101 ( 2.871 0.000 -6.694) 7.284 6.117 ( 0.335 0.000 1.214) 1.259 6.193 ( 6.524 0.000 -0.154) 6.526 6.262 ( 0.759 0.000 -0.935) 1.205 6.597 ( -3.400 0.000 5.537) 6.498 6.687 ( -2.900 0.000 -0.731) 2.990 6.948 ( 8.303 0.000 5.733) 10.090 6.954 ( 7.973 0.000 -5.301) 9.575 6.976 ( -2.396 0.000 2.936) 3.789 7.084 ( 0.436 0.000 -6.797) 6.811 7.234 ( 0.822 0.000 -4.587) 4.660 7.392 ( 6.964 0.000 -2.886) 7.538 7.848 ( -3.036 0.000 -0.646) 3.104 7.941 ( 0.329 0.000 -3.516) 3.531 8.049 ( -0.556 0.000 0.671) 0.872 8.066 ( 0.155 0.000 -1.705) 1.712 8.317 ( 0.341 0.000 -2.289) 2.315 8.317 ( -0.152 0.000 1.552) 1.559 8.484 ( -1.945 0.000 2.045) 2.822 8.525 ( -1.495 0.000 -4.709) 4.940 8.764 ( -1.421 0.000 0.252) 1.443 8.863 ( 3.245 0.000 -8.696) 9.282 9.162 ( -9.816 0.000 -3.714) 10.495 9.306 ( -1.452 0.000 1.730) 2.259 9.544 ( -7.955 0.000 -5.064) 9.430 9.564 ( -5.307 0.000 0.385) 5.321 9.738 ( 0.642 0.000 0.604) 0.882 9.741 ( -2.175 0.000 -5.998) 6.380 9.792 ( 1.927 0.000 -0.123) 1.931 9.884 ( 2.137 0.000 0.644) 2.232 9.937 ( 5.919 0.000 0.757) 5.968 10.018 ( 9.120 0.000 11.326) 14.541 10.350 ( 0.077 0.000 8.113) 8.114 10.389 ( 0.426 0.000 -1.390) 1.454 10.531 ( -1.807 0.000 4.758) 5.089 10.569 ( -0.394 0.000 -1.540) 1.590 11.025 ( -8.824 0.000 -0.679) 8.850 11.182 ( -3.626 0.000 -0.012) 3.626 11.390 ( 1.196 0.000 6.257) 6.370 11.430 ( 5.509 0.000 5.137) 7.533 11.848 ( -4.155 0.000 2.146) 4.676 12.026 ( 3.676 0.000 1.742) 4.068 12.490 ( -3.922 0.000 -2.297) 4.546 12.603 ( -0.152 0.000 -3.298) 3.302 12.632 ( 2.498 0.000 -1.636) 2.986 12.637 ( 2.264 0.000 -0.642) 2.353 12.896 ( -8.004 0.000 1.854) 8.216 13.069 ( -0.882 0.000 -2.409) 2.565 13.719 ( -0.323 0.000 2.573) 2.593 13.723 ( -2.006 0.000 0.910) 2.203 13.922 ( 2.445 0.000 -7.433) 7.825 14.034 ( 7.482 0.000 -0.236) 7.486 14.332 ( 0.338 0.000 3.194) 3.212 14.444 ( 4.029 0.000 3.948) 5.641 14.895 ( -3.271 0.000 -6.978) 7.706 15.026 ( 3.763 0.000 8.051) 8.887 15.572 ( -4.562 0.000 3.456) 5.723 15.832 ( 8.448 0.000 -7.126) 11.052 ======================= Grid point 171 (94/111) ======================= q-point: (-0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -1.874 0.000 -5.800) 6.095 1.993 ( -4.268 0.000 22.452) 22.854 2.060 ( -8.011 0.000 14.793) 16.823 2.160 ( -8.325 0.000 -3.690) 9.106 2.615 ( 1.213 0.000 -1.302) 1.780 2.615 ( -8.358 0.000 0.917) 8.408 2.702 ( -2.291 0.000 11.937) 12.155 2.813 ( 7.169 0.000 14.461) 16.141 3.030 ( 0.561 0.000 4.048) 4.087 3.034 ( -1.567 0.000 -0.250) 1.587 3.153 ( 8.226 0.000 -6.477) 10.470 3.235 ( 8.736 0.000 0.092) 8.736 3.346 ( 5.298 0.000 -1.542) 5.518 3.595 ( 1.597 0.000 -0.153) 1.605 3.632 ( 0.236 0.000 4.965) 4.970 3.707 ( -0.039 0.000 1.236) 1.237 3.833 ( -7.630 0.000 1.396) 7.757 3.861 ( -1.774 0.000 -1.533) 2.344 3.966 ( -4.781 0.000 10.062) 11.140 4.019 ( -1.592 0.000 -3.957) 4.265 4.388 ( 0.370 0.000 3.308) 3.328 4.440 ( -1.929 0.000 -7.734) 7.971 4.570 ( 9.093 0.000 -7.901) 12.046 4.612 ( 7.861 0.000 -1.729) 8.049 4.738 ( 5.387 0.000 0.683) 5.430 4.774 ( 7.964 0.000 -1.958) 8.201 4.817 ( 1.586 0.000 -4.590) 4.856 4.899 ( -6.372 0.000 5.397) 8.350 5.023 ( 2.133 0.000 3.863) 4.413 5.048 ( -2.155 0.000 3.039) 3.726 5.057 ( -2.055 0.000 6.733) 7.040 5.308 ( 3.944 0.000 -9.486) 10.273 5.462 ( -7.099 0.000 1.610) 7.279 5.483 ( 8.195 0.000 0.647) 8.220 5.639 ( 1.804 0.000 8.845) 9.027 5.787 ( -4.901 0.000 -3.489) 6.016 6.030 ( 5.773 0.000 0.522) 5.797 6.049 ( -1.663 0.000 14.677) 14.771 6.109 ( -1.260 0.000 -0.682) 1.433 6.134 ( 5.817 0.000 -7.125) 9.198 6.236 ( -4.115 0.000 3.071) 5.135 6.346 ( 8.317 0.000 2.036) 8.563 6.574 ( -5.451 0.000 -4.593) 7.128 6.640 ( 0.292 0.000 10.192) 10.196 6.919 ( -4.664 0.000 -0.651) 4.709 6.978 ( -0.951 0.000 -12.956) 12.991 7.086 ( 4.902 0.000 0.540) 4.932 7.163 ( 10.262 0.000 0.489) 10.274 7.313 ( 8.524 0.000 0.211) 8.526 7.507 ( 6.470 0.000 -1.397) 6.619 7.794 ( -0.831 0.000 -2.011) 2.176 7.880 ( -1.905 0.000 -6.376) 6.654 8.035 ( -1.541 0.000 0.393) 1.590 8.054 ( 0.414 0.000 -2.453) 2.488 8.302 ( -2.794 0.000 0.001) 2.794 8.305 ( 1.390 0.000 -4.215) 4.438 8.413 ( -4.143 0.000 -8.047) 9.051 8.457 ( -2.379 0.000 1.563) 2.846 8.698 ( -4.209 0.000 -2.734) 5.019 8.823 ( -0.021 0.000 -9.060) 9.060 8.916 ( -10.441 0.000 -1.691) 10.577 9.142 ( -10.870 0.000 -5.263) 12.077 9.422 ( -3.333 0.000 0.645) 3.395 9.477 ( -4.116 0.000 -0.902) 4.214 9.699 ( 1.335 0.000 -1.316) 1.874 9.762 ( 1.980 0.000 -1.160) 2.295 9.830 ( 1.686 0.000 0.691) 1.823 9.948 ( 3.570 0.000 0.300) 3.583 10.038 ( 1.887 0.000 3.339) 3.835 10.202 ( 3.885 0.000 -0.077) 3.886 10.420 ( 1.970 0.000 0.935) 2.181 10.466 ( 3.641 0.000 9.112) 9.812 10.557 ( -0.179 0.000 0.415) 0.452 10.598 ( 1.907 0.000 12.824) 12.965 10.880 ( -5.674 0.000 1.108) 5.781 11.091 ( -4.820 0.000 -0.247) 4.827 11.474 ( 1.100 0.000 8.291) 8.364 11.614 ( 6.172 0.000 9.516) 11.342 11.809 ( -2.141 0.000 3.500) 4.103 12.124 ( 2.636 0.000 5.885) 6.449 12.400 ( -3.327 0.000 -2.098) 3.933 12.540 ( -1.785 0.000 -7.568) 7.775 12.589 ( -3.474 0.000 -7.507) 8.272 12.653 ( 1.262 0.000 -4.287) 4.469 12.751 ( -7.303 0.000 0.714) 7.338 12.984 ( -5.048 0.000 -2.920) 5.831 13.681 ( -2.201 0.000 -0.246) 2.215 13.693 ( -2.166 0.000 -4.172) 4.701 13.934 ( 4.017 0.000 -5.779) 7.038 14.023 ( -1.377 0.000 -5.598) 5.764 14.541 ( 10.470 0.000 4.981) 11.594 14.561 ( 3.671 0.000 5.131) 6.310 14.873 ( 5.617 0.000 1.860) 5.917 15.160 ( 2.524 0.000 8.222) 8.600 15.571 ( -0.404 0.000 8.211) 8.221 15.923 ( 7.131 0.000 -7.853) 10.608 ======================= Grid point 172 (95/111) ======================= q-point: (-0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 3.449 0.000 -2.737) 4.403 1.923 ( -8.412 0.000 -3.928) 9.284 2.070 ( -3.914 0.000 14.197) 14.727 2.082 ( -9.315 0.000 20.174) 22.221 2.436 ( -7.049 0.000 -1.407) 7.188 2.532 ( -0.878 0.000 -9.759) 9.799 2.844 ( 4.427 0.000 8.521) 9.603 3.004 ( 1.181 0.000 0.877) 1.471 3.083 ( 5.865 0.000 4.873) 7.625 3.197 ( 9.110 0.000 10.377) 13.809 3.292 ( 8.189 0.000 3.341) 8.844 3.386 ( 3.133 0.000 3.341) 4.580 3.518 ( 10.121 0.000 -1.377) 10.215 3.593 ( -3.389 0.000 2.615) 4.280 3.605 ( -8.731 0.000 0.020) 8.731 3.691 ( -1.770 0.000 5.218) 5.510 3.757 ( 1.201 0.000 3.033) 3.262 3.774 ( -0.569 0.000 -2.368) 2.435 3.979 ( -5.533 0.000 14.055) 15.105 4.046 ( 3.963 0.000 -0.504) 3.995 4.338 ( 1.111 0.000 -9.857) 9.919 4.404 ( 1.270 0.000 -3.548) 3.768 4.563 ( -1.144 0.000 -8.227) 8.306 4.571 ( -11.370 0.000 2.235) 11.587 4.833 ( 6.942 0.000 -7.762) 10.414 4.842 ( 4.329 0.000 -0.473) 4.354 4.876 ( 3.735 0.000 -7.698) 8.556 4.923 ( 1.935 0.000 3.082) 3.639 5.055 ( 3.200 0.000 2.408) 4.004 5.115 ( 3.060 0.000 3.723) 4.819 5.120 ( -1.947 0.000 5.140) 5.496 5.307 ( 4.047 0.000 -9.069) 9.931 5.439 ( 4.544 0.000 7.049) 8.387 5.636 ( -5.111 0.000 1.227) 5.256 5.723 ( 10.336 0.000 2.197) 10.567 5.740 ( 0.978 0.000 8.394) 8.451 6.054 ( -3.697 0.000 2.319) 4.364 6.112 ( -3.548 0.000 7.739) 8.513 6.128 ( 2.672 0.000 -2.364) 3.568 6.170 ( 4.054 0.000 -5.188) 6.585 6.185 ( -4.851 0.000 8.929) 10.162 6.402 ( -2.349 0.000 -6.574) 6.981 6.589 ( 9.699 0.000 3.633) 10.357 6.723 ( -6.913 0.000 11.682) 13.574 6.809 ( -0.852 0.000 -0.724) 1.118 6.822 ( -4.185 0.000 -8.533) 9.504 7.179 ( 3.263 0.000 2.787) 4.291 7.315 ( 5.270 0.000 -2.992) 6.059 7.468 ( 6.060 0.000 -3.266) 6.884 7.588 ( 3.420 0.000 -5.667) 6.619 7.780 ( 1.546 0.000 -4.308) 4.577 7.785 ( -1.481 0.000 -6.236) 6.409 7.985 ( -3.512 0.000 -0.509) 3.549 8.030 ( -0.300 0.000 -4.259) 4.269 8.226 ( -3.425 0.000 0.638) 3.484 8.255 ( -1.272 0.000 -7.255) 7.366 8.348 ( 5.351 0.000 -4.004) 6.683 8.396 ( -3.796 0.000 -2.025) 4.302 8.598 ( -3.602 0.000 0.438) 3.629 8.662 ( -7.897 0.000 -2.605) 8.316 8.829 ( 1.154 0.000 -4.196) 4.352 8.913 ( -9.936 0.000 0.087) 9.937 9.359 ( -3.481 0.000 0.398) 3.504 9.384 ( -4.307 0.000 -0.991) 4.419 9.751 ( 2.858 0.000 1.529) 3.241 9.798 ( 2.988 0.000 -1.992) 3.591 9.861 ( 0.915 0.000 1.092) 1.424 9.972 ( -1.847 0.000 0.485) 1.910 10.103 ( 2.159 0.000 2.925) 3.635 10.222 ( 0.481 0.000 -2.390) 2.438 10.476 ( 3.382 0.000 0.995) 3.525 10.567 ( -0.382 0.000 2.447) 2.476 10.624 ( 5.986 0.000 5.303) 7.997 10.745 ( 1.408 0.000 8.773) 8.886 10.831 ( -1.357 0.000 2.947) 3.245 11.001 ( -4.126 0.000 -0.245) 4.133 11.590 ( 3.176 0.000 10.180) 10.664 11.799 ( 2.655 0.000 9.600) 9.961 11.859 ( 3.670 0.000 7.425) 8.282 12.208 ( -0.163 0.000 6.960) 6.962 12.317 ( -4.535 0.000 -0.246) 4.541 12.390 ( -7.767 0.000 -10.839) 13.335 12.415 ( -1.464 0.000 -10.622) 10.722 12.592 ( -2.331 0.000 -7.481) 7.836 12.660 ( -1.782 0.000 -0.521) 1.857 12.836 ( -7.129 0.000 -3.218) 7.822 13.616 ( -0.305 0.000 -4.631) 4.641 13.636 ( -2.655 0.000 0.476) 2.698 13.955 ( -3.250 0.000 0.055) 3.250 13.961 ( 3.366 0.000 -4.989) 6.018 14.660 ( 1.458 0.000 5.509) 5.699 14.703 ( 5.813 0.000 -0.611) 5.845 15.095 ( 9.728 0.000 4.413) 10.682 15.251 ( 0.115 0.000 6.325) 6.326 15.698 ( 6.822 0.000 5.799) 8.953 15.964 ( 4.034 0.000 -8.337) 9.262 ======================= Grid point 173 (96/111) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -6.297 3.142 2.782) 7.567 1.780 ( 2.512 4.303 1.452) 5.190 2.078 ( -3.504 -2.069 12.224) 12.884 2.160 ( -0.305 0.919 8.877) 8.929 2.296 ( 3.200 -3.845 -0.193) 5.006 2.437 ( 3.035 -2.629 -11.822) 12.485 2.983 ( -1.307 1.484 2.647) 3.304 3.049 ( 3.956 3.019 -4.658) 6.817 3.229 ( -5.200 -1.273 -0.486) 5.376 3.254 ( 0.342 -0.097 -3.200) 3.220 3.310 ( -2.792 -4.794 4.069) 6.880 3.357 ( 5.050 -6.327 0.568) 8.115 3.495 ( 4.191 -0.365 6.620) 7.844 3.554 ( 2.181 -0.313 -0.293) 2.222 3.733 ( -2.423 2.209 -0.650) 3.342 3.759 ( 2.801 1.050 1.620) 3.401 3.833 ( 1.236 3.144 2.108) 3.982 3.892 ( 3.404 -0.107 0.596) 3.457 4.054 ( 1.867 4.550 12.333) 13.278 4.213 ( 2.259 4.005 4.066) 6.138 4.288 ( -0.227 3.567 -7.223) 8.059 4.372 ( -7.255 3.787 5.266) 9.732 4.487 ( -1.182 6.103 -9.666) 11.493 4.524 ( 2.564 1.096 -5.208) 5.907 4.784 ( -5.029 -4.450 0.393) 6.727 4.807 ( -5.663 -5.657 5.828) 9.902 4.825 ( 3.710 0.700 -4.319) 5.737 4.943 ( 7.576 -3.056 -6.212) 10.263 5.068 ( 0.231 -3.107 0.670) 3.187 5.101 ( 2.465 -4.448 -2.499) 5.666 5.200 ( 1.500 1.111 0.106) 1.869 5.246 ( 1.715 -1.947 -3.741) 4.552 5.624 ( -3.293 3.457 5.338) 7.161 5.680 ( 3.387 3.813 -0.176) 5.103 5.830 ( 1.282 0.075 4.237) 4.427 5.870 ( 1.918 -2.534 0.675) 3.249 6.019 ( -3.686 -0.321 5.994) 7.044 6.060 ( -0.849 0.859 4.030) 4.207 6.090 ( -0.981 -2.638 1.798) 3.340 6.106 ( -0.510 -0.559 -0.244) 0.795 6.369 ( 2.264 4.581 -3.092) 5.973 6.379 ( -4.377 4.085 -0.049) 5.987 6.519 ( -1.610 -3.032 0.144) 3.436 6.583 ( -3.803 -3.015 -4.829) 6.847 6.900 ( 1.129 -0.163 9.678) 9.745 6.919 ( 7.563 0.431 4.731) 8.931 7.166 ( -2.174 -4.891 1.094) 5.463 7.213 ( -0.047 -4.956 -4.282) 6.550 7.478 ( -2.906 1.001 -4.624) 5.552 7.506 ( -2.515 -0.482 -6.414) 6.906 7.722 ( 0.468 -0.495 -0.691) 0.970 7.759 ( 1.479 -1.032 -4.373) 4.731 7.913 ( -2.333 -1.308 0.434) 2.710 7.939 ( -0.763 -2.779 -2.154) 3.598 8.230 ( -2.245 2.535 0.039) 3.386 8.262 ( 1.078 2.899 -2.249) 3.824 8.365 ( 1.256 -0.160 -1.392) 1.882 8.411 ( 1.317 -0.456 -5.301) 5.481 8.575 ( -3.973 2.254 1.538) 4.820 8.619 ( 4.407 1.338 -2.186) 5.098 8.809 ( -2.851 4.346 4.175) 6.667 8.899 ( 3.835 4.013 -4.616) 7.219 9.290 ( -1.101 -2.152 1.941) 3.100 9.304 ( -1.663 -1.585 0.630) 2.383 9.737 ( -2.165 -1.935 3.829) 4.806 9.808 ( 1.298 -1.206 -3.017) 3.499 9.853 ( -1.687 -4.093 1.615) 4.712 9.878 ( 1.338 -3.071 -0.824) 3.449 10.222 ( 1.033 4.834 1.724) 5.235 10.251 ( -1.183 4.147 -1.300) 4.504 10.470 ( 1.095 -5.025 1.973) 5.508 10.490 ( -0.624 -4.202 0.031) 4.248 10.816 ( 3.301 1.660 2.202) 4.301 10.838 ( 1.286 -0.428 0.399) 1.412 10.953 ( -1.756 10.373 5.049) 11.669 11.038 ( 0.171 7.911 -3.000) 8.463 11.750 ( 6.896 -3.166 10.381) 12.859 11.858 ( -5.668 -7.213 4.115) 10.054 12.002 ( 1.787 3.812 1.258) 4.394 12.043 ( 0.464 0.810 3.767) 3.881 12.246 ( 0.030 -3.294 -0.595) 3.348 12.273 ( -1.078 -0.194 -3.625) 3.787 12.375 ( -3.359 1.939 -1.205) 4.061 12.466 ( 1.332 -0.942 -6.641) 6.839 12.708 ( -4.282 3.325 1.259) 5.566 12.756 ( 1.588 6.196 -3.789) 7.434 13.228 ( -2.255 -20.938 2.603) 21.220 13.285 ( -0.139 -17.818 -3.292) 18.120 14.174 ( -4.689 15.495 6.938) 17.613 14.300 ( 3.518 14.778 -5.709) 16.228 14.720 ( -2.280 1.706 4.542) 5.361 14.785 ( 1.152 0.904 -1.193) 1.889 15.251 ( 3.883 -0.022 2.584) 4.665 15.253 ( -3.620 -0.170 2.804) 4.582 15.846 ( 7.662 -2.297 -3.723) 8.823 15.890 ( 1.226 -3.711 -8.453) 9.313 ======================= Grid point 174 (97/111) ======================= q-point: ( 0.12 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -5.091 7.367 3.352) 9.562 1.895 ( 5.654 1.158 3.347) 6.672 2.169 ( 4.053 -3.779 7.193) 9.080 2.263 ( 4.767 -1.512 3.774) 6.265 2.409 ( 8.727 -1.348 -4.982) 10.139 2.450 ( 9.206 -1.049 -9.462) 13.243 2.917 ( -7.374 0.028 2.427) 7.763 3.026 ( -11.057 -5.715 2.189) 12.638 3.071 ( -7.864 3.497 1.069) 8.673 3.092 ( 1.176 -0.750 -5.776) 5.942 3.413 ( 0.315 1.542 1.120) 1.932 3.499 ( 2.906 -1.075 -3.786) 4.892 3.548 ( 3.488 0.571 -3.711) 5.125 3.598 ( -1.412 -3.324 -1.754) 4.015 3.640 ( 0.607 -0.253 -4.772) 4.817 3.746 ( -2.998 -1.808 -5.679) 6.671 3.824 ( 0.636 -0.662 2.874) 3.017 3.933 ( 1.348 1.837 -2.530) 3.405 4.128 ( -1.720 5.006 -9.383) 10.773 4.207 ( 0.137 5.456 4.615) 7.147 4.317 ( -0.136 6.019 4.761) 7.676 4.366 ( 1.420 3.032 -5.551) 6.483 4.416 ( 3.138 4.663 7.083) 9.042 4.556 ( 1.886 -1.553 -0.789) 2.567 4.708 ( -5.072 -2.619 4.839) 7.483 4.751 ( -2.642 -7.389 2.456) 8.222 4.866 ( 0.191 6.039 -1.197) 6.159 4.970 ( 2.549 -1.431 -7.176) 7.749 5.082 ( 0.737 -7.340 -2.640) 7.835 5.105 ( 3.970 -2.872 -2.688) 5.589 5.232 ( 1.169 2.903 -0.027) 3.130 5.248 ( 1.123 1.416 -5.755) 6.032 5.574 ( -3.287 0.002 -0.518) 3.327 5.695 ( -2.132 2.235 -1.816) 3.584 5.732 ( -9.891 -3.026 -0.470) 10.354 5.806 ( -6.296 -2.057 -1.140) 6.721 5.968 ( -5.924 -0.115 6.402) 8.724 6.040 ( -4.726 0.854 3.234) 5.790 6.081 ( -0.976 0.053 1.777) 2.028 6.189 ( 4.742 0.403 1.978) 5.154 6.318 ( 1.128 -0.951 1.412) 2.042 6.371 ( -2.262 2.440 3.960) 5.172 6.569 ( 4.770 -3.884 1.921) 6.445 6.623 ( 3.805 3.760 3.697) 6.503 6.835 ( -6.507 -0.117 -6.039) 8.878 6.974 ( -2.440 -1.926 -6.806) 7.482 7.159 ( -1.232 -4.190 3.474) 5.581 7.180 ( -3.302 -5.094 -0.971) 6.148 7.433 ( -1.446 1.740 2.993) 3.752 7.474 ( 2.595 0.414 3.611) 4.466 7.722 ( 0.366 -0.948 -0.586) 1.173 7.740 ( 0.119 -0.644 -2.907) 2.980 7.907 ( 0.411 -1.464 2.699) 3.098 7.946 ( 1.141 -1.877 2.955) 3.682 8.192 ( -1.276 1.258 1.666) 2.447 8.230 ( -3.666 -0.229 1.538) 3.982 8.361 ( 3.465 2.462 -3.652) 5.604 8.414 ( 2.845 1.431 -2.310) 3.934 8.624 ( 5.053 1.376 1.161) 5.364 8.748 ( 6.171 -1.372 1.800) 6.573 8.792 ( 0.422 7.471 -1.961) 7.736 8.940 ( 4.675 1.228 -3.911) 6.218 9.293 ( 1.072 -1.320 3.096) 3.532 9.370 ( 4.340 -0.111 2.840) 5.188 9.705 ( -4.027 -2.096 3.799) 5.920 9.768 ( -2.916 0.421 -1.149) 3.162 9.829 ( -0.770 -4.369 -0.151) 4.439 9.912 ( 0.899 -4.656 -0.206) 4.747 10.204 ( -2.230 4.052 -1.678) 4.920 10.238 ( -0.921 4.414 1.716) 4.824 10.429 ( -3.450 -3.440 -0.541) 4.902 10.501 ( -0.405 -5.399 0.322) 5.424 10.784 ( -1.935 3.142 -4.625) 5.917 10.874 ( 1.757 -0.151 -2.450) 3.019 10.956 ( -1.546 7.012 1.263) 7.291 11.081 ( 4.064 7.147 0.790) 8.260 11.736 ( -3.081 -1.547 -6.004) 6.924 11.967 ( -0.202 1.383 3.216) 3.506 12.032 ( 7.373 -1.540 -0.185) 7.534 12.068 ( -2.069 -1.875 -3.858) 4.762 12.204 ( -1.418 0.118 4.120) 4.359 12.251 ( 0.280 -2.276 1.039) 2.517 12.337 ( -0.139 1.092 2.470) 2.704 12.534 ( 6.178 1.368 0.427) 6.342 12.696 ( 0.907 2.336 2.608) 3.617 12.803 ( 4.283 3.134 0.518) 5.332 13.195 ( -2.088 -18.316 3.753) 18.813 13.312 ( 2.356 -18.910 1.228) 19.096 14.141 ( -4.897 16.058 7.828) 18.524 14.312 ( 2.222 14.409 -5.579) 15.610 14.675 ( -5.976 1.173 4.135) 7.361 14.749 ( -3.752 1.346 -0.848) 4.076 15.146 ( -8.087 1.392 -0.413) 8.216 15.307 ( 1.774 -1.300 -1.619) 2.731 15.814 ( -0.964 -2.257 -9.423) 9.738 15.905 ( 3.359 -4.281 -7.613) 9.357 ======================= Grid point 175 (98/111) ======================= q-point: ( 0.25 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 1.779 10.867 5.465) 12.294 2.060 ( 8.990 -2.446 1.835) 9.496 2.312 ( 9.379 -3.350 -6.508) 11.897 2.363 ( 3.948 0.968 -5.386) 6.748 2.542 ( 11.545 -2.786 -5.302) 13.006 2.599 ( 7.545 -2.817 -5.707) 9.870 2.784 ( -8.342 0.129 8.908) 12.205 2.857 ( -9.439 -2.938 10.061) 14.105 2.947 ( -4.575 5.134 -3.948) 7.929 3.040 ( -3.527 -2.560 -5.056) 6.675 3.238 ( -10.295 -2.443 -14.277) 17.771 3.365 ( -10.430 -1.852 -1.861) 10.755 3.421 ( -2.059 3.019 -4.808) 6.039 3.640 ( 2.614 2.008 -8.154) 8.795 3.661 ( -3.613 -6.927 1.835) 8.025 3.710 ( 4.576 -0.683 -1.721) 4.937 3.905 ( 4.166 0.126 -0.995) 4.285 3.924 ( 3.337 5.477 -3.622) 7.366 4.068 ( 1.016 0.095 -6.609) 6.687 4.187 ( -0.306 7.921 -5.202) 9.482 4.277 ( -0.738 -0.446 0.289) 0.910 4.417 ( -2.805 1.625 2.812) 4.291 4.509 ( 1.145 5.355 3.070) 6.278 4.564 ( -1.586 -1.900 2.149) 3.278 4.670 ( 0.342 -5.440 -1.747) 5.724 4.714 ( -3.176 1.237 4.465) 5.618 4.858 ( -0.358 3.667 0.894) 3.791 4.984 ( 3.358 1.542 -4.501) 5.824 5.077 ( -0.569 -5.685 -0.762) 5.764 5.134 ( -0.087 -1.748 -2.253) 2.853 5.189 ( -0.538 3.895 -5.126) 6.460 5.252 ( 2.230 3.476 -3.177) 5.210 5.461 ( -6.087 -0.523 -3.007) 6.809 5.540 ( -3.455 -0.816 -3.612) 5.065 5.634 ( -4.855 -4.662 2.848) 7.308 5.742 ( 0.241 -4.519 2.450) 5.146 5.928 ( -4.635 -0.237 5.110) 6.903 5.944 ( -7.654 0.303 5.600) 9.489 6.081 ( -1.808 2.948 4.971) 6.055 6.262 ( 0.638 2.775 -0.524) 2.895 6.329 ( -0.661 -4.282 -2.959) 5.247 6.424 ( 1.728 -1.780 4.191) 4.870 6.542 ( -2.589 2.911 -6.678) 7.731 6.728 ( -4.317 -1.599 -0.560) 4.637 6.736 ( 2.544 2.627 7.073) 7.962 6.890 ( 0.829 0.245 1.541) 1.767 7.052 ( -7.712 -2.527 0.529) 8.133 7.131 ( -2.524 -5.668 -1.263) 6.332 7.385 ( -3.845 2.244 -3.724) 5.804 7.506 ( -1.675 -2.373 -3.482) 4.535 7.746 ( 2.375 -1.631 0.433) 2.913 7.758 ( 2.755 -1.204 1.040) 3.181 7.965 ( 1.946 -0.809 3.577) 4.151 8.017 ( 2.542 -1.745 1.970) 3.659 8.231 ( 1.164 1.485 4.495) 4.875 8.257 ( 4.287 0.711 7.850) 8.973 8.412 ( 4.181 4.464 -2.661) 6.670 8.501 ( 5.257 0.827 1.226) 5.461 8.696 ( 0.391 2.211 2.998) 3.746 8.754 ( -0.401 3.287 -1.807) 3.772 8.920 ( 9.733 0.600 -1.583) 9.879 9.033 ( 6.555 -2.946 1.286) 7.300 9.364 ( 2.559 0.438 3.292) 4.193 9.479 ( 3.121 2.776 3.652) 5.548 9.668 ( -2.120 -3.819 2.905) 5.246 9.705 ( -2.896 1.424 0.276) 3.239 9.800 ( -1.833 -4.114 -0.499) 4.532 9.894 ( -2.730 -4.839 0.400) 5.570 10.139 ( -2.405 3.482 -3.020) 5.199 10.219 ( -2.339 3.071 1.288) 4.069 10.364 ( -2.224 -2.492 -0.579) 3.390 10.486 ( -0.883 -4.652 0.439) 4.755 10.706 ( -0.645 3.837 -7.829) 8.743 10.848 ( -0.645 -2.221 -8.752) 9.053 10.939 ( -0.004 7.861 1.917) 8.091 11.161 ( 2.728 4.178 2.696) 5.672 11.640 ( -1.866 3.399 -7.944) 8.840 11.848 ( -8.098 3.313 -7.733) 11.677 11.932 ( -0.340 3.029 -4.301) 5.272 12.175 ( -1.247 -5.414 -5.242) 7.638 12.256 ( 5.000 -6.007 3.148) 8.426 12.308 ( 2.370 -4.339 6.279) 7.992 12.425 ( 4.259 3.616 7.804) 9.598 12.638 ( 1.478 3.917 3.454) 5.427 12.778 ( 5.933 -1.936 1.611) 6.445 12.901 ( 3.763 -1.993 2.153) 4.772 13.248 ( 2.305 -13.728 7.633) 15.875 13.379 ( 2.018 -15.461 4.893) 16.342 14.124 ( -4.393 16.171 9.268) 19.149 14.274 ( -1.068 13.319 -6.294) 14.770 14.569 ( -8.302 -0.498 4.039) 9.246 14.636 ( -6.132 -0.272 -2.618) 6.673 14.982 ( -5.260 5.907 -2.896) 8.423 15.304 ( 1.434 -0.789 -6.125) 6.340 15.705 ( -1.463 -2.567 -9.327) 9.784 15.856 ( -1.149 -5.198 -8.072) 9.669 ======================= Grid point 176 (99/111) ======================= q-point: ( 0.38 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 7.347 11.823 5.572) 14.994 2.259 ( 8.884 -5.400 0.953) 10.440 2.271 ( -2.510 5.750 -13.767) 15.129 2.432 ( 8.740 -0.159 -9.751) 13.096 2.529 ( -4.110 -2.869 -2.176) 5.465 2.702 ( -3.528 -3.971 -5.134) 7.388 2.712 ( -12.786 5.663 5.256) 14.939 2.803 ( 1.249 -0.135 -1.903) 2.280 2.827 ( -2.722 4.746 -7.824) 9.548 2.893 ( -0.782 -2.765 3.761) 4.733 3.054 ( 1.966 -9.402 -2.510) 9.928 3.238 ( -1.983 -8.043 -1.402) 8.401 3.387 ( 1.740 1.706 -0.149) 2.442 3.546 ( -1.848 -3.967 -4.408) 6.212 3.617 ( -3.137 -2.364 -2.040) 4.426 3.735 ( -1.999 -0.654 -3.372) 3.974 3.884 ( 0.252 7.108 -1.391) 7.247 3.989 ( 1.825 1.163 -4.183) 4.710 4.052 ( 1.100 -2.213 -2.895) 3.806 4.138 ( -5.349 -3.424 -0.018) 6.351 4.279 ( 6.408 6.618 -4.972) 10.468 4.350 ( -2.981 3.707 2.587) 5.414 4.540 ( 1.385 5.259 -0.435) 5.455 4.543 ( -5.425 -2.363 4.423) 7.388 4.669 ( 1.077 -6.173 -5.272) 8.188 4.691 ( -3.849 10.570 2.769) 11.585 4.846 ( 0.271 6.603 1.006) 6.685 4.974 ( -3.048 -4.318 2.100) 5.687 5.073 ( 0.449 -3.159 -3.192) 4.513 5.086 ( 0.952 -0.779 -2.917) 3.166 5.183 ( 1.755 2.860 0.411) 3.381 5.272 ( 3.312 3.988 -3.414) 6.208 5.357 ( -2.785 -0.047 0.200) 2.793 5.515 ( -4.006 -8.472 1.120) 9.438 5.606 ( 3.686 0.635 0.876) 3.841 5.770 ( -2.499 -1.310 2.000) 3.459 5.861 ( -6.359 -0.799 6.069) 8.826 5.904 ( 0.765 -2.551 6.021) 6.584 6.093 ( -1.359 3.310 4.035) 5.393 6.200 ( -3.007 1.086 -4.989) 5.925 6.255 ( -4.460 -2.263 -3.113) 5.891 6.362 ( -1.562 -0.419 -7.757) 7.923 6.586 ( 1.414 -0.354 9.571) 9.681 6.653 ( 0.183 -1.761 -2.330) 2.926 6.819 ( -2.311 3.540 1.985) 4.671 6.918 ( -3.699 0.059 3.751) 5.269 6.943 ( -1.770 -0.425 5.514) 5.807 7.088 ( 1.392 -4.445 -4.427) 6.427 7.287 ( -0.537 1.377 -5.656) 5.846 7.402 ( -3.076 -3.164 -6.740) 8.056 7.800 ( 2.485 -2.674 0.544) 3.691 7.823 ( 2.042 -2.966 1.157) 3.782 8.025 ( 1.696 -0.158 1.994) 2.623 8.057 ( 1.511 -1.075 -0.693) 1.980 8.306 ( 2.681 4.095 3.145) 5.817 8.408 ( 2.517 3.307 1.791) 4.525 8.473 ( 3.256 3.007 2.286) 4.987 8.577 ( 2.158 1.158 -1.498) 2.871 8.706 ( -1.872 1.078 5.795) 6.185 8.772 ( 4.105 -0.403 -3.107) 5.164 9.101 ( 8.187 0.725 2.946) 8.731 9.230 ( 8.575 -3.175 8.538) 12.510 9.420 ( 0.892 1.343 1.104) 1.954 9.551 ( 1.316 3.396 5.707) 6.770 9.672 ( 0.411 -2.109 -0.744) 2.274 9.683 ( -0.641 -2.414 4.461) 5.113 9.762 ( -1.372 -3.092 -0.616) 3.439 9.827 ( -4.455 -3.291 1.831) 5.833 10.049 ( -3.411 2.799 -5.788) 7.278 10.150 ( -4.255 0.053 -4.029) 5.860 10.341 ( -0.519 0.087 1.396) 1.492 10.486 ( 0.049 -3.105 1.286) 3.361 10.622 ( -0.789 3.632 -8.805) 9.558 10.710 ( -3.759 0.605 -10.220) 10.906 11.004 ( 3.667 4.215 4.078) 6.917 11.248 ( 3.361 2.200 4.619) 6.122 11.487 ( -6.273 4.858 -8.990) 11.991 11.642 ( -7.887 4.855 -2.818) 9.681 11.928 ( 3.027 1.163 -5.516) 6.399 12.053 ( -5.044 -2.081 -4.763) 7.243 12.333 ( 2.585 -5.926 3.096) 7.168 12.426 ( 2.537 -10.050 4.048) 11.128 12.564 ( 3.749 4.242 4.143) 7.015 12.661 ( -0.649 3.702 1.866) 4.196 12.911 ( 5.181 -4.256 1.196) 6.811 12.967 ( 1.266 -5.411 1.404) 5.732 13.380 ( 2.813 -8.641 10.116) 13.599 13.483 ( 3.113 -10.555 7.100) 13.096 14.104 ( -6.140 15.370 6.684) 17.850 14.192 ( -2.227 10.650 -2.007) 11.064 14.417 ( -6.386 -1.778 -3.160) 7.344 14.512 ( -3.939 -2.147 -1.566) 4.751 14.938 ( 2.002 10.558 -0.907) 10.784 15.252 ( -0.303 3.402 -9.348) 9.952 15.626 ( 1.490 -5.749 -7.428) 9.511 15.738 ( -4.244 -5.809 -6.324) 9.579 ======================= Grid point 177 (100/111) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 1.337 9.014 4.478) 10.154 2.084 ( -5.386 8.880 -9.356) 13.979 2.271 ( -12.180 -3.023 8.980) 15.431 2.434 ( -5.405 -3.777 0.125) 6.595 2.496 ( 0.722 -1.138 -5.189) 5.362 2.521 ( -5.566 5.400 3.999) 8.725 2.617 ( 8.172 0.498 -3.692) 8.981 2.724 ( 3.697 6.426 -10.361) 12.741 2.867 ( -0.483 -2.623 2.566) 3.701 2.912 ( 1.507 -4.133 -2.300) 4.964 3.161 ( -0.266 -8.002 0.108) 8.007 3.192 ( 4.782 -11.285 -1.822) 12.391 3.473 ( 5.689 0.465 0.300) 5.716 3.496 ( -4.284 -4.357 -1.210) 6.229 3.583 ( -2.172 -0.799 -1.954) 3.029 3.598 ( 0.515 -0.903 -2.852) 3.035 3.904 ( -6.697 3.759 1.306) 7.790 3.939 ( 4.342 0.682 -1.948) 4.807 4.028 ( -5.749 -2.864 2.599) 6.929 4.068 ( 2.515 -3.547 -1.593) 4.631 4.313 ( -6.361 2.701 2.688) 7.415 4.383 ( 5.915 3.187 -4.654) 8.173 4.482 ( -1.755 1.899 7.179) 7.630 4.581 ( 3.336 8.349 -0.386) 8.999 4.599 ( -3.859 10.497 -1.066) 11.234 4.639 ( 1.493 -2.855 -5.516) 6.388 4.893 ( 2.177 1.546 2.752) 3.834 4.960 ( -1.725 0.077 0.886) 1.941 5.031 ( -0.909 0.340 0.472) 1.079 5.104 ( 1.965 -4.127 -5.870) 7.440 5.233 ( 0.878 2.324 2.763) 3.716 5.275 ( -3.526 3.668 -1.521) 5.310 5.358 ( 2.417 -1.863 4.533) 5.464 5.443 ( -1.756 -7.016 -2.712) 7.724 5.683 ( 0.477 0.403 2.620) 2.693 5.717 ( -0.977 0.845 -1.014) 1.642 5.858 ( -0.914 0.865 10.623) 10.698 5.994 ( 2.007 -4.746 2.015) 5.533 6.070 ( -1.343 -1.240 -2.829) 3.368 6.111 ( -0.299 -1.865 -5.381) 5.703 6.176 ( -3.185 2.767 4.631) 6.265 6.287 ( 0.009 1.291 -4.958) 5.123 6.661 ( -3.367 0.102 6.637) 7.443 6.703 ( 1.763 0.436 1.492) 2.350 6.745 ( 2.896 -0.978 -0.046) 3.057 6.874 ( 0.731 -2.993 -5.343) 6.168 6.998 ( -0.388 2.383 5.814) 6.296 7.089 ( 1.401 -1.692 -3.268) 3.937 7.269 ( -0.113 -0.996 -2.709) 2.889 7.313 ( 2.396 -1.342 -7.490) 7.978 7.833 ( -0.575 -3.465 1.255) 3.730 7.852 ( 1.054 -4.139 -0.584) 4.311 8.059 ( 0.727 -0.237 0.255) 0.806 8.073 ( 0.963 -0.430 -1.303) 1.676 8.373 ( 2.107 6.087 1.248) 6.561 8.399 ( -1.081 5.464 -1.995) 5.916 8.529 ( -0.293 1.730 2.304) 2.896 8.581 ( 0.774 0.460 -2.993) 3.125 8.740 ( -0.074 -0.564 3.989) 4.029 8.823 ( 3.806 -2.043 -4.335) 6.120 9.267 ( 3.782 2.670 6.247) 7.776 9.355 ( -2.269 4.309 -0.993) 4.970 9.504 ( 3.935 -6.192 8.335) 11.104 9.627 ( -2.205 -2.858 -1.267) 3.826 9.665 ( 2.162 -2.662 4.236) 5.450 9.730 ( -1.368 -2.379 -1.581) 3.167 9.758 ( 4.549 0.387 6.542) 7.978 9.800 ( 0.332 -1.185 4.884) 5.036 9.909 ( -3.890 2.116 -8.024) 9.165 9.988 ( -4.500 -1.198 -10.618) 11.595 10.363 ( -0.189 3.489 5.027) 6.122 10.475 ( -1.782 1.905 -4.136) 4.890 10.541 ( -0.893 0.561 -1.264) 1.646 10.592 ( -1.465 -0.514 -4.591) 4.847 11.136 ( 4.295 2.426 7.456) 8.940 11.266 ( -7.246 -0.178 -5.979) 9.396 11.389 ( 4.099 7.647 6.640) 10.925 11.477 ( -7.224 5.105 -2.147) 9.103 11.929 ( -3.718 -0.554 -1.611) 4.090 11.942 ( 1.644 -1.290 -3.377) 3.971 12.420 ( 2.303 -7.739 3.558) 8.824 12.453 ( -0.848 -8.700 -0.208) 8.743 12.637 ( 2.157 3.344 0.869) 4.073 12.656 ( -0.354 2.745 -0.773) 2.874 12.970 ( -1.684 -4.752 1.408) 5.234 12.985 ( 1.741 -6.535 -0.021) 6.763 13.516 ( 2.496 -4.604 8.055) 9.608 13.582 ( 1.632 -7.825 2.296) 8.316 14.037 ( -4.728 10.431 6.585) 13.211 14.134 ( -0.633 6.536 -2.391) 6.988 14.365 ( 1.192 0.673 1.798) 2.259 14.439 ( -1.135 0.715 -4.402) 4.602 15.009 ( 3.484 10.724 2.149) 11.478 15.136 ( -2.080 7.100 -10.214) 12.612 15.601 ( -5.527 -6.136 -2.435) 8.610 15.649 ( 6.321 -7.734 -5.734) 11.518 ======================= Grid point 178 (101/111) ======================= q-point: (-0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -7.740 7.789 -1.180) 11.044 1.973 ( -5.229 7.154 13.535) 16.178 2.110 ( -11.426 -1.000 9.897) 15.149 2.323 ( -9.378 -1.259 6.525) 11.493 2.440 ( -1.969 -7.001 1.889) 7.514 2.580 ( 4.568 4.820 4.780) 8.182 2.736 ( -2.396 -1.671 2.024) 3.553 2.776 ( 7.305 0.330 -1.446) 7.454 2.870 ( 2.654 -2.307 -4.653) 5.832 2.950 ( 6.722 -0.959 -4.301) 8.038 3.096 ( -1.011 -3.012 -3.407) 4.659 3.282 ( 2.758 -3.684 -4.693) 6.573 3.408 ( 0.340 1.966 -1.375) 2.423 3.472 ( -3.359 -2.239 2.535) 4.767 3.593 ( 4.297 -1.097 0.713) 4.491 3.703 ( 3.447 -1.365 1.139) 3.878 3.847 ( 1.302 4.838 1.270) 5.169 3.922 ( -6.406 -1.897 3.025) 7.334 3.967 ( -2.740 -0.245 3.986) 4.843 4.127 ( 0.371 -7.559 0.052) 7.569 4.224 ( -0.924 3.604 0.355) 3.737 4.428 ( 5.113 1.738 -4.496) 7.026 4.519 ( -2.060 -1.066 2.103) 3.131 4.541 ( -0.830 4.776 4.461) 6.587 4.645 ( 3.079 -3.897 -2.583) 5.598 4.718 ( 8.253 8.775 -0.731) 12.068 4.902 ( -2.919 4.984 -1.276) 5.915 4.984 ( 2.749 1.110 -1.068) 3.151 4.992 ( -3.093 0.721 4.849) 5.797 5.079 ( 0.108 -2.986 -3.618) 4.692 5.173 ( -5.501 5.326 1.057) 7.729 5.254 ( 0.103 -1.248 0.383) 1.310 5.383 ( 0.185 -3.770 -2.162) 4.350 5.481 ( 3.772 -3.971 4.035) 6.803 5.632 ( -3.761 3.415 -1.661) 5.344 5.775 ( 3.430 -1.924 2.255) 4.533 5.923 ( -3.056 -1.267 4.746) 5.785 5.987 ( 3.192 -2.553 -4.841) 6.335 6.056 ( 0.752 -0.141 5.634) 5.686 6.140 ( 3.052 -1.024 -1.569) 3.581 6.203 ( 2.659 1.603 4.536) 5.497 6.266 ( -1.076 -0.015 0.313) 1.120 6.620 ( -0.808 2.357 0.498) 2.541 6.700 ( -2.168 1.020 -2.030) 3.140 6.893 ( 8.591 -3.565 -1.025) 9.358 6.929 ( 6.791 -2.930 1.028) 7.467 6.999 ( -1.533 1.851 0.499) 2.454 7.074 ( 0.034 -0.997 -4.540) 4.648 7.237 ( 1.435 1.028 -1.619) 2.395 7.367 ( 6.077 -2.503 -3.631) 7.509 7.804 ( -2.345 -2.557 -0.137) 3.472 7.849 ( -0.889 -5.087 -1.211) 5.304 8.059 ( -0.430 -0.449 -1.013) 1.189 8.068 ( 0.017 -0.371 -2.127) 2.159 8.363 ( -0.070 4.784 -2.927) 5.609 8.414 ( 0.789 6.623 0.936) 6.735 8.519 ( -1.549 0.993 -0.107) 1.843 8.554 ( -1.377 2.306 -2.163) 3.448 8.743 ( -1.626 -1.239 0.378) 2.079 8.839 ( 2.902 -2.433 -6.837) 7.816 9.195 ( -9.874 3.247 -5.216) 11.630 9.342 ( -1.974 3.451 2.028) 4.463 9.445 ( -8.758 -6.607 -6.222) 12.612 9.558 ( -3.814 -2.598 4.774) 6.640 9.691 ( 0.103 -1.369 -2.281) 2.663 9.744 ( 1.726 -2.318 -0.400) 2.917 9.789 ( -0.544 1.472 -5.338) 5.564 9.889 ( 1.634 -1.843 -4.774) 5.372 9.930 ( 6.366 1.030 6.301) 9.016 9.995 ( 8.430 -1.789 11.084) 14.040 10.381 ( -2.107 2.881 -0.970) 3.699 10.439 ( 1.026 2.823 5.609) 6.362 10.520 ( -1.741 -0.105 1.171) 2.101 10.576 ( 0.672 0.061 2.063) 2.170 11.075 ( -7.021 4.138 -3.132) 8.730 11.288 ( 3.044 -2.246 8.517) 9.320 11.328 ( -5.963 8.803 -0.467) 10.643 11.545 ( 4.513 5.555 8.093) 10.804 11.854 ( -3.246 0.754 1.352) 3.597 11.979 ( 2.343 -4.022 1.970) 5.054 12.386 ( -3.392 -7.102 -1.810) 8.076 12.471 ( -0.108 -10.439 -0.573) 10.455 12.631 ( -0.713 2.453 -3.025) 3.960 12.682 ( 2.341 2.994 -0.765) 3.877 12.926 ( -3.345 -1.260 0.163) 3.578 12.988 ( -1.037 -6.979 -0.894) 7.112 13.546 ( -2.376 -7.247 -5.433) 9.364 13.571 ( -1.778 -6.525 -1.388) 6.904 14.044 ( 0.094 8.634 7.155) 11.213 14.246 ( 10.016 3.076 6.226) 12.188 14.352 ( -1.055 5.631 -5.112) 7.678 14.469 ( 4.478 1.524 2.469) 5.336 14.976 ( -3.534 7.722 -4.298) 9.518 15.134 ( 4.119 8.330 0.542) 9.308 15.511 ( -3.394 -4.572 3.644) 6.760 15.749 ( 8.265 -7.585 -5.794) 12.626 ======================= Grid point 179 (102/111) ======================= q-point: (-0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -4.529 7.686 -1.290) 9.013 1.979 ( -7.922 -3.710 10.707) 13.826 2.078 ( -3.706 6.205 18.548) 19.907 2.167 ( -8.781 0.848 2.343) 9.128 2.438 ( -8.930 -10.440 10.401) 17.232 2.598 ( -1.142 -5.466 -5.066) 7.539 2.783 ( 4.659 -1.021 11.356) 12.317 2.857 ( 0.943 8.516 5.126) 9.984 2.946 ( 2.460 -6.744 4.337) 8.387 3.043 ( 6.795 -0.611 0.365) 6.832 3.078 ( 4.166 2.228 -7.316) 8.709 3.344 ( 8.803 2.301 -2.957) 9.567 3.447 ( 4.477 1.727 -3.775) 6.106 3.509 ( 2.476 1.994 3.548) 4.764 3.650 ( -0.274 -2.878 2.698) 3.954 3.741 ( 0.893 2.345 0.397) 2.541 3.777 ( -8.638 0.717 3.737) 9.439 3.918 ( -5.438 -2.797 4.581) 7.641 3.979 ( 6.835 2.732 -2.066) 7.645 4.043 ( -5.846 4.685 5.152) 9.092 4.297 ( 3.359 -4.591 -2.041) 6.044 4.512 ( 2.017 1.689 2.130) 3.385 4.519 ( 4.123 3.157 -3.398) 6.206 4.587 ( 3.924 -9.331 2.693) 10.475 4.658 ( 0.706 -2.656 -4.417) 5.202 4.822 ( 2.559 3.501 -4.278) 6.092 4.868 ( -5.542 -1.548 3.377) 6.672 4.909 ( 2.272 5.330 0.662) 5.832 5.053 ( -1.799 1.228 2.152) 3.062 5.072 ( 1.909 0.670 -0.684) 2.136 5.118 ( -1.537 4.471 4.084) 6.247 5.243 ( 0.172 -3.736 -2.245) 4.362 5.443 ( 5.564 -0.229 0.247) 5.574 5.519 ( 0.916 -0.036 -1.498) 1.756 5.622 ( 3.158 0.616 3.709) 4.910 5.780 ( -3.152 -1.804 -2.354) 4.328 5.932 ( 1.463 -2.068 5.253) 5.832 6.030 ( 3.154 -4.305 -3.196) 6.221 6.148 ( 0.751 1.441 2.237) 2.765 6.178 ( 0.781 1.379 8.014) 8.170 6.235 ( -2.135 1.777 1.756) 3.286 6.343 ( 6.774 -0.683 3.648) 7.725 6.598 ( -3.628 2.615 -4.476) 6.328 6.664 ( 2.472 1.306 2.713) 3.896 6.905 ( -5.219 -0.608 -2.016) 5.628 6.956 ( -1.117 -2.604 -8.249) 8.722 7.066 ( 3.906 -0.872 -0.256) 4.010 7.122 ( 9.015 -3.214 -1.034) 9.626 7.334 ( 8.415 2.001 0.732) 8.681 7.475 ( 7.138 -2.857 -1.317) 7.800 7.760 ( -1.074 -2.109 -1.198) 2.653 7.796 ( -2.626 -4.592 -2.621) 5.904 8.026 ( -1.309 -0.941 -2.153) 2.689 8.043 ( -0.691 -1.102 -2.200) 2.556 8.337 ( 0.716 3.963 -5.709) 6.986 8.399 ( -1.739 5.063 -2.705) 5.998 8.440 ( -3.524 1.405 -6.904) 7.878 8.513 ( -2.920 3.275 1.051) 4.512 8.691 ( -2.744 0.832 -0.737) 2.961 8.833 ( 2.550 -0.264 -6.539) 7.024 8.930 ( -11.990 1.941 -2.960) 12.502 9.121 ( -11.299 -3.161 -7.558) 13.957 9.361 ( -3.506 -1.211 3.139) 4.859 9.501 ( -5.111 -0.762 1.872) 5.496 9.684 ( 0.981 -0.238 -1.070) 1.471 9.757 ( 2.272 0.143 -2.751) 3.570 9.794 ( 1.924 -2.477 -0.425) 3.165 9.910 ( 1.769 -4.019 -1.244) 4.564 10.075 ( 4.115 3.318 3.821) 6.522 10.210 ( 5.718 -1.359 3.619) 6.902 10.346 ( -0.213 -0.296 0.489) 0.610 10.480 ( -0.492 -4.035 1.682) 4.399 10.568 ( 2.811 4.473 6.233) 8.171 10.651 ( 2.057 1.203 9.583) 9.875 10.959 ( -3.045 7.358 -0.388) 7.972 11.204 ( -4.921 5.560 -1.364) 7.549 11.434 ( 1.468 1.462 12.560) 12.730 11.693 ( 2.753 3.825 9.944) 11.004 11.832 ( -0.759 2.503 3.635) 4.478 12.059 ( 1.891 -5.804 5.717) 8.364 12.301 ( -3.579 -6.705 -2.035) 7.868 12.416 ( -2.823 -9.825 -3.868) 10.929 12.568 ( -1.602 2.362 -6.419) 7.025 12.694 ( -0.814 1.791 -2.876) 3.484 12.843 ( -2.893 2.195 -3.833) 5.280 12.936 ( -3.231 -3.589 -1.599) 5.087 13.401 ( -5.441 -12.185 -7.854) 15.484 13.480 ( -4.052 -10.713 -4.526) 12.315 14.138 ( 1.439 11.181 7.579) 13.584 14.299 ( 1.166 11.081 -6.815) 13.061 14.530 ( 10.764 0.281 5.563) 12.120 14.592 ( 5.544 1.565 3.176) 6.578 14.940 ( 3.217 6.485 0.504) 7.257 15.202 ( 1.278 1.757 3.167) 3.841 15.549 ( 2.343 0.027 7.030) 7.411 15.850 ( 7.232 -6.680 -6.675) 11.894 ======================= Grid point 180 (103/111) ======================= q-point: (-0.12 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.779 6.485 0.827) 6.584 1.890 ( -7.020 -2.273 1.973) 7.638 2.074 ( -5.211 0.009 8.606) 10.060 2.130 ( -6.455 5.056 15.688) 17.701 2.316 ( -6.539 -8.303 3.482) 11.128 2.513 ( -1.140 -3.996 -8.901) 9.823 2.924 ( 2.792 5.653 4.869) 7.966 3.020 ( 5.112 -3.791 3.451) 7.239 3.038 ( 5.961 1.315 3.581) 7.077 3.144 ( 9.631 -2.156 -1.970) 10.064 3.257 ( 7.014 -0.799 12.518) 14.371 3.448 ( -4.850 0.507 3.203) 5.834 3.483 ( -1.310 -4.834 -0.311) 5.018 3.556 ( -5.059 -0.982 -1.141) 5.278 3.600 ( 7.177 3.814 0.193) 8.130 3.735 ( 2.749 0.915 2.520) 3.841 3.766 ( 1.344 3.287 0.880) 3.658 3.852 ( -3.785 1.811 3.671) 5.575 4.013 ( -1.505 3.979 4.319) 6.062 4.112 ( 3.274 5.644 6.048) 8.897 4.305 ( 2.747 -0.837 -5.482) 6.189 4.485 ( -4.384 3.147 0.211) 5.401 4.551 ( -0.684 0.581 -1.710) 1.931 4.583 ( -2.300 0.996 -6.207) 6.694 4.762 ( 9.081 -8.123 -1.284) 12.252 4.783 ( -0.844 -3.643 0.960) 3.861 4.860 ( 1.439 -0.669 -0.391) 1.634 4.939 ( -0.631 2.879 -5.945) 6.636 5.047 ( -0.648 -4.545 1.170) 4.738 5.056 ( -0.487 -1.702 1.662) 2.429 5.158 ( 2.081 1.410 3.138) 4.021 5.250 ( 0.732 -0.929 -0.644) 1.347 5.536 ( 7.421 5.329 0.151) 9.137 5.654 ( 0.486 0.809 2.592) 2.759 5.697 ( 7.432 -1.164 1.705) 7.713 5.754 ( 1.952 0.101 4.940) 5.313 5.998 ( 1.292 -2.223 3.749) 4.546 6.042 ( -1.239 -2.316 1.541) 3.045 6.134 ( -2.705 -0.908 0.636) 2.923 6.167 ( -3.550 -0.315 1.623) 3.916 6.315 ( 3.658 5.992 4.298) 8.231 6.415 ( -1.878 1.274 -2.370) 3.281 6.575 ( 3.568 0.187 0.147) 3.576 6.736 ( -3.690 0.596 3.086) 4.847 6.795 ( 1.553 -0.931 0.166) 1.818 6.811 ( -5.475 -1.706 -3.555) 6.747 7.139 ( 2.264 -2.502 2.107) 3.978 7.233 ( 3.894 -6.029 -3.864) 8.151 7.493 ( 6.148 1.799 -2.690) 6.948 7.573 ( 3.381 -1.392 -5.123) 6.294 7.728 ( -1.081 -2.520 -1.934) 3.355 7.756 ( 2.180 -1.998 -3.366) 4.481 7.973 ( -2.179 -1.278 -2.626) 3.644 7.999 ( -1.783 -2.222 -3.084) 4.199 8.273 ( -2.312 2.888 -3.125) 4.843 8.297 ( -1.907 3.200 -6.993) 7.923 8.375 ( 1.749 1.396 -5.306) 5.759 8.424 ( -2.797 1.150 -3.083) 4.319 8.652 ( -2.207 4.902 -0.152) 5.378 8.697 ( -9.106 2.984 0.088) 9.583 8.850 ( -0.168 0.848 -0.010) 0.865 8.898 ( -4.814 -1.100 -3.547) 6.079 9.311 ( -3.193 -1.922 1.603) 4.057 9.396 ( -6.063 -1.057 0.202) 6.158 9.716 ( 1.308 -1.010 2.044) 2.629 9.789 ( 3.021 -0.325 -2.867) 4.178 9.825 ( 1.402 -3.113 0.151) 3.417 9.909 ( -1.470 -4.762 0.144) 4.986 10.167 ( 2.852 4.592 2.132) 5.811 10.268 ( 0.758 3.065 -1.317) 3.421 10.398 ( 3.082 -4.137 2.667) 5.807 10.492 ( 0.138 -4.442 1.317) 4.636 10.691 ( 5.043 3.479 4.580) 7.649 10.770 ( 1.566 -0.905 7.909) 8.113 10.945 ( 0.014 10.364 1.802) 10.520 11.104 ( -4.463 7.144 -0.775) 8.459 11.569 ( 2.580 -0.907 11.079) 11.411 11.812 ( -0.448 -0.122 12.535) 12.543 11.915 ( 3.988 4.295 7.772) 9.734 12.086 ( -3.710 -7.555 -0.349) 8.424 12.238 ( -0.799 -3.494 1.021) 3.726 12.329 ( -1.740 -4.712 -4.872) 6.998 12.472 ( -1.054 1.928 -9.385) 9.638 12.576 ( -6.189 -0.993 -4.496) 7.714 12.779 ( -0.379 7.202 -5.309) 8.955 12.832 ( -5.487 0.309 -2.255) 5.940 13.261 ( -2.855 -18.045 -3.125) 18.535 13.365 ( -3.834 -15.533 -3.671) 16.415 14.190 ( -2.469 13.808 6.765) 15.574 14.285 ( 3.093 14.095 -6.361) 15.770 14.682 ( 2.111 1.729 4.738) 5.468 14.726 ( 5.454 1.259 -0.324) 5.607 15.101 ( 8.483 1.585 3.787) 9.424 15.249 ( 0.044 -1.020 4.487) 4.602 15.694 ( 7.255 0.630 3.209) 7.958 15.904 ( 4.402 -5.331 -7.513) 10.210 ======================= Grid point 181 (104/111) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -3.866 -2.121 7.353) 8.574 1.826 ( -3.866 2.121 7.353) 8.574 2.082 ( 0.963 -4.586 2.083) 5.128 2.082 ( 0.963 4.586 2.083) 5.128 2.340 ( 2.345 -5.587 -1.419) 6.223 2.340 ( 2.345 5.587 -1.419) 6.223 3.046 ( -2.256 -3.483 0.210) 4.155 3.046 ( -2.256 3.483 0.210) 4.155 3.228 ( -0.457 -2.640 0.773) 2.788 3.228 ( -0.457 2.640 0.773) 2.788 3.279 ( 3.847 -0.808 -4.085) 5.669 3.279 ( 3.847 0.808 -4.085) 5.669 3.508 ( 2.604 -2.370 4.832) 5.979 3.508 ( 2.604 2.370 4.832) 5.979 3.756 ( -1.146 -1.098 -1.074) 1.916 3.756 ( -1.146 1.098 -1.074) 1.916 3.893 ( 2.326 -1.261 1.057) 2.849 3.893 ( 2.326 1.261 1.057) 2.849 4.179 ( 2.731 -5.617 3.704) 7.262 4.179 ( 2.731 5.617 3.704) 7.262 4.408 ( -1.959 -3.324 4.149) 5.666 4.408 ( -1.959 3.324 4.149) 5.666 4.565 ( -0.262 -2.219 -7.587) 7.909 4.565 ( -0.262 2.219 -7.587) 7.909 4.692 ( -5.610 -2.562 4.025) 7.365 4.692 ( -5.610 2.562 4.025) 7.365 4.877 ( 6.529 -2.819 -3.265) 7.826 4.877 ( 6.529 2.819 -3.265) 7.826 5.041 ( -0.467 -1.205 -1.328) 1.853 5.041 ( -0.467 1.205 -1.328) 1.853 5.211 ( 2.168 -1.025 -1.188) 2.676 5.211 ( 2.168 1.025 -1.188) 2.676 5.702 ( -2.630 -2.462 3.760) 5.207 5.702 ( -2.630 2.462 3.760) 5.207 5.829 ( 3.156 -0.799 0.908) 3.380 5.829 ( 3.156 0.799 0.908) 3.380 6.030 ( 0.179 -1.826 2.706) 3.269 6.030 ( 0.179 1.826 2.706) 3.269 6.097 ( -2.040 -1.401 1.766) 3.040 6.097 ( -2.040 1.401 1.766) 3.040 6.442 ( -2.764 -3.865 -0.811) 4.821 6.442 ( -2.764 3.865 -0.811) 4.821 6.495 ( -0.922 -4.702 -4.028) 6.260 6.495 ( -0.922 4.702 -4.028) 6.260 6.908 ( 3.639 -0.978 7.286) 8.203 6.908 ( 3.639 0.978 7.286) 8.203 7.129 ( -0.539 -1.739 -1.796) 2.557 7.129 ( -0.539 1.739 -1.796) 2.557 7.495 ( -2.756 -0.686 -4.795) 5.573 7.495 ( -2.756 0.686 -4.795) 5.573 7.731 ( 0.822 -1.217 -1.618) 2.184 7.731 ( 0.822 1.217 -1.618) 2.184 7.900 ( -1.216 -0.582 -1.708) 2.176 7.900 ( -1.216 0.582 -1.708) 2.176 8.281 ( -1.922 -1.593 0.760) 2.609 8.281 ( -1.922 1.593 0.760) 2.609 8.383 ( 2.424 -1.894 -5.612) 6.400 8.383 ( 2.424 1.894 -5.612) 6.400 8.615 ( -1.592 -1.290 0.661) 2.153 8.615 ( -1.592 1.290 0.661) 2.153 8.920 ( 2.381 -3.521 -0.877) 4.339 8.920 ( 2.381 3.521 -0.877) 4.339 9.265 ( -1.547 -0.981 1.679) 2.485 9.265 ( -1.547 0.981 1.679) 2.485 9.755 ( -1.626 -3.262 2.142) 4.228 9.755 ( -1.626 3.262 2.142) 4.228 9.820 ( 1.116 -1.669 -1.960) 2.806 9.820 ( 1.116 1.669 -1.960) 2.806 10.309 ( 0.319 -1.559 0.831) 1.795 10.309 ( 0.319 1.559 0.831) 1.795 10.411 ( -0.312 -1.655 0.817) 1.872 10.411 ( -0.312 1.655 0.817) 1.872 10.829 ( 2.410 -0.339 0.947) 2.611 10.829 ( 2.410 0.339 0.947) 2.611 11.128 ( -1.418 -2.616 1.079) 3.166 11.128 ( -1.418 2.616 1.079) 3.166 11.709 ( 1.391 -2.535 6.729) 7.324 11.709 ( 1.391 2.535 6.729) 7.324 12.086 ( 0.943 -2.310 -1.363) 2.843 12.086 ( 0.943 2.310 -1.363) 2.843 12.229 ( -1.356 -3.971 5.912) 7.250 12.229 ( -1.356 3.971 5.912) 7.250 12.419 ( 0.886 -2.788 -7.258) 7.825 12.419 ( 0.886 2.788 -7.258) 7.825 12.833 ( -2.527 -7.281 1.390) 7.832 12.833 ( -2.527 7.281 1.390) 7.832 12.982 ( -1.098 -7.743 -3.145) 8.429 12.982 ( -1.098 7.743 -3.145) 8.429 14.412 ( -1.836 -4.797 3.922) 6.462 14.412 ( -1.836 4.797 3.922) 6.462 14.770 ( 0.572 -2.441 -0.569) 2.570 14.770 ( 0.572 2.441 -0.569) 2.570 15.255 ( 0.562 -0.054 1.846) 1.931 15.255 ( 0.562 0.054 1.846) 1.931 15.824 ( 4.076 -1.212 -6.290) 7.592 15.824 ( 4.076 1.212 -6.290) 7.592 ======================= Grid point 183 (105/111) ======================= q-point: ( 0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -1.324 -8.219 6.729) 10.704 1.826 ( -1.324 8.219 6.729) 10.704 2.173 ( 7.116 -4.950 -1.324) 8.768 2.173 ( 7.116 4.950 -1.324) 8.768 2.418 ( 7.874 -1.572 -3.767) 8.870 2.418 ( 7.874 1.573 -3.767) 8.870 2.933 ( -10.348 -2.307 3.895) 11.295 2.933 ( -10.348 2.307 3.895) 11.295 3.116 ( -2.881 -1.793 -2.914) 4.473 3.116 ( -2.881 1.793 -2.914) 4.473 3.430 ( 3.296 -3.931 -2.537) 5.723 3.430 ( 3.296 3.931 -2.537) 5.723 3.565 ( 3.660 -2.328 -4.544) 6.282 3.565 ( 3.660 2.328 -4.544) 6.282 3.676 ( -3.818 -3.518 -2.683) 5.844 3.676 ( -3.818 3.518 -2.683) 5.844 3.891 ( -0.754 -4.388 0.451) 4.476 3.891 ( -0.754 4.388 0.451) 4.476 4.241 ( 1.792 -4.050 -6.838) 8.147 4.241 ( 1.792 4.050 -6.838) 8.147 4.441 ( -2.392 -3.706 7.059) 8.324 4.441 ( -2.392 3.706 7.059) 8.324 4.510 ( 3.108 -2.904 -2.208) 4.792 4.510 ( 3.108 2.904 -2.208) 4.792 4.627 ( -3.717 -1.457 4.599) 6.091 4.627 ( -3.717 1.457 4.599) 6.091 4.948 ( 0.193 -3.787 -5.253) 6.478 4.948 ( 0.193 3.787 -5.253) 6.478 5.029 ( 4.351 -4.560 -0.949) 6.373 5.029 ( 4.351 4.560 -0.949) 6.373 5.263 ( 3.975 -1.391 -3.375) 5.397 5.263 ( 3.975 1.391 -3.375) 5.397 5.623 ( -7.601 -4.703 3.196) 9.493 5.623 ( -7.601 4.703 3.196) 9.493 5.753 ( -8.177 -2.483 -2.791) 8.990 5.753 ( -8.177 2.483 -2.791) 8.990 6.007 ( -3.378 -3.025 1.097) 4.666 6.007 ( -3.378 3.025 1.097) 4.666 6.144 ( 1.882 -4.217 3.369) 5.716 6.144 ( 1.882 4.217 3.369) 5.716 6.350 ( -2.134 -3.938 4.361) 6.252 6.350 ( -2.134 3.938 4.361) 6.252 6.593 ( 5.890 -5.022 0.482) 7.756 6.593 ( 5.890 5.022 0.482) 7.756 6.896 ( -4.482 -4.927 -4.865) 8.248 6.896 ( -4.482 4.927 -4.865) 8.248 7.113 ( -2.143 -0.818 0.726) 2.406 7.113 ( -2.143 0.818 0.726) 2.406 7.466 ( 0.766 -1.183 2.884) 3.210 7.466 ( 0.766 1.183 2.884) 3.210 7.720 ( -0.069 -0.814 -1.541) 1.744 7.720 ( -0.069 0.814 -1.541) 1.744 7.903 ( 1.221 -1.302 2.393) 2.985 7.903 ( 1.221 1.302 2.393) 2.985 8.220 ( -3.429 -1.090 2.685) 4.489 8.220 ( -3.429 1.090 2.685) 4.489 8.412 ( 4.528 -1.706 -3.734) 6.112 8.412 ( 4.528 1.706 -3.734) 6.112 8.684 ( 4.443 -3.741 3.296) 6.678 8.684 ( 4.443 3.741 3.296) 6.678 8.927 ( 1.405 -3.733 -4.518) 6.027 8.927 ( 1.405 3.733 -4.518) 6.027 9.318 ( 4.285 -3.494 2.942) 6.263 9.318 ( 4.285 3.494 2.942) 6.263 9.726 ( -3.249 -3.876 2.443) 5.617 9.726 ( -3.249 3.876 2.443) 5.617 9.816 ( -0.139 -3.690 -1.415) 3.954 9.816 ( -0.139 3.690 -1.415) 3.954 10.287 ( -2.458 -1.982 -0.527) 3.201 10.287 ( -2.458 1.982 -0.527) 3.201 10.401 ( -1.237 -2.655 0.642) 2.999 10.401 ( -1.237 2.655 0.642) 2.999 10.836 ( 0.206 -2.325 -4.335) 4.923 10.836 ( 0.206 2.325 -4.335) 4.923 11.120 ( -1.044 -4.867 2.403) 5.527 11.120 ( -1.044 4.867 2.403) 5.527 11.799 ( 4.427 -8.548 -1.540) 9.748 11.799 ( 4.427 8.548 -1.540) 9.748 12.072 ( -1.220 -3.083 -2.395) 4.090 12.072 ( -1.220 3.083 -2.395) 4.090 12.226 ( -1.851 -1.024 3.909) 4.445 12.226 ( -1.851 1.024 3.909) 4.445 12.444 ( 5.450 -8.092 -2.754) 10.137 12.444 ( 5.450 8.092 -2.754) 10.137 12.803 ( -2.608 -7.209 4.073) 8.681 12.803 ( -2.608 7.209 4.073) 8.681 13.014 ( 4.060 -6.745 2.704) 8.324 13.014 ( 4.060 6.745 2.704) 8.324 14.399 ( -2.840 -6.273 4.198) 8.064 14.399 ( -2.840 6.273 4.198) 8.064 14.731 ( -4.313 -3.256 -0.956) 5.488 14.731 ( -4.313 3.256 -0.956) 5.488 15.231 ( -2.099 -5.543 -1.939) 6.236 15.231 ( -2.099 5.543 -1.939) 6.236 15.814 ( 1.030 -2.961 -7.979) 8.573 15.814 ( 1.030 2.961 -7.979) 8.573 ======================= Grid point 185 (106/111) ======================= q-point: ( 0.25 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 4.751 -11.808 5.107) 13.714 1.910 ( 4.751 11.808 5.107) 13.714 2.316 ( 9.880 -4.161 -4.202) 11.515 2.316 ( 9.880 4.161 -4.202) 11.515 2.528 ( 6.708 -3.163 -10.713) 13.030 2.528 ( 6.708 3.163 -10.713) 13.030 2.802 ( -6.775 -1.481 10.817) 12.849 2.802 ( -6.775 1.481 10.817) 12.849 3.035 ( -3.129 -0.923 -4.815) 5.817 3.035 ( -3.129 0.923 -4.815) 5.817 3.258 ( -11.107 -6.406 -8.583) 15.430 3.258 ( -11.107 6.406 -8.583) 15.430 3.502 ( -6.950 -5.212 -0.446) 8.699 3.502 ( -6.950 5.212 -0.446) 8.699 3.696 ( 4.923 -2.143 -4.053) 6.727 3.696 ( 4.923 2.143 -4.053) 6.727 3.938 ( 5.022 -2.443 -1.072) 5.687 3.938 ( 5.022 2.443 -1.072) 5.687 4.168 ( -2.457 -7.103 -5.908) 9.560 4.168 ( -2.457 7.103 -5.908) 9.560 4.414 ( 0.132 -7.511 -2.820) 8.024 4.414 ( 0.132 7.511 -2.820) 8.024 4.524 ( -2.621 -0.644 -0.510) 2.747 4.524 ( -2.621 0.644 -0.510) 2.747 4.673 ( 2.744 -7.804 4.674) 9.502 4.673 ( 2.744 7.804 4.674) 9.502 4.929 ( 1.245 -6.465 1.072) 6.670 4.929 ( 1.245 6.465 1.072) 6.670 5.076 ( 0.110 -4.402 -3.422) 5.577 5.076 ( 0.110 4.402 -3.422) 5.577 5.280 ( 1.073 -2.887 -3.555) 4.704 5.280 ( 1.073 2.887 -3.555) 4.704 5.492 ( -5.280 -2.721 -3.749) 7.024 5.492 ( -5.280 2.721 -3.749) 7.024 5.613 ( -4.364 -4.390 5.932) 8.574 5.613 ( -4.364 4.390 5.932) 8.574 5.941 ( -4.781 -1.180 2.094) 5.352 5.941 ( -4.781 1.180 2.094) 5.352 6.188 ( -0.399 -6.339 4.076) 7.547 6.188 ( -0.399 6.339 4.076) 7.547 6.356 ( -1.982 -3.758 0.202) 4.254 6.356 ( -1.982 3.758 0.202) 4.254 6.633 ( -1.350 -5.229 -2.504) 5.952 6.633 ( -1.350 5.229 -2.504) 5.952 6.846 ( 2.887 -4.686 2.188) 5.923 6.846 ( 2.887 4.686 2.188) 5.923 7.037 ( -5.623 -2.112 1.110) 6.108 7.037 ( -5.623 2.112 1.110) 6.109 7.444 ( -3.397 -3.102 -4.027) 6.114 7.444 ( -3.397 3.102 -4.027) 6.114 7.736 ( 2.174 -0.620 0.083) 2.262 7.736 ( 2.174 0.620 0.083) 2.262 7.972 ( 2.640 -1.610 2.810) 4.178 7.972 ( 2.640 1.610 2.810) 4.178 8.262 ( 3.020 -0.744 7.290) 7.926 8.262 ( 3.020 0.744 7.290) 7.926 8.487 ( 5.080 -2.315 -1.332) 5.739 8.487 ( 5.080 2.315 -1.332) 5.739 8.762 ( -0.382 -2.775 2.611) 3.829 8.762 ( -0.382 2.775 2.611) 3.829 8.959 ( 6.533 -3.143 -1.824) 7.476 8.959 ( 6.533 3.143 -1.824) 7.476 9.440 ( 5.151 -5.455 2.072) 7.784 9.440 ( 5.151 5.455 2.072) 7.784 9.675 ( -3.843 -4.306 2.497) 6.289 9.675 ( -3.843 4.306 2.497) 6.289 9.791 ( -1.787 -4.127 0.121) 4.499 9.791 ( -1.787 4.127 0.121) 4.499 10.219 ( -3.162 -3.108 -2.338) 5.012 10.219 ( -3.162 3.108 -2.338) 5.012 10.385 ( -0.667 -4.045 0.993) 4.218 10.385 ( -0.667 4.045 0.993) 4.218 10.781 ( -0.547 -3.389 -7.587) 8.328 10.781 ( -0.547 3.389 -7.587) 8.328 11.123 ( -0.359 -7.072 2.220) 7.421 11.123 ( -0.359 7.072 2.220) 7.421 11.800 ( -2.200 -8.889 -5.904) 10.896 11.800 ( -2.200 8.889 -5.904) 10.896 12.026 ( 0.576 -5.478 -4.092) 6.862 12.026 ( 0.576 5.478 -4.092) 6.862 12.228 ( -0.152 -2.208 0.878) 2.381 12.228 ( -0.152 2.208 0.878) 2.381 12.573 ( 7.148 -9.449 2.268) 12.063 12.573 ( 7.148 9.449 2.268) 12.063 12.801 ( -1.661 -6.886 4.614) 8.454 12.801 ( -1.661 6.886 4.614) 8.454 13.159 ( 5.630 -4.447 7.805) 10.601 13.159 ( 5.630 4.447 7.805) 10.601 14.380 ( -2.510 -5.796 3.824) 7.384 14.380 ( -2.510 5.796 3.824) 7.384 14.579 ( -9.889 -3.488 -1.464) 10.588 14.579 ( -9.889 3.488 -1.464) 10.588 15.185 ( 1.299 -10.205 -5.186) 11.520 15.185 ( 1.299 10.205 -5.186) 11.520 15.730 ( -2.328 -5.120 -8.154) 9.905 15.730 ( -2.328 5.120 -8.154) 9.905 ======================= Grid point 187 (107/111) ======================= q-point: ( 0.38 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 6.912 -12.299 3.855) 14.626 2.074 ( 6.912 12.299 3.855) 14.626 2.400 ( -0.464 -4.576 -8.156) 9.364 2.400 ( -0.464 4.576 -8.156) 9.364 2.536 ( 8.365 -6.604 -7.402) 12.976 2.536 ( 8.365 6.604 -7.402) 12.976 2.812 ( -6.365 -3.874 0.907) 7.506 2.812 ( -6.365 3.874 0.907) 7.506 2.875 ( -3.207 -5.872 -3.096) 7.372 2.875 ( -3.207 5.872 -3.096) 7.372 3.039 ( -5.922 -11.101 -1.575) 12.680 3.039 ( -5.922 11.101 -1.575) 12.680 3.408 ( -1.598 -3.005 2.445) 4.191 3.408 ( -1.598 3.005 2.445) 4.191 3.684 ( -1.849 -3.869 -5.223) 6.758 3.684 ( -1.849 3.869 -5.223) 6.758 3.994 ( 1.090 -3.354 -2.841) 4.528 3.994 ( 1.090 3.354 -2.840) 4.528 4.067 ( -2.746 -4.263 -3.495) 6.159 4.067 ( -2.746 4.263 -3.495) 6.159 4.420 ( 3.428 -6.944 -3.652) 8.562 4.420 ( 3.428 6.944 -3.652) 8.562 4.497 ( -0.286 -7.813 -0.085) 7.819 4.497 ( -0.286 7.813 -0.085) 7.819 4.727 ( -1.133 -7.300 4.222) 8.508 4.727 ( -1.133 7.300 4.222) 8.508 4.972 ( -0.755 -3.498 -1.895) 4.050 4.972 ( -0.755 3.498 -1.895) 4.050 5.005 ( -0.243 -4.859 0.795) 4.930 5.005 ( -0.243 4.859 0.795) 4.930 5.279 ( -0.441 -4.894 0.900) 4.996 5.279 ( -0.441 4.894 0.900) 4.996 5.385 ( -1.815 -3.137 -3.215) 4.845 5.385 ( -1.815 3.137 -3.215) 4.845 5.664 ( 2.520 -5.398 3.928) 7.136 5.664 ( 2.520 5.398 3.928) 7.136 5.872 ( -3.806 -1.027 3.811) 5.483 5.872 ( -3.806 1.027 3.811) 5.483 6.169 ( -3.694 -3.217 -1.492) 5.121 6.169 ( -3.694 3.217 -1.492) 5.121 6.292 ( -2.743 -4.621 0.306) 5.382 6.292 ( -2.743 4.621 0.306) 5.382 6.610 ( 1.189 -2.115 0.133) 2.430 6.610 ( 1.189 2.115 0.133) 2.430 6.888 ( -4.284 -2.370 -0.475) 4.919 6.888 ( -4.284 2.370 -0.475) 4.919 6.988 ( 1.974 -4.312 3.563) 5.931 6.988 ( 1.974 4.312 3.563) 5.931 7.332 ( -2.425 -2.887 -5.768) 6.891 7.332 ( -2.425 2.887 -5.768) 6.891 7.778 ( 1.597 -0.779 0.496) 1.845 7.778 ( 1.597 0.779 0.496) 1.845 8.031 ( 1.946 -0.948 0.519) 2.226 8.031 ( 1.946 0.948 0.519) 2.226 8.400 ( 4.715 -3.514 4.456) 7.378 8.400 ( 4.715 3.514 4.456) 7.378 8.552 ( 1.307 -3.367 -0.666) 3.672 8.552 ( 1.307 3.367 -0.666) 3.672 8.749 ( -0.252 -2.028 0.145) 2.048 8.749 ( -0.252 2.028 0.145) 2.048 9.143 ( 8.997 -3.482 6.608) 11.693 9.143 ( 8.997 3.482 6.608) 11.693 9.522 ( 1.718 -6.856 -0.370) 7.078 9.522 ( 1.718 6.856 -0.370) 7.078 9.643 ( -1.397 -4.022 3.903) 5.776 9.643 ( -1.397 4.022 3.903) 5.776 9.758 ( -2.091 -2.762 1.740) 3.877 9.758 ( -2.091 2.762 1.740) 3.877 10.115 ( -4.130 -2.868 -6.455) 8.183 10.115 ( -4.130 2.868 -6.455) 8.183 10.402 ( 0.808 -4.245 2.492) 4.988 10.402 ( 0.808 4.245 2.492) 4.988 10.685 ( -2.133 -2.339 -8.533) 9.101 10.685 ( -2.133 2.339 -8.533) 9.101 11.157 ( 1.746 -7.827 2.535) 8.410 11.157 ( 1.746 7.827 2.535) 8.410 11.655 ( -7.016 -5.306 -2.944) 9.276 11.655 ( -7.016 5.306 -2.944) 9.276 11.989 ( 0.282 -4.024 -7.714) 8.705 11.989 ( 0.282 4.024 -7.714) 8.705 12.265 ( 1.872 -2.039 3.408) 4.390 12.265 ( 1.872 2.039 3.408) 4.390 12.698 ( 3.426 -6.313 -0.343) 7.191 12.698 ( 3.426 6.313 -0.343) 7.191 12.819 ( -0.075 -5.069 4.650) 6.879 12.819 ( -0.075 5.069 4.650) 6.879 13.344 ( 5.189 -2.971 9.787) 11.469 13.344 ( 5.189 2.971 9.787) 11.469 14.333 ( -7.450 -6.449 -2.385) 10.138 14.333 ( -7.450 6.449 -2.385) 10.138 14.399 ( -3.606 -8.224 2.822) 9.413 14.399 ( -3.606 8.224 2.822) 9.413 15.200 ( 4.973 -10.464 -6.245) 13.161 15.200 ( 4.973 10.464 -6.245) 13.161 15.598 ( -4.312 -5.212 -6.483) 9.370 15.598 ( -4.312 5.212 -6.483) 9.370 ======================= Grid point 189 (108/111) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -6.379 -7.486 6.202) 11.627 2.141 ( -6.379 7.486 6.202) 11.627 2.308 ( -2.058 -7.806 -6.091) 10.113 2.308 ( -2.058 7.806 -6.091) 10.113 2.510 ( -2.529 -2.518 -2.105) 4.143 2.510 ( -2.529 2.518 -2.105) 4.143 2.795 ( -0.832 -8.835 2.357) 9.181 2.795 ( -0.832 8.835 2.357) 9.181 2.860 ( 4.097 -1.049 -3.685) 5.610 2.860 ( 4.097 1.049 -3.685) 5.610 2.956 ( 3.131 -5.339 -3.324) 7.025 2.956 ( 3.131 5.339 -3.324) 7.025 3.468 ( 2.222 -0.838 1.180) 2.652 3.468 ( 2.222 0.838 1.180) 2.652 3.581 ( -1.938 -0.571 -3.117) 3.715 3.581 ( -1.938 0.571 -3.117) 3.715 3.952 ( -2.721 -1.300 -0.385) 3.041 3.952 ( -2.721 1.300 -0.385) 3.041 4.026 ( 0.102 -1.062 -0.894) 1.392 4.026 ( 0.102 1.062 -0.894) 1.392 4.417 ( -6.187 -5.982 3.640) 9.344 4.417 ( -6.187 5.982 3.640) 9.344 4.493 ( 3.615 -6.375 -3.518) 8.129 4.493 ( 3.615 6.375 -3.518) 8.129 4.742 ( 0.065 -3.512 2.229) 4.160 4.742 ( 0.065 3.512 2.229) 4.160 4.945 ( 2.720 -4.211 -3.643) 6.197 4.945 ( 2.720 4.211 -3.643) 6.197 5.035 ( -0.074 -1.228 0.729) 1.430 5.035 ( -0.074 1.228 0.729) 1.430 5.257 ( -4.504 -2.787 6.407) 8.313 5.257 ( -4.504 2.787 6.407) 8.313 5.371 ( 2.440 -1.507 -4.089) 4.994 5.371 ( 2.440 1.507 -4.089) 4.994 5.701 ( 0.270 -1.675 0.219) 1.711 5.701 ( 0.270 1.675 0.219) 1.711 5.904 ( 1.554 -3.539 5.710) 6.895 5.904 ( 1.554 3.539 5.710) 6.895 6.066 ( -2.243 -1.337 -4.529) 5.228 6.066 ( -2.243 1.337 -4.529) 5.228 6.257 ( -2.779 -3.710 3.355) 5.723 6.257 ( -2.779 3.710 3.355) 5.723 6.685 ( 4.376 -1.618 2.788) 5.435 6.685 ( 4.376 1.618 2.788) 5.435 6.783 ( -1.636 -4.389 -5.684) 7.365 6.783 ( -1.636 4.389 -5.684) 7.365 7.053 ( 0.464 -2.147 2.439) 3.282 7.053 ( 0.464 2.147 2.439) 3.282 7.273 ( 0.941 -1.500 -4.339) 4.687 7.273 ( 0.941 1.500 -4.339) 4.687 7.798 ( -0.096 -0.532 0.514) 0.746 7.798 ( -0.096 0.532 0.514) 0.746 8.058 ( 1.025 -0.491 -0.921) 1.463 8.058 ( 1.025 0.491 -0.921) 1.463 8.496 ( 2.578 -2.504 0.001) 3.594 8.496 ( 2.578 2.504 0.001) 3.594 8.529 ( -1.344 -3.427 -0.615) 3.732 8.529 ( -1.344 3.427 -0.615) 3.732 8.767 ( 1.094 -2.665 -0.179) 2.887 8.767 ( 1.094 2.665 -0.179) 2.887 9.359 ( 4.567 -5.545 8.445) 11.087 9.359 ( 4.567 5.545 8.445) 11.087 9.491 ( -2.990 -6.704 -3.601) 8.176 9.491 ( -2.990 6.704 -3.601) 8.176 9.680 ( 0.800 -1.939 2.103) 2.970 9.680 ( 0.800 1.939 2.103) 2.970 9.774 ( 2.232 -1.087 5.882) 6.385 9.774 ( 2.232 1.087 5.882) 6.385 9.954 ( -4.111 -1.942 -9.735) 10.744 9.954 ( -4.111 1.942 -9.735) 10.744 10.449 ( 0.707 -3.568 3.832) 5.284 10.449 ( 0.707 3.568 3.832) 5.284 10.572 ( -2.405 -1.548 -5.622) 6.308 10.572 ( -2.405 1.548 -5.622) 6.308 11.210 ( 0.604 -3.671 1.612) 4.055 11.210 ( 0.604 3.671 1.612) 4.055 11.533 ( -4.232 -2.179 2.870) 5.558 11.533 ( -4.232 2.179 2.870) 5.558 11.924 ( -1.023 -0.572 -4.446) 4.597 11.924 ( -1.023 0.572 -4.446) 4.597 12.322 ( 0.709 -0.957 1.991) 2.320 12.322 ( 0.709 0.957 1.991) 2.320 12.711 ( 0.335 -0.486 -1.771) 1.867 12.711 ( 0.335 0.486 -1.771) 1.867 12.863 ( 0.605 -0.402 2.312) 2.423 12.863 ( 0.605 0.402 2.312) 2.423 13.498 ( 2.593 -1.365 5.877) 6.567 13.498 ( 2.593 1.365 5.877) 6.567 14.175 ( -4.755 -2.517 -0.020) 5.381 14.175 ( -4.755 2.517 -0.020) 5.381 14.409 ( 1.062 -2.864 1.679) 3.485 14.409 ( 1.062 2.864 1.679) 3.485 15.235 ( 3.082 -4.203 -7.685) 9.286 15.235 ( 3.082 4.203 -7.685) 9.286 15.492 ( -1.134 -1.677 -1.884) 2.766 15.492 ( -1.134 1.677 -1.884) 2.766 ======================= Grid point 191 (109/111) ======================= q-point: (-0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -11.287 -3.645 8.856) 14.802 2.020 ( -11.287 3.645 8.856) 14.802 2.219 ( -5.579 -9.147 10.064) 14.699 2.219 ( -5.579 9.147 10.064) 14.699 2.459 ( -5.145 -11.151 -2.927) 12.625 2.459 ( -5.145 11.151 -2.927) 12.625 2.750 ( 1.276 -3.276 1.623) 3.872 2.750 ( 1.276 3.276 1.623) 3.872 2.944 ( 4.526 -5.358 -3.146) 7.687 2.944 ( 4.526 5.358 -3.146) 7.687 3.097 ( 10.461 -10.492 -5.241) 15.715 3.097 ( 10.461 10.492 -5.241) 15.715 3.436 ( -0.374 -1.267 -0.259) 1.346 3.436 ( -0.374 1.267 -0.259) 1.346 3.641 ( 5.345 -3.865 -0.033) 6.596 3.641 ( 5.345 3.865 -0.033) 6.596 3.893 ( -5.480 -0.911 4.894) 7.404 3.893 ( -5.480 0.911 4.894) 7.404 4.042 ( 1.510 -3.062 -0.134) 3.417 4.042 ( 1.510 3.062 -0.134) 3.417 4.331 ( -4.528 -8.133 4.072) 10.160 4.331 ( -4.528 8.133 4.072) 10.160 4.531 ( 2.169 -5.693 -1.931) 6.391 4.531 ( 2.169 5.693 -1.931) 6.391 4.752 ( -0.717 -5.854 0.880) 5.963 4.752 ( -0.717 5.854 0.880) 5.963 4.983 ( 0.731 -2.605 0.814) 2.826 4.983 ( 0.731 2.605 0.814) 2.826 5.018 ( 1.114 -2.738 -3.860) 4.862 5.018 ( 1.114 2.738 -3.860) 4.862 5.226 ( -3.617 -1.404 5.147) 6.446 5.226 ( -3.617 1.404 5.147) 6.446 5.391 ( 2.962 -3.578 -2.499) 5.274 5.391 ( 2.962 3.578 -2.499) 5.274 5.712 ( 0.483 -4.041 -0.975) 4.185 5.712 ( 0.483 4.041 -0.975) 4.185 5.925 ( -0.343 -2.291 -0.517) 2.373 5.925 ( -0.343 2.291 -0.517) 2.373 6.090 ( 4.005 -2.633 3.715) 6.064 6.090 ( 4.005 2.633 3.715) 6.064 6.247 ( -1.642 -1.816 4.705) 5.304 6.247 ( -1.642 1.816 4.705) 5.304 6.689 ( 0.344 -2.941 -6.100) 6.781 6.689 ( 0.344 2.941 -6.100) 6.781 6.862 ( 7.642 -1.848 1.218) 7.956 6.862 ( 7.642 1.848 1.218) 7.956 7.042 ( -1.522 -1.948 -0.801) 2.599 7.042 ( -1.522 1.948 -0.801) 2.599 7.293 ( 3.935 -3.774 -2.219) 5.887 7.293 ( 3.935 3.774 -2.219) 5.887 7.782 ( -1.695 -0.939 -0.052) 1.939 7.782 ( -1.695 0.939 -0.052) 1.939 8.055 ( -0.153 -0.406 -1.948) 1.996 8.055 ( -0.153 0.406 -1.948) 1.996 8.475 ( -0.800 -4.530 -3.278) 5.648 8.475 ( -0.800 4.530 -3.278) 5.648 8.542 ( 0.168 -4.212 0.345) 4.230 8.542 ( 0.168 4.212 0.345) 4.230 8.767 ( 0.092 -3.481 -1.740) 3.893 8.767 ( 0.092 3.481 -1.740) 3.893 9.298 ( -9.821 -6.053 -7.518) 13.770 9.298 ( -9.821 6.053 -7.518) 13.770 9.455 ( -1.949 -5.962 5.232) 8.168 9.455 ( -1.949 5.962 5.232) 8.168 9.697 ( 1.403 -1.587 -1.584) 2.645 9.697 ( 1.403 1.587 -1.584) 2.645 9.834 ( 0.132 -2.593 -5.651) 6.219 9.834 ( 0.132 2.593 -5.651) 6.219 9.959 ( 6.986 -1.452 8.859) 11.375 9.959 ( 6.986 1.452 8.859) 11.375 10.441 ( -2.638 -2.140 -0.658) 3.460 10.441 ( -2.638 2.140 -0.658) 3.460 10.555 ( 1.395 -2.139 3.719) 4.511 10.555 ( 1.395 2.139 3.719) 4.511 11.182 ( -2.942 -5.466 -0.219) 6.211 11.182 ( -2.942 5.466 -0.219) 6.211 11.556 ( 0.407 -6.737 8.322) 10.715 11.556 ( 0.407 6.737 8.322) 10.715 11.891 ( -0.717 -3.143 1.218) 3.446 11.891 ( -0.717 3.143 1.218) 3.446 12.310 ( -2.068 -2.421 -1.073) 3.359 12.310 ( -2.068 2.421 -1.073) 3.359 12.705 ( -0.018 -2.938 -1.483) 3.291 12.705 ( -0.018 2.938 -1.483) 3.291 12.873 ( 0.014 -1.885 -0.749) 2.028 12.873 ( 0.014 1.885 -0.749) 2.028 13.498 ( -3.503 -1.287 -4.401) 5.771 13.498 ( -3.503 1.287 -4.401) 5.771 14.192 ( 2.337 -5.141 8.198) 9.955 14.192 ( 2.337 5.141 8.198) 9.955 14.465 ( 4.388 -2.620 -0.359) 5.123 14.465 ( 4.388 2.620 -0.359) 5.123 15.172 ( -2.291 -7.624 -4.943) 9.370 15.172 ( -2.291 7.624 -4.943) 9.370 15.543 ( 5.770 -9.498 -0.241) 11.116 15.543 ( 5.770 9.498 -0.241) 11.116 ======================= Grid point 193 (110/111) ======================= q-point: (-0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -8.385 -4.996 7.546) 12.337 1.891 ( -8.385 4.996 7.546) 12.337 2.231 ( -9.248 -7.802 13.868) 18.404 2.231 ( -9.248 7.802 13.868) 18.404 2.332 ( -1.259 -14.600 -0.759) 14.674 2.332 ( -1.259 14.600 -0.759) 14.674 2.839 ( 3.846 -4.430 5.444) 8.003 2.839 ( 3.846 4.430 5.444) 8.003 2.994 ( 3.333 -4.065 -0.574) 5.288 2.994 ( 3.333 4.065 -0.574) 5.288 3.212 ( 5.915 -9.593 -1.826) 11.417 3.212 ( 5.915 9.593 -1.826) 11.417 3.514 ( 7.446 -2.905 -2.387) 8.342 3.514 ( 7.446 2.905 -2.387) 8.342 3.701 ( 0.037 -5.448 -3.972) 6.743 3.701 ( 0.037 5.448 -3.972) 6.743 3.824 ( -5.807 -3.427 9.385) 11.556 3.824 ( -5.807 3.427 9.385) 11.556 4.085 ( 1.934 -5.134 1.895) 5.804 4.085 ( 1.934 5.134 1.895) 5.804 4.333 ( 1.135 -10.199 4.156) 11.072 4.333 ( 1.135 10.199 4.156) 11.072 4.557 ( 2.514 -3.818 -1.749) 4.895 4.557 ( 2.514 3.818 -1.749) 4.895 4.720 ( -2.131 -7.628 -0.834) 7.964 4.720 ( -2.131 7.628 -0.834) 7.964 4.952 ( -2.604 -5.012 -0.217) 5.652 4.952 ( -2.604 5.012 -0.217) 5.652 5.039 ( 0.161 -2.835 0.381) 2.865 5.039 ( 0.161 2.835 0.381) 2.865 5.213 ( -0.827 -2.670 2.245) 3.585 5.213 ( -0.827 2.670 2.245) 3.585 5.464 ( 6.224 -2.813 -0.546) 6.852 5.464 ( 6.224 2.813 -0.546) 6.852 5.698 ( 0.883 -4.979 -2.857) 5.808 5.698 ( 0.883 4.979 -2.857) 5.808 5.950 ( 2.160 -2.846 0.936) 3.693 5.950 ( 2.160 2.846 0.936) 3.693 6.165 ( -2.125 -0.935 5.782) 6.231 6.165 ( -2.125 0.935 5.782) 6.231 6.305 ( 3.786 -2.987 4.886) 6.865 6.305 ( 3.786 2.987 4.886) 6.865 6.661 ( 1.906 -2.101 -5.321) 6.030 6.661 ( 1.906 2.101 -5.321) 6.030 6.906 ( -3.889 -1.010 -2.654) 4.815 6.906 ( -3.889 1.010 -2.654) 4.815 7.067 ( 5.338 -1.241 -1.494) 5.681 7.067 ( 5.338 1.241 -1.494) 5.681 7.398 ( 7.974 -3.795 -0.093) 8.832 7.398 ( 7.974 3.795 -0.093) 8.832 7.740 ( -1.994 -0.639 -0.684) 2.203 7.740 ( -1.994 0.639 -0.684) 2.203 8.020 ( -1.271 -0.593 -2.607) 2.960 8.020 ( -1.271 0.593 -2.607) 2.960 8.419 ( -0.456 -2.739 -7.879) 8.354 8.419 ( -0.456 2.739 -7.879) 8.354 8.501 ( -3.966 -3.470 -1.572) 5.499 8.501 ( -3.966 3.470 -1.572) 5.499 8.774 ( 1.696 -4.902 0.355) 5.200 8.774 ( 1.696 4.902 0.355) 5.200 9.013 ( -11.527 -5.374 -6.862) 14.451 9.013 ( -11.527 5.374 -6.862) 14.451 9.421 ( -5.156 -5.245 3.576) 8.178 9.421 ( -5.156 5.245 3.576) 8.178 9.718 ( 2.405 -2.903 -1.995) 4.265 9.718 ( 2.405 2.903 -1.995) 4.265 9.816 ( 0.800 -3.913 -2.184) 4.552 9.816 ( 0.800 3.913 -2.184) 4.552 10.148 ( 5.518 -3.379 5.093) 8.234 10.148 ( 5.518 3.379 5.093) 8.234 10.398 ( -1.008 -3.601 -0.063) 3.739 10.398 ( -1.008 3.601 -0.063) 3.739 10.638 ( 2.310 -2.106 6.440) 7.158 10.638 ( 2.310 2.106 6.440) 7.158 11.141 ( -0.970 -8.097 0.369) 8.164 11.141 ( -0.970 8.097 0.369) 8.164 11.632 ( -2.100 -10.576 11.154) 15.513 11.632 ( -2.100 10.576 11.154) 15.513 11.924 ( 1.478 -6.101 5.261) 8.191 11.924 ( 1.478 6.101 5.261) 8.191 12.250 ( -2.153 -3.985 -1.787) 4.870 12.250 ( -2.153 3.985 -1.787) 4.870 12.650 ( -3.227 -4.877 -4.721) 7.516 12.650 ( -3.227 4.877 -4.721) 7.516 12.868 ( 0.909 -2.923 -2.228) 3.786 12.868 ( 0.909 2.923 -2.228) 3.786 13.325 ( -7.473 -3.291 -8.337) 11.670 13.325 ( -7.473 3.291 -8.337) 11.670 14.325 ( 2.223 -5.792 7.946) 10.081 14.325 ( 2.223 5.792 7.946) 10.081 14.587 ( 8.014 -2.603 0.078) 8.426 14.587 ( 8.014 2.603 0.078) 8.426 15.121 ( 0.002 -8.571 0.205) 8.574 15.121 ( 0.002 8.571 0.205) 8.574 15.664 ( 6.785 -9.389 -1.366) 11.664 15.664 ( 6.785 9.389 -1.366) 11.664 ======================= Grid point 195 (111/111) ======================= q-point: (-0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -4.019 -3.949 6.956) 8.952 1.835 ( -4.019 3.949 6.956) 8.952 2.118 ( -7.050 -5.371 4.469) 9.926 2.118 ( -7.050 5.371 4.469) 9.926 2.337 ( -1.339 -10.218 1.918) 10.482 2.337 ( -1.339 10.218 1.918) 10.482 3.005 ( 8.557 -2.527 1.558) 9.058 3.005 ( 8.557 2.527 1.558) 9.058 3.064 ( 2.768 -5.392 3.383) 6.941 3.064 ( 2.768 5.392 3.383) 6.941 3.325 ( 2.976 -6.129 5.688) 8.875 3.325 ( 2.976 6.129 5.688) 8.875 3.513 ( -6.653 -3.071 -2.622) 7.783 3.513 ( -6.653 3.071 -2.622) 7.783 3.697 ( 6.931 -3.555 -2.420) 8.157 3.697 ( 6.931 3.555 -2.420) 8.157 3.840 ( -0.868 -2.673 5.336) 6.031 3.840 ( -0.868 2.673 5.336) 6.031 4.130 ( 0.527 -5.781 3.142) 6.601 4.130 ( 0.527 5.781 3.142) 6.601 4.401 ( 1.000 -9.874 2.546) 10.246 4.401 ( 1.000 9.874 2.546) 10.246 4.601 ( 0.736 -5.073 1.519) 5.347 4.601 ( 0.736 5.073 1.519) 5.347 4.683 ( 2.703 -6.218 -5.235) 8.566 4.683 ( 2.703 6.218 -5.235) 8.566 4.896 ( -4.025 -4.213 0.306) 5.835 4.896 ( -4.025 4.213 0.306) 5.835 5.025 ( 0.566 -2.787 -0.468) 2.882 5.025 ( 0.566 2.787 -0.468) 2.882 5.213 ( -1.155 -3.196 1.115) 3.577 5.213 ( -1.155 3.196 1.115) 3.577 5.621 ( 8.452 -2.802 1.141) 8.977 5.621 ( 8.452 2.802 1.141) 8.977 5.726 ( 2.914 -2.477 1.068) 3.971 5.726 ( 2.914 2.477 1.068) 3.971 5.999 ( 1.534 -1.570 1.245) 2.524 5.999 ( 1.534 1.570 1.245) 2.524 6.140 ( -4.068 -1.497 4.227) 6.055 6.140 ( -4.068 1.497 4.227) 6.055 6.401 ( 2.165 -2.764 1.758) 3.927 6.401 ( 2.165 2.764 1.758) 3.927 6.663 ( -1.169 -6.595 -5.722) 8.810 6.663 ( -1.169 6.595 -5.722) 8.810 6.789 ( -2.085 -0.852 2.578) 3.423 6.789 ( -2.085 0.852 2.578) 3.423 7.131 ( 2.079 -2.432 -1.134) 3.394 7.131 ( 2.079 2.432 -1.134) 3.394 7.535 ( 4.669 -2.016 -3.427) 6.132 7.535 ( 4.669 2.016 -3.427) 6.132 7.716 ( 1.017 -1.158 -1.209) 1.958 7.716 ( 1.017 1.158 -1.209) 1.958 7.963 ( -2.088 -0.723 -3.301) 3.973 7.963 ( -2.088 0.723 -3.301) 3.973 8.320 ( -2.221 -1.258 -5.731) 6.274 8.320 ( -2.221 1.258 -5.731) 6.274 8.413 ( -1.000 -1.887 -4.875) 5.322 8.413 ( -1.000 1.887 -4.875) 5.322 8.739 ( -8.425 -1.290 -1.626) 8.677 8.739 ( -8.425 1.290 -1.626) 8.677 8.862 ( 2.135 -1.988 0.913) 3.057 8.862 ( 2.135 1.988 0.913) 3.057 9.332 ( -5.656 -3.616 1.519) 6.882 9.332 ( -5.656 3.616 1.519) 6.882 9.749 ( 1.226 -3.446 0.073) 3.658 9.749 ( 1.226 3.446 0.073) 3.658 9.815 ( 0.689 -3.116 -1.366) 3.471 9.815 ( 0.689 3.116 -1.366) 3.471 10.261 ( 3.154 -3.740 2.178) 5.355 10.261 ( 3.154 3.740 2.178) 5.355 10.400 ( 0.466 -3.870 0.795) 3.978 10.400 ( 0.466 3.870 0.795) 3.978 10.743 ( 3.151 -1.624 4.992) 6.122 10.743 ( 3.151 1.624 4.992) 6.122 11.140 ( -0.133 -5.561 0.369) 5.575 11.140 ( -0.133 5.561 0.369) 5.575 11.660 ( -3.895 -10.048 10.999) 15.399 11.660 ( -3.895 10.048 10.999) 15.399 12.027 ( 3.489 -4.647 4.996) 7.663 12.027 ( 3.489 4.647 4.996) 7.663 12.213 ( -1.117 -4.289 1.054) 4.556 12.213 ( -1.117 4.289 1.054) 4.556 12.520 ( -3.532 -3.020 -8.013) 9.263 12.520 ( -3.532 3.020 -8.013) 9.263 12.861 ( 0.083 -1.346 -2.097) 2.493 12.861 ( 0.083 1.346 -2.097) 2.493 13.110 ( -7.123 -5.887 -6.344) 11.209 13.110 ( -7.123 5.887 -6.344) 11.209 14.396 ( -0.023 -3.833 4.514) 5.922 14.396 ( -0.023 3.833 4.514) 5.922 14.723 ( 4.675 -1.674 0.292) 4.974 14.723 ( 4.675 1.674 0.292) 4.974 15.180 ( 3.721 -4.867 3.059) 6.848 15.180 ( 3.721 4.867 3.059) 6.848 15.768 ( 5.863 -6.147 -3.567) 9.213 15.768 ( 5.863 6.147 -3.567) 9.213 =================== 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 3/27648 10.0 1747.289 1399.692 1500.698 0.000 -222.867 0.000 3/27648 20.0 182.915 137.087 182.582 0.000 -10.532 0.000 3/27648 30.0 57.329 39.144 56.037 0.000 -2.901 0.000 3/27648 40.0 28.631 18.619 27.544 0.000 -1.189 0.000 3/27648 50.0 17.896 11.345 17.072 0.000 -0.626 0.000 3/27648 60.0 12.661 7.923 12.031 0.000 -0.393 0.000 3/27648 70.0 9.660 6.007 9.167 0.000 -0.277 0.000 3/27648 80.0 7.748 4.804 7.354 0.000 -0.209 0.000 3/27648 90.0 6.438 3.989 6.118 0.000 -0.166 0.000 3/27648 100.0 5.492 3.405 5.228 0.000 -0.136 0.000 3/27648 110.0 4.782 2.968 4.561 0.000 -0.114 0.000 3/27648 120.0 4.231 2.631 4.044 0.000 -0.097 0.000 3/27648 130.0 3.793 2.363 3.633 0.000 -0.084 0.000 3/27648 140.0 3.437 2.146 3.299 0.000 -0.074 0.000 3/27648 150.0 3.143 1.967 3.023 0.000 -0.065 0.000 3/27648 160.0 2.896 1.817 2.791 0.000 -0.058 0.000 3/27648 170.0 2.686 1.689 2.593 0.000 -0.052 0.000 3/27648 180.0 2.505 1.578 2.422 0.000 -0.047 0.000 3/27648 190.0 2.347 1.482 2.273 0.000 -0.043 0.000 3/27648 200.0 2.209 1.398 2.143 0.000 -0.040 0.000 3/27648 210.0 2.086 1.323 2.027 0.000 -0.036 0.000 3/27648 220.0 1.977 1.256 1.923 0.000 -0.034 0.000 3/27648 230.0 1.880 1.196 1.830 0.000 -0.031 0.000 3/27648 240.0 1.791 1.142 1.746 0.000 -0.029 0.000 3/27648 250.0 1.711 1.093 1.670 0.000 -0.028 0.000 3/27648 260.0 1.638 1.048 1.600 0.000 -0.026 0.000 3/27648 270.0 1.571 1.007 1.536 0.000 -0.024 0.000 3/27648 280.0 1.510 0.969 1.478 0.000 -0.023 0.000 3/27648 290.0 1.453 0.933 1.423 0.000 -0.022 0.000 3/27648 300.0 1.401 0.901 1.373 0.000 -0.021 0.000 3/27648 310.0 1.352 0.870 1.326 0.000 -0.020 0.000 3/27648 320.0 1.307 0.842 1.283 0.000 -0.019 0.000 3/27648 330.0 1.265 0.816 1.242 0.000 -0.018 0.000 3/27648 340.0 1.225 0.791 1.204 0.000 -0.018 0.000 3/27648 350.0 1.188 0.768 1.168 0.000 -0.017 0.000 3/27648 360.0 1.153 0.746 1.134 0.000 -0.016 0.000 3/27648 370.0 1.120 0.725 1.102 0.000 -0.016 0.000 3/27648 380.0 1.089 0.706 1.072 0.000 -0.015 0.000 3/27648 390.0 1.060 0.687 1.044 0.000 -0.015 0.000 3/27648 400.0 1.032 0.670 1.017 0.000 -0.014 0.000 3/27648 410.0 1.006 0.653 0.992 0.000 -0.014 0.000 3/27648 420.0 0.981 0.637 0.967 0.000 -0.013 0.000 3/27648 430.0 0.957 0.622 0.944 0.000 -0.013 0.000 3/27648 440.0 0.935 0.608 0.922 0.000 -0.012 0.000 3/27648 450.0 0.913 0.594 0.901 0.000 -0.012 0.000 3/27648 460.0 0.893 0.581 0.881 0.000 -0.012 0.000 3/27648 470.0 0.873 0.569 0.862 0.000 -0.012 0.000 3/27648 480.0 0.855 0.557 0.844 0.000 -0.011 0.000 3/27648 490.0 0.837 0.545 0.826 0.000 -0.011 0.000 3/27648 500.0 0.819 0.534 0.809 0.000 -0.011 0.000 3/27648 510.0 0.803 0.524 0.793 0.000 -0.010 0.000 3/27648 520.0 0.787 0.513 0.778 0.000 -0.010 0.000 3/27648 530.0 0.772 0.504 0.763 0.000 -0.010 0.000 3/27648 540.0 0.757 0.494 0.749 0.000 -0.010 0.000 3/27648 550.0 0.743 0.485 0.735 0.000 -0.010 0.000 3/27648 560.0 0.730 0.476 0.721 0.000 -0.009 0.000 3/27648 570.0 0.716 0.468 0.709 0.000 -0.009 0.000 3/27648 580.0 0.704 0.460 0.696 0.000 -0.009 0.000 3/27648 590.0 0.692 0.452 0.684 0.000 -0.009 0.000 3/27648 600.0 0.680 0.445 0.673 0.000 -0.009 0.000 3/27648 610.0 0.669 0.437 0.662 0.000 -0.008 0.000 3/27648 620.0 0.658 0.430 0.651 0.000 -0.008 0.000 3/27648 630.0 0.647 0.423 0.640 0.000 -0.008 0.000 3/27648 640.0 0.637 0.417 0.630 0.000 -0.008 0.000 3/27648 650.0 0.627 0.410 0.621 0.000 -0.008 0.000 3/27648 660.0 0.617 0.404 0.611 0.000 -0.008 0.000 3/27648 670.0 0.608 0.398 0.602 0.000 -0.008 0.000 3/27648 680.0 0.599 0.392 0.593 0.000 -0.007 0.000 3/27648 690.0 0.590 0.386 0.584 0.000 -0.007 0.000 3/27648 700.0 0.581 0.381 0.576 0.000 -0.007 0.000 3/27648 710.0 0.573 0.375 0.568 0.000 -0.007 0.000 3/27648 720.0 0.565 0.370 0.560 0.000 -0.007 0.000 3/27648 730.0 0.557 0.365 0.552 0.000 -0.007 0.000 3/27648 740.0 0.550 0.360 0.545 0.000 -0.007 0.000 3/27648 750.0 0.542 0.355 0.537 0.000 -0.007 0.000 3/27648 760.0 0.535 0.351 0.530 0.000 -0.007 0.000 3/27648 770.0 0.528 0.346 0.523 0.000 -0.007 0.000 3/27648 780.0 0.521 0.342 0.516 0.000 -0.006 0.000 3/27648 790.0 0.514 0.337 0.510 0.000 -0.006 0.000 3/27648 800.0 0.508 0.333 0.503 0.000 -0.006 0.000 3/27648 810.0 0.502 0.329 0.497 0.000 -0.006 0.000 3/27648 820.0 0.495 0.325 0.491 0.000 -0.006 0.000 3/27648 830.0 0.489 0.321 0.485 0.000 -0.006 0.000 3/27648 840.0 0.483 0.317 0.479 0.000 -0.006 0.000 3/27648 850.0 0.478 0.314 0.474 0.000 -0.006 0.000 3/27648 860.0 0.472 0.310 0.468 0.000 -0.006 0.000 3/27648 870.0 0.467 0.306 0.463 0.000 -0.006 0.000 3/27648 880.0 0.461 0.303 0.457 0.000 -0.006 0.000 3/27648 890.0 0.456 0.299 0.452 0.000 -0.006 0.000 3/27648 900.0 0.451 0.296 0.447 0.000 -0.006 0.000 3/27648 910.0 0.446 0.293 0.442 0.000 -0.005 0.000 3/27648 920.0 0.441 0.290 0.438 0.000 -0.005 0.000 3/27648 930.0 0.436 0.287 0.433 0.000 -0.005 0.000 3/27648 940.0 0.432 0.284 0.428 0.000 -0.005 0.000 3/27648 950.0 0.427 0.281 0.424 0.000 -0.005 0.000 3/27648 960.0 0.423 0.278 0.419 0.000 -0.005 0.000 3/27648 970.0 0.418 0.275 0.415 0.000 -0.005 0.000 3/27648 980.0 0.414 0.272 0.411 0.000 -0.005 0.000 3/27648 990.0 0.410 0.269 0.406 0.000 -0.005 0.000 3/27648 1000.0 0.406 0.267 0.402 0.000 -0.005 0.000 3/27648 Thermal conductivity related properties were written into "kappa-m849.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:41:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|